USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 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 22 HIS HE2 : A 22 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD Set 1.1: A 78 SER OG : rot -120:sc= -0.0404 USER MOD Set 1.2: A 251 HEM CMA :methyl -30:sc= -0.893 (180deg=-1.32) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00622 USER MOD Single : A 15 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.99 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -155:sc= -0.744 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -179:sc= 0.109 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 98:sc= -0.167 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -76:sc= -1.24 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS :FLIP no HE2:sc= -6.06! C(o=-7.6!,f=-6.1!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -95:sc= 1.27 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 82:sc= 1.13 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -169:sc= 1.54 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 HEM CMA :methyl -30:sc= -0.376 (180deg=-1.12) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -0.737 (180deg=-3.25!) USER MOD Single : A 233 HEM CMC :methyl 150:sc= -1.88 (180deg=-1.88) USER MOD Single : A 233 HEM CMD :methyl 150:sc= -0.518 (180deg=-0.518) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -0.314 (180deg=-2.01) USER MOD Single : A 251 HEM CMC :methyl -30:sc= -0.738 (180deg=-3.61!) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -0.0817 (180deg=-2.1!) USER MOD Single : A 282 HEM CMA :methyl 150:sc= -0.24 (180deg=-0.24) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -3.29 (180deg=-5.84!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -5.84! (180deg=-8.89!) USER MOD Single : A 282 HEM CMD :methyl 150:sc= -0.0645 (180deg=-0.0645) USER MOD Single : A 305 HEM CMA :methyl 150:sc= -0.0399 (180deg=-0.0399) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.949 (180deg=-0.949) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -7.23! (180deg=-8.88!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -1.08 (180deg=-4.64!) USER MOD ----------------------------------------------------------------- ATOM 1 CA ALA A 1 -16.027 5.236 8.946 1.00 1.00 C ATOM 2 C ALA A 1 -16.830 4.484 7.883 1.00 1.00 C ATOM 3 O ALA A 1 -17.796 3.782 8.170 1.00 1.00 O ATOM 4 CB ALA A 1 -14.743 4.501 9.336 1.00 1.00 C ATOM 10 N PRO A 2 -16.401 4.650 6.629 1.00 1.00 N ATOM 11 CA PRO A 2 -17.009 4.033 5.470 1.00 1.00 C ATOM 12 C PRO A 2 -17.092 2.528 5.678 1.00 1.00 C ATOM 13 O PRO A 2 -16.548 2.034 6.665 1.00 1.00 O ATOM 14 CB PRO A 2 -16.077 4.375 4.310 1.00 1.00 C ATOM 15 CG PRO A 2 -14.776 4.881 4.935 1.00 1.00 C ATOM 16 CD PRO A 2 -15.268 5.469 6.255 1.00 1.00 C ATOM 0 HA PRO A 2 -18.024 4.385 5.285 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -15.894 3.499 3.688 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -16.520 5.135 3.667 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -14.057 4.076 5.089 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -14.288 5.630 4.311 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -14.489 5.437 7.017 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -15.557 6.514 6.139 1.00 1.00 H new ATOM 24 N ALA A 3 -17.759 1.838 