USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HEMFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD Set 1.1: A 46 TYR OH : rot 19:sc= 1.18 USER MOD Set 1.2: A 79 LYS NZ :NH3+ -147:sc= 1.21 (180deg=0.498) USER MOD Set 1.3: A 104 HEM CMD :methyl -30:sc= -1.02 (180deg=-3.4!) USER MOD Set 2.1: A 67 TYR OH : rot -125:sc= 0.608 USER MOD Set 2.2: A 78 THR OG1 : rot 170:sc= -0.0034 USER MOD Set 3.1: A 55 LYS NZ :NH3+ 170:sc= -0.0198 (180deg=-0.577) USER MOD Set 3.2: A 63 ASN : amide:sc= 2.06 K(o=3.7,f=-1.2) USER MOD Set 3.3: A 74 TYR OH : rot -113:sc= 1.66 USER MOD Set 4.1: A 40 SER OG : rot 88:sc= 1.5 USER MOD Set 4.2: A 52 ASN : amide:sc= 1.68 K(o=3.2,f=-8.5!) USER MOD Set 5.1: A 19 THR OG1 : rot -104:sc= 1.43 USER MOD Set 5.2: A 31 ASN : amide:sc= 2.61 K(o=4,f=-4.7!) USER MOD Set 6.1: A -2 LYS NZ :NH3+ 169:sc= 1.52 (180deg=1.16) USER MOD Set 6.2: A 92 ASN : amide:sc= 1.68 K(o=3.2,f=-2.2) USER MOD Single : A 2 SER OG : rot -121:sc= 0.321 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= 1.23 (180deg=1.02) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A -5 THR N :NH3+ -175:sc= 0 (180deg=-0.0262) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -78:sc= 1.1 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0951 K(o=-0.095,f=-1.9) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.04 (180deg=0.901) USER MOD Single : A 33 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-5.1!) USER MOD Single : A 39 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 42 GLN : amide:sc= 0.949 K(o=0.95,f=-1.9!) USER MOD Single : A 47 SER OG : rot 58:sc= 0.137 USER MOD Single : A 48 TYR OH : rot -27:sc= 2.61 USER MOD Single : A 49 THR OG1 : rot -105:sc= 2.31 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.11) USER MOD Single : A 56 ASN : amide:sc= -0.524 K(o=-0.52,f=-3.3!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 64 MET CE :methyl 178:sc= -0.526 (180deg=-0.54) USER MOD Single : A 65 SER OG : rot 74:sc= 1.15 USER MOD Single : A 69 THR OG1 : rot 69:sc= 0.778 USER MOD Single : A 70 ASN : amide:sc= 0.923 K(o=0.92,f=-3.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.13) USER MOD Single : A 87 LYS NZ :NH3+ -122:sc= 1.11 (180deg=0.281) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -40:sc= -0.0891 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 0.841 (180deg=-1.05!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -49:sc= 0.937 USER MOD Single : A 104 HEM CMA :methyl 150:sc= -0.0915 (180deg=-0.0915) USER MOD Single : A 104 HEM CMB :methyl 150:sc= -0.606 (180deg=-0.606) USER MOD Single : A 104 HEM CMC :methyl -30:sc= -0.699 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -1.579 -11.099 -16.809 1.00 0.00 N ATOM 2 CA THR A -5 -0.136 -10.879 -16.633 1.00 0.00 C ATOM 3 C THR A -5 0.176 -9.403 -16.881 1.00 0.00 C ATOM 4 O THR A -5 0.788 -8.798 -16.000 1.00 0.00 O ATOM 5 CB THR A -5 0.573 -11.888 -17.560 1.00 0.00 C ATOM 6 OG1 THR A -5 1.809 -12.223 -16.948 1.00 0.00 O ATOM 7 CG2 THR A -5 0.804 -11.452 -19.010 1.00 0.00 C ATOM 0 H1 THR A -5 -1.813 -12.081 -16.560 1.00 0.00 H new ATOM 0 H2 THR A -5 -2.107 -10.450 -16.192 1.00 0.00 H new ATOM 0 H3 THR A -5 -1.839 -10.922 -17.800 1.00 0.00 H new ATOM 0 HA THR A -5 0.228 -11.064 -15.622 1.00 0.00 H new ATOM 0 HB THR A -5 -0.105 -12.735 -17.663 1.00 0.00 H new ATOM 0 HG1 THR A -5 2.289 -12.867 -17.510 1.00 0.00 H new ATOM 0 HG21 THR A -5 1.310 -12.250 -19.554 1.00 0.00 H new ATOM 0 HG22 THR A -5 -0.155 -11.241 -19.484 1.00 0.00 H new ATOM 0 HG23 THR A -5 1.422 -10.554 -19.026 1.00 0.00 H new ATOM 8 N GLU A -4 -0.283 -8.814 -17.987 1.00 0.00 N ATOM 9 CA GLU A -4 -0.033 -7.414 -18.284 1.00 0.00 C ATOM 10 C GLU A -4 -0.795 -6.517 -17.304 1.00 0.00 C ATOM 11 O GLU A -4 -2.018 -6.397 -17.395 1.00 0.00 O ATOM 12 CB GLU A -4 -0.452 -7.114 -19.732 1.00 0.00 C ATOM 13 CG GLU A -4 0.287 -7.966 -20.778 1.00 0.00 C ATOM 14 CD GLU A -4 1.786 -7.693 -20.845 1.00 0.00 C ATOM 15 OE1 GLU A -4 2.211 -6.657 -20.291 1.00 0.00 O ATOM 16 OE2 GLU A -4 2.477 -8.539 -21.450 1.00 0.00 O ATOM 0 H GLU A -4 -0.836 -9.297 -18.695 1.00 0.00 H new ATOM 0 HA GLU A -4 1.032 -7.208 -18.173 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -1.524 -7.281 -19.833 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -0.272 -6.060 -19.942 1.00 0.00 H new ATOM 0 HG2 GLU A -4 0.129 -9.020 -20.552 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -0.151 -7.781 -21.759 1.00 0.00 H new ATOM 17 N PHE A -3 -0.084 -5.859 -16.382 1.00 0.00 N ATOM 18 CA PHE A -3 -0.667 -4.769 -15.610 1.00 0.00 C ATOM 19 C PHE A -3 -0.944 -3.608 -16.565 1.00 0.00 C ATOM 20 O PHE A -3 -0.112 -2.722 -16.748 1.00 0.00 O ATOM 21 CB PHE A -3 0.233 -4.348 -14.435 1.00 0.00 C ATOM 22 CG PHE A -3 -0.245 -3.101 -13.698 1.00 0.00 C ATOM 23 CD1 PHE A -3 -1.439 -3.113 -12.950 1.00 0.00 C ATOM 24 CD2 PHE A -3 0.457 -1.890 -13.851 1.00 0.00 C ATOM 25 CE1 PHE A -3 -1.949 -1.915 -12.411 1.00 0.00 C ATOM 26 CE2 PHE A -3 -0.042 -0.699 -13.300 1.00 0.00 C ATOM 27 CZ PHE A -3 -1.267 -0.703 -12.616 1.00 0.00 C ATOM 0 H PHE A -3 0.889 -6.064 -16.157 1.00 0.00 H new ATOM 0 HA PHE A -3 -1.601 -5.100 -15.156 1.00 0.00 H new ATOM 0 HB2 PHE A -3 0.296 -5.174 -13.726 1.00 0.00 H new ATOM 0 HB3 PHE A -3 1.241 -4.171 -14.809 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -1.965 -4.043 -12.789 1.00 0.00 H new ATOM 0 HD2 PHE A -3 1.388 -1.877 -14.398 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -2.865 -1.928 -11.839 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.517 0.220 -13.403 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.685 0.222 -12.248 1.00 0.00 H new ATOM 28 N LYS A -2 -2.126 -3.623 -17.183 1.00 0.00 N ATOM 29 CA LYS A -2 -2.704 -2.429 -17.777 1.00 0.00 C ATOM 30 C LYS A -2 -2.635 -1.300 -16.740 1.00 0.00 C ATOM 31 O LYS A -2 -3.200 -1.441 -15.660 1.00 0.00 O ATOM 32 CB LYS A -2 -4.153 -2.699 -18.222 1.00 0.00 C ATOM 33 CG LYS A -2 -4.991 -3.474 -17.187 1.00 0.00 C ATOM 34 CD LYS A -2 -6.475 -3.110 -17.311 1.00 0.00 C ATOM 35 CE LYS A -2 -7.288 -3.774 -16.187 1.00 0.00 C ATOM 36 NZ LYS A -2 -8.582 -3.097 -15.991 1.00 0.00 N ATOM 0 H LYS A -2 -2.702 -4.459 -17.283 1.00 0.00 H new ATOM 0 HA LYS A -2 -2.146 -2.137 -18.667 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -4.642 -1.747 -18.431 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -4.137 -3.261 -19.156 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -4.861 -4.546 -17.335 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -4.638 -3.246 -16.181 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -6.595 -2.028 -17.264 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -6.855 -3.431 -18.281 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -7.457 -4.823 -16.429 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -6.717 -3.749 -15.259 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -9.182 -3.670 -15.365 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -8.424 -2.164 -15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -9.054 -2.978 -16.910 1.00 0.00 H new ATOM 37 N ALA A -1 -1.941 -0.204 -17.041 1.00 0.00 N ATOM 38 CA ALA A -1 -1.726 0.893 -16.105 1.00 0.00 C ATOM 39 C ALA A -1 -2.717 2.022 -16.383 1.00 0.00 C ATOM 40 O ALA A -1 -3.020 2.294 -17.544 1.00 0.00 O ATOM 41 CB ALA A -1 -0.279 1.370 -16.250 1.00 0.00 C ATOM 0 H ALA A -1 -1.508 -0.053 -17.952 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.893 0.560 -15.080 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -0.096 2.192 -15.558 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.400 0.547 -16.024 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.109 1.711 -17.271 1.00 0.00 H new ATOM 42 N GLY A 1 -3.224 2.679 -15.332 1.00 0.00 N ATOM 43 CA GLY A 1 -4.019 3.892 -15.476 1.00 0.00 C ATOM 44 C GLY A 1 -3.098 5.112 -15.529 1.00 0.00 C ATOM 45 O GLY A 1 -1.906 4.964 -15.797 1.00 0.00 O ATOM 0 H GLY A 1 -3.092 2.382 -14.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.619 3.839 -16.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.713 3.985 -14.640 1.00 0.00 H new ATOM 46 N SER A 2 -3.641 6.306 -15.279 1.00 0.00 N ATOM 47 CA SER A 2 -2.934 7.579 -15.346 1.00 0.00 C ATOM 48 C SER A 2 -2.091 7.818 -14.086 1.00 0.00 C ATOM 49 O SER A 2 -1.791 6.902 -13.329 1.00 0.00 O ATOM 50 CB SER A 2 -3.969 8.700 -15.540 1.00 0.00 C ATOM 51 OG SER A 2 -3.361 9.943 -15.865 1.00 0.00 O ATOM 0 H SER A 2 -4.621 6.412 -15.015 1.00 0.00 H new ATOM 0 HA SER A 2 -2.242 7.566 -16.188 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.662 8.419 -16.333 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.556 8.812 -14.628 1.00 0.00 H new ATOM 0 HG SER A 2 -3.607 10.613 -15.193 1.00 0.00 H new ATOM 52 N ALA A 3 -1.694 9.075 -13.886 1.00 0.00 N ATOM 53 CA ALA A 3 -1.030 9.574 -12.688 1.00 0.00 C ATOM 54 C ALA A 3 -1.954 10.569 -11.986 1.00 0.00 C ATOM 55 O ALA A 3 -2.227 10.459 -10.788 1.00 0.00 O ATOM 56 CB ALA A 3 0.296 10.234 -13.076 1.00 0.00 C ATOM 0 H ALA A 3 -1.834 9.803 -14.587 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.815 8.753 -12.004 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.793 10.607 -12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.937 9.502 -13.568 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.104 11.063 -13.757 1.00 0.00 H new ATOM 57 N LYS A 4 -2.445 11.558 -12.743 1.00 0.00 N ATOM 58 CA LYS A 4 -3.527 12.391 -12.255 1.00 0.00 C ATOM 59 C LYS A 4 -4.774 11.517 -12.157 1.00 0.00 C ATOM 60 O LYS A 4 -5.023 10.713 -13.047 1.00 0.00 O ATOM 61 CB LYS A 4 -3.824 13.574 -13.177 1.00 0.00 C ATOM 62 CG LYS A 4 -2.601 14.428 -13.533 1.00 0.00 C ATOM 63 CD LYS A 4 -3.066 15.636 -14.363 1.00 0.00 C ATOM 64 CE LYS A 4 -1.887 16.541 -14.749 1.00 0.00 C ATOM 65 NZ LYS A 4 -2.326 17.720 -15.528 1.00 0.00 N ATOM 0 H LYS A 4 -2.111 11.791 -13.678 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.234 12.803 -11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.268 13.197 -14.098 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.569 14.211 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.098 14.764 -12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.879 13.837 -14.097 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.569 15.287 -15.265 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.796 16.211 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.374 16.873 -13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.166 15.968 -15.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.500 18.304 -15.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.793 17.404 -16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.994 18.281 -14.962 1.00 0.00 H new ATOM 66 N LYS A 5 -5.526 11.722 -11.080 1.00 0.00 N ATOM 67 CA LYS A 5 -6.593 10.892 -10.541 1.00 0.00 C ATOM 68 C LYS A 5 -5.977 9.998 -9.469 1.00 0.00 C ATOM 69 O LYS A 5 -6.329 10.119 -8.299 1.00 0.00 O ATOM 70 CB LYS A 5 -7.385 10.110 -11.601 1.00 0.00 C ATOM 71 CG LYS A 5 -8.588 9.425 -10.947 1.00 0.00 C ATOM 72 CD LYS A 5 -9.310 8.502 -11.933 1.00 0.00 C ATOM 73 CE LYS A 5 -10.364 7.711 -11.147 1.00 0.00 C ATOM 74 NZ LYS A 5 -11.021 6.666 -11.952 1.00 0.00 N ATOM 0 H LYS A 5 -5.388 12.556 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.356 11.535 -10.102 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.722 10.785 -12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.743 9.366 -12.073 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.255 8.849 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.282 10.180 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.781 9.083 -12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.602 7.825 -12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.892 7.250 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.120 8.400 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.365 5.910 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.823 7.079 -12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.339 6.270 -12.630 1.00 0.00 H new ATOM 75 N GLY A 6 -5.030 9.140 -9.842 1.00 0.00 N ATOM 76 CA GLY A 6 -4.310 8.282 -8.915 1.00 0.00 C ATOM 77 C GLY A 6 -3.751 9.084 -7.738 1.00 0.00 C ATOM 78 O GLY A 6 -3.902 8.693 -6.580 1.00 0.00 O ATOM 0 H GLY A 6 -4.740 9.023 -10.813 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.976 7.503 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.495 7.782 -9.437 1.00 0.00 H new ATOM 79 N ALA A 7 -3.159 10.245 -8.033 1.00 0.00 N ATOM 80 CA ALA A 7 -2.699 11.188 -7.022 1.00 0.00 C ATOM 81 C ALA A 7 -3.829 11.562 -6.057 1.00 0.00 C ATOM 82 O ALA A 7 -3.658 11.546 -4.839 1.00 0.00 O ATOM 83 CB ALA A 7 -2.147 12.440 -7.710 1.00 0.00 C ATOM 0 H ALA A 7 -2.986 10.555 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.910 10.716 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.802 13.147 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.314 12.163 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.932 12.902 -8.309 1.00 0.00 H new ATOM 84 N THR A 8 -4.988 11.912 -6.608 1.00 0.00 N ATOM 85 CA THR A 8 -6.147 12.347 -5.852 1.00 0.00 C ATOM 86 C THR A 8 -6.661 11.201 -4.979 1.00 0.00 C ATOM 87 O THR A 8 -7.011 11.400 -3.818 1.00 0.00 O ATOM 88 CB THR A 8 -7.205 12.825 -6.855 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.580 13.595 -7.868 1.00 0.00 O ATOM 90 CG2 THR A 8 -8.293 13.658 -6.172 1.00 0.00 C ATOM 0 H THR A 8 -5.146 11.899 -7.616 1.00 0.00 H new ATOM 0 HA THR A 8 -5.895 13.167 -5.180 1.00 0.00 H new ATOM 0 HB THR A 8 -7.680 11.947 -7.291 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.254 13.900 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.025 