USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 703 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 27 HIS HE2 : A 27 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD NoAdj-H: A 87 HIS HE2 : A 87 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD Set 1.1: A 72 TYR OH : rot 130:sc= 0.275 USER MOD Set 1.2: A 74 SER OG : rot 105:sc= 0.288 USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -54:sc= 0.642 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -2 K(o=-2,f=-2.7!) USER MOD Single : A 10 LYS NZ :NH3+ -149:sc= -0.2 (180deg=-0.919) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -0.027 (180deg=-0.657) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 178:sc= 0 (180deg=-0.00265) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 143:sc= -0.231 (180deg=-1.15) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 150:sc= -0.0745 USER MOD Single : A 50 SER OG : rot -71:sc= 0.231 USER MOD Single : A 51 SER OG : rot 8:sc= -1.76 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -56:sc= 0.0614 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00723 X(o=-0.0072,f=-0.28) USER MOD Single : A 76 ASN : amide:sc= -0.241 K(o=-0.24,f=-4.6!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 71:sc= 0.528 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.342 -17.804 13.982 1.00 0.00 N ATOM 2 CA GLY A 1 36.474 -17.054 13.094 1.00 0.00 C ATOM 3 C GLY A 1 35.037 -17.022 13.577 1.00 0.00 C ATOM 4 O GLY A 1 34.717 -16.336 14.548 1.00 0.00 O ATOM 0 H1 GLY A 1 38.312 -17.796 13.608 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.332 -17.369 14.927 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.005 -18.786 14.049 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.846 -16.034 13.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.509 -17.496 12.098 1.00 0.00 H new ATOM 8 N SER A 2 34.169 -17.764 12.897 1.00 0.00 N ATOM 9 CA SER A 2 32.758 -17.813 13.259 1.00 0.00 C ATOM 10 C SER A 2 32.139 -16.419 13.224 1.00 0.00 C ATOM 11 O SER A 2 31.435 -16.017 14.150 1.00 0.00 O ATOM 12 CB SER A 2 32.588 -18.424 14.652 1.00 0.00 C ATOM 13 OG SER A 2 31.218 -18.540 14.994 1.00 0.00 O ATOM 0 H SER A 2 34.418 -18.339 12.092 1.00 0.00 H new ATOM 0 HA SER A 2 32.243 -18.439 12.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.058 -19.407 14.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.099 -17.805 15.389 1.00 0.00 H new ATOM 0 HG SER A 2 30.783 -17.667 14.903 1.00 0.00 H new ATOM 19 N SER A 3 32.407 -15.686 12.148 1.00 0.00 N ATOM 20 CA SER A 3 31.880 -14.336 11.992 1.00 0.00 C ATOM 21 C SER A 3 30.381 -14.301 12.274 1.00 0.00 C ATOM 22 O SER A 3 29.929 -13.647 13.212 1.00 0.00 O ATOM 23 CB SER A 3 32.157 -13.817 10.580 1.00 0.00 C ATOM 24 OG SER A 3 33.549 -13.681 10.351 1.00 0.00 O ATOM 0 H SER A 3 32.986 -16.005 11.371 1.00 0.00 H new ATOM 0 HA SER A 3 32.383 -13.692 12.713 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.730 -14.502 9.847 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.666 -12.854 10.440 1.00 0.00 H new ATOM 0 HG SER A 3 33.700 -13.350 9.441 1.00 0.00 H new ATOM 30 N GLY A 4 29.614 -15.012 11.452 1.00 0.00 N ATOM 31 CA GLY A 4 28.174 -15.050 11.628 1.00 0.00 C ATOM 32 C GLY A 4 27.456 -14.049 10.746 1.00 0.00 C ATOM 33 O GLY A 4 28.091 -13.255 10.051 1.00 0.00 O ATOM 0 H GLY A 4 29.965 -15.562 10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.810 -16.053 11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.933 -14.848 12.672 1.00 0.00 H new ATOM 37 N SER A 5 26.128 -14.085 10.772 1.00 0.00 N ATOM 38 CA SER A 5 25.322 -13.177 9.964 1.00 0.00 C ATOM 39 C SER A 5 23.843 -13.303 10.317 1.00 0.00 C ATOM 40 O SER A 5 23.439 -14.223 11.029 1.00 0.00 O ATOM 41 CB SER A 5 25.529 -13.464 8.476 1.00 0.00 C ATOM 42 OG SER A 5 25.149 -12.352 7.684 1.00 0.00 O ATOM 0 H SER A 5 25.587 -14.733 11.344 1.00 0.00 H new ATOM 0 HA SER A 5 25.643 -12.158 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.576 -13.705 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.945 -14.337 8.186 1.00 0.00 H new ATOM 0 HG SER A 5 25.293 -12.560 6.737 1.00 0.00 H new ATOM 48 N SER A 6 23.039 -12.372 9.813 1.00 0.00 N ATOM 49 CA SER A 6 21.605 -12.376 10.077 1.00 0.00 C ATOM 50 C SER A 6 20.844 -13.044 8.935 1.00 0.00 C ATOM 51 O SER A 6 21.430 -13.425 7.923 1.00 0.00 O ATOM 52 CB SER A 6 21.098 -10.946 10.275 1.00 0.00 C ATOM 53 OG SER A 6 21.505 -10.108 9.207 1.00 0.00 O ATOM 0 H SER A 6 23.356 -11.605 9.220 1.00 0.00 H new ATOM 0 HA SER A 6 21.430 -12.946 10.989 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.010 -10.949 10.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.477 -10.550 11.217 1.00 0.00 H new ATOM 0 HG SER A 6 21.167 -9.200 9.356 1.00 0.00 H new ATOM 59 N GLY A 7 19.533 -13.182 9.107 1.00 0.00 N ATOM 60 CA GLY A 7 18.712 -13.804 8.085 1.00 0.00 C ATOM 61 C GLY A 7 17.258 -13.387 8.176 1.00 0.00 C ATOM 62 O GLY A 7 16.420 -14.096 8.733 1.00 0.00 O ATOM 0 H GLY A 7 19.025 -12.874 9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.101 -13.541 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.782 -14.888 8.177 1.00 0.00 H new ATOM 66 N PRO A 8 16.940 -12.208 7.620 1.00 0.00 N ATOM 67 CA PRO A 8 15.577 -11.671 7.629 1.00 0.00 C ATOM 68 C PRO A 8 14.636 -12.461 6.726 1.00 0.00 C ATOM 69 O PRO A 8 14.947 -13.579 6.315 1.00 0.00 O ATOM 70 CB PRO A 8 15.754 -10.245 7.099 1.00 0.00 C ATOM 71 CG PRO A 8 16.995 -10.298 6.276 1.00 0.00 C ATOM 72 CD PRO A 8 17.888 -11.310 6.939 1.00 0.00 C ATOM 0 HA PRO A 8 15.127 -11.720 8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.896 -9.935 6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.850 -9.529 7.915 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.771 -10.588 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.477 -9.321 6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.497 -11.846 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.574 -10.840 7.644 1.00 0.00 H new ATOM 80 N HIS A 9 13.484 -11.873 6.419 1.00 0.00 N ATOM 81 CA HIS A 9 12.498 -12.522 5.563 1.00 0.00 C ATOM 82 C HIS A 9 13.003 -12.616 4.126 1.00 0.00 C ATOM 83 O HIS A 9 12.945 -11.644 3.372 1.00 0.00 O ATOM 84 CB HIS A 9 11.175 -11.757 5.602 1.00 0.00 C ATOM 85 CG HIS A 9 10.477 -11.835 6.925 1.00 0.00 C ATOM 86 ND1 HIS A 9 9.238 -12.416 7.090 1.00 0.00 N ATOM 87 CD2 HIS A 9 10.853 -11.401 8.151 1.00 0.00 C ATOM 88 CE1 HIS A 9 8.881 -12.336 8.359 1.00 0.00 C ATOM 89 NE2 HIS A 9 9.844 -11.724 9.025 1.00 0.00 N ATOM 0 H HIS A 9 13.211 -10.948 6.751 1.00 0.00 H new ATOM 0 HA HIS A 9 12.336 -13.532 5.939 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.362 -10.711 5.360 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.515 -12.149 4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.775 -10.895 8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.959 -12.708 8.781 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.839 -11.524 10.025 1.00 0.00 H new ATOM 97 N LYS A 10 13.499 -13.791 3.754 1.00 0.00 N ATOM 98 CA LYS A 10 14.014 -14.012 2.408 1.00 0.00 C ATOM 99 C LYS A 10 13.097 -14.943 1.621 1.00 0.00 C ATOM 100 O LYS A 10 12.825 -16.067 2.044 1.00 0.00 O ATOM 101 CB LYS A 10 15.425 -14.601 2.470 1.00 0.00 C ATOM 102 CG LYS A 10 16.168 -14.543 1.147 1.00 0.00 C ATOM 103 CD LYS A 10 17.042 -13.304 1.052 1.00 0.00 C ATOM 104 CE LYS A 10 18.264 -13.549 0.180 1.00 0.00 C ATOM 105 NZ LYS A 10 19.121 -14.641 0.720 1.00 0.00 N ATOM 0 H LYS A 10 13.555 -14.605 4.366 1.00 0.00 H new ATOM 0 HA LYS A 10 14.051 -13.050 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.001 -14.064 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.362 -15.639 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.786 -15.434 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.451 -14.548 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.461 -12.478 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.360 -13.005 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.944 -13.804 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.848 -12.631 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 20.115 -14.456 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.022 -14.681 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.826 -15.549 0.308 1.00 0.00 H new ATOM 119 N CYS A 11 12.624 -14.469 0.473 1.00 0.00 N ATOM 120 CA CYS A 11 11.739 -15.259 -0.374 1.00 0.00 C ATOM 121 C CYS A 11 12.284 -16.671 -0.564 1.00 0.00 C ATOM 122 O CYS A 11 13.416 -16.966 -0.181 1.00 0.00 O ATOM 123 CB CYS A 11 11.562 -14.581 -1.735 1.00 0.00 C ATOM 124 SG CYS A 11 10.052 -15.080 -2.623 1.00 0.00 S ATOM 0 H CYS A 11 12.839 -13.541 0.108 1.00 0.00 H new ATOM 0 HA CYS A 11 10.770 -15.327 0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.546 -13.501 -1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 11 12.428 -14.807 -2.357 1.00 0.00 H new ATOM 129 N GLU A 12 11.471 -17.539 -1.158 1.00 0.00 N ATOM 130 CA GLU A 12 11.873 -18.920 -1.398 1.00 0.00 C ATOM 131 C GLU A 12 11.869 -19.236 -2.891 1.00 0.00 C ATOM 132 O GLU A 12 12.833 -19.788 -3.422 1.00 0.00 O ATOM 133 CB GLU A 12 10.939 -19.881 -0.660 1.00 0.00 C ATOM 134 CG GLU A 12 11.247 -21.347 -0.917 1.00 0.00 C ATOM 135 CD GLU A 12 10.020 -22.230 -0.803 1.00 0.00 C ATOM 136 OE1 GLU A 12 8.941 -21.807 -1.267 1.00 0.00 O ATOM 137 OE2 GLU A 12 10.139 -23.343 -0.249 1.00 0.00 O ATOM 0 H GLU A 12 10.531 -17.311 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 12 12.887 -19.048 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.004 -19.687 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.911 -19.677 -0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.676 -21.455 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.001 -21.686 -0.207 1.00 0.00 H new ATOM 144 N VAL A 13 10.778 -18.883 -3.562 1.00 0.00 N ATOM 145 CA VAL A 13 10.648 -19.127 -4.993 1.00 0.00 C ATOM 146 C VAL A 13 11.853 -18.587 -5.755 1.00 0.00 C ATOM 147 O VAL A 13 12.349 -19.223 -6.685 1.00 0.00 O ATOM 148 CB VAL A 13 9.367 -18.485 -5.559 1.00 0.00 C ATOM 149 CG1 VAL A 13 8.172 -19.402 -5.348 1.00 0.00 C ATOM 150 CG2 VAL A 13 9.126 -17.126 -4.920 1.00 0.00 C ATOM 0 H VAL A 13 9.971 -18.427 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 13 10.593 -20.208 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 13 9.497 -18.339 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.276 -18.932 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.347 -20.350 -5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.035 -19.582 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.217 -16.687 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.016 -17.245 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.972 -16.471 -5.128 1.00 0.00 H new ATOM 160 N CYS A 14 12.320 -17.410 -5.354 1.00 0.00 N ATOM 161 CA CYS A 14 13.467 -16.782 -5.998 1.00 0.00 C ATOM 162 C CYS A 14 14.608 -16.584 -5.004 1.00 0.00 C ATOM 163 O CYS A 14 15.762 -16.890 -5.299 1.00 0.00 O ATOM 164 CB CYS A 14 13.065 -15.436 -6.604 1.00 0.00 C ATOM 165 SG CYS A 14 12.603 -14.175 -5.374 1.00 0.00 S ATOM 0 H CYS A 14 11.921 -16.871 -4.585 