4.765 1.00 1.00 N ATOM 25 CA ALA A 3 -17.899 0.395 4.871 1.00 1.00 C ATOM 26 C ALA A 3 -16.715 -0.280 4.175 1.00 1.00 C ATOM 27 O ALA A 3 -16.493 -0.076 2.982 1.00 1.00 O ATOM 28 CB ALA A 3 -19.244 -0.032 4.280 1.00 1.00 C ATOM 0 H ALA A 3 -18.209 2.251 3.948 1.00 1.00 H new ATOM 0 HA ALA A 3 -17.889 0.084 5.916 1.00 1.00 H new ATOM 0 HB1 ALA A 3 -19.349 -1.114 4.359 1.00 1.00 H new ATOM 0 HB2 ALA A 3 -20.052 0.452 4.828 1.00 1.00 H new ATOM 0 HB3 ALA A 3 -19.290 0.261 3.231 1.00 1.00 H new ATOM 34 N VAL A 4 -15.986 -1.069 4.950 1.00 1.00 N ATOM 35 CA VAL A 4 -14.831 -1.775 4.423 1.00 1.00 C ATOM 36 C VAL A 4 -15.153 -2.297 3.021 1.00 1.00 C ATOM 37 O VAL A 4 -16.110 -3.037 2.804 1.00 1.00 O ATOM 38 CB VAL A 4 -14.408 -2.883 5.391 1.00 1.00 C ATOM 39 CG1 VAL A 4 -15.242 -4.147 5.174 1.00 1.00 C ATOM 40 CG2 VAL A 4 -12.914 -3.183 5.262 1.00 1.00 C ATOM 0 H VAL A 4 -16.173 -1.235 5.939 1.00 1.00 H new ATOM 0 HA VAL A 4 -13.980 -1.100 4.331 1.00 1.00 H new ATOM 0 HB VAL A 4 -14.592 -2.530 6.406 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -14.922 -4.919 5.874 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -16.295 -3.921 5.340 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -15.104 -4.503 4.153 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -12.640 -3.974 5.961 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -12.694 -3.506 4.244 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -12.341 -2.284 5.489 1.00 1.00 H new ATOM 50 N PRO A 5 -14.319 -1.888 2.062 1.00 1.00 N ATOM 51 CA PRO A 5 -14.435 -2.260 0.668 1.00 1.00 C ATOM 52 C PRO A 5 -14.499 -3.776 0.548 1.00 1.00 C ATOM 53 O PRO A 5 -13.767 -4.460 1.262 1.00 1.00 O ATOM 54 CB PRO A 5 -13.170 -1.712 0.011 1.00 1.00 C ATOM 55 CG PRO A 5 -12.790 -0.525 0.892 1.00 1.00 C ATOM 56 CD PRO A 5 -13.184 -1.019 2.282 1.00 1.00 C ATOM 0 HA PRO A 5 -15.335 -1.865 0.196 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -12.377 -2.460 -0.017 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -13.354 -1.404 -1.018 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -11.727 -0.294 0.828 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -13.330 0.379 0.613 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -12.363 -1.555 2.758 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -13.444 -0.188 2.937 1.00 1.00 H new ATOM 64 N ASP A 6 -15.357 -4.266 -0.335 1.00 1.00 N ATOM 65 CA ASP A 6 -15.497 -5.700 -0.526 1.00 1.00 C ATOM 66 C ASP A 6 -14.744 -6.117 -1.790 1.00 1.00 C ATOM 67 O ASP A 6 -13.674 -6.718 -1.709 1.00 1.00 O ATOM 68 CB ASP A 6 -16.966 -6.091 -0.700 1.00 1.00 C ATOM 69 CG ASP A 6 -17.855 -5.009 -1.316 1.00 1.00 C ATOM 70 OD1 ASP A 6 -17.365 -4.075 -1.969 1.00 1.00 O ATOM 71 OD2 ASP A 6 -19.119 -5.154 -1.102 1.00 1.00 O ATOM 0 H ASP A 6 -15.962 -3.696 -0.926 1.00 1.00 H new ATOM 0 HA ASP A 6 -15.093 -6.199 0.355 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -17.017 -6.982 -1.326 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -17.372 -6.362 0.275 1.00 1.00 H new ATOM 77 N LYS A 7 -15.332 -5.782 -2.929 1.00 1.00 N ATOM 78 CA LYS A 7 -14.730 -6.114 -4.209 1.00 1.00 C ATOM 79 C LYS A 7 -13.355 -5.450 -4.308 1.00 1.00 C ATOM 80 O LYS A 7 -13.158 -4.297 -3.931 1.00 1.00 O ATOM 81 CB LYS A 7 -15.673 -5.749 -5.357 1.00 1.00 C