13.979 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.788 13.055 -5.411 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.842 14.533 -5.705 1.00 0.00 H new ATOM 91 N LEU A 9 -6.693 9.986 -5.528 1.00 0.00 N ATOM 92 CA LEU A 9 -7.091 8.784 -4.827 1.00 0.00 C ATOM 93 C LEU A 9 -6.165 8.588 -3.631 1.00 0.00 C ATOM 94 O LEU A 9 -6.628 8.506 -2.494 1.00 0.00 O ATOM 95 CB LEU A 9 -7.017 7.604 -5.804 1.00 0.00 C ATOM 96 CG LEU A 9 -8.372 7.130 -6.348 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.218 6.449 -5.265 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.158 8.259 -7.024 1.00 0.00 C ATOM 0 H LEU A 9 -6.434 9.816 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.113 8.858 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.383 7.886 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.530 6.767 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.147 6.387 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.168 6.129 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.684 5.581 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.404 7.152 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.108 7.871 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.345 9.055 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.580 8.655 -7.859 1.00 0.00 H new ATOM 99 N PHE A 10 -4.853 8.562 -3.891 1.00 0.00 N ATOM 100 CA PHE A 10 -3.848 8.482 -2.844 1.00 0.00 C ATOM 101 C PHE A 10 -4.158 9.509 -1.756 1.00 0.00 C ATOM 102 O PHE A 10 -4.311 9.156 -0.587 1.00 0.00 O ATOM 103 CB PHE A 10 -2.443 8.675 -3.425 1.00 0.00 C ATOM 104 CG PHE A 10 -1.348 8.558 -2.385 1.00 0.00 C ATOM 105 CD1 PHE A 10 -0.906 7.284 -1.987 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.886 9.701 -1.704 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.083 7.145 -0.856 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.046 9.561 -0.586 1.00 0.00 C ATOM 109 CZ PHE A 10 0.311 8.281 -0.131 1.00 0.00 C ATOM 0 H PHE A 10 -4.466 8.596 -4.834 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.874 7.490 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.274 7.934 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.383 9.655 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.199 6.411 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.177 10.685 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.246 6.165 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.325 10.438 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.888 8.171 0.775 1.00 0.00 H new ATOM 110 N LYS A 11 -4.305 10.774 -2.160 1.00 0.00 N ATOM 111 CA LYS A 11 -4.569 11.865 -1.234 1.00 0.00 C ATOM 112 C LYS A 11 -5.846 11.650 -0.417 1.00 0.00 C ATOM 113 O LYS A 11 -5.867 11.957 0.772 1.00 0.00 O ATOM 114 CB LYS A 11 -4.606 13.199 -1.987 1.00 0.00 C ATOM 115 CG LYS A 11 -3.182 13.650 -2.330 1.00 0.00 C ATOM 116 CD LYS A 11 -3.213 14.968 -3.110 1.00 0.00 C ATOM 117 CE LYS A 11 -1.778 15.479 -3.296 1.00 0.00 C ATOM 118 NZ LYS A 11 -1.734 16.766 -4.022 1.00 0.00 N ATOM 0 H LYS A 11 -4.244 11.064 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.750 11.889 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.192 13.094 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.099 13.956 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.603 13.775 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.683 12.882 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.687 14.819 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.808 15.707 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.307 15.598 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.197 14.736 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.746 17.073 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.160 16.648 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.266 17.484 -3.489 1.00 0.00 H new ATOM 119 N THR A 12 -6.915 11.153 -1.039 1.00 0.00 N ATOM 120 CA THR A 12 -8.202 11.027 -0.367 1.00 0.00 C ATOM 121 C THR A 12 -8.316 9.739 0.451 1.00 0.00 C ATOM 122 O THR A 12 -9.280 9.603 1.203 1.00 0.00 O ATOM 123 CB THR A 12 -9.356 11.167 -1.373 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.177 10.311 -2.479 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.475 12.611 -1.873 1.00 0.00 C ATOM 0 H THR A 12 -6.912 10.832 -2.007 1.00 0.00 H new ATOM 0 HA THR A 12 -8.273 11.846 0.349 1.00 0.00 H new ATOM 0 HB THR A 12 -10.271 10.888 -0.851 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.520 10.702 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.299 12.683 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.665 13.274 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.546 12.904 -2.363 1.00 0.00 H new ATOM 126 N ARG A 13 -7.382 8.786 0.311 1.00 0.00 N ATOM 127 CA ARG A 13 -7.510 7.482 0.953 1.00 0.00 C ATOM 128 C ARG A 13 -6.234 7.034 1.650 1.00 0.00 C ATOM 129 O ARG A 13 -6.259 6.707 2.832 1.00 0.00 O ATOM 130 CB ARG A 13 -7.954 6.433 -0.073 1.00 0.00 C ATOM 131 CG ARG A 13 -9.344 6.774 -0.629 1.00 0.00 C ATOM 132 CD ARG A 13 -10.059 5.527 -1.173 1.00 0.00 C ATOM 133 NE ARG A 13 -11.428 5.390 -0.644 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.743 5.132 0.638 1.00 0.00 C ATOM 135 NH1 ARG A 13 -10.775 5.038 1.556 1.00 0.00 N ATOM 136 NH2 ARG A 13 -13.022 4.972 0.995 1.00 0.00 N ATOM 0 H ARG A 13 -6.533 8.900 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.269 7.583 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.232 6.386 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.974 5.447 0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.949 7.227 0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.247 7.514 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.096 5.578 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.482 4.639 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.199 5.500 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.800 5.162 1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.012 4.842 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.760 5.046 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.259 4.776 1.968 1.00 0.00 H new ATOM 137 N CYS A 14 -5.131 6.936 0.915 1.00 0.00 N ATOM 138 CA CYS A 14 -3.932 6.281 1.414 1.00 0.00 C ATOM 139 C CYS A 14 -3.190 7.248 2.336 1.00 0.00 C ATOM 140 O CYS A 14 -2.789 6.883 3.443 1.00 0.00 O ATOM 141 CB CYS A 14 -3.067 5.833 0.267 1.00 0.00 C ATOM 142 SG CYS A 14 -3.944 4.976 -1.077 1.00 0.00 S ATOM 0 H CYS A 14 -5.045 7.304 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.200 5.391 1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.562 6.705 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.293 5.171 0.654 1.00 0.00 H new ATOM 143 N LEU A 15 -3.057 8.503 1.888 1.00 0.00 N ATOM 144 CA LEU A 15 -2.406 9.597 2.604 1.00 0.00 C ATOM 145 C LEU A 15 -2.889 9.688 4.051 1.00 0.00 C ATOM 146 O LEU A 15 -2.102 10.027 4.934 1.00 0.00 O ATOM 147 CB LEU A 15 -2.697 10.901 1.850 1.00 0.00 C ATOM 148 CG LEU A 15 -2.093 12.181 2.448 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.787 12.544 1.742 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.086 13.344 2.339 1.00 0.00 C ATOM 0 H LEU A 15 -3.417 8.791 0.978 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.332 9.416 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.332 10.795 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.778 11.028 1.790 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.880 11.995 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.377 13.453 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.072 11.730 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.980 12.708 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.642 14.243 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.325 13.521 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.998 13.096 2.882 1.00 0.00 H new ATOM 151 N GLN A 16 -4.169 9.385 4.296 1.00 0.00 N ATOM 152 CA GLN A 16 -4.747 9.270 5.629 1.00 0.00 C ATOM 153 C GLN A 16 -3.763 8.594 6.590 1.00 0.00 C ATOM 154 O GLN A 16 -3.456 9.128 7.655 1.00 0.00 O ATOM 155 CB GLN A 16 -6.049 8.458 5.526 1.00 0.00 C ATOM 156 CG GLN A 16 -6.813 8.376 6.854 1.00 0.00 C ATOM 157 CD GLN A 16 -8.060 7.497 6.760 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.359 6.907 5.725 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.813 7.397 7.851 1.00 0.00 N ATOM 0 H GLN A 16 -4.843 9.210 3.551 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.961 10.263 6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.693 8.909 4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.815 7.449 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.152 7.982 7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.103 9.380 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.548 7.895 8.701 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.656 6.823 7.838 1.00 0.00 H new ATOM 160 N CYS A 17 -3.278 7.416 6.196 1.00 0.00 N ATOM 161 CA CYS A 17 -2.566 6.493 7.066 1.00 0.00 C ATOM 162 C CYS A 17 -1.085 6.399 6.712 1.00 0.00 C ATOM 163 O CYS A 17 -0.263 6.127 7.590 1.00 0.00 O ATOM 164 CB CYS A 17 -3.205 5.139 6.949 1.00 0.00 C ATOM 165 SG CYS A 17 -4.818 5.139 7.787 1.00 0.00 S ATOM 0 H CYS A 17 -3.374 7.074 5.240 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.629 6.863 8.089 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.332 4.877 5.899 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.556 4.382 7.390 1.00 0.00 H new ATOM 166 N HIS A 18 -0.766 6.590 5.430 1.00 0.00 N ATOM 167 CA HIS A 18 0.554 6.411 4.845 1.00 0.00 C ATOM 168 C HIS A 18 1.214 7.736 4.472 1.00 0.00 C ATOM 169 O HIS A 18 0.625 8.813 4.590 1.00 0.00 O ATOM 170 CB HIS A 18 0.403 5.559 3.579 1.00 0.00 C ATOM 171 CG HIS A 18 0.119 4.122 3.882 1.00 0.00 C ATOM 172 ND1 HIS A 18 1.085 3.166 4.051 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.096 3.496 3.853 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.475 1.979 4.105 1.00 0.00 C ATOM 175 NE2 HIS A 18 -0.852 2.125 3.993 1.00 0.00 N ATOM 0 H HIS A 18 -1.458 6.888 4.743 1.00 0.00 H new ATOM 0 HA HIS A 18 1.190 5.928 5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.404 5.964 2.968 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.316 5.628 2.988 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.089 3.331 4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.061 3.969 3.743 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.981 1.032 4.223 1.00 0.00 H new ATOM 176 N THR A 19 2.445 7.605 3.976 1.00 0.00 N ATOM 177 CA THR A 19 3.147 8.583 3.171 1.00 0.00 C ATOM 178 C THR A 19 3.789 7.841 1.989 1.00 0.00 C ATOM 179 O THR A 19 4.064 6.642 2.085 1.00 0.00 O ATOM 180 CB THR A 19 4.191 9.324 4.017 1.00 0.00 C ATOM 181 OG1 THR A 19 4.983 8.436 4.796 1.00 0.00 O ATOM 182 CG2 THR A 19 3.532 10.355 4.934 1.00 0.00 C ATOM 0 H THR A 19 3.002 6.766 4.139 1.00 0.00 H new ATOM 0 HA THR A 19 2.460 9.340 2.793 1.00 0.00 H new ATOM 0 HB THR A 19 4.846 9.836 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.693 8.473 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.298 10.863 5.520 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.992 11.086 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.835 9.852 5.605 1.00 0.00 H new ATOM 183 N VAL A 20 3.977 8.542 0.872 1.00 0.00 N ATOM 184 CA VAL A 20 4.633 8.075 -0.348 1.00 0.00 C ATOM 185 C VAL A 20 5.940 8.840 -0.614 1.00 0.00 C ATOM 186 O VAL A 20 6.826 8.344 -1.306 1.00 0.00 O ATOM 187 CB VAL A 20 3.630 8.194 -1.507 1.00 0.00 C ATOM 188 CG1 VAL A 20 3.315 9.644 -1.900 1.00 0.00 C ATOM 189 CG2 VAL A 20 4.073 7.401 -2.743 1.00 0.00 C ATOM 0 H VAL A 20 3.657 9.507 0.790 1.00 0.00 H new ATOM 0 HA VAL A 20 4.926 7.031 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 20 2.709 7.756 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.601 9.651 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.888 10.168 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.232 10.144 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.332 7.516 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.036 7.776 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.166 6.346 -2.484 1.00 0.00 H new ATOM 190 N GLU A 21 6.062 10.058 -0.086 1.00 0.00 N ATOM 191 CA GLU A 21 7.211 10.925 -0.223 1.00 0.00 C ATOM 192 C GLU A 21 8.413 10.354 0.538 1.00 0.00 C ATOM 193 O GLU A 21 8.263 9.732 1.595 1.00 0.00 O ATOM 194 CB GLU A 21 6.822 12.333 0.265 1.00 0.00 C ATOM 195 CG GLU A 21 6.061 12.356 1.607 1.00 0.00 C ATOM 196 CD GLU A 21 4.539 12.291 1.468 1.00 0.00 C ATOM 197 OE1 GLU A 21 4.033 11.152 1.329 1.00 0.00 O ATOM 198 OE2 GLU A 21 3.908 13.365 1.497 1.00 0.00 O ATOM 0 H GLU A 21 5.321 10.478 0.475 1.00 0.00 H new ATOM 0 HA GLU A 21 7.514 10.992 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.727 12.932 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.205 12.810 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.395 11.515 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.327 13.265 2.146 1.00 0.00 H new ATOM 199 N LYS A 22 9.622 10.570 0.005 1.00 0.00 N ATOM 200 CA LYS A 22 10.847 10.193 0.663 1.00 0.00 C ATOM 201 C LYS A 22 10.940 10.892 2.018 1.00 0.00 C ATOM 202 O LYS A 22 10.838 12.114 2.090 1.00 0.00 O ATOM 203 CB LYS A 22 12.021 10.580 -0.238 1.00 0.00 C ATOM 204 CG LYS A 22 12.097 9.675 -1.461 1.00 0.00 C ATOM 205 CD LYS A 22 13.519 9.431 -1.981 1.00 0.00 C ATOM 206 CE LYS A 22 14.183 10.706 -2.512 1.00 0.00 C ATOM 207 NZ LYS A 22 15.515 10.420 -3.086 1.00 0.00 N ATOM 0 H LYS A 22 9.762 11.015 