1.00 0.00 H new ATOM 0 HA CYS A 14 13.812 -17.443 -6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.893 -15.058 -7.203 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.226 -15.591 -7.282 1.00 0.00 H new ATOM 170 N GLY A 15 14.275 -16.070 -3.824 1.00 0.00 N ATOM 171 CA GLY A 15 15.281 -15.841 -2.804 1.00 0.00 C ATOM 172 C GLY A 15 15.791 -14.413 -2.803 1.00 0.00 C ATOM 173 O GLY A 15 16.988 -14.173 -2.967 1.00 0.00 O ATOM 0 H GLY A 15 13.326 -15.808 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.862 -16.074 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 15 16.117 -16.522 -2.963 1.00 0.00 H new ATOM 177 N LYS A 16 14.881 -13.462 -2.621 1.00 0.00 N ATOM 178 CA LYS A 16 15.244 -12.050 -2.601 1.00 0.00 C ATOM 179 C LYS A 16 15.146 -11.483 -1.188 1.00 0.00 C ATOM 180 O LYS A 16 14.528 -12.085 -0.309 1.00 0.00 O ATOM 181 CB LYS A 16 14.337 -11.255 -3.544 1.00 0.00 C ATOM 182 CG LYS A 16 14.921 -9.918 -3.965 1.00 0.00 C ATOM 183 CD LYS A 16 14.094 -9.271 -5.064 1.00 0.00 C ATOM 184 CE LYS A 16 14.774 -8.025 -5.612 1.00 0.00 C ATOM 185 NZ LYS A 16 13.809 -7.124 -6.301 1.00 0.00 N ATOM 0 H LYS A 16 13.887 -13.644 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 16 16.276 -11.962 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.140 -11.852 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.378 -11.085 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.967 -9.252 -3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.944 -10.060 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.937 -9.986 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.110 -9.009 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.256 -7.486 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.560 -8.317 -6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.311 -6.287 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.368 -7.630 -7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.073 -6.825 -5.630 1.00 0.00 H new ATOM 199 N CYS A 17 15.759 -10.324 -0.977 1.00 0.00 N ATOM 200 CA CYS A 17 15.741 -9.676 0.330 1.00 0.00 C ATOM 201 C CYS A 17 14.609 -8.658 0.416 1.00 0.00 C ATOM 202 O CYS A 17 14.295 -7.978 -0.562 1.00 0.00 O ATOM 203 CB CYS A 17 17.081 -8.991 0.602 1.00 0.00 C ATOM 204 SG CYS A 17 18.491 -10.122 0.648 1.00 0.00 S ATOM 0 H CYS A 17 16.275 -9.813 -1.694 1.00 0.00 H new ATOM 0 HA CYS A 17 15.574 -10.443 1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 17 17.256 -8.240 -0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 17 17.021 -8.463 1.554 1.00 0.00 H new ATOM 0 HG CYS A 17 19.579 -9.450 0.882 1.00 0.00 H new ATOM 210 N PHE A 18 13.997 -8.559 1.592 1.00 0.00 N ATOM 211 CA PHE A 18 12.897 -7.625 1.805 1.00 0.00 C ATOM 212 C PHE A 18 12.908 -7.089 3.233 1.00 0.00 C ATOM 213 O PHE A 18 13.221 -7.814 4.178 1.00 0.00 O ATOM 214 CB PHE A 18 11.558 -8.306 1.514 1.00 0.00 C ATOM 215 CG PHE A 18 11.293 -8.506 0.049 1.00 0.00 C ATOM 216 CD1 PHE A 18 10.911 -7.441 -0.751 1.00 0.00 C ATOM 217 CD2 PHE A 18 11.426 -9.759 -0.528 1.00 0.00 C ATOM 218 CE1 PHE A 18 10.665 -7.623 -2.098 1.00 0.00 C ATOM 219 CE2 PHE A 18 11.182 -9.947 -1.875 1.00 0.00 C ATOM 220 CZ PHE A 18 10.802 -8.877 -2.662 1.00 0.00 C ATOM 0 H PHE A 18 14.244 -9.114 2.412 1.00 0.00 H new ATOM 0 HA PHE A 18 13.027 -6.787 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.535 -9.274 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.754 -7.707 1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.804 -6.458 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.724 -10.599 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.366 -6.785 -2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.288 -10.929 -2.312 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.612 -9.020 -3.716 1.00 0.00 H new ATOM 230 N SER A 19 12.565 -5.813 3.383 1.00 0.00 N ATOM 231 CA SER A 19 12.540 -5.177 4.695 1.00 0.00 C ATOM 232 C SER A 19 11.173 -5.344 5.353 1.00 0.00 C ATOM 233 O SER A 19 11.062 -5.896 6.448 1.00 0.00 O ATOM 234 CB SER A 19 12.881 -3.691 4.571 1.00 0.00 C ATOM 235 OG SER A 19 14.274 -3.501 4.395 1.00 0.00 O ATOM 0 H SER A 19 12.301 -5.200 2.612 1.00 0.00 H new ATOM 0 HA SER A 19 13.288 -5.663 5.322 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.342 -3.260 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.549 -3.162 5.464 1.00 0.00 H new ATOM 0 HG SER A 19 14.466 -2.543 4.317 1.00 0.00 H new ATOM 241 N ARG A 20 10.135 -4.862 4.676 1.00 0.00 N ATOM 242 CA ARG A 20 8.776 -4.956 5.195 1.00 0.00 C ATOM 243 C ARG A 20 8.176 -6.328 4.901 1.00 0.00 C ATOM 244 O ARG A 20 8.569 -6.999 3.947 1.00 0.00 O ATOM 245 CB ARG A 20 7.898 -3.862 4.584 1.00 0.00 C ATOM 246 CG ARG A 20 8.474 -2.464 4.735 1.00 0.00 C ATOM 247 CD ARG A 20 9.384 -2.107 3.571 1.00 0.00 C ATOM 248 NE ARG A 20 9.516 -0.663 3.402 1.00 0.00 N ATOM 249 CZ ARG A 20 10.295 0.098 4.163 1.00 0.00 C ATOM 250 NH1 ARG A 20 11.007 -0.445 5.140 1.00 0.00 N ATOM 251 NH2 ARG A 20 10.362 1.406 3.947 1.00 0.00 N ATOM 0 H ARG A 20 10.210 -4.403 3.768 1.00 0.00 H new ATOM 0 HA ARG A 20 8.816 -4.820 6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.753 -4.074 3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.914 -3.893 5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.662 -1.740 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.033 -2.399 5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.369 -2.544 3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.988 -2.545 2.654 1.00 0.00 H new ATOM 0 HE ARG A 20 8.981 -0.214 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.958 -1.450 5.309 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.604 0.142 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.815 1.828 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.960 1.989 4.532 1.00 0.00 H new ATOM 265 N LYS A 21 7.221 -6.739 5.728 1.00 0.00 N ATOM 266 CA LYS A 21 6.564 -8.030 5.559 1.00 0.00 C ATOM 267 C LYS A 21 5.505 -7.963 4.463 1.00 0.00 C ATOM 268 O LYS A 21 5.502 -8.775 3.538 1.00 0.00 O ATOM 269 CB LYS A 21 5.924 -8.477 6.875 1.00 0.00 C ATOM 270 CG LYS A 21 6.934 -8.826 7.955 1.00 0.00 C ATOM 271 CD LYS A 21 6.314 -9.690 9.040 1.00 0.00 C ATOM 272 CE LYS A 21 7.257 -9.863 10.221 1.00 0.00 C ATOM 273 NZ LYS A 21 6.557 -10.418 11.412 1.00 0.00 N ATOM 0 H LYS A 21 6.884 -6.196 6.523 1.00 0.00 H new ATOM 0 HA LYS A 21 7.320 -8.758 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.273 -7.683 7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.292 -9.345 6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.778 -9.351 7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.326 -7.910 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.383 -9.237 9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.061 -10.667 8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.075 -10.526 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.700 -8.900 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.233 -10.521 12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.792 -9.773 11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.156 -11.348 11.177 1.00 0.00 H new ATOM 287 N ASP A 22 4.608 -6.989 4.574 1.00 0.00 N ATOM 288 CA ASP A 22 3.545 -6.813 3.591 1.00 0.00 C ATOM 289 C ASP A 22 4.088 -6.954 2.172 1.00 0.00 C ATOM 290 O ASP A 22 3.465 -7.584 1.317 1.00 0.00 O ATOM 291 CB ASP A 22 2.882 -5.446 3.764 1.00 0.00 C ATOM 292 CG ASP A 22 3.800 -4.304 3.372 1.00 0.00 C ATOM 293 OD1 ASP A 22 4.988 -4.340 3.755 1.00 0.00 O ATOM 294 OD2 ASP A 22 3.330 -3.374 2.684 1.00 0.00 O ATOM 0 H ASP A 22 4.596 -6.309 5.335 1.00 0.00 H new ATOM 0 HA ASP A 22 2.800 -7.592 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.977 -5.405 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.576 -5.322 4.803 1.00 0.00 H new ATOM 299 N LYS A 23 5.252 -6.362 1.929 1.00 0.00 N ATOM 300 CA LYS A 23 5.880 -6.420 0.614 1.00 0.00 C ATOM 301 C LYS A 23 5.813 -7.832 0.041 1.00 0.00 C ATOM 302 O LYS A 23 5.277 -8.047 -1.047 1.00 0.00 O ATOM 303 CB LYS A 23 7.338 -5.963 0.702 1.00 0.00 C ATOM 304 CG LYS A 23 7.495 -4.489 1.031 1.00 0.00 C ATOM 305 CD LYS A 23 7.316 -3.620 -0.204 1.00 0.00 C ATOM 306 CE LYS A 23 7.412 -2.141 0.137 1.00 0.00 C ATOM 307 NZ LYS A 23 8.822 -1.663 0.142 1.00 0.00 N ATOM 0 H LYS A 23 5.780 -5.836 2.626 1.00 0.00 H new ATOM 0 HA LYS A 23 5.335 -5.750 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.849 -6.553 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.832 -6.169 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.763 -4.204 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.481 -4.314 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.076 -3.874 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.348 -3.828 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.835 -1.564 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.965 -1.964 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.897 -0.810 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.439 -2.406 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.116 -1.439 -0.830 1.00 0.00 H new ATOM 321 N LEU A 24 6.358 -8.792 0.780 1.00 0.00 N ATOM 322 CA LEU A 24 6.358 -10.185 0.346 1.00 0.00 C ATOM 323 C LEU A 24 5.011 -10.567 -0.259 1.00 0.00 C ATOM 324 O LEU A 24 4.942 -11.072 -1.380 1.00 0.00 O ATOM 325 CB LEU A 24 6.680 -11.107 1.524 1.00 0.00 C ATOM 326 CG LEU A 24 6.802 -12.596 1.197 1.00 0.00 C ATOM 327 CD1 LEU A 24 8.141 -12.891 0.540 1.00 0.00 C ATOM 328 CD2 LEU A 24 6.627 -13.434 2.455 1.00 0.00 C ATOM 0 H LEU A 24 6.806 -8.632 1.682 1.00 0.00 H new ATOM 0 HA LEU A 24 7.126 -10.301 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.616 -10.776 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.903 -10.984 2.279 1.00 0.00 H new ATOM 0 HG LEU A 24 6.011 -12.860 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.209 -13.955 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.227 -12.318 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.948 -12.611 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.717 -14.491 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.396 -13.167 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.643 -13.245 2.884 1.00 0.00 H new ATOM 340 N LYS A 25 3.941 -10.321 0.490 1.00 0.00 N ATOM 341 CA LYS A 25 2.594 -10.635 0.027 1.00 0.00 C ATOM 342 C LYS A 25 2.457 -10.371 -1.469 1.00 0.00 C ATOM 343 O LYS A 25 2.256 -11.296 -2.258 1.00 0.00 O ATOM 344 CB LYS A 25 1.562 -9.809 0.798 1.00 0.00 C ATOM 345 CG LYS A 25 1.584 -10.054 2.297 1.00 0.00 C ATOM 346 CD LYS A 25 0.619 -9.134 3.026 1.00 0.00 C ATOM 347 CE LYS A 25 -0.818 -9.612 2.890 1.00 0.00 C ATOM 348 NZ LYS A 25 -1.727 -8.917 3.843 1.00 0.00 N ATOM 0 H LYS A 25 3.981 -9.905 1.420 1.00 0.00 H new ATOM 0 HA LYS A 25 2.412 -11.694 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.741 -8.751 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.567 -10.037 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.323 -11.092 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.594 -9.899 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.889 -9.085 