ATOM 82 CG LYS A 7 -16.757 -6.815 -5.536 1.00 1.00 C ATOM 83 CD LYS A 7 -16.617 -7.516 -6.888 1.00 1.00 C ATOM 84 CE LYS A 7 -15.905 -8.862 -6.738 1.00 1.00 C ATOM 85 NZ LYS A 7 -16.384 -9.819 -7.759 1.00 1.00 N ATOM 0 H LYS A 7 -16.220 -5.284 -2.992 1.00 1.00 H new ATOM 0 HA LYS A 7 -14.572 -7.190 -4.288 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -16.137 -4.783 -5.158 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -15.104 -5.645 -6.281 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -16.687 -7.549 -4.733 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -17.742 -6.354 -5.462 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -17.603 -7.669 -7.326 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -16.059 -6.880 -7.575 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -14.828 -8.724 -6.838 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -16.083 -9.265 -5.741 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -15.890 -10.727 -7.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -17.408 -9.964 -7.645 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -16.191 -9.440 -8.708 1.00 1.00 H new ATOM 98 N PRO A 8 -12.395 -6.215 -4.834 1.00 1.00 N ATOM 99 CA PRO A 8 -11.025 -5.790 -5.023 1.00 1.00 C ATOM 100 C PRO A 8 -11.002 -4.371 -5.572 1.00 1.00 C ATOM 101 O PRO A 8 -11.884 -4.023 -6.356 1.00 1.00 O ATOM 102 CB PRO A 8 -10.444 -6.778 -6.033 1.00 1.00 C ATOM 103 CG PRO A 8 -11.219 -8.029 -5.778 1.00 1.00 C ATOM 104 CD PRO A 8 -12.592 -7.575 -5.288 1.00 1.00 C ATOM 0 HA PRO A 8 -10.451 -5.782 -4.096 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -10.572 -6.428 -7.057 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -9.376 -6.929 -5.879 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -11.306 -8.627 -6.685 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -10.724 -8.651 -5.032 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -13.332 -7.621 -6.087 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -12.954 -8.212 -4.481 1.00 1.00 H new ATOM 112 N VAL A 9 -10.014 -3.590 -5.160 1.00 1.00 N ATOM 113 CA VAL A 9 -9.901 -2.218 -5.622 1.00 1.00 C ATOM 114 C VAL A 9 -8.656 -2.081 -6.501 1.00 1.00 C ATOM 115 O VAL A 9 -7.628 -2.699 -6.228 1.00 1.00 O ATOM 116 CB VAL A 9 -9.898 -1.261 -4.428 1.00 1.00 C ATOM 117 CG1 VAL A 9 -11.311 -1.078 -3.869 1.00 1.00 C ATOM 118 CG2 VAL A 9 -8.936 -1.745 -3.341 1.00 1.00 C ATOM 0 H VAL A 9 -9.284 -3.882 -4.510 1.00 1.00 H new ATOM 0 HA VAL A 9 -10.762 -1.950 -6.234 1.00 1.00 H new ATOM 0 HB VAL A 9 -9.548 -0.290 -4.777 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -11.281 -0.393 -3.021 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -11.959 -0.668 -4.644 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -11.701 -2.042 -3.543 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -8.953 -1.047 -2.504 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -9.243 -2.733 -2.997 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -7.926 -1.800 -3.747 1.00 1.00 H new ATOM 128 N GLU A 10 -8.789 -1.267 -7.538 1.00 1.00 N ATOM 129 CA GLU A 10 -7.688 -1.041 -8.458 1.00 1.00 C ATOM 130 C GLU A 10 -6.887 0.192 -8.036 1.00 1.00 C ATOM 131 O GLU A 10 -7.461 1.246 -7.764 1.00 1.00 O ATOM 132 CB GLU A 10 -8.194 -0.900 -9.895 1.00 1.00 C