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 22 10.871 9.117 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.913 11.617 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.952 10.514 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.643 8.715 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.501 10.115 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.129 9.016 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.488 8.685 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.547 11.160 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.281 11.431 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.939 11.303 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.128 10.009 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.417 9.747 -3.873 1.00 0.00 H new ATOM 208 N GLY A 23 11.131 10.115 3.084 1.00 0.00 N ATOM 209 CA GLY A 23 11.259 10.644 4.433 1.00 0.00 C ATOM 210 C GLY A 23 9.908 10.854 5.118 1.00 0.00 C ATOM 211 O GLY A 23 9.878 11.254 6.281 1.00 0.00 O ATOM 0 H GLY A 23 11.201 9.099 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.862 9.960 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.794 11.593 4.397 1.00 0.00 H new ATOM 212 N GLY A 24 8.788 10.572 4.444 1.00 0.00 N ATOM 213 CA GLY A 24 7.498 10.606 5.112 1.00 0.00 C ATOM 214 C GLY A 24 7.453 9.535 6.213 1.00 0.00 C ATOM 215 O GLY A 24 7.970 8.440 6.003 1.00 0.00 O ATOM 0 H GLY A 24 8.755 10.323 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.328 11.592 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.700 10.432 4.390 1.00 0.00 H new ATOM 216 N PRO A 25 6.883 9.820 7.395 1.00 0.00 N ATOM 217 CA PRO A 25 6.893 8.883 8.509 1.00 0.00 C ATOM 218 C PRO A 25 5.888 7.732 8.336 1.00 0.00 C ATOM 219 O PRO A 25 4.892 7.847 7.614 1.00 0.00 O ATOM 220 CB PRO A 25 6.589 9.727 9.751 1.00 0.00 C ATOM 221 CG PRO A 25 5.783 10.903 9.198 1.00 0.00 C ATOM 222 CD PRO A 25 6.401 11.124 7.819 1.00 0.00 C ATOM 0 HA PRO A 25 7.858 8.382 8.584 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.020 9.163 10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.503 10.063 10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.721 10.668 9.131 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.875 11.788 9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.665 11.517 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.215 11.847 7.865 1.00 0.00 H new ATOM 223 N HIS A 26 6.144 6.631 9.057 1.00 0.00 N ATOM 224 CA HIS A 26 5.289 5.449 9.120 1.00 0.00 C ATOM 225 C HIS A 26 4.125 5.725 10.081 1.00 0.00 C ATOM 226 O HIS A 26 4.059 5.134 11.155 1.00 0.00 O ATOM 227 CB HIS A 26 6.102 4.213 9.568 1.00 0.00 C ATOM 228 CG HIS A 26 7.395 3.982 8.823 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.624 3.042 7.842 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.587 4.612 9.069 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.908 3.157 7.462 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.536 4.095 8.186 1.00 0.00 N ATOM 0 H HIS A 26 6.983 6.541 9.630 1.00 0.00 H new ATOM 0 HA HIS A 26 4.888 5.234 8.129 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.327 4.313 10.630 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.476 3.328 9.457 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.761 5.374 9.814 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.371 2.573 6.680 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.514 4.375 8.107 1.00 0.00 H new ATOM 233 N LYS A 27 3.244 6.664 9.717 1.00 0.00 N ATOM 234 CA LYS A 27 2.204 7.208 10.582 1.00 0.00 C ATOM 235 C LYS A 27 1.309 6.115 11.182 1.00 0.00 C ATOM 236 O LYS A 27 1.485 5.721 12.333 1.00 0.00 O ATOM 237 CB LYS A 27 1.366 8.195 9.773 1.00 0.00 C ATOM 238 CG LYS A 27 2.114 9.468 9.377 1.00 0.00 C ATOM 239 CD LYS A 27 1.145 10.436 8.687 1.00 0.00 C ATOM 240 CE LYS A 27 0.400 9.728 7.540 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.198 10.654 6.564 1.00 0.00 N ATOM 0 H LYS A 27 3.239 7.075 8.784 1.00 0.00 H new ATOM 0 HA LYS A 27 2.684 7.711 11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.011 7.699 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.485 8.469 10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.547 9.938 10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.940 9.224 8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.427 10.820 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.694 11.293 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.094 9.066 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.385 9.100 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.821 10.125 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.752 11.377 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.556 11.115 6.015 1.00 0.00 H new ATOM 242 N VAL A 28 0.313 5.654 10.418 1.00 0.00 N ATOM 243 CA VAL A 28 -0.511 4.516 10.789 1.00 0.00 C ATOM 244 C VAL A 28 -0.002 3.326 9.992 1.00 0.00 C ATOM 245 O VAL A 28 0.258 2.278 10.585 1.00 0.00 O ATOM 246 CB VAL A 28 -2.000 4.805 10.543 1.00 0.00 C ATOM 247 CG1 VAL A 28 -2.875 3.562 10.735 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.494 5.868 11.522 1.00 0.00 C ATOM 0 H VAL A 28 0.060 6.068 9.521 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.435 4.302 11.855 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.083 5.143 9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.918 3.819 10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.563 2.786 10.036 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.768 3.196 11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.550 6.067 11.341 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.362 5.511 12.543 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.923 6.786 11.381 1.00 0.00 H new ATOM 249 N GLY A 29 0.149 3.496 8.674 1.00 0.00 N ATOM 250 CA GLY A 29 0.766 2.539 7.769 1.00 0.00 C ATOM 251 C GLY A 29 2.195 2.982 7.451 1.00 0.00 C ATOM 252 O GLY A 29 2.538 4.143 7.675 1.00 0.00 O ATOM 0 H GLY A 29 -0.170 4.339 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.774 1.548 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.184 2.465 6.850 1.00 0.00 H new ATOM 253 N PRO A 30 3.053 2.076 6.958 1.00 0.00 N ATOM 254 CA PRO A 30 4.440 2.389 6.671 1.00 0.00 C ATOM 255 C PRO A 30 4.583 3.298 5.458 1.00 0.00 C ATOM 256 O PRO A 30 3.747 3.290 4.560 1.00 0.00 O ATOM 257 CB PRO A 30 5.138 1.049 6.444 1.00 0.00 C ATOM 258 CG PRO A 30 4.003 0.151 5.953 1.00 0.00 C ATOM 259 CD PRO A 30 2.787 0.669 6.721 1.00 0.00 C ATOM 0 HA PRO A 30 4.889 2.938 7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.937 1.130 5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.587 0.667 7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.863 0.233 4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.198 -0.899 6.170 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.871 0.534 6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.656 0.130 7.659 1.00 0.00 H new ATOM 260 N ASN A 31 5.673 4.061 5.408 1.00 0.00 N ATOM 261 CA ASN A 31 6.006 4.841 4.227 1.00 0.00 C ATOM 262 C ASN A 31 6.186 3.907 3.029 1.00 0.00 C ATOM 263 O ASN A 31 6.881 2.898 3.143 1.00 0.00 O ATOM 264 CB ASN A 31 7.288 5.630 4.476 1.00 0.00 C ATOM 265 CG ASN A 31 7.641 6.470 3.253 1.00 0.00 C ATOM 266 OD1 ASN A 31 8.352 6.001 2.372 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.132 7.692 3.166 1.00 0.00 N ATOM 0 H ASN A 31 6.339 4.153 6.175 1.00 0.00 H new ATOM 0 HA ASN A 31 5.197 5.540 4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.162 6.276 5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.105 4.946 4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.329 8.270 2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.544 8.054 3.916 1.00 0.00 H new ATOM 268 N LEU A 32 5.556 4.222 1.896 1.00 0.00 N ATOM 269 CA LEU A 32 5.510 3.339 0.735 1.00 0.00 C ATOM 270 C LEU A 32 6.599 3.673 -0.295 1.00 0.00 C ATOM 271 O LEU A 32 6.545 3.190 -1.430 1.00 0.00 O ATOM 272 CB LEU A 32 4.097 3.399 0.128 1.00 0.00 C ATOM 273 CG LEU A 32 2.997 2.954 1.112 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.624 3.067 0.442 1.00 0.00 C ATOM 275 CD2 LEU A 32 3.195 1.507 1.582 1.00 0.00 C ATOM 0 H LEU A 32 5.061 5.103 1.760 1.00 0.00 H new ATOM 0 HA LEU A 32 5.720 2.318 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.892 4.418 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.061 2.765 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 32 3.058 3.610 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.850 2.751 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.447 4.101 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.597 2.429 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.397 1.237 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.171 0.838 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.158 1.416 2.085 1.00 0.00 H new ATOM 276 N HIS A 33 7.599 4.485 0.068 1.00 0.00 N ATOM 277 CA HIS A 33 8.643 4.859 -0.870 1.00 0.00 C ATOM 278 C HIS A 33 9.646 3.719 -1.058 1.00 0.00 C ATOM 279 O HIS A 33 10.664 3.645 -0.375 1.00 0.00 O ATOM 280 CB HIS A 33 9.307 6.178 -0.489 1.00 0.00 C ATOM 281 CG HIS A 33 9.895 6.833 -1.708 1.00 0.00 C ATOM 282 ND1 HIS A 33 9.332 7.884 -2.391 1.00 0.00 N ATOM 283 CD2 HIS A 33 11.030 6.457 -2.376 1.00 0.00 C ATOM 284 CE1 HIS A 33 10.145 8.175 -3.418 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.204 7.346 -3.439 1.00 0.00 N ATOM 0 H HIS A 33 7.700 4.889 0.999 1.00 0.00 H new ATOM 0 HA HIS A 33 8.176 5.032 -1.840 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.576 6.842 -0.027 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.088 6.000 0.250 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.458 8.356 -2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.673 5.626 -2.127 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.972 8.967 -4.131 1.00 0.00 H new ATOM 286 N GLY A 34 9.342 2.841 -2.011 1.00 0.00 N ATOM 287 CA GLY A 34 10.141 1.685 -2.381 1.00 0.00 C ATOM 288 C GLY A 34 9.419 0.401 -1.985 1.00 0.00 C ATOM 289 O GLY A 34 10.041 -0.543 -1.506 1.00 0.00 O ATOM 0 H GLY A 34 8.492 2.924 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.327 1.690 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.112 1.732 -1.889 1.00 0.00 H new ATOM 290 N ILE A 35 8.099 0.363 -2.182 1.00 0.00 N ATOM 291 CA ILE A 35 7.271 -0.802 -1.940 1.00 0.00 C ATOM 292 C ILE A 35 7.351 -1.761 -3.134 1.00 0.00 C ATOM 293 O ILE A 35 7.590 -2.955 -2.967 1.00 0.00 O ATOM 294 CB ILE A 35 5.848 -0.311 -1.610 1.00 0.00 C ATOM 295 CG1 ILE A 35 4.916 -1.450 -1.189 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.152 0.465 -2.731 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.169 -1.841 0.256 1.00 0.00 C ATOM 0 H ILE A 35 7.571 1.166 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 35 7.621 -1.382 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 35 6.021 0.375 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.878 -1.142 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.071 -2.312 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.158 0.767 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.737 1.351 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.065 -0.169 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.497 -2.652 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.202 -2.170 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.990 -0.982 0.902 1.00 0.00 H new ATOM 298 N PHE A 36 7.162 -1.231 -4.343 1.00 0.00 N ATOM 299 CA PHE A 36 7.075 -1.991 -5.572 1.00 0.00 C ATOM 300 C PHE A 36 8.323 -2.840 -5.779 1.00 0.00 C ATOM 301 O PHE A 36 9.417 -2.328 -6.006 1.00 0.00 O ATOM 302 CB PHE A 36 6.783 -1.061 -6.754 1.00 0.00 C ATOM 303 CG PHE A 36 5.353 -0.556 -6.739 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.313 -1.433 -7.107 1.00 0.00 C ATOM 305 CD2 PHE A 36 5.031 0.688 -6.163 1.00 0.00 C ATOM 306 CE1 PHE A 36 2.971 -1.064 -6.918 1.00 0.00 C ATOM 307 CE2 PHE A 36 3.699 1.025 -5.922 1.00 0.00 C ATOM 308 CZ PHE A 36 2.662 0.169 -6.325 1.00 0.00 C ATOM 0 H PHE A 36 7.063 -0.226 -4.489 1.00 0.00 H new ATOM 0 HA PHE A 36 6.240 -2.688 -5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.467 -0.213 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.971 -1.591 -7.688 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.549 -2.395 -7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.817 1.383 -5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.178 -1.729 -7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.464 1.952 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.632 0.458 -6.179 1.00 0.00 H new ATOM 309 N GLY A 37 8.129 -4.150 -5.682 1.00 0.00 N ATOM 310 CA GLY A 37 9.155 -5.155 -5.896 1.00 0.00 C ATOM 311 C GLY A 37 10.079 -5.320 -4.689 1.00 0.00 C ATOM 312 O GLY A 37 11.177 -5.857 -4.837 1.00 0.00 O ATOM 0 H GLY A 37 7.222 -4.552 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.681 -6.111 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.749 -4.882 -6.769 1.00 0.00 H new ATOM 313 N ARG A 38 9.677 -4.847 -3.505 1.00 0.00 N ATOM 314 CA ARG A 38 10.363 -5.097 -2.249 1.00 0.00 C ATOM 315 C ARG A 38 9.400 -5.900 -1.378 1.00 0.00 C ATOM 316 O ARG A 38 8.195 -5.674 -1.430 1.00 0.00 O ATOM 317 CB ARG A 38 10.702 -3.774 -1.560 1.00 0.00 C ATOM 318 CG ARG A 38 11.888 -3.006 -2.162 1.00 0.00 C ATOM 319 CD ARG A 38 11.610 -2.498 -3.586 1.00 0.00 C ATOM 320 NE ARG A 38 12.490 -1.387 -3.980 1.00 0.00 N ATOM 321 CZ ARG A 38 13.778 -1.506 -4.335 1.00 0.00 C ATOM 322 NH1 ARG A 38 14.379 -2.698 -4.260 1.00 0.00 N ATOM 323 NH2 ARG A 38 14.457 -0.435 -4.764 