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.707 -8.123 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.162 -9.441 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.861 -10.687 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.697 -9.271 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.414 -9.100 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.706 -7.894 3.659 1.00 0.00 H new ATOM 362 N THR A 26 2.568 -9.104 -1.855 1.00 0.00 N ATOM 363 CA THR A 26 2.457 -8.718 -3.256 1.00 0.00 C ATOM 364 C THR A 26 3.615 -9.279 -4.073 1.00 0.00 C ATOM 365 O THR A 26 3.416 -9.810 -5.167 1.00 0.00 O ATOM 366 CB THR A 26 2.425 -7.187 -3.416 1.00 0.00 C ATOM 367 OG1 THR A 26 1.383 -6.631 -2.606 1.00 0.00 O ATOM 368 CG2 THR A 26 2.204 -6.800 -4.871 1.00 0.00 C ATOM 0 H THR A 26 2.735 -8.327 -1.216 1.00 0.00 H new ATOM 0 HA THR A 26 1.520 -9.134 -3.626 1.00 0.00 H new ATOM 0 HB THR A 26 3.387 -6.790 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.371 -5.657 -2.712 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.185 -5.714 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.014 -7.200 -5.481 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.254 -7.209 -5.216 1.00 0.00 H new ATOM 376 N HIS A 27 4.825 -9.159 -3.537 1.00 0.00 N ATOM 377 CA HIS A 27 6.016 -9.656 -4.217 1.00 0.00 C ATOM 378 C HIS A 27 5.720 -10.964 -4.945 1.00 0.00 C ATOM 379 O HIS A 27 6.337 -11.272 -5.965 1.00 0.00 O ATOM 380 CB HIS A 27 7.153 -9.862 -3.216 1.00 0.00 C ATOM 381 CG HIS A 27 8.318 -10.617 -3.779 1.00 0.00 C ATOM 382 ND1 HIS A 27 9.032 -10.188 -4.878 1.00 0.00 N ATOM 383 CD2 HIS A 27 8.893 -11.777 -3.388 1.00 0.00 C ATOM 384 CE1 HIS A 27 9.995 -11.054 -5.140 1.00 0.00 C ATOM 385 NE2 HIS A 27 9.933 -12.027 -4.250 1.00 0.00 N ATOM 0 H HIS A 27 5.007 -8.722 -2.634 1.00 0.00 H new ATOM 0 HA HIS A 27 6.321 -8.912 -4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.497 -8.889 -2.864 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.769 -10.398 -2.348 1.00 0.00 H new ATOM 0 HD1 HIS A 27 8.846 -9.335 -5.406 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.591 -12.392 -2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.711 -10.979 -5.945 1.00 0.00 H new ATOM 393 N MET A 28 4.773 -11.730 -4.414 1.00 0.00 N ATOM 394 CA MET A 28 4.395 -13.004 -5.013 1.00 0.00 C ATOM 395 C MET A 28 3.553 -12.787 -6.266 1.00 0.00 C ATOM 396 O MET A 28 3.754 -13.452 -7.283 1.00 0.00 O ATOM 397 CB MET A 28 3.621 -13.857 -4.006 1.00 0.00 C ATOM 398 CG MET A 28 4.383 -14.114 -2.716 1.00 0.00 C ATOM 399 SD MET A 28 6.134 -14.438 -2.996 1.00 0.00 S ATOM 400 CE MET A 28 6.354 -15.948 -2.057 1.00 0.00 C ATOM 0 H MET A 28 4.253 -11.490 -3.570 1.00 0.00 H new ATOM 0 HA MET A 28 5.308 -13.528 -5.296 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.680 -13.361 -3.770 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.371 -14.812 -4.467 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.278 -13.251 -2.059 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.938 -14.964 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.382 -16.295 -2.162 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.141 -15.757 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.673 -16.712 -2.432 1.00 0.00 H new ATOM 410 N ARG A 29 2.610 -11.854 -6.186 1.00 0.00 N ATOM 411 CA ARG A 29 1.737 -11.551 -7.313 1.00 0.00 C ATOM 412 C ARG A 29 2.525 -11.520 -8.619 1.00 0.00 C ATOM 413 O ARG A 29 2.106 -12.098 -9.623 1.00 0.00 O ATOM 414 CB ARG A 29 1.036 -10.209 -7.097 1.00 0.00 C ATOM 415 CG ARG A 29 -0.105 -10.272 -6.094 1.00 0.00 C ATOM 416 CD ARG A 29 -1.195 -9.266 -6.426 1.00 0.00 C ATOM 417 NE ARG A 29 -0.654 -7.929 -6.659 1.00 0.00 N ATOM 418 CZ ARG A 29 -1.404 -6.835 -6.724 1.00 0.00 C ATOM 419 NH1 ARG A 29 -2.718 -6.917 -6.575 1.00 0.00 N ATOM 420 NH2 ARG A 29 -0.838 -5.654 -6.939 1.00 0.00 N ATOM 0 H ARG A 29 2.431 -11.295 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 29 0.987 -12.339 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.768 -9.477 -6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.650 -9.853 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.527 -11.277 -6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.278 -10.077 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.736 -9.597 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.915 -9.228 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 29 0.354 -7.831 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.157 -7.823 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.291 -6.074 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.173 -5.587 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.414 -4.814 -6.989 1.00 0.00 H new ATOM 434 N CYS A 30 3.668 -10.843 -8.598 1.00 0.00 N ATOM 435 CA CYS A 30 4.515 -10.736 -9.781 1.00 0.00 C ATOM 436 C CYS A 30 5.001 -12.110 -10.228 1.00 0.00 C ATOM 437 O CYS A 30 4.810 -12.504 -11.379 1.00 0.00 O ATOM 438 CB CYS A 30 5.711 -9.826 -9.496 1.00 0.00 C ATOM 439 SG CYS A 30 6.621 -9.319 -10.974 1.00 0.00 S ATOM 0 H CYS A 30 4.029 -10.360 -7.775 1.00 0.00 H new ATOM 0 HA CYS A 30 3.921 -10.302 -10.585 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.360 -8.935 -8.975 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.394 -10.342 -8.821 1.00 0.00 H new ATOM 0 HG CYS A 30 7.612 -8.551 -10.631 1.00 0.00 H new ATOM 445 N HIS A 31 5.633 -12.836 -9.311 1.00 0.00 N ATOM 446 CA HIS A 31 6.148 -14.167 -9.611 1.00 0.00 C ATOM 447 C HIS A 31 5.224 -14.902 -10.577 1.00 0.00 C ATOM 448 O HIS A 31 4.012 -14.968 -10.366 1.00 0.00 O ATOM 449 CB HIS A 31 6.309 -14.977 -8.324 1.00 0.00 C ATOM 450 CG HIS A 31 7.578 -14.683 -7.586 1.00 0.00 C ATOM 451 ND1 HIS A 31 8.807 -14.597 -8.206 1.00 0.00 N ATOM 452 CD2 HIS A 31 7.805 -14.453 -6.272 1.00 0.00 C ATOM 453 CE1 HIS A 31 9.735 -14.329 -7.305 1.00 0.00 C ATOM 454 NE2 HIS A 31 9.152 -14.235 -6.123 1.00 0.00 N ATOM 0 H HIS A 31 5.801 -12.525 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 31 7.123 -14.054 -10.084 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.462 -14.774 -7.669 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.277 -16.039 -8.567 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.973 -14.721 -9.205 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.064 -14.443 -5.486 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.790 -14.207 -7.501 1.00 0.00 H new ATOM 462 N THR A 32 5.803 -15.454 -11.639 1.00 0.00 N ATOM 463 CA THR A 32 5.032 -16.182 -12.638 1.00 0.00 C ATOM 464 C THR A 32 5.935 -17.061 -13.497 1.00 0.00 C ATOM 465 O THR A 32 7.127 -16.793 -13.636 1.00 0.00 O ATOM 466 CB THR A 32 4.249 -15.222 -13.553 1.00 0.00 C ATOM 467 OG1 THR A 32 3.371 -15.965 -14.407 1.00 0.00 O ATOM 468 CG2 THR A 32 5.198 -14.385 -14.398 1.00 0.00 C ATOM 0 H THR A 32 6.804 -15.410 -11.829 1.00 0.00 H new ATOM 0 HA THR A 32 4.327 -16.811 -12.095 1.00 0.00 H new ATOM 0 HB THR A 32 3.662 -14.553 -12.923 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.876 -15.347 -14.984 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.622 -13.715 -15.036 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.845 -13.798 -13.746 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.808 -15.042 -15.019 1.00 0.00 H new ATOM 476 N GLY A 33 5.357 -18.112 -14.071 1.00 0.00 N ATOM 477 CA GLY A 33 6.125 -19.014 -14.910 1.00 0.00 C ATOM 478 C GLY A 33 5.459 -20.366 -15.069 1.00 0.00 C ATOM 479 O GLY A 33 4.245 -20.492 -14.905 1.00 0.00 O ATOM 0 H GLY A 33 4.371 -18.355 -13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.263 -18.563 -15.892 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.117 -19.150 -14.479 1.00 0.00 H new ATOM 483 N VAL A 34 6.254 -21.381 -15.391 1.00 0.00 N ATOM 484 CA VAL A 34 5.734 -22.731 -15.574 1.00 0.00 C ATOM 485 C VAL A 34 5.199 -23.296 -14.262 1.00 0.00 C ATOM 486 O VAL A 34 5.813 -24.174 -13.655 1.00 0.00 O ATOM 487 CB VAL A 34 6.816 -23.679 -16.125 1.00 0.00 C ATOM 488 CG1 VAL A 34 7.215 -23.271 -17.535 1.00 0.00 C ATOM 489 CG2 VAL A 34 8.026 -23.700 -15.204 1.00 0.00 C ATOM 0 H VAL A 34 7.261 -21.294 -15.531 1.00 0.00 H new ATOM 0 HA VAL A 34 4.920 -22.662 -16.296 1.00 0.00 H new ATOM 0 HB VAL A 34 6.404 -24.687 -16.167 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.980 -23.952 -17.908 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.342 -23.314 -18.187 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.609 -22.255 -17.522 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.780 -24.375 -15.609 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.442 -22.695 -15.127 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.724 -24.045 -14.215 1.00 0.00 H new ATOM 499 N LYS A 35 4.051 -22.786 -13.830 1.00 0.00 N ATOM 500 CA LYS A 35 3.430 -23.240 -12.591 1.00 0.00 C ATOM 501 C LYS A 35 2.142 -24.005 -12.876 1.00 0.00 C ATOM 502 O LYS A 35 1.192 -23.476 -13.454 1.00 0.00 O ATOM 503 CB LYS A 35 3.137 -22.048 -11.677 1.00 0.00 C ATOM 504 CG LYS A 35 4.355 -21.547 -10.921 1.00 0.00 C ATOM 505 CD LYS A 35 5.209 -20.633 -11.783 1.00 0.00 C ATOM 506 CE LYS A 35 6.584 -20.414 -11.170 1.00 0.00 C ATOM 507 NZ LYS A 35 7.526 -21.514 -11.513 1.00 0.00 N ATOM 0 H LYS A 35 3.531 -22.058 -14.320 1.00 0.00 H new ATOM 0 HA LYS A 35 4.127 -23.912 -12.090 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.731 -21.233 -12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.366 -22.331 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.035 -21.011 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.952 -22.396 -10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.317 -21.066 -12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.707 -19.673 -11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.991 -19.465 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.491 -20.340 -10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.451 -21.327 -11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.151 -22.416 -11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.635 -21.568 -12.546 1.00 0.00 H new ATOM 521 N PRO A 36 2.106 -25.280 -12.461 1.00 0.00 N ATOM 522 CA PRO A 36 0.938 -26.144 -12.660 1.00 0.00 C ATOM 523 C PRO A 36 -0.246 -25.727 -11.794 1.00 0.00 C ATOM 524 O PRO A 36 -1.377 -26.154 -12.025 1.00 0.00 O ATOM 525 CB PRO A 36 1.445 -27.527 -12.241 1.00 0.00 C ATOM 526 CG PRO A 36 2.559 -27.250 -11.291 1.00 0.00 C ATOM 527 CD PRO A 36 3.202 -25.977 -11.766 1.00 0.00 C ATOM 0 HA PRO A 36 0.570 -26.102 -13.685 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.656 -28.111 -11.767 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.792 -28.099 -13.102 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.186 -27.142 -10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.277 -28.070 -11.282 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.590 -25.388 -10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.040 -26.175 -12.434 1.00 0.00 H new ATOM 535 N TYR A 37 0.022 -24.889 -10.799 1.00 0.00 N ATOM 536 CA TYR A 37 -1.022 -24.415 -9.898 1.00 0.00 C ATOM 537 C TYR A 37 -1.399 -22.971 -10.213 1.00 0.00 C ATOM 