ATOM 133 CG GLU A 10 -9.334 -1.882 -10.174 1.00 1.00 C ATOM 134 CD GLU A 10 -9.768 -1.817 -11.640 1.00 1.00 C ATOM 135 OE1 GLU A 10 -10.858 -1.311 -11.942 1.00 1.00 O ATOM 136 OE2 GLU A 10 -8.926 -2.316 -12.480 1.00 1.00 O ATOM 0 H GLU A 10 -9.643 -0.756 -7.761 1.00 1.00 H new ATOM 0 HA GLU A 10 -7.028 -1.908 -8.423 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -8.538 0.120 -10.065 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -7.375 -1.080 -10.592 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -9.014 -2.895 -9.931 1.00 1.00 H new ATOM 0 HG3 GLU A 10 -10.182 -1.652 -9.529 1.00 1.00 H new ATOM 144 N VAL A 11 -5.574 0.020 -7.994 1.00 1.00 N ATOM 145 CA VAL A 11 -4.689 1.106 -7.609 1.00 1.00 C ATOM 146 C VAL A 11 -4.003 1.666 -8.856 1.00 1.00 C ATOM 147 O VAL A 11 -2.795 1.510 -9.028 1.00 1.00 O ATOM 148 CB VAL A 11 -3.698 0.622 -6.548 1.00 1.00 C ATOM 149 CG1 VAL A 11 -2.749 1.748 -6.130 1.00 1.00 C ATOM 150 CG2 VAL A 11 -4.431 0.045 -5.335 1.00 1.00 C ATOM 0 H VAL A 11 -5.102 -0.855 -8.220 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.257 1.920 -7.158 1.00 1.00 H new ATOM 0 HB VAL A 11 -3.099 -0.175 -6.988 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -2.055 1.378 -5.375 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -2.189 2.094 -6.999 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -3.326 2.576 -5.717 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -3.703 -0.291 -4.596 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -5.066 0.813 -4.895 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -5.046 -0.798 -5.649 1.00 1.00 H new ATOM 160 N LYS A 12 -4.804 2.306 -9.695 1.00 1.00 N ATOM 161 CA LYS A 12 -4.289 2.891 -10.922 1.00 1.00 C ATOM 162 C LYS A 12 -3.165 3.871 -10.583 1.00 1.00 C ATOM 163 O LYS A 12 -3.244 4.592 -9.589 1.00 1.00 O ATOM 164 CB LYS A 12 -5.424 3.514 -11.736 1.00 1.00 C ATOM 165 CG LYS A 12 -6.211 2.441 -12.492 1.00 1.00 C ATOM 166 CD LYS A 12 -6.447 2.856 -13.945 1.00 1.00 C ATOM 167 CE LYS A 12 -7.800 3.552 -14.104 1.00 1.00 C ATOM 168 NZ LYS A 12 -7.740 4.563 -15.183 1.00 1.00 N ATOM 0 H LYS A 12 -5.806 2.432 -9.550 1.00 1.00 H new ATOM 0 HA LYS A 12 -3.857 2.119 -11.559 1.00 1.00 H new ATOM 0 HB2 LYS A 12 -6.094 4.061 -11.073 1.00 1.00 H new ATOM 0 HB3 LYS A 12 -5.015 4.236 -12.443 1.00 1.00 H new ATOM 0 HG2 LYS A 12 -5.666 1.497 -12.464 1.00 1.00 H new ATOM 0 HG3 LYS A 12 -7.168 2.271 -11.998 1.00 1.00 H new ATOM 0 HD2 LYS A 12 -5.650 3.525 -14.270 1.00 1.00 H new ATOM 0 HD3 LYS A 12 -6.408 1.977 -14.589 1.00 1.00 H new ATOM 0 HE2 LYS A 12 -8.570 2.815 -14.331 1.00 1.00 H new ATOM 0 HE3 LYS A 12 -8.082 4.029 -13.166 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 -8.667 5.026 -15.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 -7.019 5.276 -14.951 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 -7.492 4.099 -16.080 1.00 1.00 H new ATOM 181 N GLY A 13 -2.144 3.867 -11.427 1.00 1.00 N ATOM 182 CA GLY A 13 -1.005 4.747 -11.229 1.00 1.00 C ATOM 183 C GLY A 13 -0.658 5.494 -12.518 1.00 1.00 C ATOM 184 O GLY A 13 -1.532 6.083 -13.153 1.00 1.00 O ATOM 0 H GLY A 13 -2.082 3.268 -12.250 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -1.228 5.463 -10.438 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -0.144 4.165 -10.899 