1.00 0.00 N ATOM 0 H ARG A 38 8.845 -4.267 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 38 11.295 -5.637 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.822 -3.132 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.915 -3.974 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.129 -2.159 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.764 -3.654 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.734 -3.321 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.572 -2.174 -3.654 1.00 0.00 H new ATOM 0 HE ARG A 38 12.088 -0.450 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.858 -3.512 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.358 -2.793 -4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.995 0.473 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.436 -0.527 -5.034 1.00 0.00 H new ATOM 324 N GLN A 39 9.911 -6.845 -0.585 1.00 0.00 N ATOM 325 CA GLN A 39 9.060 -7.725 0.176 1.00 0.00 C ATOM 326 C GLN A 39 8.173 -6.954 1.149 1.00 0.00 C ATOM 327 O GLN A 39 8.529 -5.882 1.641 1.00 0.00 O ATOM 328 CB GLN A 39 9.909 -8.734 0.946 1.00 0.00 C ATOM 329 CG GLN A 39 10.938 -8.118 1.905 1.00 0.00 C ATOM 330 CD GLN A 39 11.502 -9.177 2.849 1.00 0.00 C ATOM 331 OE1 GLN A 39 12.209 -10.080 2.415 1.00 0.00 O ATOM 332 NE2 GLN A 39 11.205 -9.086 4.142 1.00 0.00 N ATOM 0 H GLN A 39 10.910 -7.010 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 39 8.412 -8.247 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.246 -9.384 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.435 -9.366 0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.748 -7.665 1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.471 -7.321 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.615 -8.325 4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.568 -9.777 4.798 1.00 0.00 H new ATOM 333 N SER A 40 7.037 -7.560 1.460 1.00 0.00 N ATOM 334 CA SER A 40 6.144 -7.098 2.493 1.00 0.00 C ATOM 335 C SER A 40 6.846 -7.306 3.829 1.00 0.00 C ATOM 336 O SER A 40 7.501 -8.331 4.026 1.00 0.00 O ATOM 337 CB SER A 40 4.789 -7.806 2.350 1.00 0.00 C ATOM 338 OG SER A 40 4.822 -9.135 2.825 1.00 0.00 O ATOM 0 H SER A 40 6.710 -8.403 0.987 1.00 0.00 H new ATOM 0 HA SER A 40 5.915 -6.035 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.030 -7.246 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.491 -7.805 1.302 1.00 0.00 H new ATOM 0 HG SER A 40 4.612 -9.146 3.782 1.00 0.00 H new ATOM 339 N GLY A 41 6.794 -6.314 4.716 1.00 0.00 N ATOM 340 CA GLY A 41 7.616 -6.376 5.911 1.00 0.00 C ATOM 341 C GLY A 41 9.081 -6.077 5.569 1.00 0.00 C ATOM 342 O GLY A 41 9.903 -6.993 5.533 1.00 0.00 O ATOM 0 H GLY A 41 6.208 -5.483 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.254 -5.658 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.536 -7.364 6.364 1.00 0.00 H new ATOM 343 N GLN A 42 9.410 -4.803 5.320 1.00 0.00 N ATOM 344 CA GLN A 42 10.777 -4.330 5.103 1.00 0.00 C ATOM 345 C GLN A 42 11.203 -3.190 6.044 1.00 0.00 C ATOM 346 O GLN A 42 12.392 -3.054 6.321 1.00 0.00 O ATOM 347 CB GLN A 42 11.012 -3.991 3.630 1.00 0.00 C ATOM 348 CG GLN A 42 9.994 -2.997 3.069 1.00 0.00 C ATOM 349 CD GLN A 42 10.433 -2.392 1.735 1.00 0.00 C ATOM 350 OE1 GLN A 42 11.602 -2.442 1.366 1.00 0.00 O ATOM 351 NE2 GLN A 42 9.502 -1.799 0.994 1.00 0.00 N ATOM 0 H GLN A 42 8.715 -4.058 5.263 1.00 0.00 H new ATOM 0 HA GLN A 42 11.432 -5.161 5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.014 -3.578 3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.975 -4.909 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.036 -3.500 2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.837 -2.197 3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.535 -1.768 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.754 -1.375 0.101 1.00 0.00 H new ATOM 352 N ALA A 43 10.274 -2.357 6.531 1.00 0.00 N ATOM 353 CA ALA A 43 10.613 -1.302 7.488 1.00 0.00 C ATOM 354 C ALA A 43 11.093 -1.880 8.831 1.00 0.00 C ATOM 355 O ALA A 43 10.760 -3.012 9.174 1.00 0.00 O ATOM 356 CB ALA A 43 9.404 -0.385 7.697 1.00 0.00 C ATOM 0 H ALA A 43 9.287 -2.395 6.278 1.00 0.00 H new ATOM 0 HA ALA A 43 11.438 -0.723 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.661 0.399 8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.122 0.067 6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.568 -0.968 8.084 1.00 0.00 H new ATOM 357 N GLU A 44 11.847 -1.088 9.602 1.00 0.00 N ATOM 358 CA GLU A 44 12.367 -1.486 10.907 1.00 0.00 C ATOM 359 C GLU A 44 11.604 -0.793 12.039 1.00 0.00 C ATOM 360 O GLU A 44 10.821 -1.421 12.751 1.00 0.00 O ATOM 361 CB GLU A 44 13.870 -1.189 10.985 1.00 0.00 C ATOM 362 CG GLU A 44 14.669 -1.975 9.941 1.00 0.00 C ATOM 363 CD GLU A 44 16.159 -1.711 10.108 1.00 0.00 C ATOM 364 OE1 GLU A 44 16.534 -0.525 9.983 1.00 0.00 O ATOM 365 OE2 GLU A 44 16.886 -2.689 10.384 1.00 0.00 O ATOM 0 H GLU A 44 12.114 -0.142 9.330 1.00 0.00 H new ATOM 0 HA GLU A 44 12.221 -2.559 11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.036 -0.122 10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.236 -1.435 11.982 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.468 -3.041 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.352 -1.688 8.938 1.00 0.00 H new ATOM 366 N GLY A 45 11.855 0.505 12.237 1.00 0.00 N ATOM 367 CA GLY A 45 11.368 1.250 13.391 1.00 0.00 C ATOM 368 C GLY A 45 9.888 1.600 13.257 1.00 0.00 C ATOM 369 O GLY A 45 9.542 2.772 13.127 1.00 0.00 O ATOM 0 H GLY A 45 12.408 1.069 11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.522 0.661 14.295 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.949 2.165 13.504 1.00 0.00 H new ATOM 370 N TYR A 46 9.016 0.590 13.276 1.00 0.00 N ATOM 371 CA TYR A 46 7.593 0.760 13.040 1.00 0.00 C ATOM 372 C TYR A 46 6.823 -0.479 13.522 1.00 0.00 C ATOM 373 O TYR A 46 7.342 -1.594 13.500 1.00 0.00 O ATOM 374 CB TYR A 46 7.383 1.037 11.547 1.00 0.00 C ATOM 375 CG TYR A 46 5.951 0.894 11.098 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.973 1.803 11.545 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.574 -0.237 10.358 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.622 1.596 11.221 1.00 0.00 C ATOM 379 CE2 TYR A 46 4.233 -0.420 10.012 1.00 0.00 C ATOM 380 CZ TYR A 46 3.254 0.461 10.482 1.00 0.00 C ATOM 381 OH TYR A 46 1.959 0.249 10.135 1.00 0.00 O ATOM 0 H TYR A 46 9.287 -0.376 13.458 1.00 0.00 H new ATOM 0 HA TYR A 46 7.204 1.606 13.607 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.725 2.047 11.323 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.005 0.354 10.969 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.262 2.659 12.137 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.316 -0.962 10.058 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.872 2.305 11.538 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.951 -1.247 9.378 1.00 0.00 H new ATOM 0 HH TYR A 46 1.460 1.089 10.206 1.00 0.00 H new ATOM 382 N SER A 47 5.581 -0.284 13.973 1.00 0.00 N ATOM 383 CA SER A 47 4.722 -1.312 14.539 1.00 0.00 C ATOM 384 C SER A 47 4.146 -2.221 13.445 1.00 0.00 C ATOM 385 O SER A 47 2.973 -2.113 13.083 1.00 0.00 O ATOM 386 CB SER A 47 3.646 -0.604 15.372 1.00 0.00 C ATOM 387 OG SER A 47 3.286 0.632 14.769 1.00 0.00 O ATOM 0 H SER A 47 5.134 0.633 13.950 1.00 0.00 H new ATOM 0 HA SER A 47 5.287 -1.981 15.188 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.767 -1.242 15.460 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.016 -0.429 16.382 1.00 0.00 H new ATOM 0 HG SER A 47 2.970 0.471 13.856 1.00 0.00 H new ATOM 388 N TYR A 48 4.991 -3.121 12.938 1.00 0.00 N ATOM 389 CA TYR A 48 4.665 -4.128 11.939 1.00 0.00 C ATOM 390 C TYR A 48 3.947 -5.346 12.540 1.00 0.00 C ATOM 391 O TYR A 48 3.534 -5.310 13.699 1.00 0.00 O ATOM 392 CB TYR A 48 5.982 -4.547 11.274 1.00 0.00 C ATOM 393 CG TYR A 48 6.296 -3.949 9.923 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.305 -3.683 8.952 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.642 -3.948 9.543 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.673 -3.246 7.667 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.981 -3.705 8.214 1.00 0.00 C ATOM 398 CZ TYR A 48 7.028 -3.229 7.304 1.00 0.00 C ATOM 399 OH TYR A 48 7.422 -2.952 6.026 1.00 0.00 O ATOM 0 H TYR A 48 5.967 -3.165 13.230 1.00 0.00 H new ATOM 0 HA TYR A 48 3.971 -3.706 11.212 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.797 -4.295 11.952 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.977 -5.632 11.170 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.262 -3.816 9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.414 -4.134 10.275 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.918 -2.926 6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.992 -3.886 7.881 1.00 0.00 H new ATOM 0 HH TYR A 48 6.709 -3.204 5.402 1.00 0.00 H new ATOM 400 N THR A 49 3.807 -6.433 11.758 1.00 0.00 N ATOM 401 CA THR A 49 3.121 -7.651 12.185 1.00 0.00 C ATOM 402 C THR A 49 3.856 -8.932 11.771 1.00 0.00 C ATOM 403 O THR A 49 4.424 -9.018 10.679 1.00 0.00 O ATOM 404 CB THR A 49 1.693 -7.682 11.622 1.00 0.00 C ATOM 405 OG1 THR A 49 1.696 -7.713 10.210 1.00 0.00 O ATOM 406 CG2 THR A 49 0.878 -6.476 12.061 1.00 0.00 C ATOM 0 H THR A 49 4.172 -6.484 10.807 1.00 0.00 H new ATOM 0 HA THR A 49 3.099 -7.625 13.274 1.00 0.00 H new ATOM 0 HB THR A 49 1.238 -8.590 12.017 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.452 -6.830 9.863 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.125 -6.541 11.639 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.813 -6.457 13.149 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.361 -5.564 11.711 1.00 0.00 H new ATOM 407 N ASP A 50 3.756 -9.960 12.628 1.00 0.00 N ATOM 408 CA ASP A 50 4.072 -11.343 12.283 1.00 0.00 C ATOM 409 C ASP A 50 3.304 -11.741 11.028 1.00 0.00 C ATOM 410 O ASP A 50 3.859 -12.311 10.096 1.00 0.00 O ATOM 411 CB ASP A 50 3.669 -12.269 13.432 1.00 0.00 C ATOM 412 CG ASP A 50 4.016 -13.722 13.136 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.179 -13.983 12.771 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.121 -14.585 13.285 1.00 0.00 O ATOM 0 H ASP A 50 3.448 -9.845 13.594 1.00 0.00 H new ATOM 0 HA ASP A 50 5.144 -11.431 12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.172 -11.954 14.346 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.598 -12.181 13.611 1.00 0.00 H new ATOM 415 N ALA A 51 2.010 -11.407 11.021 1.00 0.00 N ATOM 416 CA ALA A 51 1.115 -11.616 9.894 1.00 0.00 C ATOM 417 C ALA A 51 1.755 -11.149 8.584 1.00 0.00 C ATOM 418 O ALA A 51 1.923 -11.958 7.670 1.00 0.00 O ATOM 419 CB ALA A 51 -0.224 -10.918 10.148 1.00 0.00 C ATOM 0 H ALA A 51 1.551 -10.973 11.822 1.00 0.00 H new ATOM 0 HA ALA A 51 0.927 -12.685 9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.886 -11.081 9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.682 -11.327 11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.058 -9.849 10.279 1.00 0.00 H new ATOM 420 N ASN A 52 2.122 -9.864 8.479 1.00 0.00 N ATOM 421 CA ASN A 52 2.763 -9.372 7.262 1.00 0.00 C ATOM 422 C ASN A 52 4.026 -10.182 6.952 1.00 0.00 C ATOM 423 O ASN A 52 4.151 -10.709 5.849 1.00 0.00 O ATOM 424 CB ASN A 52 3.018 -7.861 7.357 1.00 0.00 C ATOM 425 CG ASN A 52 3.596 -7.258 6.074 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.163 -7.955 5.240 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.442 -5.952 5.884 1.00 0.00 N ATOM 0 H ASN A 52 1.988 -9.163 9.208 1.00 0.00 H new ATOM 0 HA ASN A 52 2.090 -9.517 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.082 -7.357 7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.704 -7.667 8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.798 -5.515 5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.968 -5.387 6.588 1.00 0.00 H new ATOM 428 N ILE A 53 4.935 -10.327 7.924 1.00 0.00 N ATOM 429 CA ILE A 53 6.184 -11.062 7.728 1.00 0.00 C ATOM 430 C ILE A 53 5.925 -12.457 7.142 1.00 0.00 C ATOM 431 O ILE A 53 6.451 -12.799 6.085 1.00 0.00 O ATOM 432 CB ILE A 53 6.986 -11.109 9.045 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.490 -9.695 9.391 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.172 -12.079 8.933 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.057 -9.595 10.810 1.00 0.00 C ATOM 0 H ILE A 53 4.824 -9.940 8.861 1.00 0.00 H new ATOM 0 HA ILE A 53 6.793 -10.533 6.994 1.00 0.00 H new ATOM 0 HB ILE A 53 6.331 -11.467 9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.260 -9.404 8.676 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.670 -8.986 9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.721 -12.093 9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.803 -13.081 8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.835 -11.752 8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.396 -8.576 10.995 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.282 -9.857 11.531 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.897 -10.281 10.915 1.00 0.00 H new ATOM 436 N LYS A 54 5.116 -13.280 7.811 1.00 0.00 N ATOM 437 CA LYS A 54 4.805 -14.626 7.346 1.00 0.00 C ATOM 438 C LYS A 54 4.147 -14.601 5.968 1.00 0.00 C ATOM 439 O LYS A 54 4.363 -15.507 5.167 1.00 0.00 O ATOM 440 CB LYS A 54 3.911 -15.347 8.357 1.00 0.00 C ATOM 441 CG LYS A 54 4.699 -15.687 9.625 1.00 0.00 C ATOM 442 CD LYS A 54 3.814 -16.485 10.583 1.00 0.00 C ATOM 443 CE LYS A 54 4.644 -16.987 11.771 1.00 0.00 C ATOM 444 NZ LYS A 54 3.816 -17.108 12.983 1.00 0.00 N ATOM 0 H LYS A 54 4.660 -13.030 8.689 1.00 0.00 H new ATOM 0 HA LYS A 54 5.743 -15.174 