538 O TYR A 37 -0.865 -22.033 -9.620 1.00 0.00 O ATOM 539 CB TYR A 37 -0.560 -24.528 -8.444 1.00 0.00 C ATOM 540 CG TYR A 37 -0.561 -25.945 -7.916 1.00 0.00 C ATOM 541 CD1 TYR A 37 -1.702 -26.734 -7.991 1.00 0.00 C ATOM 542 CD2 TYR A 37 0.579 -26.494 -7.343 1.00 0.00 C ATOM 543 CE1 TYR A 37 -1.708 -28.029 -7.510 1.00 0.00 C ATOM 544 CE2 TYR A 37 0.583 -27.788 -6.860 1.00 0.00 C ATOM 545 CZ TYR A 37 -0.563 -28.552 -6.946 1.00 0.00 C ATOM 546 OH TYR A 37 -0.563 -29.841 -6.465 1.00 0.00 O ATOM 0 H TYR A 37 0.953 -24.524 -10.596 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.903 -25.041 -10.042 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.446 -24.118 -8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.208 -23.915 -7.817 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.600 -26.328 -8.433 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.478 -25.899 -7.274 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.604 -28.628 -7.575 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.478 -28.200 -6.417 1.00 0.00 H new ATOM 0 HH TYR A 37 0.322 -30.055 -6.102 1.00 0.00 H new ATOM 556 N LYS A 38 -2.325 -22.799 -11.151 1.00 0.00 N ATOM 557 CA LYS A 38 -2.777 -21.470 -11.546 1.00 0.00 C ATOM 558 C LYS A 38 -4.300 -21.384 -11.519 1.00 0.00 C ATOM 559 O LYS A 38 -4.992 -22.361 -11.806 1.00 0.00 O ATOM 560 CB LYS A 38 -2.261 -21.128 -12.945 1.00 0.00 C ATOM 561 CG LYS A 38 -0.757 -20.920 -13.004 1.00 0.00 C ATOM 562 CD LYS A 38 -0.376 -19.914 -14.077 1.00 0.00 C ATOM 563 CE LYS A 38 -0.171 -20.588 -15.425 1.00 0.00 C ATOM 564 NZ LYS A 38 -1.431 -20.641 -16.216 1.00 0.00 N ATOM 0 H LYS A 38 -2.777 -23.564 -11.652 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.377 -20.750 -10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.536 -21.930 -13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.759 -20.224 -13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.398 -20.573 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.265 -21.872 -13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.156 -19.158 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.538 -19.397 -13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.589 -20.048 -15.989 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.204 -21.600 -15.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.249 -21.107 -17.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.149 -21.178 -15.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.776 -19.674 -16.384 1.00 0.00 H new ATOM 578 N CYS A 39 -4.815 -20.209 -11.175 1.00 0.00 N ATOM 579 CA CYS A 39 -6.256 -19.994 -11.112 1.00 0.00 C ATOM 580 C CYS A 39 -6.828 -19.733 -12.502 1.00 0.00 C ATOM 581 O CYS A 39 -6.335 -18.879 -13.239 1.00 0.00 O ATOM 582 CB CYS A 39 -6.577 -18.818 -10.187 1.00 0.00 C ATOM 583 SG CYS A 39 -7.174 -19.311 -8.538 1.00 0.00 S ATOM 0 H CYS A 39 -4.256 -19.390 -10.935 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.716 -20.898 -10.713 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.682 -18.207 -10.070 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.331 -18.191 -10.662 1.00 0.00 H new ATOM 588 N LYS A 40 -7.873 -20.474 -12.855 1.00 0.00 N ATOM 589 CA LYS A 40 -8.515 -20.324 -14.155 1.00 0.00 C ATOM 590 C LYS A 40 -8.991 -18.890 -14.364 1.00 0.00 C ATOM 591 O LYS A 40 -8.960 -18.371 -15.481 1.00 0.00 O ATOM 592 CB LYS A 40 -9.697 -21.288 -14.278 1.00 0.00 C ATOM 593 CG LYS A 40 -9.299 -22.687 -14.714 1.00 0.00 C ATOM 594 CD LYS A 40 -9.206 -22.794 -16.227 1.00 0.00 C ATOM 595 CE LYS A 40 -10.544 -23.172 -16.842 1.00 0.00 C ATOM 596 NZ LYS A 40 -11.396 -21.977 -17.094 1.00 0.00 N ATOM 0 H LYS A 40 -8.294 -21.186 -12.257 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.780 -20.560 -14.925 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.208 -21.348 -13.317 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.412 -20.883 -14.994 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.338 -22.948 -14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.028 -23.406 -14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.870 -21.843 -16.640 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.458 -23.540 -16.495 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.376 -23.702 -17.779 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.068 -23.858 -16.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.924 -22.108 -17.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.065 -21.855 -16.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.795 -21.132 -17.171 1.00 0.00 H new ATOM 610 N THR A 41 -9.429 -18.253 -13.283 1.00 0.00 N ATOM 611 CA THR A 41 -9.911 -16.879 -13.348 1.00 0.00 C ATOM 612 C THR A 41 -8.765 -15.886 -13.190 1.00 0.00 C ATOM 613 O THR A 41 -8.507 -15.073 -14.078 1.00 0.00 O ATOM 614 CB THR A 41 -10.968 -16.602 -12.262 1.00 0.00 C ATOM 615 OG1 THR A 41 -12.071 -17.502 -12.412 1.00 0.00 O ATOM 616 CG2 THR A 41 -11.464 -15.166 -12.343 1.00 0.00 C ATOM 0 H THR A 41 -9.460 -18.667 -12.351 1.00 0.00 H new ATOM 0 HA THR A 41 -10.367 -16.751 -14.330 1.00 0.00 H new ATOM 0 HB THR A 41 -10.504 -16.755 -11.287 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.738 -17.321 -11.717 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.209 -14.994 -11.567 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.627 -14.483 -12.200 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.912 -14.990 -13.321 1.00 0.00 H new ATOM 624 N CYS A 42 -8.078 -15.958 -12.054 1.00 0.00 N ATOM 625 CA CYS A 42 -6.959 -15.066 -11.779 1.00 0.00 C ATOM 626 C CYS A 42 -5.759 -15.412 -12.657 1.00 0.00 C ATOM 627 O CYS A 42 -5.820 -16.330 -13.475 1.00 0.00 O ATOM 628 CB CYS A 42 -6.565 -15.148 -10.303 1.00 0.00 C ATOM 629 SG CYS A 42 -7.959 -15.480 -9.179 1.00 0.00 S ATOM 0 H CYS A 42 -8.278 -16.626 -11.309 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.274 -14.048 -12.008 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.818 -15.933 -10.180 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.092 -14.210 -10.011 1.00 0.00 H new ATOM 634 N ASP A 43 -4.671 -14.670 -12.481 1.00 0.00 N ATOM 635 CA ASP A 43 -3.457 -14.898 -13.256 1.00 0.00 C ATOM 636 C ASP A 43 -2.243 -15.020 -12.340 1.00 0.00 C ATOM 637 O ASP A 43 -1.164 -14.517 -12.653 1.00 0.00 O ATOM 638 CB ASP A 43 -3.244 -13.762 -14.257 1.00 0.00 C ATOM 639 CG ASP A 43 -3.933 -14.021 -15.583 1.00 0.00 C ATOM 640 OD1 ASP A 43 -4.860 -14.858 -15.616 1.00 0.00 O ATOM 641 OD2 ASP A 43 -3.546 -13.387 -16.586 1.00 0.00 O ATOM 0 H ASP A 43 -4.605 -13.906 -11.809 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.574 -15.834 -13.801 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.620 -12.832 -13.831 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.176 -13.627 -14.426 1.00 0.00 H new ATOM 646 N TYR A 44 -2.428 -15.690 -11.208 1.00 0.00 N ATOM 647 CA TYR A 44 -1.349 -15.874 -10.245 1.00 0.00 C ATOM 648 C TYR A 44 -0.691 -17.240 -10.419 1.00 0.00 C ATOM 649 O TYR A 44 -1.371 -18.256 -10.558 1.00 0.00 O ATOM 650 CB TYR A 44 -1.881 -15.730 -8.818 1.00 0.00 C ATOM 651 CG TYR A 44 -1.046 -16.454 -7.785 1.00 0.00 C ATOM 652 CD1 TYR A 44 0.327 -16.257 -7.711 1.00 0.00 C ATOM 653 CD2 TYR A 44 -1.632 -17.333 -6.882 1.00 0.00 C ATOM 654 CE1 TYR A 44 1.093 -16.916 -6.769 1.00 0.00 C ATOM 655 CE2 TYR A 44 -0.873 -17.995 -5.936 1.00 0.00 C ATOM 656 CZ TYR A 44 0.489 -17.784 -5.884 1.00 0.00 C ATOM 657 OH TYR A 44 1.248 -18.441 -4.944 1.00 0.00 O ATOM 0 H TYR A 44 -3.314 -16.114 -10.935 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.599 -15.104 -10.426 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.925 -14.672 -8.561 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.902 -16.110 -8.779 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.804 -15.577 -8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.698 -17.501 -6.920 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.160 -16.752 -6.726 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.344 -18.674 -5.241 1.00 0.00 H new ATOM 0 HH TYR A 44 0.706 -18.610 -4.145 1.00 0.00 H new ATOM 667 N ALA A 45 0.638 -17.254 -10.409 1.00 0.00 N ATOM 668 CA ALA A 45 1.390 -18.494 -10.563 1.00 0.00 C ATOM 669 C ALA A 45 1.904 -18.995 -9.218 1.00 0.00 C ATOM 670 O ALA A 45 2.630 -18.289 -8.519 1.00 0.00 O ATOM 671 CB ALA A 45 2.546 -18.293 -11.531 1.00 0.00 C ATOM 0 H ALA A 45 1.216 -16.421 -10.296 1.00 0.00 H new ATOM 0 HA ALA A 45 0.718 -19.250 -10.969 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.099 -19.227 -11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.158 -17.989 -12.503 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.211 -17.519 -11.148 1.00 0.00 H new ATOM 677 N ALA A 46 1.522 -20.217 -8.861 1.00 0.00 N ATOM 678 CA ALA A 46 1.946 -20.812 -7.600 1.00 0.00 C ATOM 679 C ALA A 46 2.946 -21.939 -7.834 1.00 0.00 C ATOM 680 O ALA A 46 2.669 -22.884 -8.571 1.00 0.00 O ATOM 681 CB ALA A 46 0.740 -21.326 -6.827 1.00 0.00 C ATOM 0 H ALA A 46 0.920 -20.814 -9.428 1.00 0.00 H new ATOM 0 HA ALA A 46 2.440 -20.040 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.071 -21.768 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.061 -20.499 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.222 -22.080 -7.420 1.00 0.00 H new ATOM 687 N ALA A 47 4.111 -21.831 -7.202 1.00 0.00 N ATOM 688 CA ALA A 47 5.151 -22.842 -7.340 1.00 0.00 C ATOM 689 C ALA A 47 5.096 -23.847 -6.195 1.00 0.00 C ATOM 690 O ALA A 47 6.129 -24.334 -5.733 1.00 0.00 O ATOM 691 CB ALA A 47 6.522 -22.184 -7.402 1.00 0.00 C ATOM 0 H ALA A 47 4.357 -21.053 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 47 4.977 -23.382 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.289 -22.951 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.564 -21.511 -8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.696 -21.618 -6.487 1.00 0.00 H new ATOM 697 N ASP A 48 3.886 -24.154 -5.741 1.00 0.00 N ATOM 698 CA ASP A 48 3.696 -25.102 -4.649 1.00 0.00 C ATOM 699 C ASP A 48 2.216 -25.404 -4.443 1.00 0.00 C ATOM 700 O ASP A 48 1.350 -24.685 -4.941 1.00 0.00 O ATOM 701 CB ASP A 48 4.302 -24.552 -3.357 1.00 0.00 C ATOM 702 CG ASP A 48 4.774 -25.650 -2.425 1.00 0.00 C ATOM 703 OD1 ASP A 48 5.893 -26.165 -2.632 1.00 0.00 O ATOM 704 OD2 ASP A 48 4.025 -25.996 -1.488 1.00 0.00 O ATOM 0 H ASP A 48 3.022 -23.760 -6.112 1.00 0.00 H new ATOM 0 HA ASP A 48 4.204 -26.030 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.142 -23.901 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.561 -23.938 -2.845 1.00 0.00 H new ATOM 709 N SER A 49 1.932 -26.474 -3.707 1.00 0.00 N ATOM 710 CA SER A 49 0.556 -26.875 -3.439 1.00 0.00 C ATOM 711 C SER A 49 -0.088 -25.952 -2.410 1.00 0.00 C ATOM 712 O SER A 49 -1.193 -25.450 -2.615 1.00 0.00 O ATOM 713 CB SER A 49 0.511 -28.321 -2.943 1.00 0.00 C ATOM 714 OG SER A 49 -0.821 -28.732 -2.688 1.00 0.00 O ATOM 0 H SER A 49 2.637 -27.079 -3.286 1.00 0.00 H new ATOM 0 HA SER A 49 -0.006 -26.801 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.961 -28.978 -3.687 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.104 -28.415 -2.034 