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.058 -14.718 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.513 -16.260 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.587 -16.264 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.042 -14.772 10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.995 -15.861 10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.366 -17.330 10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.083 -17.955 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.470 -16.300 11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.312 -17.692 13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.641 -16.163 13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.909 -17.554 12.740 1.00 0.00 H new ATOM 445 N LYS A 55 3.366 -13.559 5.679 1.00 0.00 N ATOM 446 CA LYS A 55 2.734 -13.375 4.385 1.00 0.00 C ATOM 447 C LYS A 55 3.669 -12.649 3.401 1.00 0.00 C ATOM 448 O LYS A 55 3.177 -12.105 2.417 1.00 0.00 O ATOM 449 CB LYS A 55 1.385 -12.672 4.621 1.00 0.00 C ATOM 450 CG LYS A 55 0.412 -12.624 3.435 1.00 0.00 C ATOM 451 CD LYS A 55 0.013 -14.000 2.870 1.00 0.00 C ATOM 452 CE LYS A 55 0.374 -14.113 1.383 1.00 0.00 C ATOM 453 NZ LYS A 55 -0.427 -13.171 0.575 1.00 0.00 N ATOM 0 H LYS A 55 3.157 -12.817 6.346 1.00 0.00 H new ATOM 0 HA LYS A 55 2.535 -14.331 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.884 -13.169 5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.586 -11.648 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.491 -12.099 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.864 -12.036 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.518 -14.787 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.058 -14.153 3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.435 -13.906 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.201 -15.133 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.053 -13.141 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.418 -13.487 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.375 -12.221 0.996 1.00 0.00 H new ATOM 454 N ASN A 56 4.990 -12.690 3.639 1.00 0.00 N ATOM 455 CA ASN A 56 6.071 -12.227 2.763 1.00 0.00 C ATOM 456 C ASN A 56 5.677 -12.193 1.285 1.00 0.00 C ATOM 457 O ASN A 56 5.699 -13.223 0.609 1.00 0.00 O ATOM 458 CB ASN A 56 7.304 -13.129 2.945 1.00 0.00 C ATOM 459 CG ASN A 56 8.481 -12.718 2.061 1.00 0.00 C ATOM 460 OD1 ASN A 56 8.448 -11.709 1.364 1.00 0.00 O ATOM 461 ND2 ASN A 56 9.556 -13.500 2.088 1.00 0.00 N ATOM 0 H ASN A 56 5.353 -13.075 4.511 1.00 0.00 H new ATOM 0 HA ASN A 56 6.296 -11.201 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.615 -13.103 3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.030 -14.160 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.372 -13.265 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.565 -14.335 2.674 1.00 0.00 H new ATOM 462 N VAL A 57 5.334 -11.005 0.790 1.00 0.00 N ATOM 463 CA VAL A 57 4.895 -10.761 -0.571 1.00 0.00 C ATOM 464 C VAL A 57 5.811 -9.717 -1.207 1.00 0.00 C ATOM 465 O VAL A 57 5.936 -8.608 -0.708 1.00 0.00 O ATOM 466 CB VAL A 57 3.410 -10.356 -0.527 1.00 0.00 C ATOM 467 CG1 VAL A 57 2.978 -9.377 -1.620 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.557 -11.621 -0.640 1.00 0.00 C ATOM 0 H VAL A 57 5.357 -10.156 1.354 1.00 0.00 H new ATOM 0 HA VAL A 57 4.966 -11.649 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 57 3.266 -9.835 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.918 -9.151 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.556 -8.457 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.152 -9.824 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.501 -11.352 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.777 -12.125 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.785 -12.289 0.191 1.00 0.00 H new ATOM 469 N LEU A 58 6.428 -10.081 -2.331 1.00 0.00 N ATOM 470 CA LEU A 58 7.302 -9.282 -3.194 1.00 0.00 C ATOM 471 C LEU A 58 6.724 -7.897 -3.554 1.00 0.00 C ATOM 472 O LEU A 58 7.474 -6.998 -3.924 1.00 0.00 O ATOM 473 CB LEU A 58 7.565 -10.198 -4.404 1.00 0.00 C ATOM 474 CG LEU A 58 8.228 -9.722 -5.702 1.00 0.00 C ATOM 475 CD1 LEU A 58 7.303 -8.899 -6.601 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.550 -9.028 -5.439 1.00 0.00 C ATOM 0 H LEU A 58 6.320 -11.028 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 58 8.230 -9.001 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.172 -11.025 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.599 -10.614 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 58 8.445 -10.625 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.842 -8.598 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.438 -9.500 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.969 -8.011 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.987 -8.706 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.384 -8.159 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.231 -9.719 -4.941 1.00 0.00 H new ATOM 477 N TRP A 59 5.404 -7.716 -3.465 1.00 0.00 N ATOM 478 CA TRP A 59 4.708 -6.484 -3.818 1.00 0.00 C ATOM 479 C TRP A 59 4.947 -6.101 -5.275 1.00 0.00 C ATOM 480 O TRP A 59 5.431 -5.013 -5.586 1.00 0.00 O ATOM 481 CB TRP A 59 4.995 -5.325 -2.848 1.00 0.00 C ATOM 482 CG TRP A 59 4.386 -5.400 -1.480 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.025 -5.102 -0.326 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.025 -5.771 -1.094 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.155 -5.243 0.736 1.00 0.00 N ATOM 486 CE2 TRP A 59 2.938 -5.731 0.327 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.853 -6.153 -1.787 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.790 -6.120 1.027 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.719 -6.608 -1.095 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.695 -6.613 0.310 1.00 0.00 C ATOM 0 H TRP A 59 4.774 -8.447 -3.135 1.00 0.00 H new ATOM 0 HA TRP A 59 3.643 -6.691 -3.711 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.076 -5.244 -2.731 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.655 -4.402 -3.317 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.059 -4.800 -0.247 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.387 -5.014 1.703 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.830 -6.094 -2.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.750 -6.041 2.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.141 -6.957 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.167 -6.997 0.835 1.00 0.00 H new ATOM 491 N ASP A 60 4.529 -6.989 -6.174 1.00 0.00 N ATOM 492 CA ASP A 60 4.214 -6.625 -7.541 1.00 0.00 C ATOM 493 C ASP A 60 2.821 -5.985 -7.577 1.00 0.00 C ATOM 494 O ASP A 60 2.030 -6.108 -6.637 1.00 0.00 O ATOM 495 CB ASP A 60 4.230 -7.887 -8.400 1.00 0.00 C ATOM 496 CG ASP A 60 3.111 -8.805 -7.948 1.00 0.00 C ATOM 497 OD1 ASP A 60 3.360 -9.544 -6.971 1.00 0.00 O ATOM 498 OD2 ASP A 60 1.997 -8.671 -8.495 1.00 0.00 O ATOM 0 H ASP A 60 4.401 -7.980 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 60 4.946 -5.915 -7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.104 -7.629 -9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.192 -8.392 -8.309 1.00 0.00 H new ATOM 499 N GLU A 61 2.516 -5.326 -8.693 1.00 0.00 N ATOM 500 CA GLU A 61 1.260 -4.631 -8.921 1.00 0.00 C ATOM 501 C GLU A 61 0.032 -5.552 -8.825 1.00 0.00 C ATOM 502 O GLU A 61 -1.046 -5.094 -8.438 1.00 0.00 O ATOM 503 CB GLU A 61 1.355 -3.928 -10.284 1.00 0.00 C ATOM 504 CG GLU A 61 2.391 -2.801 -10.241 1.00 0.00 C ATOM 505 CD GLU A 61 3.375 -2.807 -11.400 1.00 0.00 C ATOM 506 OE1 GLU A 61 3.114 -2.154 -12.434 1.00 0.00 O ATOM 507 OE2 GLU A 61 4.493 -3.337 -11.218 1.00 0.00 O ATOM 0 H GLU A 61 3.157 -5.262 -9.484 1.00 0.00 H new ATOM 0 HA GLU A 61 1.109 -3.897 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.628 -4.651 -11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.381 -3.523 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.869 -1.844 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.948 -2.872 -9.307 1.00 0.00 H new ATOM 508 N ASN A 62 0.155 -6.836 -9.176 1.00 0.00 N ATOM 509 CA ASN A 62 -0.989 -7.737 -9.223 1.00 0.00 C ATOM 510 C ASN A 62 -1.334 -8.211 -7.813 1.00 0.00 C ATOM 511 O ASN A 62 -2.484 -8.117 -7.385 1.00 0.00 O ATOM 512 CB ASN A 62 -0.714 -8.905 -10.174 1.00 0.00 C ATOM 513 CG ASN A 62 -1.945 -9.785 -10.350 1.00 0.00 C ATOM 514 OD1 ASN A 62 -3.037 -9.294 -10.611 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.779 -11.100 -10.240 1.00 0.00 N ATOM 0 H ASN A 62 1.041 -7.271 -9.432 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.855 -7.204 -9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.400 -8.519 -11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.110 -9.504 -9.787 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.572 -11.727 -10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.858 -11.481 -10.022 1.00 0.00 H new ATOM 516 N ASN A 63 -0.336 -8.671 -7.053 1.00 0.00 N ATOM 517 CA ASN A 63 -0.553 -8.950 -5.634 1.00 0.00 C ATOM 518 C ASN A 63 -1.061 -7.695 -4.932 1.00 0.00 C ATOM 519 O ASN A 63 -2.026 -7.760 -4.167 1.00 0.00 O ATOM 520 CB ASN A 63 0.711 -9.464 -4.939 1.00 0.00 C ATOM 521 CG ASN A 63 0.869 -10.975 -5.079 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.060 -11.736 -4.553 1.00 0.00 O ATOM 523 ND2 ASN A 63 1.913 -11.435 -5.754 1.00 0.00 N ATOM 0 H ASN A 63 0.610 -8.854 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.300 -9.741 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.584 -8.968 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.676 -9.200 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.058 -12.440 -5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.571 -10.784 -6.182 1.00 0.00 H new ATOM 524 N MET A 64 -0.427 -6.545 -5.193 1.00 0.00 N ATOM 525 CA MET A 64 -0.840 -5.309 -4.553 1.00 0.00 C ATOM 526 C MET A 64 -2.286 -4.955 -4.898 1.00 0.00 C ATOM 527 O MET A 64 -3.012 -4.510 -4.014 1.00 0.00 O ATOM 528 CB MET A 64 0.136 -4.167 -4.845 1.00 0.00 C ATOM 529 CG MET A 64 -0.116 -3.016 -3.858 1.00 0.00 C ATOM 530 SD MET A 64 1.050 -1.636 -3.900 1.00 0.00 S ATOM 531 CE MET A 64 2.590 -2.474 -3.468 1.00 0.00 C ATOM 0 H MET A 64 0.361 -6.453 -5.834 1.00 0.00 H new ATOM 0 HA MET A 64 -0.810 -5.468 -3.475 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.163 -4.520 -4.755 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.008 -3.817 -5.869 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.115 -2.622 -4.044 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.118 -3.428 -2.849 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.412 -1.758 -3.488 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.504 -2.901 -2.469 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.785 -3.270 -4.187 1.00 0.00 H new ATOM 532 N SER A 65 -2.734 -5.165 -6.141 1.00 0.00 N ATOM 533 CA SER A 65 -4.126 -5.007 -6.492 1.00 0.00 C ATOM 534 C SER A 65 -5.029 -5.804 -5.549 1.00 0.00 C ATOM 535 O SER A 65 -5.977 -5.244 -4.996 1.00 0.00 O ATOM 536 CB SER A 65 -4.322 -5.440 -7.943 1.00 0.00 C ATOM 537 OG SER A 65 -3.725 -4.523 -8.833 1.00 0.00 O ATOM 0 H SER A 65 -2.136 -5.447 -6.918 1.00 0.00 H new ATOM 0 HA SER A 65 -4.407 -3.959 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.890 -6.429 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.387 -5.521 -8.160 1.00 0.00 H new ATOM 0 HG SER A 65 -2.751 -4.627 -8.806 1.00 0.00 H new ATOM 538 N GLU A 66 -4.761 -7.099 -5.371 1.00 0.00 N ATOM 539 CA GLU A 66 -5.602 -7.934 -4.521 1.00 0.00 C ATOM 540 C GLU A 66 -5.571 -7.425 -3.083 1.00 0.00 C ATOM 541 O GLU A 66 -6.612 -7.214 -2.462 1.00 0.00 O ATOM 542 CB GLU A 66 -5.159 -9.398 -4.605 1.00 0.00 C ATOM 543 CG GLU A 66 -6.180 -10.354 -3.958 1.00 0.00 C ATOM 544 CD GLU A 66 -7.588 -10.243 -4.540 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.691 -10.013 -5.762 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.542 -10.368 -3.740 1.00 0.00 O ATOM 0 H GLU A 66 -3.975 -7.586 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.631 -7.876 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.018 -9.674 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.194 -9.512 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.829 -11.379 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.223 -10.153 -2.888 1.00 0.00 H new ATOM 547 N TYR A 67 -4.368 -7.178 -2.566 1.00 0.00 N ATOM 548 CA TYR A 67 -4.210 -6.589 -1.242 1.00 0.00 C ATOM 549 C TYR A 67 -5.083 -5.340 -1.091 1.00 0.00 C ATOM 550 O TYR A 67 -5.900 -5.270 -0.180 1.00 0.00 O ATOM 551 CB TYR A 67 -2.741 -6.292 -0.947 1.00 0.00 C ATOM 552 CG TYR A 67 -2.504 -5.664 0.414 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.626 -6.449 1.574 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.240 -4.290 0.539 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.469 -5.880 2.845 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.168 -3.704 1.814 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.267 -4.500 2.970 1.00 0.00 C ATOM 558 OH TYR A 67 -2.462 -3.933 4.191 1.00 0.00 O ATOM 0 H TYR A 67 -3.490 -7.377 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.549 -7.315 -0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.172 -7.220 -1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.353 -5.625 -1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.843 -7.503 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.093 -3.685 -0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.504 -6.504 3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.036 -2.636 1.907 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.102 -3.195 4.111 1.00 0.00 H new ATOM 559 N LEU A 68 -4.964 -4.377 -2.006 1.00 0.00 N ATOM 560 CA LEU A 68 -5.816 -3.194 -2.013 1.00 0.00 C ATOM 561 C LEU A 68 -7.296 -3.557 -2.128 1.00 0.00 C ATOM 562 O LEU A 68 -8.128 -2.836 -1.589 1.00 0.00 O ATOM 563 CB LEU A 68 -5.394 -2.216 -3.117 1.00 0.00 C ATOM 564 CG LEU A 68 -4.639 -0.987 -2.586 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.418 -1.346 -1.735 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.172 -0.137 -3.771 1.00 0.00 C ATOM 0 H LEU A 68 -4.276 -4.398 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.684 -2.694 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.762 -2.740 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.281 -1.884 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.333 -0.443 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.932 -0.432 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.735 -1.933 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.717 -1.928 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.635 0.737 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.511 -0.728 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.037 0.186 -4.350 1.00 0.00 H new ATOM 567 N THR A 69 -7.651 -4.638 -2.825 1.00 0.00 N ATOM 568 CA THR A 69 -9.026 -5.122 -2.863 1.00 0.00 C ATOM 569 C THR A 69 -9.487 -5.607 -1.480 1.00 0.00 C ATOM 570 O THR A 69 -10.664 -5.451 -1.161 1.00 0.00 O ATOM 571 CB THR A 69 -9.213 -6.198 -3.949 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.672 -5.740 -5.168 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.692 -6.491 -4.218 1.00 0.00 C ATOM 0 H THR A 69 -6.997 -5.196 -3.374 1.00 0.00 H new ATOM 0 HA THR A 69 -9.667 -4.283 -3.135 1.00 0.00 H new ATOM 0 HB THR A 69 -8.715 -7.097 -3.587 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.696 -5.697 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.777 -7.255 -4.990 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.165 -6.846 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.188 -5.580 -4.553 1.00 0.00 H new ATOM 574 N ASN A 70 -8.609 -6.212 -0.667 1.00 0.00 N ATOM 575 CA ASN A 70 -8.977 -6.751 0.645 1.00 0.00 C ATOM 576 C ASN A 70 -7.757 -7.008 1.548 1.00 0.00 C ATOM 577 O ASN A 70 -7.322 -8.151 1.703 1.00 0.00 O ATOM 578 CB ASN A 70 -9.844 -8.016 0.492 1.00 0.00 C ATOM 579 CG ASN A 70 -9.271 -9.059 -0.470 1.00 0.00 C ATOM 580 OD1 ASN A 70 -8.567 -9.982 -0.074 1.00 0.00 O ATOM 581 ND2 ASN A 70 -9.633 -8.954 -1.744 1.00 0.00 N ATOM 0 H ASN A 70 -7.625 -6.340 -0.903 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.570 -5.987 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.973 -8.475 1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.835 -7.723 0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.325 -9.652 -2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.219 -8.176 -2.045 1.00 0.00 H new ATOM 582 N PRO A 71 -7.218 -5.978 2.219 1.00 0.00 N ATOM 583 CA PRO A 71 -5.936 -6.082 2.903 1.00 0.00 C ATOM 584 C PRO A 71 -6.026 -7.021 4.102 1.00 0.00 C ATOM 585 O PRO A 71 -5.213 -7.927 4.271 1.00 0.00 O ATOM 586 CB PRO A 71 -5.568 -4.656 3.325 1.00 0.00 C ATOM 587 CG PRO A 71 -6.881 -3.878 3.294 1.00 0.00 C ATOM 588 CD PRO A 71 -7.762 -4.633 2.299 1.00 0.00 C ATOM 0 HA PRO A 71 -5.170 -6.506 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.125 -4.642 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.836 -4.221 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.342 -3.841 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.722 -2.847 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.799 -4.651 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.750 -4.149 1.322 1.00 0.00 H new HETATM 589 N M3L A 72 -7.056 -6.800 4.917 1.00 0.00 N HETATM 590 CA M3L A 72 -7.344 -7.522 6.151 1.00 0.00 C HETATM 591 CB M3L A 72 -8.556 -6.866 6.823 1.00 0.00 C HETATM 592 CG M3L A 72 -8.212 -5.422 7.225 1.00 0.00 C HETATM 593 CD M3L A 72 -9.414 -4.638 7.701 1.00 0.00 C HETATM 594 CE M3L A 72 -9.605 -4.946 9.192 1.00 0.00 C HETATM 595 NZ M3L A 72 -11.016 -4.877 9.624 1.00 0.00 N HETATM 596 C M3L A 72 -7.557 -9.025 5.935 1.00 0.00 C HETATM 597 O M3L A 72 -7.497 -9.796 6.889 1.00 0.00 O HETATM 598 CM1 M3L A 72 -11.734 -6.056 9.084 1.00 0.00 C HETATM 599 CM2 M3L A 72 -11.048 -4.926 11.104 1.00 0.00 C HETATM 600 CM3 M3L A 72 -11.630 -3.613 9.153 1.00 0.00 C HETATM 0 HM33 M3L A 72 -11.086 -2.766 9.571 1.00 0.00 H new HETATM 0 HM32 M3L A 72 -11.586 -3.571 8.065 1.00 0.00 H new HETATM 0 HM31 M3L A 72 -12.670 -3.571 9.476 1.00 0.00 H new HETATM 0 HM23 M3L A 72 -10.596 -5.857 11.447 1.00 0.00 H new HETATM 0 HM22 M3L A 72 -10.490 -4.081 11.508 1.00 0.00 H new HETATM 0 HM21 M3L A 72 -12.081 -4.876 11.447 1.00 0.00 H new HETATM 0 HM13 M3L A 72 -11.679 -6.049 7.995 1.00 0.00 H new HETATM 0 HM12 M3L A 72 -11.274 -6.968 9.464 1.00 0.00 H new HETATM 0 HM11 M3L A 72 -12.778 -6.020 9.394 1.00 0.00 H new HETATM 0 HG3 M3L A 72 -7.461 -5.440 8.015 1.00 0.00 H new HETATM 0 HG2 M3L A 72 -7.766 -4.910 6.372 1.00 0.00 H new HETATM 0 HE3 M3L A 72 -9.215 -5.942 9.404 1.00 0.00 H new HETATM 0 HE2 M3L A 72 -9.017 -4.242 9.780 1.00 0.00 H new HETATM 0 HD3 M3L A 72 -9.261 -3.570 7.547 1.00 0.00 H new HETATM 0 HD2 M3L A 72 -10.303 -4.917 7.135 1.00 0.00 H new HETATM 0 HB3 M3L A 72 -9.407 -6.870 6.142 1.00 0.00 H new HETATM 0 HB2 M3L A 72 -8.849 -7.438 7.703 1.00 0.00 H new HETATM 0 HA M3L A 72 -6.474 -7.454 6.804 1.00 0.00 H new HETATM 0 H M3L A 72 -7.633 -6.004 4.645 1.00 0.00 H new ATOM 601 N LYS A 73 -7.822 -9.434 4.693 1.00 0.00 N ATOM 602 CA LYS A 73 -7.987 -10.820 4.303 1.00 0.00 C ATOM 603 C LYS A 73 -6.660 -11.310 3.731 1.00 0.00 C ATOM 604 O LYS A 73 -6.133 -12.337 4.153 1.00 0.00 O ATOM 605 CB LYS A 73 -9.107 -10.877 3.262 1.00 0.00 C ATOM 606 CG LYS A 73 -9.478 -12.307 2.853 1.00 0.00 C ATOM 607 CD LYS A 73 -10.558 -12.256 1.764 1.00 0.00 C ATOM 608 CE LYS A 73 -10.868 -13.659 1.228 1.00 0.00 C ATOM 609 NZ LYS A 73 -11.820 -13.614 0.098 1.00 0.00 N ATOM 0 H LYS A 73 -7.929 -8.785 3.914 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.256 -11.459 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.991 -10.379 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.800 -10.321 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.597 -12.833 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.842 -12.862 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.466 -11.809 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.225 -11.616 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.943 -14.138 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.282 -14.271 2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.006 -14.580 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.711 -13.179 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.414 -13.050 -0.676 1.00 0.00 H new ATOM 610 N TYR A 74 -6.132 -10.569 2.754 1.00 0.00 N ATOM 611 CA TYR A 74 -4.920 -10.936 2.038 1.00 0.00 C ATOM 612 C TYR A 74 -3.719 -11.069 2.987 1.00 0.00 C ATOM 613 O TYR A 74 -2.841 -11.900 2.738 1.00 0.00 O ATOM 614 CB TYR A 74 -4.687 -9.927 0.911 1.00 0.00 C ATOM 615 CG TYR A 74 -3.550 -10.284 -0.027 1.00 0.00 C ATOM 616 CD1 TYR A 74 -2.231 -9.920 0.292 1.00 0.00 C ATOM 617 CD2 TYR A 74 -3.794 -11.071 -1.168 1.00 0.00 C ATOM 618 CE1 TYR A 74 -1.166 -10.354 -0.506 1.00 0.00 C ATOM 619 CE2 TYR A 74 -2.718 -11.558 -1.930 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.399 -11.222 -1.583 1.00 0.00 C ATOM 621 OH TYR A 74 -0.397 -12.085 -1.919 1.00 0.00 O ATOM 0 H TYR A 74 -6.542 -9.690 2.439 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.041 -11.923 1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.604 -9.832 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.485 -8.950 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.038 -9.303 1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.809 -11.301 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.162 -10.019 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.906 -12.192 -2.784 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.042 -11.846 -2.801 1.00 0.00 H new ATOM 622 N ILE A 75 -3.684 -10.273 4.065 1.00 0.00 N ATOM 623 CA ILE A 75 -2.760 -10.452 5.186 1.00 0.00 C ATOM 624 C ILE A 75 -3.585 -10.793 6.435 1.00 0.00 C ATOM 625 O ILE A 75 -4.222 -9.904 7.002 1.00 0.00 O ATOM 626 CB ILE A 75 -1.839 -9.224 5.366 1.00 0.00 C ATOM 627 CG1 ILE A 75 -1.064 -9.003 4.054 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.872 -9.432 6.548 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.089 -8.002 4.124 1.00 0.00 C ATOM 0 H ILE A 75 -4.308 -9.475 4.181 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.078 -11.279 4.990 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.439 -8.342 5.592 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.668 -9.963 3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.766 -8.667 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.234 -8.555 6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.444 -9.579 7.464 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.253 -10.310 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.564 -7.925 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.294 -7.025 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.821 -8.341 4.857 1.00 0.00 H new ATOM 630 N PRO A 76 -3.608 -12.064 6.877 1.00 0.00 N ATOM 631 CA PRO A 76 -4.468 -12.506 7.964 1.00 0.00 C ATOM 632 C PRO A 76 -3.923 -12.010 9.307 1.00 0.00 C ATOM 633 O PRO A 76 -3.301 -12.757 10.058 1.00 0.00 O ATOM 634 CB PRO A 76 -4.508 -14.034 7.852 1.00 0.00 C ATOM 635 CG PRO A 76 -3.140 -14.371 7.261 1.00 0.00 C ATOM 636 CD PRO A 76 -2.874 -13.194 6.323 1.00 0.00 C ATOM 0 HA PRO A 76 -5.478 -12.101 7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.655 -14.506 8.823 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.320 -14.370 7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.375 -14.453 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.154 -15.320 6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.808 -12.975 6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.210 -13.419 5.311 1.00 0.00 H new ATOM 637 N GLY A 77 -4.175 -10.732 9.596 1.00 0.00 N ATOM 638 CA GLY A 77 -3.825 -10.067 10.846 1.00 0.00 C ATOM 639 C GLY A 77 -2.996 -8.800 10.629 1.00 0.00 C ATOM 640 O GLY A 77 -2.162 -8.465 11.467 1.00 0.00 O ATOM 0 H GLY A 77 -4.647 -10.111 8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.738 -9.811 11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.266 -10.758 11.476 1.00 0.00 H new ATOM 641 N THR A 78 -3.229 -8.074 9.531 1.00 0.00 N ATOM 642 CA THR A 78 -2.657 -6.747 9.355 1.00 0.00 C ATOM 643 C THR A 78 -3.326 -5.761 10.316 1.00 0.00 C ATOM 644 O THR A 78 -4.513 -5.877 10.624 1.00 0.00 O ATOM 645 CB THR A 78 -2.763 -6.282 7.890 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.483 -4.909 7.785 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.145 -6.462 7.273 1.00 0.00 C ATOM 0 H THR A 78 -3.811 -8.388 8.754 1.00 0.00 H new ATOM 0 HA THR A 78 -1.594 -6.788 9.594 1.00 0.00 H new ATOM 0 HB THR A 78 -2.045 -6.908 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.396 -4.664 6.840 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.132 -6.110 6.242 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.418 -7.517 7.293 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.875 -5.888 7.843 1.00 0.00 H new ATOM 648 N LYS A 79 -2.565 -4.754 10.752 1.00 0.00 N ATOM 649 CA LYS A 79 -3.081 -3.610 11.492 1.00 0.00 C ATOM 650 C LYS A 79 -3.934 -2.697 10.589 1.00 0.00 C ATOM 651 O LYS A 79 -4.634 -1.808 11.073 1.00 0.00 O ATOM 652 CB LYS A 79 -1.877 -2.873 12.101 1.00 0.00 C ATOM 653 CG LYS A 79 -2.298 -1.713 13.009 1.00 0.00 C ATOM 654 CD LYS A 79 -1.139 -1.224 13.900 1.00 0.00 C ATOM 655 CE LYS A 79 -0.023 -0.490 13.139 1.00 0.00 C ATOM 656 NZ LYS A 79 -0.462 0.843 12.678 1.00 0.00 N ATOM 0 H LYS A 79 -1.558 -4.714 10.596 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.748 -3.937 12.289 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.275 -3.578 12.674 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.245 -2.492 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.658 -0.886 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.130 -2.029 13.638 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.540 -0.559 14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.707 -2.081 14.417 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.848 -0.383 13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.287 -1.088 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.003 1.069 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.493 0.842 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.205 1.558 13.388 1.00 0.00 H new ATOM 657 N ALA A 80 -3.835 -2.871 9.270 1.00 0.00 N ATOM 658 CA ALA A 80 -4.462 -2.021 8.269 1.00 0.00 C ATOM 659 C ALA A 80 -5.992 -2.063 8.316 1.00 0.00 C ATOM 660 O ALA A 80 -6.631 -2.807 7.571 1.00 0.00 O ATOM 661 CB ALA A 80 -3.944 -2.415 6.887 1.00 0.00 C ATOM 0 H ALA A 80 -3.297 -3.635 8.860 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.190 -0.989 8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.409 -1.783 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.862 -2.286 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.191 -3.458 6.690 1.00 0.00 H new ATOM 662 N ALA A 81 -6.594 -1.214 9.150 1.00 0.00 N ATOM 663 CA ALA A 81 -8.037 -1.001 