1.00 0.00 H new ATOM 0 HG SER A 49 -0.822 -29.660 -2.373 1.00 0.00 H new ATOM 720 N SER A 50 0.611 -25.733 -1.301 1.00 0.00 N ATOM 721 CA SER A 50 0.106 -24.873 -0.236 1.00 0.00 C ATOM 722 C SER A 50 -0.083 -23.444 -0.736 1.00 0.00 C ATOM 723 O SER A 50 -1.090 -22.800 -0.440 1.00 0.00 O ATOM 724 CB SER A 50 1.065 -24.886 0.956 1.00 0.00 C ATOM 725 OG SER A 50 2.365 -24.474 0.569 1.00 0.00 O ATOM 0 H SER A 50 1.528 -26.139 -1.116 1.00 0.00 H new ATOM 0 HA SER A 50 -0.862 -25.259 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.688 -24.226 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.109 -25.889 1.380 1.00 0.00 H new ATOM 0 HG SER A 50 2.777 -25.170 0.015 1.00 0.00 H new ATOM 731 N SER A 51 0.892 -22.955 -1.494 1.00 0.00 N ATOM 732 CA SER A 51 0.836 -21.601 -2.033 1.00 0.00 C ATOM 733 C SER A 51 -0.521 -21.327 -2.674 1.00 0.00 C ATOM 734 O SER A 51 -1.156 -20.307 -2.400 1.00 0.00 O ATOM 735 CB SER A 51 1.950 -21.391 -3.060 1.00 0.00 C ATOM 736 OG SER A 51 2.073 -22.515 -3.915 1.00 0.00 O ATOM 0 H SER A 51 1.731 -23.476 -1.749 1.00 0.00 H new ATOM 0 HA SER A 51 0.976 -20.902 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.740 -20.501 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.895 -21.216 -2.546 1.00 0.00 H new ATOM 0 HG SER A 51 1.333 -23.135 -3.748 1.00 0.00 H new ATOM 742 N LEU A 52 -0.961 -22.244 -3.528 1.00 0.00 N ATOM 743 CA LEU A 52 -2.243 -22.104 -4.209 1.00 0.00 C ATOM 744 C LEU A 52 -3.399 -22.407 -3.262 1.00 0.00 C ATOM 745 O LEU A 52 -4.391 -21.680 -3.224 1.00 0.00 O ATOM 746 CB LEU A 52 -2.304 -23.035 -5.421 1.00 0.00 C ATOM 747 CG LEU A 52 -3.460 -22.796 -6.393 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.237 -21.516 -7.184 1.00 0.00 C ATOM 749 CD2 LEU A 52 -3.621 -23.983 -7.332 1.00 0.00 C ATOM 0 H LEU A 52 -0.448 -23.093 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.336 -21.072 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.368 -22.944 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.364 -24.063 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.378 -22.687 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.070 -21.363 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.172 -20.671 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.309 -21.596 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.448 -23.796 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.703 -24.123 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.828 -24.881 -6.751 1.00 0.00 H new ATOM 761 N ASN A 53 -3.263 -23.485 -2.496 1.00 0.00 N ATOM 762 CA ASN A 53 -4.296 -23.884 -1.547 1.00 0.00 C ATOM 763 C ASN A 53 -4.770 -22.689 -0.725 1.00 0.00 C ATOM 764 O ASN A 53 -5.970 -22.479 -0.549 1.00 0.00 O ATOM 765 CB ASN A 53 -3.768 -24.979 -0.617 1.00 0.00 C ATOM 766 CG ASN A 53 -3.849 -26.358 -1.243 1.00 0.00 C ATOM 767 OD1 ASN A 53 -4.731 -26.630 -2.058 1.00 0.00 O ATOM 768 ND2 ASN A 53 -2.928 -27.235 -0.864 1.00 0.00 N ATOM 0 H ASN A 53 -2.448 -24.098 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.143 -24.273 -2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.732 -24.762 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.339 -24.970 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.932 -28.179 -1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.216 -26.965 -0.186 1.00 0.00 H new ATOM 775 N LYS A 54 -3.819 -21.908 -0.224 1.00 0.00 N ATOM 776 CA LYS A 54 -4.138 -20.732 0.577 1.00 0.00 C ATOM 777 C LYS A 54 -4.800 -19.655 -0.276 1.00 0.00 C ATOM 778 O LYS A 54 -5.495 -18.780 0.241 1.00 0.00 O ATOM 779 CB LYS A 54 -2.870 -20.174 1.229 1.00 0.00 C ATOM 780 CG LYS A 54 -3.120 -18.958 2.103 1.00 0.00 C ATOM 781 CD LYS A 54 -1.818 -18.342 2.587 1.00 0.00 C ATOM 782 CE LYS A 54 -1.292 -17.307 1.605 1.00 0.00 C ATOM 783 NZ LYS A 54 -1.912 -15.971 1.822 1.00 0.00 N ATOM 0 H LYS A 54 -2.821 -22.068 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.838 -21.034 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.408 -20.955 1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.157 -19.910 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.688 -18.216 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.729 -19.244 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.974 -17.876 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.073 -19.125 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.210 -17.226 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.492 -17.639 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.527 -15.294 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.942 -16.042 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.700 -15.642 2.786 1.00 0.00 H new ATOM 797 N HIS A 55 -4.580 -19.725 -1.585 1.00 0.00 N ATOM 798 CA HIS A 55 -5.158 -18.757 -2.510 1.00 0.00 C ATOM 799 C HIS A 55 -6.617 -19.090 -2.805 1.00 0.00 C ATOM 800 O HIS A 55 -7.507 -18.263 -2.601 1.00 0.00 O ATOM 801 CB HIS A 55 -4.357 -18.723 -3.812 1.00 0.00 C ATOM 802 CG HIS A 55 -4.870 -17.727 -4.806 1.00 0.00 C ATOM 803 ND1 HIS A 55 -4.611 -16.375 -4.719 1.00 0.00 N ATOM 804 CD2 HIS A 55 -5.630 -17.892 -5.913 1.00 0.00 C ATOM 805 CE1 HIS A 55 -5.191 -15.752 -5.729 1.00 0.00 C ATOM 806 NE2 HIS A 55 -5.815 -16.650 -6.469 1.00 0.00 N ATOM 0 H HIS A 55 -4.006 -20.442 -2.029 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.116 -17.774 -2.041 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.317 -18.492 -3.583 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.371 -19.715 -4.264 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -4.058 -15.926 -3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.019 -18.827 -6.289 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.160 -14.689 -5.917 1.00 0.00 H new ATOM 814 N LEU A 56 -6.856 -20.305 -3.286 1.00 0.00 N ATOM 815 CA LEU A 56 -8.208 -20.747 -3.610 1.00 0.00 C ATOM 816 C LEU A 56 -9.183 -20.376 -2.498 1.00 0.00 C ATOM 817 O LEU A 56 -10.390 -20.282 -2.723 1.00 0.00 O ATOM 818 CB LEU A 56 -8.229 -22.260 -3.838 1.00 0.00 C ATOM 819 CG LEU A 56 -7.375 -22.776 -4.997 1.00 0.00 C ATOM 820 CD1 LEU A 56 -7.329 -24.296 -4.990 1.00 0.00 C ATOM 821 CD2 LEU A 56 -7.911 -22.263 -6.325 1.00 0.00 C ATOM 0 H LEU A 56 -6.131 -21.002 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.520 -20.243 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.897 -22.750 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.261 -22.567 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.359 -22.401 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.717 -24.645 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.897 -24.643 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.340 -24.691 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.291 -22.640 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.936 -22.607 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.891 -21.173 -6.329 1.00 0.00 H new ATOM 833 N ARG A 57 -8.652 -20.163 -1.299 1.00 0.00 N ATOM 834 CA ARG A 57 -9.476 -19.800 -0.152 1.00 0.00 C ATOM 835 C ARG A 57 -10.192 -18.474 -0.394 1.00 0.00 C ATOM 836 O ARG A 57 -11.421 -18.409 -0.374 1.00 0.00 O ATOM 837 CB ARG A 57 -8.617 -19.705 1.111 1.00 0.00 C ATOM 838 CG ARG A 57 -7.988 -21.026 1.520 1.00 0.00 C ATOM 839 CD ARG A 57 -7.367 -20.942 2.906 1.00 0.00 C ATOM 840 NE ARG A 57 -8.379 -20.850 3.955 1.00 0.00 N ATOM 841 CZ ARG A 57 -9.049 -21.896 4.424 1.00 0.00 C ATOM 842 NH1 ARG A 57 -8.815 -23.109 3.940 1.00 0.00 N ATOM 843 NH2 ARG A 57 -9.955 -21.732 5.379 1.00 0.00 N ATOM 0 H ARG A 57 -7.655 -20.235 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.226 -20.579 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.828 -18.971 0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.232 -19.336 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.745 -21.810 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.225 -21.307 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.745 -21.820 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.712 -20.073 2.957 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.582 -19.931 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.119 -23.240 3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.331 -23.911 4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.138 -20.801 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.469 -22.537 5.738 1.00 0.00 H new ATOM 857 N ILE A 58 -9.414 -17.421 -0.622 1.00 0.00 N ATOM 858 CA ILE A 58 -9.974 -16.098 -0.869 1.00 0.00 C ATOM 859 C ILE A 58 -11.254 -16.187 -1.693 1.00 0.00 C ATOM 860 O ILE A 58 -12.188 -15.410 -1.495 1.00 0.00 O ATOM 861 CB ILE A 58 -8.968 -15.189 -1.600 1.00 0.00 C ATOM 862 CG1 ILE A 58 -9.115 -15.344 -3.115 1.00 0.00 C ATOM 863 CG2 ILE A 58 -7.547 -15.513 -1.164 1.00 0.00 C ATOM 864 CD1 ILE A 58 -8.122 -14.522 -3.905 1.00 0.00 C ATOM 0 H ILE A 58 -8.395 -17.458 -0.641 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.202 -15.665 0.105 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.180 -14.153 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.995 -16.395 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.125 -15.056 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.848 -14.862 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.451 -15.356 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.322 -16.553 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.285 -14.681 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.256 -13.466 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.108 -14.826 -3.643 1.00 0.00 H new ATOM 876 N HIS A 59 -11.291 -17.142 -2.617 1.00 0.00 N ATOM 877 CA HIS A 59 -12.458 -17.335 -3.470 1.00 0.00 C ATOM 878 C HIS A 59 -13.646 -17.844 -2.659 1.00 0.00 C ATOM 879 O HIS A 59 -13.554 -18.008 -1.442 1.00 0.00 O ATOM 880 CB HIS A 59 -12.136 -18.319 -4.596 1.00 0.00 C ATOM 881 CG HIS A 59 -11.132 -17.798 -5.577 1.00 0.00 C ATOM 882 ND1 HIS A 59 -11.481 -17.076 -6.699 1.00 0.00 N ATOM 883 CD2 HIS A 59 -9.782 -17.896 -5.600 1.00 0.00 C ATOM 884 CE1 HIS A 59 -10.389 -16.754 -7.370 1.00 0.00 C ATOM 885 NE2 HIS A 59 -9.344 -17.239 -6.724 1.00 0.00 N ATOM 0 H HIS A 59 -10.527 -17.794 -2.794 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.723 -16.371 -3.904 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.760 -19.245 -4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.056 -18.566 -5.126 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -12.433 -16.829 -6.969 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -9.164 -18.398 -4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.357 -16.190 -8.290 1.00 0.00 H new ATOM 893 N SER A 60 -14.760 -18.090 -3.341 1.00 0.00 N ATOM 894 CA SER A 60 -15.967 -18.575 -2.683 1.00 0.00 C ATOM 895 C SER A 60 -16.404 -17.619 -1.577 1.00 0.00 C ATOM 896 O SER A 60 -16.840 -18.047 -0.508 1.00 0.00 O ATOM 897 CB SER A 60 -15.731 -19.971 -2.102 1.00 0.00 C ATOM 898 OG SER A 60 -16.959 -20.631 -1.848 1.00 0.00 O ATOM 0 H SER A 60 -14.852 -17.961 -4.349 1.00 0.00 H new ATOM 0 HA SER A 60 -16.761 -18.629 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.134 -20.562 