9.205 1.00 0.00 C ATOM 664 C ALA A 81 -8.558 -0.246 7.968 1.00 0.00 C ATOM 665 O ALA A 81 -9.178 0.806 8.099 1.00 0.00 O ATOM 666 CB ALA A 81 -8.382 -0.269 10.507 1.00 0.00 C ATOM 0 H ALA A 81 -6.078 -0.644 9.820 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.538 -1.969 9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.458 -0.105 10.558 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.066 -0.872 11.358 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.867 0.691 10.532 1.00 0.00 H new ATOM 667 N PHE A 82 -8.329 -0.793 6.770 1.00 0.00 N ATOM 668 CA PHE A 82 -8.829 -0.286 5.495 1.00 0.00 C ATOM 669 C PHE A 82 -9.776 -1.339 4.913 1.00 0.00 C ATOM 670 O PHE A 82 -9.557 -2.534 5.103 1.00 0.00 O ATOM 671 CB PHE A 82 -7.648 0.025 4.558 1.00 0.00 C ATOM 672 CG PHE A 82 -8.003 0.406 3.123 1.00 0.00 C ATOM 673 CD1 PHE A 82 -9.037 1.320 2.843 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.281 -0.160 2.055 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.435 1.549 1.511 1.00 0.00 C ATOM 676 CE2 PHE A 82 -7.676 0.066 0.727 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.763 0.910 0.453 1.00 0.00 C ATOM 0 H PHE A 82 -7.766 -1.637 6.661 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.379 0.646 5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.070 0.840 4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.996 -0.848 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.525 1.846 3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.416 -0.773 2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.258 2.217 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.144 -0.410 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.083 1.068 -0.566 1.00 0.00 H new ATOM 678 N GLY A 83 -10.851 -0.893 4.256 1.00 0.00 N ATOM 679 CA GLY A 83 -11.864 -1.767 3.684 1.00 0.00 C ATOM 680 C GLY A 83 -11.341 -2.434 2.415 1.00 0.00 C ATOM 681 O GLY A 83 -11.087 -3.636 2.409 1.00 0.00 O ATOM 0 H GLY A 83 -11.039 0.099 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.148 -2.528 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.762 -1.192 3.456 1.00 0.00 H new ATOM 682 N GLY A 84 -11.183 -1.653 1.341 1.00 0.00 N ATOM 683 CA GLY A 84 -10.604 -2.142 0.101 1.00 0.00 C ATOM 684 C GLY A 84 -11.063 -1.339 -1.119 1.00 0.00 C ATOM 685 O GLY A 84 -12.238 -0.988 -1.235 1.00 0.00 O ATOM 0 H GLY A 84 -11.454 -0.670 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.517 -2.101 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.875 -3.189 -0.035 1.00 0.00 H new ATOM 686 N LEU A 85 -10.159 -1.069 -2.067 1.00 0.00 N ATOM 687 CA LEU A 85 -10.502 -0.514 -3.372 1.00 0.00 C ATOM 688 C LEU A 85 -11.139 -1.603 -4.244 1.00 0.00 C ATOM 689 O LEU A 85 -10.544 -2.077 -5.217 1.00 0.00 O ATOM 690 CB LEU A 85 -9.276 0.104 -4.064 1.00 0.00 C ATOM 691 CG LEU A 85 -8.770 1.457 -3.537 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.818 2.072 -4.572 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.903 2.457 -3.279 1.00 0.00 C ATOM 0 H LEU A 85 -9.160 -1.233 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.223 0.290 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.456 -0.611 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.511 0.222 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.269 1.264 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.454 3.032 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.974 1.402 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.349 2.219 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.485 3.393 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.443 2.643 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.588 2.047 -2.537 1.00 0.00 H new ATOM 694 N LYS A 86 -12.381 -1.963 -3.907 1.00 0.00 N ATOM 695 CA LYS A 86 -13.208 -2.920 -4.638 1.00 0.00 C ATOM 696 C LYS A 86 -13.314 -2.530 -6.124 1.00 0.00 C ATOM 697 O LYS A 86 -13.238 -3.385 -7.008 1.00 0.00 O ATOM 698 CB LYS A 86 -14.589 -2.989 -3.959 1.00 0.00 C ATOM 699 CG LYS A 86 -15.314 -4.343 -4.053 1.00 0.00 C ATOM 700 CD LYS A 86 -15.650 -4.784 -5.486 1.00 0.00 C ATOM 701 CE LYS A 86 -14.657 -5.824 -6.034 1.00 0.00 C ATOM 702 NZ LYS A 86 -14.467 -5.692 -7.492 1.00 0.00 N ATOM 0 H LYS A 86 -12.853 -1.581 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.751 -3.909 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.468 -2.735 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.228 -2.224 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.692 -5.107 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.238 -4.288 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.656 -5.202 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.654 -3.911 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.697 -5.709 -5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.018 -6.826 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.886 -6.482 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.393 -5.709 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.988 -4.792 -7.700 1.00 0.00 H new ATOM 703 N LYS A 87 -13.524 -1.233 -6.374 1.00 0.00 N ATOM 704 CA LYS A 87 -13.841 -0.612 -7.651 1.00 0.00 C ATOM 705 C LYS A 87 -13.059 -1.121 -8.869 1.00 0.00 C ATOM 706 O LYS A 87 -13.614 -1.122 -9.965 1.00 0.00 O ATOM 707 CB LYS A 87 -13.748 0.923 -7.543 1.00 0.00 C ATOM 708 CG LYS A 87 -12.989 1.523 -6.345 1.00 0.00 C ATOM 709 CD LYS A 87 -12.946 3.050 -6.469 1.00 0.00 C ATOM 710 CE LYS A 87 -14.237 3.772 -6.057 1.00 0.00 C ATOM 711 NZ LYS A 87 -14.061 5.240 -6.120 1.00 0.00 N ATOM 0 H LYS A 87 -13.471 -0.542 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.867 -0.921 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.278 1.293 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.764 1.318 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.478 1.238 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.976 1.123 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.126 3.426 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.717 3.309 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.053 3.471 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.517 3.478 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.256 5.653 -5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.084 5.461 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.719 5.639 -6.819 1.00 0.00 H new ATOM 712 N GLU A 88 -11.769 -1.438 -8.716 1.00 0.00 N ATOM 713 CA GLU A 88 -10.819 -1.842 -9.757 1.00 0.00 C ATOM 714 C GLU A 88 -10.345 -0.606 -10.514 1.00 0.00 C ATOM 715 O GLU A 88 -9.152 -0.356 -10.648 1.00 0.00 O ATOM 716 CB GLU A 88 -11.407 -2.893 -10.720 1.00 0.00 C ATOM 717 CG GLU A 88 -10.375 -3.438 -11.727 1.00 0.00 C ATOM 718 CD GLU A 88 -11.004 -3.741 -13.085 1.00 0.00 C ATOM 719 OE1 GLU A 88 -12.209 -4.067 -13.110 1.00 0.00 O ATOM 720 OE2 GLU A 88 -10.277 -3.583 -14.091 1.00 0.00 O ATOM 0 H GLU A 88 -11.330 -1.417 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.969 -2.321 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.812 -3.722 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.240 -2.450 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.573 -2.711 -11.853 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.922 -4.345 -11.327 1.00 0.00 H new ATOM 721 N LYS A 89 -11.301 0.164 -11.012 1.00 0.00 N ATOM 722 CA LYS A 89 -11.047 1.213 -11.991 1.00 0.00 C ATOM 723 C LYS A 89 -10.132 2.292 -11.412 1.00 0.00 C ATOM 724 O LYS A 89 -9.131 2.651 -12.025 1.00 0.00 O ATOM 725 CB LYS A 89 -12.361 1.757 -12.544 1.00 0.00 C ATOM 726 CG LYS A 89 -12.893 0.954 -13.747 1.00 0.00 C ATOM 727 CD LYS A 89 -13.067 -0.548 -13.460 1.00 0.00 C ATOM 728 CE LYS A 89 -13.540 -1.356 -14.677 1.00 0.00 C ATOM 729 NZ LYS A 89 -14.909 -1.005 -15.109 1.00 0.00 N ATOM 0 H LYS A 89 -12.282 0.079 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.508 0.791 -12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.110 1.752 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.220 2.796 -12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.853 1.370 -14.054 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.209 1.078 -14.586 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.118 -0.955 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.785 -0.674 -12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.851 -1.191 -15.505 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.502 -2.419 -14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.172 -1.583 -15.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.576 -1.187 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.944 0.002 -15.367 1.00 0.00 H new ATOM 730 N ASP A 90 -10.455 2.803 -10.224 1.00 0.00 N ATOM 731 CA ASP A 90 -9.615 3.804 -9.580 1.00 0.00 C ATOM 732 C ASP A 90 -8.255 3.212 -9.205 1.00 0.00 C ATOM 733 O ASP A 90 -7.213 3.798 -9.481 1.00 0.00 O ATOM 734 CB ASP A 90 -10.326 4.326 -8.339 1.00 0.00 C ATOM 735 CG ASP A 90 -11.500 5.247 -8.649 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.841 5.396 -9.843 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.094 5.751 -7.672 1.00 0.00 O ATOM 0 H ASP A 90 -11.286 2.541 -9.694 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.441 4.626 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.684 3.480 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.608 4.863 -7.718 1.00 0.00 H new ATOM 738 N ARG A 91 -8.283 2.041 -8.569 1.00 0.00 N ATOM 739 CA ARG A 91 -7.110 1.233 -8.235 1.00 0.00 C ATOM 740 C ARG A 91 -6.135 1.158 -9.412 1.00 0.00 C ATOM 741 O ARG A 91 -4.938 1.373 -9.244 1.00 0.00 O ATOM 742 CB ARG A 91 -7.582 -0.149 -7.771 1.00 0.00 C ATOM 743 CG ARG A 91 -6.496 -0.953 -7.065 1.00 0.00 C ATOM 744 CD ARG A 91 -7.068 -2.267 -6.524 1.00 0.00 C ATOM 745 NE ARG A 91 -7.353 -3.212 -7.614 1.00 0.00 N ATOM 746 CZ ARG A 91 -8.436 -4.001 -7.738 1.00 0.00 C ATOM 747 NH1 ARG A 91 -9.525 -3.826 -6.980 1.00 0.00 N ATOM 748 NH2 ARG A 91 -8.428 -4.973 -8.657 1.00 0.00 N ATOM 0 H ARG A 91 -9.156 1.613 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.556 1.700 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.430 -0.028 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.938 -0.712 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.681 -1.162 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.076 -0.368 -6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.360 -2.715 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.982 -2.066 -5.965 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.655 -3.276 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.549 -3.079 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.331 -4.440 -7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.609 -5.107 -9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.241 -5.580 -8.764 1.00 0.00 H new ATOM 749 N ASN A 92 -6.662 0.895 -10.608 1.00 0.00 N ATOM 750 CA ASN A 92 -5.910 0.838 -11.857 1.00 0.00 C ATOM 751 C ASN A 92 -5.027 2.082 -12.065 1.00 0.00 C ATOM 752 O ASN A 92 -3.965 1.980 -12.680 1.00 0.00 O ATOM 753 CB ASN A 92 -6.893 0.660 -13.030 1.00 0.00 C ATOM 754 CG ASN A 92 -6.308 -0.100 -14.215 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.976 -0.953 -14.808 1.00 0.00 O ATOM 756 ND2 ASN A 92 -5.061 0.188 -14.558 1.00 0.00 N ATOM 0 H ASN A 92 -7.657 0.710 -10.736 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.234 -0.015 -11.810 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.778 0.132 -12.673 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.222 1.643 -13.368 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.620 -0.302 -15.337 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.542 0.899 -14.043 1.00 0.00 H new ATOM 757 N ASP A 93 -5.488 3.247 -11.595 1.00 0.00 N ATOM 758 CA ASP A 93 -4.831 4.544 -11.718 1.00 0.00 C ATOM 759 C ASP A 93 -3.925 4.787 -10.510 1.00 0.00 C ATOM 760 O ASP A 93 -2.732 5.063 -10.640 1.00 0.00 O ATOM 761 CB ASP A 93 -5.923 5.620 -11.833 1.00 0.00 C ATOM 762 CG ASP A 93 -5.454 6.821 -12.630 1.00 0.00 C ATOM 763 OD1 ASP A 93 -4.774 7.691 -12.044 1.00 0.00 O ATOM 764 OD2 ASP A 93 -5.807 6.851 -13.829 1.00 0.00 O ATOM 0 H ASP A 93 -6.374 3.309 -11.094 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.200 4.577 -12.606 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.806 5.192 -12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.222 5.941 -10.835 1.00 0.00 H new ATOM 765 N LEU A 94 -4.498 4.625 -9.314 1.00 0.00 N ATOM 766 CA LEU A 94 -3.788 4.731 -8.047 1.00 0.00 C ATOM 767 C LEU A 94 -2.492 3.919 -8.077 1.00 0.00 C ATOM 768 O LEU A 94 -1.438 4.450 -7.740 1.00 0.00 O ATOM 769 CB LEU A 94 -4.719 4.329 -6.894 1.00 0.00 C ATOM 770 CG LEU A 94 -4.014 4.171 -5.539 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.177 5.388 -5.121 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.010 3.908 -4.428 1.00 0.00 C ATOM 0 H LEU A 94 -5.489 4.412 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.493 5.767 -7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.503 5.080 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.208 3.388 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.344 3.324 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.713 5.195 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.402 5.570 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.821 6.264 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.480 3.801 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.708 4.742 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.560 2.991 -4.642 1.00 0.00 H new ATOM 773 N ILE A 95 -2.535 2.651 -8.490 1.00 0.00 N ATOM 774 CA ILE A 95 -1.332 1.834 -8.529 1.00 0.00 C ATOM 775 C ILE A 95 -0.264 2.478 -9.417 1.00 0.00 C ATOM 776 O ILE A 95 0.876 2.602 -8.978 1.00 0.00 O ATOM 777 CB ILE A 95 -1.668 0.393 -8.935 1.00 0.00 C ATOM 778 CG1 ILE A 95 -2.545 -0.255 -7.845 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.358 -0.395 -9.112 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.182 -1.546 -8.347 1.00 0.00 C ATOM 0 H ILE A 95 -3.383 2.176 -8.798 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.905 1.781 -7.527 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.219 0.385 -9.876 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.939 -0.464 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.324 0.443 -7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.587 -1.421 -9.401 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.247 0.074 -9.888 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.195 -0.397 -8.173 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.795 -1.981 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.807 -1.330 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.401 -2.251 -8.630 1.00 0.00 H new ATOM 781 N THR A 96 -0.613 2.911 -10.634 1.00 0.00 N ATOM 782 CA THR A 96 0.335 3.612 -11.491 1.00 0.00 C ATOM 783 C THR A 96 0.933 4.810 -10.751 1.00 0.00 C ATOM 784 O THR A 96 2.151 4.984 -10.726 1.00 0.00 O ATOM 785 CB THR A 96 -0.345 4.104 -12.773 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.038 3.082 -13.450 1.00 0.00 O ATOM 787 CG2 THR A 96 0.696 4.708 -13.722 1.00 0.00 C ATOM 0 H THR A 96 -1.540 2.787 -11.041 1.00 0.00 H new ATOM 0 HA THR A 96 1.126 2.911 -11.755 1.00 0.00 H new ATOM 0 HB THR A 96 -1.073 4.857 -12.469 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.513 2.255 -13.419 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.203 5.055 -14.630 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.189 5.548 -13.234 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.437 3.951 -13.978 1.00 0.00 H new ATOM 788 N TYR A 97 0.074 5.655 -10.169 1.00 0.00 N ATOM 789 CA TYR A 97 0.532 6.833 -9.451 1.00 0.00 C ATOM 790 C TYR A 97 1.534 6.432 -8.368 1.00 0.00 C ATOM 791 O TYR A 97 2.620 7.005 -8.300 1.00 0.00 O ATOM 792 CB TYR A 97 -0.654 7.604 -8.858 1.00 0.00 C ATOM 793 CG TYR A 97 -0.234 8.653 -7.848 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.346 9.855 -8.290 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.224 8.338 -6.475 1.00 0.00 C ATOM 796 CE1 TYR A 97 0.916 10.745 -7.364 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.374 9.214 -5.553 1.00 0.00 C ATOM 798 CZ TYR A 97 0.938 10.420 -5.998 1.00 0.00 C ATOM 799 OH TYR A 97 1.469 11.300 -5.103 1.00 0.00 O ATOM 0 H TYR A 97 -0.939 5.539 -10.185 1.00 0.00 H new ATOM 0 HA TYR A 97 1.037 7.498 -10.152 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.207 8.085 -9.665 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.335 6.900 -8.380 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.353 10.095 -9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.677 7.420 -6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.338 11.680 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.400 8.960 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 97 1.407 10.925 -4.200 1.00 0.00 H new ATOM 800 N LEU A 98 1.161 5.456 -7.536 1.00 0.00 N ATOM 801 CA LEU A 98 2.002 4.947 -6.462 1.00 0.00 C ATOM 802 C LEU A 98 3.349 4.553 -7.050 1.00 0.00 C ATOM 803 O LEU A 98 4.378 5.096 -6.667 1.00 0.00 O ATOM 804 CB LEU A 98 1.336 3.739 -5.773 1.00 0.00 C ATOM 805 CG LEU A 98 1.481 3.721 -4.251 1.00 0.00 C ATOM 806 CD1 LEU A 98 0.480 4.719 -3.704 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.129 2.344 -3.670 1.00 0.00 C ATOM 0 H LEU A 98 0.253 4.994 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 98 2.141 5.720 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.276 3.732 -6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.766 2.823 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 98 2.511 3.958 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.546 4.742 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.700 5.710 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.527 4.424 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.243 2.366 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.098 2.096 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.796 1.591 -4.089 1.00 0.00 H new ATOM 808 N LYS A 99 3.312 3.630 -8.010 1.00 0.00 N ATOM 809 CA LYS A 99 4.475 3.100 -8.679 1.00 0.00 C ATOM 810 C LYS A 99 5.395 4.218 -9.147 1.00 0.00 C ATOM 811 O LYS A 99 6.573 4.201 -8.817 1.00 0.00 O ATOM 812 CB LYS A 99 4.018 2.169 -9.805 1.00 0.00 C ATOM 813 CG LYS A 99 5.226 1.581 -10.532 1.00 0.00 C ATOM 814 CD LYS A 99 4.815 0.291 -11.240 1.00 0.00 C ATOM 815 CE LYS A 99 5.943 -0.217 -12.143 1.00 0.00 C ATOM 816 NZ LYS A 99 5.591 -1.522 -12.735 1.00 0.00 N ATOM 0 H LYS A 99 2.439 3.225 -8.346 1.00 0.00 H new ATOM 0 HA LYS A 99 5.073 2.509 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.405 1.366 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.394 2.719 -10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.613 2.298 -11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.028 1.379 -9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.564 -0.470 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.918 0.467 -11.834 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.135 0.507 -12.935 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.863 -0.310 -11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.255 -1.745 -13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.646 -2.261 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.624 -1.481 -13.114 1.00 0.00 H new ATOM 817 N LYS A 100 4.865 5.210 -9.863 1.00 0.00 N ATOM 818 CA LYS A 100 5.702 6.280 -10.371 1.00 0.00 C ATOM 819 C LYS A 100 6.293 7.077 -9.210 1.00 0.00 C ATOM 820 O LYS A 100 7.483 7.384 -9.177 1.00 0.00 O ATOM 821 CB LYS A 100 4.871 7.182 -11.289 1.00 0.00 C ATOM 822 CG LYS A 100 5.767 7.663 -12.431 1.00 0.00 C ATOM 823 CD LYS A 100 5.071 8.744 -13.264 1.00 0.00 C ATOM 824 CE LYS A 100 5.992 9.169 -14.417 1.00 0.00 C ATOM 825 NZ LYS A 100 5.436 10.298 -15.188 1.00 0.00 N ATOM 0 H LYS A 100 3.876 5.289 -10.098 1.00 0.00 H new ATOM 0 HA LYS A 100 6.527 5.860 -10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.014 6.636 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.478 8.032 -10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.699 8.057 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.029 6.820 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.128 8.365 -13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.832 9.604 -12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.966 9.449 -14.017 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.153 8.321 -15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.091 10.550 -15.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.518 10.023 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.306 11.117 -14.560 1.00 0.00 H new ATOM 826 N ALA A 101 5.423 7.438 -8.269 1.00 0.00 N ATOM 827 CA ALA A 101 5.772 8.227 -7.100 1.00 0.00 C ATOM 828 C ALA A 101 6.853 7.561 -6.244 1.00 0.00 C ATOM 829 O ALA A 101 7.659 8.260 -5.628 1.00 0.00 O ATOM 830 CB ALA A 101 4.505 8.511 -6.292 1.00 0.00 C ATOM 0 H ALA A 101 4.436 7.182 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 101 6.204 9.170 -7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.759 9.103 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.796 9.063 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.055 7.569 -5.978 1.00 0.00 H new ATOM 831 N SER A 102 6.862 6.229 -6.188 1.00 0.00 N ATOM 832 CA SER A 102 7.809 5.446 -5.410 1.00 0.00 C ATOM 833 C SER A 102 8.592 4.454 -6.279 1.00 0.00 C ATOM 834 O SER A 102 8.855 3.333 -5.837 1.00 0.00 O ATOM 835 CB SER A 102 7.064 4.767 -4.259 1.00 0.00 C ATOM 836 OG SER A 102 5.994 3.936 -4.663 1.00 0.00 O ATOM 0 H SER A 102 6.191 5.654 -6.698 1.00 0.00 H new ATOM 0 HA SER A 102 8.564 6.110 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.774 4.171 -3.685 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.678 5.535 -3.589 1.00 0.00 H new ATOM 0 HG SER A 102 5.425 4.421 -5.297 1.00 0.00 H new ATOM 837 N GLU A 103 8.976 4.878 -7.486 1.00 0.00 N ATOM 838 CA GLU A 103 9.743 4.052 -8.413 1.00 0.00 C ATOM 839 C GLU A 103 11.195 3.963 -7.912 1.00 0.00 C ATOM 840 O GLU A 103 11.693 2.827 -7.734 1.00 0.00 O ATOM 841 CB GLU A 103 9.651 4.652 -9.829 1.00 0.00 C ATOM 842 CG GLU A 103 9.793 3.632 -10.971 1.00 0.00 C ATOM 843 CD GLU A 103 8.467 2.994 -11.386 1.00 0.00 C ATOM 844 OE1 GLU A 103 7.649 3.725 -11.990 1.00 0.00 O ATOM 845 OE2 GLU A 103 8.300 1.777 -11.151 1.00 0.00 O ATOM 846 OXT GLU A 103 11.786 5.045 -7.695 1.00 0.00 O ATOM 0 H GLU A 103 8.761 5.808 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 103 9.339 3.041 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.692 5.160 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.427 5.410 -9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.236 4.126 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.484 2.847 -10.663 1.00 0.00 H new TER 847 GLU A 103 HETATM 848 C CYN A 105 -3.382 -0.685 3.662 1.00 0.00 C HETATM 849 N CYN A 105 -4.287 -1.545 3.499 1.00 0.00 N HETATM 850 FE HEM A 104 -2.138 0.669 3.848 1.00 0.00 FE HETATM 851 CHA HEM A 104 0.189 -1.717 4.935 1.00 0.00 C HETATM 852 CHB HEM A 104 -0.943 0.315 0.620 1.00 0.00 C HETATM 853 CHC HEM A 104 -4.666 2.735 2.764 1.00 0.00 C HETATM 854 CHD HEM A 104 -3.021 1.269 7.140 1.00 0.00 C HETATM 855 NA HEM A 104 -0.694 -0.553 2.928 1.00 0.00 N HETATM 856 C1A HEM A 104 0.107 -1.457 3.571 1.00 0.00 C HETATM 857 C2A HEM A 104 0.958 -2.075 2.582 1.00 0.00 C HETATM 858 C3A HEM A 104 0.652 -1.494 1.369 1.00 0.00 C HETATM 859 C4A HEM A 104 -0.382 -0.509 1.603 1.00 0.00 C HETATM 860 CMA HEM A 104 1.230 -1.878 0.028 1.00 0.00 C HETATM 861 CAA HEM A 104 2.030 -3.112 2.857 1.00 0.00 C HETATM 862 CBA HEM A 104 3.312 -2.534 3.475 1.00 0.00 C HETATM 863 CGA HEM A 104 4.391 -3.581 3.763 1.00 0.00 C HETATM 864 O1A HEM A 104 5.446 -3.180 4.297 1.00 0.00 O HETATM 865 O2A HEM A 104 4.159 -4.774 3.470 1.00 0.00 O HETATM 866 NB HEM A 104 -2.696 1.406 2.023 1.00 0.00 N HETATM 867 C1B HEM A 104 -2.026 1.178 0.852 1.00 0.00 C HETATM 868 C2B HEM A 104 -2.627 2.029 -0.149 1.00 0.00 C HETATM 869 C3B HEM A 104 -3.716 2.647 0.431 1.00 0.00 C HETATM 870 C4B HEM A 104 -3.739 2.264 1.824 1.00 0.00 C HETATM 871 CMB HEM A 104 -2.064 2.301 -1.528 1.00 0.00 C HETATM 872 CAB HEM A 104 -4.719 3.544 -0.266 1.00 0.00 C HETATM 873 CBB HEM A 104 -5.610 2.757 -1.222 1.00 0.00 C HETATM 874 NC HEM A 104 -3.632 1.763 4.789 1.00 0.00 N HETATM 875 C1C HEM A 104 -4.560 2.515 4.138 1.00 0.00 C HETATM 876 C2C HEM A 104 -5.416 3.114 5.139 1.00 0.00 C HETATM 877 C3C HEM A 104 -4.903 2.769 6.372 1.00 0.00 C HETATM 878 C4C HEM A 104 -3.796 1.865 6.139 1.00 0.00 C HETATM 879 CMC HEM A 104 -6.601 4.024 4.902 1.00 0.00 C HETATM 880 CAC HEM A 104 -5.286 3.385 7.706 1.00 0.00 C HETATM 881 CBC HEM A 104 -6.756 3.223 8.094 1.00 0.00 C HETATM 882 ND HEM A 104 -1.511 -0.066 5.696 1.00 0.00 N HETATM 883 C1D HEM A 104 -1.985 0.369 6.896 1.00 0.00 C HETATM 884 C2D HEM A 104 -1.231 -0.298 7.935 1.00 0.00 C HETATM 885 C3D HEM A 104 -0.334 -1.138 7.314 1.00 0.00 C HETATM 886 C4D HEM A 104 -0.534 -1.004 5.891 1.00 0.00 C HETATM 887 CMD HEM A 104 -1.408 -0.094 9.419 1.00 0.00 C HETATM 888 CAD HEM A 104 0.636 -2.099 7.965 1.00 0.00 C HETATM 889 CBD HEM A 104 0.059 -3.510 7.974 1.00 0.00 C HETATM 890 CGD HEM A 104 1.064 -4.580 8.368 1.00 0.00 C HETATM 891 O1D HEM A 104 0.671 -5.462 9.160 1.00 0.00 O HETATM 892 O2D HEM A 104 2.196 -4.522 7.843 1.00 0.00 O HETATM 0 HMA1 HEM A 104 2.266 -2.191 0.155 1.00 0.00 H new HETATM 0 HMA2 HEM A 104 1.189 -1.021 -0.645 1.00 0.00 H new HETATM 0 HMA3 HEM A 104 0.652 -2.699 -0.396 1.00 0.00 H new HETATM 0 HMB1 HEM A 104 -2.881 2.494 -2.223 1.00 0.00 H new HETATM 0 HMB2 HEM A 104 -1.497 1.434 -1.867 1.00 0.00 H new HETATM 0 HMB3 HEM A 104 -1.408 3.171 -1.488 1.00 0.00 H new HETATM 0 HMC1 HEM A 104 -6.444 4.595 3.987 1.00 0.00 H new HETATM 0 HMC2 HEM A 104 -6.708 4.709 5.743 1.00 0.00 H new HETATM 0 HMC3 HEM A 104 -7.506 3.425 4.804 1.00 0.00 H new HETATM 0 HMD1 HEM A 104 -1.748 0.924 9.608 1.00 0.00 H new HETATM 0 HMD2 HEM A 104 -0.457 -0.259 9.925 1.00 0.00 H new HETATM 0 HMD3 HEM A 104 -2.147 -0.800 9.798 1.00 0.00 H new HETATM 0 HBB1 HEM A 104 -6.381 3.271 -1.796 1.00 0.00 H new HETATM 0 HBB2 HEM A 104 -5.475 1.681 -1.331 1.00 0.00 H new HETATM 0 HBC1 HEM A 104 -7.120 3.634 9.036 1.00 0.00 H new HETATM 0 HBC2 HEM A 104 -7.440 2.696 7.429 1.00 0.00 H new HETATM 0 HBA1 HEM A 104 3.057 -2.024 4.404 1.00 0.00 H new HETATM 0 HBA2 HEM A 104 3.721 -1.782 2.801 1.00 0.00 H new HETATM 0 HAA1 HEM A 104 2.283 -3.615 1.924 1.00 0.00 H new HETATM 0 HAA2 HEM A 104 1.625 -3.870 3.528 1.00 0.00 H new HETATM 0 HBD1 HEM A 104 -0.332 -3.739 6.983 1.00 0.00 H new HETATM 0 HBD2 HEM A 104 -0.784 -3.544 8.665 1.00 0.00 H new HETATM 0 HAD1 HEM A 104 0.846 -1.778 8.985 1.00 0.00 H new HETATM 0 HAD2 HEM A 104 1.584 -2.090 7.426 1.00 0.00 H new HETATM 0 HHA HEM A 104 0.843 -2.508 5.270 1.00 0.00 H new HETATM 0 HHB HEM A 104 -0.519 0.285 -0.373 1.00 0.00 H new HETATM 0 HHC HEM A 104 -5.512 3.301 2.404 1.00 0.00 H new HETATM 0 HHD HEM A 104 -3.239 1.522 8.167 1.00 0.00 H new HETATM 0 HAB HEM A 104 -4.795 4.619 -0.104 1.00 0.00 H new HETATM 0 HAC HEM A 104 -4.567 3.904 8.340 1.00 0.00 H new