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 60 -15.159 -19.892 -1.178 1.00 0.00 H new ATOM 0 HG SER A 60 -17.510 -20.080 -1.254 1.00 0.00 H new ATOM 904 N ASP A 61 -16.285 -16.323 -1.843 1.00 0.00 N ATOM 905 CA ASP A 61 -16.669 -15.305 -0.872 1.00 0.00 C ATOM 906 C ASP A 61 -17.712 -14.360 -1.459 1.00 0.00 C ATOM 907 O ASP A 61 -18.773 -14.150 -0.872 1.00 0.00 O ATOM 908 CB ASP A 61 -15.441 -14.513 -0.420 1.00 0.00 C ATOM 909 CG ASP A 61 -14.718 -13.855 -1.578 1.00 0.00 C ATOM 910 OD1 ASP A 61 -14.225 -14.586 -2.463 1.00 0.00 O ATOM 911 OD2 ASP A 61 -14.646 -12.609 -1.601 1.00 0.00 O ATOM 0 H ASP A 61 -15.926 -15.952 -2.723 1.00 0.00 H new ATOM 0 HA ASP A 61 -17.106 -15.807 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.748 -13.749 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.754 -15.180 0.102 1.00 0.00 H new ATOM 916 N GLU A 62 -17.401 -13.791 -2.620 1.00 0.00 N ATOM 917 CA GLU A 62 -18.312 -12.866 -3.285 1.00 0.00 C ATOM 918 C GLU A 62 -19.762 -13.302 -3.098 1.00 0.00 C ATOM 919 O GLU A 62 -20.044 -14.481 -2.882 1.00 0.00 O ATOM 920 CB GLU A 62 -17.983 -12.776 -4.777 1.00 0.00 C ATOM 921 CG GLU A 62 -18.413 -11.467 -5.416 1.00 0.00 C ATOM 922 CD GLU A 62 -19.883 -11.453 -5.788 1.00 0.00 C ATOM 923 OE1 GLU A 62 -20.366 -12.465 -6.337 1.00 0.00 O ATOM 924 OE2 GLU A 62 -20.550 -10.430 -5.529 1.00 0.00 O ATOM 0 H GLU A 62 -16.526 -13.954 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.185 -11.883 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.909 -12.901 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.468 -13.602 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.209 -10.647 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.814 -11.290 -6.310 1.00 0.00 H new ATOM 931 N ARG A 63 -20.678 -12.342 -3.182 1.00 0.00 N ATOM 932 CA ARG A 63 -22.099 -12.626 -3.021 1.00 0.00 C ATOM 933 C ARG A 63 -22.569 -13.651 -4.048 1.00 0.00 C ATOM 934 O ARG A 63 -22.202 -13.604 -5.222 1.00 0.00 O ATOM 935 CB ARG A 63 -22.916 -11.339 -3.158 1.00 0.00 C ATOM 936 CG ARG A 63 -22.963 -10.509 -1.886 1.00 0.00 C ATOM 937 CD ARG A 63 -21.686 -9.705 -1.697 1.00 0.00 C ATOM 938 NE ARG A 63 -20.684 -10.441 -0.931 1.00 0.00 N ATOM 939 CZ ARG A 63 -20.664 -10.490 0.397 1.00 0.00 C ATOM 940 NH1 ARG A 63 -21.587 -9.850 1.101 1.00 0.00 N ATOM 941 NH2 ARG A 63 -19.720 -11.181 1.022 1.00 0.00 N ATOM 0 H ARG A 63 -20.461 -11.361 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 63 -22.250 -13.041 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -22.494 -10.734 -3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -23.934 -11.594 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -23.817 -9.833 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -23.112 -11.165 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.276 -9.442 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.918 -8.771 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 63 -19.960 -10.945 -1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.315 -9.318 0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.569 -9.889 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -19.009 -11.675 0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -19.705 -11.218 2.041 1.00 0.00 H new ATOM 955 N PRO A 64 -23.400 -14.603 -3.596 1.00 0.00 N ATOM 956 CA PRO A 64 -23.938 -15.658 -4.460 1.00 0.00 C ATOM 957 C PRO A 64 -24.944 -15.122 -5.472 1.00 0.00 C ATOM 958 O PRO A 64 -25.025 -15.610 -6.600 1.00 0.00 O ATOM 959 CB PRO A 64 -24.625 -16.607 -3.474 1.00 0.00 C ATOM 960 CG PRO A 64 -24.968 -15.753 -2.303 1.00 0.00 C ATOM 961 CD PRO A 64 -23.878 -14.721 -2.209 1.00 0.00 C ATOM 0 HA PRO A 64 -23.159 -16.132 -5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -25.517 -17.055 -3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -23.965 -17.426 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -25.942 -15.281 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -25.023 -16.346 -1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -24.256 -13.771 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.082 -15.038 -1.535 1.00 0.00 H new ATOM 969 N PHE A 65 -25.709 -14.116 -5.063 1.00 0.00 N ATOM 970 CA PHE A 65 -26.711 -13.513 -5.935 1.00 0.00 C ATOM 971 C PHE A 65 -26.140 -12.299 -6.661 1.00 0.00 C ATOM 972 O PHE A 65 -25.521 -11.429 -6.048 1.00 0.00 O ATOM 973 CB PHE A 65 -27.943 -13.106 -5.126 1.00 0.00 C ATOM 974 CG PHE A 65 -28.883 -14.244 -4.850 1.00 0.00 C ATOM 975 CD1 PHE A 65 -29.412 -14.991 -5.890 1.00 0.00 C ATOM 976 CD2 PHE A 65 -29.237 -14.569 -3.550 1.00 0.00 C ATOM 977 CE1 PHE A 65 -30.278 -16.039 -5.639 1.00 0.00 C ATOM 978 CE2 PHE A 65 -30.102 -15.616 -3.292 1.00 0.00 C ATOM 979 CZ PHE A 65 -30.622 -16.353 -4.338 1.00 0.00 C ATOM 0 H PHE A 65 -25.655 -13.701 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 65 -27.003 -14.254 -6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -27.619 -12.675 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -28.479 -12.325 -5.665 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -29.145 -14.752 -6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -28.832 -13.997 -2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -30.685 -16.612 -6.459 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -30.371 -15.857 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 65 -31.296 -17.173 -4.139 1.00 0.00 H new ATOM 989 N LYS A 66 -26.353 -12.246 -7.972 1.00 0.00 N ATOM 990 CA LYS A 66 -25.862 -11.139 -8.784 1.00 0.00 C ATOM 991 C LYS A 66 -26.957 -10.614 -9.707 1.00 0.00 C ATOM 992 O LYS A 66 -27.757 -11.384 -10.238 1.00 0.00 O ATOM 993 CB LYS A 66 -24.653 -11.583 -9.610 1.00 0.00 C ATOM 994 CG LYS A 66 -23.472 -12.034 -8.767 1.00 0.00 C ATOM 995 CD LYS A 66 -22.551 -12.957 -9.546 1.00 0.00 C ATOM 996 CE LYS A 66 -21.580 -13.682 -8.626 1.00 0.00 C ATOM 997 NZ LYS A 66 -21.087 -14.951 -9.229 1.00 0.00 N ATOM 0 H LYS A 66 -26.863 -12.958 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.560 -10.335 -8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -24.953 -12.400 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -24.338 -10.759 -10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -22.913 -11.162 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -23.835 -12.547 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -23.146 -13.686 -10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.993 -12.379 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.733 -13.031 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -22.071 -13.898 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.428 -15.415 -8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.892 -15.582 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.596 -14.743 -10.122 1.00 0.00 H new ATOM 1011 N CYS A 67 -26.985 -9.299 -9.895 1.00 0.00 N ATOM 1012 CA CYS A 67 -27.980 -8.670 -10.756 1.00 0.00 C ATOM 1013 C CYS A 67 -27.490 -8.608 -12.199 1.00 0.00 C ATOM 1014 O CYS A 67 -26.336 -8.266 -12.459 1.00 0.00 O ATOM 1015 CB CYS A 67 -28.302 -7.261 -10.253 1.00 0.00 C ATOM 1016 SG CYS A 67 -29.574 -6.397 -11.229 1.00 0.00 S ATOM 0 H CYS A 67 -26.330 -8.648 -9.463 1.00 0.00 H new ATOM 0 HA CYS A 67 -28.886 -9.275 -10.725 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -28.634 -7.324 -9.217 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -27.388 -6.667 -10.259 1.00 0.00 H new ATOM 1021 N GLN A 68 -28.375 -8.940 -13.134 1.00 0.00 N ATOM 1022 CA GLN A 68 -28.032 -8.922 -14.551 1.00 0.00 C ATOM 1023 C GLN A 68 -27.781 -7.497 -15.032 1.00 0.00 C ATOM 1024 O GLN A 68 -26.684 -7.169 -15.486 1.00 0.00 O ATOM 1025 CB GLN A 68 -29.149 -9.563 -15.376 1.00 0.00 C ATOM 1026 CG GLN A 68 -29.334 -11.046 -15.101 1.00 0.00 C ATOM 1027 CD GLN A 68 -28.241 -11.895 -15.719 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -27.146 -12.015 -15.169 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -28.532 -12.490 -16.870 1.00 0.00 N ATOM 0 H GLN A 68 -29.334 -9.224 -12.936 1.00 0.00 H new ATOM 0 HA GLN A 68 -27.116 -9.497 -14.685 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -30.085 -9.044 -15.170 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -28.933 -9.423 -16.435 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -29.353 -11.212 -14.024 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -30.301 -11.366 -15.490 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -29.452 -12.363 -17.291 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -27.835 -13.074 -17.333 1.00 0.00 H new ATOM 1038 N ILE A 69 -28.804 -6.655 -14.930 1.00 0.00 N ATOM 1039 CA ILE A 69 -28.693 -5.265 -15.355 1.00 0.00 C ATOM 1040 C ILE A 69 -27.436 -4.615 -14.788 1.00 0.00 C ATOM 1041 O ILE A 69 -26.520 -4.258 -15.529 1.00 0.00 O ATOM 1042 CB ILE A 69 -29.922 -4.444 -14.920 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -31.204 -5.073 -15.471 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -29.789 -3.003 -15.388 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -32.440 -4.721 -14.674 1.00 0.00 C ATOM 0 H ILE A 69 -29.718 -6.911 -14.557 1.00 0.00 H new ATOM 0 HA ILE A 69 -28.636 -5.272 -16.444 1.00 0.00 H new ATOM 0 HB ILE A 69 -29.977 -4.448 -13.831 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -31.343 -4.751 -16.503 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -31.089 -6.157 -15.488 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -30.665 -2.436 -15.073 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -28.894 -2.560 -14.952 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -29.713 -2.979 -16.475 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -33.310 -5.201 -15.121 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -32.322 -5.068 -13.647 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -32.580 -3.640 -14.678 1.00 0.00 H new ATOM 1057 N CYS A 70 -27.397 -4.466 -13.468 1.00 0.00 N ATOM 1058 CA CYS A 70 -26.251 -3.861 -12.799 1.00 0.00 C ATOM 1059 C CYS A 70 -25.404 -4.923 -12.104 1.00 0.00 C ATOM 1060 O CYS A 70 -25.891 -5.984 -11.714 1.00 0.00 O ATOM 1061 CB CYS A 70 -26.720 -2.819 -11.782 1.00 0.00 C ATOM 1062 SG CYS A 70 -27.547 -3.526 -10.321 1.00 0.00 S ATOM 0 H CYS A 70 -28.146 -4.756 -12.840 1.00 0.00 H new ATOM 0 HA CYS A 70 -25.637 -3.370 -13.555 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -25.860 -2.236 -11.453 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -27.404 -2.128 -12.275 1.00 0.00 H new ATOM 1067 N PRO A 71 -24.105 -4.631 -11.943 1.00 0.00 N ATOM 1068 CA PRO A 71 -23.163 -5.547 -11.293 1.00 0.00 C ATOM 1069 C PRO A 71 -23.419 -5.676 -9.796 1.00 0.00 C ATOM 1070 O PRO A 71 -22.660 -6.330 -9.080 1.00 0.00 O ATOM 1071 CB PRO A 71 -21.801 -4.895 -11.548 1.00 0.00 C ATOM 1072 CG PRO A 71 -22.103 -3.447 -11.729 1.00 0.00 C ATOM 1073 CD PRO A 71 -23.456 -3.385 -12.383 1.00 0.00 C ATOM 0 HA PRO A 71 -23.246 -6.561 -11.684 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -21.122 -5.056 -10.711 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -21.321 -5.313 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -22.108 -2.927 -10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -21.347 -2.965 -12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -24.016 -2.506 -12.065 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -23.376 -3.336 -13.469 1.00 0.00 H new ATOM 1081 N TYR A 72 -24.493 -5.050 -9.328 1.00 0.00 N ATOM 1082 CA TYR A 72 -24.849 -5.094 -7.915 1.00 0.00 C ATOM 1083 C TYR A 72 -24.702 -6.507 -7.359 1.00 0.00 C ATOM 1084 O TYR A 72 -24.566 -7.471 -8.113 1.00 0.00 O ATOM 1085 CB TYR A 72 -26.283 -4.601 -7.712 1.00 0.00 C ATOM 1086 CG TYR A 72 -26.803 -4.810 -6.308 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -26.355 -4.021 -5.256 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -27.741 -5.797 -6.033 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -26.826 -4.209 -3.971 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -28.219 -5.991 -4.752 1.00 0.00 C ATOM 1091 CZ TYR A 72 -27.758 -5.195 -3.724 1.00 0.00 C ATOM 1092 OH TYR A 72 -28.231 -5.386 -2.446 1.00 0.00 O ATOM 0 H TYR A 72 -25.133 -4.506 -9.907 1.00 0.00 H new ATOM 0 HA TYR A 72 -24.166 -4.438 -7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -26.331 -3.539 -7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -26.938 -5.117 -8.414 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -25.626 -3.247 -5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -28.103 -6.424 -6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -26.466 -3.587 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -28.950 -6.762 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 72 -29.211 -5.411 -2.460 1.00 0.00 H new ATOM 1102 N ALA A 73 -24.731 -6.622 -6.036 1.00 0.00 N ATOM 1103 CA ALA A 73 -24.604 -7.916 -5.378 1.00 0.00 C ATOM 1104 C ALA A 73 -25.227 -7.889 -3.986 1.00 0.00 C ATOM 1105 O ALA A 73 -25.126 -6.892 -3.271 1.00 0.00 O ATOM 1106 CB ALA A 73 -23.141 -8.325 -5.296 1.00 0.00 C ATOM 0 H ALA A 73 -24.841 -5.834 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 73 -25.143 -8.653 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -23.061 -9.293 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -22.726 -8.395 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -22.586 -7.580 -4.726 1.00 0.00 H new ATOM 1112 N SER A 74 -25.871 -8.988 -3.610 1.00 0.00 N ATOM 1113 CA SER A 74 -26.515 -9.088 -2.305 1.00 0.00 C ATOM 1114 C SER A 74 -26.430 -10.512 -1.764 1.00 0.00 C ATOM 1115 O SER A 74 -26.492 -11.480 -2.523 1.00 0.00 O ATOM 1116 CB SER A 74 -27.978 -8.653 -2.400 1.00 0.00 C ATOM 1117 OG SER A 74 -28.423 -8.088 -1.178 1.00 0.00 O ATOM 0 H SER A 74 -25.961 -9.822 -4.190 1.00 0.00 H new ATOM 0 HA SER A 74 -25.990 -8.425 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.093 -7.926 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 74 -28.600 -9.511 -2.655 1.00 0.00 H new ATOM 0 HG SER A 74 -28.487 -7.115 -1.272 1.00 0.00 H new ATOM 1123 N ARG A 75 -26.287 -10.632 -0.449 1.00 0.00 N ATOM 1124 CA ARG A 75 -26.192 -11.937 0.194 1.00 0.00 C ATOM 1125 C ARG A 75 -27.571 -12.575 0.335 1.00 0.00 C ATOM 1126 O ARG A 75 -27.769 -13.734 -0.027 1.00 0.00 O ATOM 1127 CB ARG A 75 -25.537 -11.805 1.570 1.00 0.00 C ATOM 1128 CG ARG A 75 -25.427 -13.122 2.321 1.00 0.00 C ATOM 1129 CD ARG A 75 -24.133 -13.847 1.987 1.00 0.00 C ATOM 1130 NE ARG A 75 -22.993 -13.297 2.715 1.00 0.00 N ATOM 1131 CZ ARG A 75 -21.728 -13.497 2.361 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -21.444 -14.231 1.294 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -20.745 -12.963 3.075 1.00 0.00 N ATOM 0 H ARG A 75 -26.234 -9.841 0.193 1.00 0.00 H new ATOM 0 HA ARG A 75 -25.575 -12.580 -0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -24.540 -11.381 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -26.112 -11.101 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -25.474 -12.935 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -26.276 -13.757 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.239 -14.905 2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.946 -13.779 0.915 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.178 -12.728 3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -22.197 -14.643 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -20.472 -14.383 1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.960 -12.398 3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.774 -13.117 2.802 1.00 0.00 H new ATOM 1147 N ASN A 76 -28.521 -11.810 0.863 1.00 0.00 N ATOM 1148 CA ASN A 76 -29.881 -12.301 1.052 1.00 0.00 C ATOM 1149 C ASN A 76 -30.625 -12.367 -0.278 1.00 0.00 C ATOM 1150 O ASN A 76 -30.148 -11.863 -1.294 1.00 0.00 O ATOM 1151 CB ASN A 76 -30.639 -11.401 2.030 1.00 0.00 C ATOM 1152 CG ASN A 76 -32.002 -11.959 2.391 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -32.202 -13.173 2.416 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -32.949 -11.071 2.672 1.00 0.00 N ATOM 0 H ASN A 76 -28.374 -10.848 1.168 1.00 0.00 H new ATOM 0 HA ASN A 76 -29.823 -13.308 1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -30.048 -11.277 2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -30.760 -10.411 1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -33.886 -11.387 2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -32.739 -10.073 2.639 1.00 0.00 H new ATOM 1161 N SER A 77 -31.799 -12.992 -0.263 1.00 0.00 N ATOM 1162 CA SER A 77 -32.609 -13.126 -1.468 1.00 0.00 C ATOM 1163 C SER A 77 -33.568 -11.948 -1.612 1.00 0.00 C ATOM 1164 O SER A 77 -33.614 -11.296 -2.655 1.00 0.00 O ATOM 1165 CB SER A 77 -33.395 -14.438 -1.435 1.00 0.00 C ATOM 1166 OG SER A 77 -34.415 -14.446 -2.419 1.00 0.00 O ATOM 0 H SER A 77 -32.210 -13.413 0.570 1.00 0.00 H new ATOM 0 HA SER A 77 -31.939 -13.133 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 77 -32.718 -15.276 -1.602 1.00 0.00 H new ATOM 0 HB3 SER A 77 -33.836 -14.577 -0.448 1.00 0.00 H new ATOM 0 HG SER A 77 -34.902 -15.296 -2.379 1.00 0.00 H new ATOM 1172 N SER A 78 -34.332 -11.683 -0.557 1.00 0.00 N ATOM 1173 CA SER A 78 -35.293 -10.587 -0.567 1.00 0.00 C ATOM 1174 C SER A 78 -34.635 -9.291 -1.032 1.00 0.00 C ATOM 1175 O SER A 78 -35.047 -8.697 -2.028 1.00 0.00 O ATOM 1176 CB SER A 78 -35.893 -10.395 0.827 1.00 0.00 C ATOM 1177 OG SER A 78 -37.005 -9.516 0.788 1.00 0.00 O ATOM 0 H SER A 78 -34.304 -12.212 0.315 1.00 0.00 H new ATOM 0 HA SER A 78 -36.089 -10.841 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 78 -36.202 -11.360 1.229 1.00 0.00 H new ATOM 0 HB3 SER A 78 -35.134 -9.997 1.501 1.00 0.00 H new ATOM 0 HG SER A 78 -37.371 -9.411 1.691 1.00 0.00 H new ATOM 1183 N GLN A 79 -33.610 -8.860 -0.303 1.00 0.00 N ATOM 1184 CA GLN A 79 -32.896 -7.635 -0.641 1.00 0.00 C ATOM 1185 C GLN A 79 -32.764 -7.480 -2.152 1.00 0.00 C ATOM 1186 O GLN A 79 -33.116 -6.442 -2.714 1.00 0.00 O ATOM 1187 CB GLN A 79 -31.510 -7.633 0.007 1.00 0.00 C ATOM 1188 CG GLN A 79 -31.506 -7.109 1.434 1.00 0.00 C ATOM 1189 CD GLN A 79 -30.129 -7.153 2.068 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -29.173 -6.584 1.542 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -30.022 -7.830 3.205 1.00 0.00 N ATOM 0 H GLN A 79 -33.256 -9.341 0.524 1.00 0.00 H new ATOM 0 HA GLN A 79 -33.471 -6.792 -0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -31.114 -8.648 0.001 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -30.837 -7.024 -0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -31.872 -6.082 1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -32.198 -7.699 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -30.841 -8.287 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -29.120 -7.893 3.678 1.00 0.00 H new ATOM 1200 N LEU A 80 -32.253 -8.518 -2.806 1.00 0.00 N ATOM 1201 CA LEU A 80 -32.074 -8.497 -4.253 1.00 0.00 C ATOM 1202 C LEU A 80 -33.419 -8.417 -4.967 1.00 0.00 C ATOM 1203 O LEU A 80 -33.582 -7.660 -5.925 1.00 0.00 O ATOM 1204 CB LEU A 80 -31.315 -9.744 -4.711 1.00 0.00 C ATOM 1205 CG LEU A 80 -31.062 -9.862 -6.214 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -29.807 -9.099 -6.606 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -30.949 -11.324 -6.623 1.00 0.00 C ATOM 0 H LEU A 80 -31.956 -9.384 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 80 -31.494 -7.611 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -30.354 -9.768 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -31.872 -10.623 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 80 -31.909 -9.422 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -29.643 -9.195 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.926 -8.046 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -28.950 -9.508 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -30.769 -11.389 -7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -30.121 -11.789 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -31.876 -11.843 -6.379 1.00 0.00 H new ATOM 1219 N THR A 81 -34.383 -9.201 -4.494 1.00 0.00 N ATOM 1220 CA THR A 81 -35.715 -9.218 -5.086 1.00 0.00 C ATOM 1221 C THR A 81 -36.265 -7.805 -5.241 1.00 0.00 C ATOM 1222 O THR A 81 -36.733 -7.425 -6.314 1.00 0.00 O ATOM 1223 CB THR A 81 -36.696 -10.049 -4.238 1.00 0.00 C ATOM 1224 OG1 THR A 81 -36.195 -11.380 -4.073 1.00 0.00 O ATOM 1225 CG2 THR A 81 -38.070 -10.095 -4.890 1.00 0.00 C ATOM 0 H THR A 81 -34.266 -9.833 -3.702 1.00 0.00 H new ATOM 0 HA THR A 81 -35.618 -9.677 -6.070 1.00 0.00 H new ATOM 0 HB THR A 81 -36.791 -9.574 -3.262 1.00 0.00 H new ATOM 0 HG1 THR A 81 -35.424 -11.367 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 81 -38.746 -10.687 -4.273 1.00 0.00 H new ATOM 0 HG22 THR A 81 -38.461 -9.082 -4.987 1.00 0.00 H new ATOM 0 HG23 THR A 81 -37.989 -10.549 -5.878 1.00 0.00 H new ATOM 1233 N VAL A 82 -36.206 -7.030 -4.163 1.00 0.00 N ATOM 1234 CA VAL A 82 -36.698 -5.657 -4.180 1.00 0.00 C ATOM 1235 C VAL A 82 -35.777 -4.754 -4.992 1.00 0.00 C ATOM 1236 O VAL A 82 -36.237 -3.901 -5.751 1.00 0.00 O ATOM 1237 CB VAL A 82 -36.828 -5.090 -2.754 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -37.297 -3.644 -2.795 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -37.777 -5.944 -1.926 1.00 0.00 C ATOM 0 H VAL A 82 -35.822 -7.329 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 82 -37.683 -5.679 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 82 -35.846 -5.115 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -37.383 -3.260 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -36.576 -3.043 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -38.268 -3.590 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -37.857 -5.529 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -38.761 -5.953 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -37.393 -6.963 -1.868 1.00 0.00 H new ATOM 1249 N HIS A 83 -34.472 -4.947 -4.828 1.00 0.00 N ATOM 1250 CA HIS A 83 -33.484 -4.150 -5.547 1.00 0.00 C ATOM 1251 C HIS A 83 -33.821 -4.080 -7.034 1.00 0.00 C ATOM 1252 O HIS A 83 -33.733 -3.019 -7.652 1.00 0.00 O ATOM 1253 CB HIS A 83 -32.086 -4.738 -5.356 1.00 0.00 C ATOM 1254 CG HIS A 83 -31.172 -4.498 -6.518 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -30.122 -3.605 -6.477 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -31.153 -5.041 -7.757 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -29.498 -3.608 -7.641 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -30.104 -4.472 -8.436 1.00 0.00 N ATOM 0 H HIS A 83 -34.074 -5.648 -4.204 1.00 0.00 H new ATOM 0 HA HIS A 83 -33.503 -3.139 -5.140 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -31.640 -4.309 -4.459 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -32.172 -5.811 -5.188 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -29.867 -3.032 -5.673 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -31.836 -5.784 -8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -28.639 -3.007 -7.899 1.00 0.00 H new ATOM 1266 N LEU A 84 -34.207 -5.217 -7.602 1.00 0.00 N ATOM 1267 CA LEU A 84 -34.557 -5.286 -9.016 1.00 0.00 C ATOM 1268 C LEU A 84 -35.613 -4.243 -9.367 1.00 0.00 C ATOM 1269 O LEU A 84 -35.440 -3.458 -10.299 1.00 0.00 O ATOM 1270 CB LEU A 84 -35.066 -6.684 -9.369 1.00 0.00 C ATOM 1271 CG LEU A 84 -34.010 -7.788 -9.430 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -34.670 -9.152 -9.564 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -33.048 -7.543 -10.584 1.00 0.00 C ATOM 0 H LEU A 84 -34.286 -6.104 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 84 -33.659 -5.077 -9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -35.820 -6.970 -8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -35.566 -6.633 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 84 -33.442 -7.772 -8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -33.903 -9.925 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -35.317 -9.329 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -35.264 -9.181 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -32.303 -8.338 -10.612 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -33.602 -7.531 -11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -32.549 -6.584 -10.445 1.00 0.00 H new ATOM 1285 N ARG A 85 -36.708 -4.240 -8.613 1.00 0.00 N ATOM 1286 CA ARG A 85 -37.792 -3.294 -8.843 1.00 0.00 C ATOM 1287 C ARG A 85 -37.244 -1.906 -9.163 1.00 0.00 C ATOM 1288 O ARG A 85 -37.728 -1.231 -10.071 1.00 0.00 O ATOM 1289 CB ARG A 85 -38.705 -3.223 -7.618 1.00 0.00 C ATOM 1290 CG ARG A 85 -39.705 -4.365 -7.536 1.00 0.00 C ATOM 1291 CD ARG A 85 -40.726 -4.133 -6.434 1.00 0.00 C ATOM 1292 NE ARG A 85 -41.866 -3.349 -6.900 1.00 0.00 N ATOM 1293 CZ ARG A 85 -42.818 -3.834 -7.690 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -42.767 -5.094 -8.098 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -43.824 -3.057 -8.072 1.00 0.00 N ATOM 0 H ARG A 85 -36.867 -4.883 -7.837 1.00 0.00 H new ATOM 0 HA ARG A 85 -38.370 -3.644 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -38.091 -3.224 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -39.247 -2.277 -7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -40.218 -4.471 -8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -39.176 -5.300 -7.353 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -41.077 -5.094 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -40.249 -3.618 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 85 -41.935 -2.376 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -41.996 -5.694 -7.806 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -43.499 -5.464 -8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -43.867 -2.087 -7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -44.555 -3.430 -8.678 1.00 0.00 H new ATOM 1309 N SER A 86 -36.231 -1.488 -8.411 1.00 0.00 N ATOM 1310 CA SER A 86 -35.619 -0.179 -8.612 1.00 0.00 C ATOM 1311 C SER A 86 -35.456 0.122 -10.098 1.00 0.00 C ATOM 1312 O SER A 86 -35.723 1.236 -10.551 1.00 0.00 O ATOM 1313 CB SER A 86 -34.259 -0.117 -7.915 1.00 0.00 C ATOM 1314 OG SER A 86 -33.865 1.225 -7.684 1.00 0.00 O ATOM 0 H SER A 86 -35.817 -2.036 -7.657 1.00 0.00 H new ATOM 0 HA SER A 86 -36.277 0.573 -8.177 1.00 0.00 H new ATOM 0 HB2 SER A 86 -34.308 -0.653 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 86 -33.510 -0.619 -8.527 1.00 0.00 H new ATOM 0 HG SER A 86 -32.993 1.238 -7.236 1.00 0.00 H new ATOM 1320 N HIS A 87 -35.016 -0.879 -10.854 1.00 0.00 N ATOM 1321 CA HIS A 87 -34.818 -0.723 -12.290 1.00 0.00 C ATOM 1322 C HIS A 87 -36.155 -0.572 -13.011 1.00 0.00 C ATOM 1323 O HIS A 87 -36.724 -1.550 -13.497 1.00 0.00 O ATOM 1324 CB HIS A 87 -34.054 -1.921 -12.854 1.00 0.00 C ATOM 1325 CG HIS A 87 -32.751 -2.180 -12.162 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -31.718 -1.268 -12.136 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -32.317 -3.257 -11.466 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -30.704 -1.772 -11.456 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -31.043 -2.979 -11.038 1.00 0.00 N ATOM 0 H HIS A 87 -34.790 -1.807 -10.496 1.00 0.00 H new ATOM 0 HA HIS A 87 -34.233 0.182 -12.454 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -34.680 -2.810 -12.777 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -33.866 -1.755 -13.915 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -31.734 -0.347 -12.574 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -32.870 -4.166 -11.282 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -29.759 -1.282 -11.273 1.00 0.00 H new ATOM 1337 N THR A 88 -36.652 0.659 -13.075 1.00 0.00 N ATOM 1338 CA THR A 88 -37.922 0.937 -13.733 1.00 0.00 C ATOM 1339 C THR A 88 -37.716 1.270 -15.206 1.00 0.00 C ATOM 1340 O THR A 88 -38.452 0.794 -16.069 1.00 0.00 O ATOM 1341 CB THR A 88 -38.663 2.104 -13.053 1.00 0.00 C ATOM 1342 OG1 THR A 88 -37.829 3.268 -13.030 1.00 0.00 O ATOM 1343 CG2 THR A 88 -39.067 1.735 -11.634 1.00 0.00 C ATOM 0 H THR A 88 -36.194 1.480 -12.679 1.00 0.00 H new ATOM 0 HA THR A 88 -38.527 0.034 -13.649 1.00 0.00 H new ATOM 0 HB THR A 88 -39.565 2.316 -13.627 1.00 0.00 H new ATOM 0 HG1 THR A 88 -38.308 4.005 -12.598 1.00 0.00 H new ATOM 0 HG21 THR A 88 -39.589 2.574 -11.174 1.00 0.00 H new ATOM 0 HG22 THR A 88 -39.726 0.867 -11.657 1.00 0.00 H new ATOM 0 HG23 THR A 88 -38.176 1.499 -11.052 1.00 0.00 H new ATOM 1351 N GLY A 89 -36.709 2.091 -15.488 1.00 0.00 N ATOM 1352 CA GLY A 89 -36.424 2.473 -16.859 1.00 0.00 C ATOM 1353 C GLY A 89 -34.980 2.888 -17.057 1.00 0.00 C ATOM 1354 O GLY A 89 -34.420 3.622 -16.241 1.00 0.00 O ATOM 0 H GLY A 89 -36.085 2.499 -14.791 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -36.653 1.638 -17.521 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -37.078 3.296 -17.147 1.00 0.00 H new ATOM 1358 N ASP A 90 -34.374 2.418 -18.141 1.00 0.00 N ATOM 1359 CA ASP A 90 -32.985 2.744 -18.444 1.00 0.00 C ATOM 1360 C ASP A 90 -32.692 4.210 -18.139 1.00 0.00 C ATOM 1361 O ASP A 90 -33.482 5.093 -18.472 1.00 0.00 O ATOM 1362 CB ASP A 90 -32.677 2.444 -19.912 1.00 0.00 C ATOM 1363 CG ASP A 90 -32.770 0.966 -20.233 1.00 0.00 C ATOM 1364 OD1 ASP A 90 -32.127 0.163 -19.525 1.00 0.00 O ATOM 1365 OD2 ASP A 90 -33.488 0.611 -21.191 1.00 0.00 O ATOM 0 H ASP A 90 -34.823 1.809 -18.825 1.00 0.00 H new ATOM 0 HA ASP A 90 -32.346 2.126 -17.813 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -33.372 2.995 -20.546 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.676 2.802 -20.151 1.00 0.00 H new ATOM 1370 N SER A 91 -31.553 4.460 -17.502 1.00 0.00 N ATOM 1371 CA SER A 91 -31.158 5.819 -17.148 1.00 0.00 C ATOM 1372 C SER A 91 -30.601 6.557 -18.361 1.00 0.00 C ATOM 1373 O SER A 91 -29.460 6.336 -18.766 1.00 0.00 O ATOM 1374 CB SER A 91 -30.115 5.793 -16.028 1.00 0.00 C ATOM 1375 OG SER A 91 -30.023 7.054 -15.388 1.00 0.00 O ATOM 0 H SER A 91 -30.887 3.740 -17.220 1.00 0.00 H new ATOM 0 HA SER A 91 -32.044 6.349 -16.798 1.00 0.00 H new ATOM 0 HB2 SER A 91 -30.380 5.029 -15.297 1.00 0.00 H new ATOM 0 HB3 SER A 91 -29.143 5.518 -16.438 1.00 0.00 H new ATOM 0 HG SER A 91 -29.352 7.011 -14.675 1.00 0.00 H new ATOM 1381 N GLY A 92 -31.416 7.435 -18.937 1.00 0.00 N ATOM 1382 CA GLY A 92 -30.988 8.193 -20.098 1.00 0.00 C ATOM 1383 C GLY A 92 -31.572 7.655 -21.389 1.00 0.00 C ATOM 1384 O GLY A 92 -31.855 6.463 -21.518 1.00 0.00 O ATOM 0 H GLY A 92 -32.365 7.635 -18.620 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -31.282 9.235 -19.976 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -29.900 8.174 -20.159 1.00 0.00 H new ATOM 1388 N PRO A 93 -31.763 8.545 -22.374 1.00 0.00 N ATOM 1389 CA PRO A 93 -32.320 8.176 -23.678 1.00 0.00 C ATOM 1390 C PRO A 93 -31.357 7.327 -24.501 1.00 0.00 C ATOM 1391 O PRO A 93 -31.702 6.852 -25.583 1.00 0.00 O ATOM 1392 CB PRO A 93 -32.556 9.527 -24.359 1.00 0.00 C ATOM 1393 CG PRO A 93 -31.584 10.452 -23.711 1.00 0.00 C ATOM 1394 CD PRO A 93 -31.449 9.982 -22.290 1.00 0.00 C ATOM 0 HA PRO A 93 -33.220 7.570 -23.579 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -32.386 9.464 -25.434 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -33.582 9.868 -24.218 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -30.622 10.428 -24.223 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -31.940 11.481 -23.749 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -30.444 10.152 -21.905 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -32.137 10.506 -21.627 1.00 0.00 H new ATOM 1402 N SER A 94 -30.149 7.138 -23.980 1.00 0.00 N ATOM 1403 CA SER A 94 -29.134 6.348 -24.668 1.00 0.00 C ATOM 1404 C SER A 94 -29.156 4.900 -24.188 1.00 0.00 C ATOM 1405 O SER A 94 -28.609 4.575 -23.135 1.00 0.00 O ATOM 1406 CB SER A 94 -27.747 6.952 -24.441 1.00 0.00 C ATOM 1407 OG SER A 94 -27.535 8.074 -25.280 1.00 0.00 O ATOM 0 H SER A 94 -29.849 7.521 -23.084 1.00 0.00 H new ATOM 0 HA SER A 94 -29.358 6.362 -25.735 1.00 0.00 H new ATOM 0 HB2 SER A 94 -27.643 7.250 -23.398 1.00 0.00 H new ATOM 0 HB3 SER A 94 -26.983 6.199 -24.635 1.00 0.00 H new ATOM 0 HG SER A 94 -26.642 8.442 -25.114 1.00 0.00 H new ATOM 1413 N SER A 95 -29.793 4.034 -24.970 1.00 0.00 N ATOM 1414 CA SER A 95 -29.890 2.621 -24.625 1.00 0.00 C ATOM 1415 C SER A 95 -28.879 1.797 -25.417 1.00 0.00 C ATOM 1416 O SER A 95 -28.754 1.948 -26.632 1.00 0.00 O ATOM 1417 CB SER A 95 -31.306 2.105 -24.892 1.00 0.00 C ATOM 1418 OG SER A 95 -32.180 2.441 -23.828 1.00 0.00 O ATOM 0 H SER A 95 -30.249 4.286 -25.847 1.00 0.00 H new ATOM 0 HA SER A 95 -29.666 2.516 -23.563 1.00 0.00 H new ATOM 0 HB2 SER A 95 -31.682 2.529 -25.823 1.00 0.00 H new ATOM 0 HB3 SER A 95 -31.284 1.023 -25.021 1.00 0.00 H new ATOM 0 HG SER A 95 -33.078 2.102 -24.023 1.00 0.00 H new ATOM 1424 N GLY A 96 -28.159 0.925 -24.719 1.00 0.00 N ATOM 1425 CA GLY A 96 -27.168 0.090 -25.372 1.00 0.00 C ATOM 1426 C GLY A 96 -27.781 -1.129 -26.032 1.00 0.00 C ATOM 1427 O GLY A 96 -27.939 -2.153 -25.369 1.00 0.00 O ATOM 0 H GLY A 96 -28.244 0.782 -23.713 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -26.639 0.678 -26.122 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -26.428 -0.231 -24.639 1.00 0.00 H new TER 1431 GLY A 96 HETATM 1432 ZN ZN A 191 10.458 -14.006 -4.730 1.00 0.00 ZN HETATM 1433 ZN ZN A 241 -7.530 -17.143 -7.581 1.00 0.00 ZN HETATM 1434 ZN ZN A 291 -29.646 -4.213 -10.471 1.00 0.00 ZN