1.00 1.00 H new ATOM 188 N SER A 14 0.619 5.446 -12.867 1.00 1.00 N ATOM 189 CA SER A 14 1.092 6.111 -14.070 1.00 1.00 C ATOM 190 C SER A 14 0.587 5.370 -15.310 1.00 1.00 C ATOM 191 O SER A 14 -0.096 5.954 -16.150 1.00 1.00 O ATOM 192 CB SER A 14 2.620 6.196 -14.087 1.00 1.00 C ATOM 193 OG SER A 14 3.227 4.942 -13.789 1.00 1.00 O ATOM 0 H SER A 14 1.341 4.957 -12.338 1.00 1.00 H new ATOM 0 HA SER A 14 0.699 7.127 -14.077 1.00 1.00 H new ATOM 0 HB2 SER A 14 2.953 6.536 -15.067 1.00 1.00 H new ATOM 0 HB3 SER A 14 2.950 6.940 -13.362 1.00 1.00 H new ATOM 0 HG SER A 14 4.202 5.037 -13.811 1.00 1.00 H new ATOM 199 N GLN A 15 0.943 4.096 -15.385 1.00 1.00 N ATOM 200 CA GLN A 15 0.535 3.270 -16.509 1.00 1.00 C ATOM 201 C GLN A 15 0.436 1.804 -16.081 1.00 1.00 C ATOM 202 O GLN A 15 0.543 0.904 -16.912 1.00 1.00 O ATOM 203 CB GLN A 15 1.496 3.434 -17.688 1.00 1.00 C ATOM 204 CG GLN A 15 0.935 4.414 -18.721 1.00 1.00 C ATOM 205 CD GLN A 15 -0.260 3.806 -19.459 1.00 1.00 C ATOM 206 OE1 GLN A 15 -0.349 2.608 -19.669 1.00 1.00 O ATOM 207 NE2 GLN A 15 -1.170 4.697 -19.841 1.00 1.00 N ATOM 0 H GLN A 15 1.509 3.616 -14.686 1.00 1.00 H new ATOM 0 HA GLN A 15 -0.450 3.600 -16.839 1.00 1.00 H new ATOM 0 HB2 GLN A 15 2.461 3.792 -17.328 1.00 1.00 H new ATOM 0 HB3 GLN A 15 1.670 2.466 -18.157 1.00 1.00 H new ATOM 0 HG2 GLN A 15 0.631 5.336 -18.226 1.00 1.00 H new ATOM 0 HG3 GLN A 15 1.713 4.679 -19.437 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -1.034 5.686 -19.633 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -2.004 4.391 -20.342 1.00 1.00 H new ATOM 216 N LYS A 16 0.233 1.611 -14.787 1.00 1.00 N ATOM 217 CA LYS A 16 0.119 0.270 -14.239 1.00 1.00 C ATOM 218 C LYS A 16 -1.051 0.224 -13.254 1.00 1.00 C ATOM 219 O LYS A 16 -1.335 1.210 -12.576 1.00 1.00 O ATOM 220 CB LYS A 16 1.451 -0.177 -13.634 1.00 1.00 C ATOM 221 CG LYS A 16 2.531 -0.295 -14.711 1.00 1.00 C ATOM 222 CD LYS A 16 3.929 -0.275 -14.091 1.00 1.00 C ATOM 223 CE LYS A 16 4.831 -1.329 -14.736 1.00 1.00 C ATOM 224 NZ LYS A 16 4.547 -2.668 -14.173 1.00 1.00 N ATOM 0 H LYS A 16 0.144 2.361 -14.101 1.00 1.00 H new ATOM 0 HA LYS A 16 -0.101 -0.447 -15.030 1.00 1.00 H new ATOM 0 HB2 LYS A 16 1.767 0.537 -12.874 1.00 1.00 H new ATOM 0 HB3 LYS A 16 1.324 -1.138 -13.135 1.00 1.00 H new ATOM 0 HG2 LYS A 16 2.391 -1.219 -15.271 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.433 0.526 -15.421 1.00 1.00 H new ATOM 0 HD2 LYS A 16 4.372 0.713 -14.216 1.00 1.00 H new ATOM 0 HD3 LYS A 16 3.858 -0.459 -13.019 1.00 1.00 H new ATOM 0 HE2 LYS A 16 4.673 -1.340 -15.814 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.877 -1.072 -14.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.168 -3.372 -14.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 4.720 -2.657 -13.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 3.554 -2.917 -14.354 1.00 1.00 H new ATOM 237 N THR A 17 -1.696 -0.932 -13.205 1.00 1.00 N ATOM 238 CA THR A 17 -2.829 -1.119 -12.314 1.00 1.00 C ATOM 239 C THR A 17 -2.613 -2.349 -11.430 1.00 1.00 C ATOM 240 O THR A 17 -2.625 -3.478 -11.917 1.00 1.00 O ATOM 241 CB THR A 17 -4.095 -1.200 -13.169 1.00 1.00 C ATOM 242 OG1 THR A 17 -4.307 0.141 -13.603 1.00 1.00 O ATOM 243 CG2 THR A 17 -5.340 -1.524 -12.341 1.00 1.00 C ATOM 0 H THR A 17 -1.456 -1.748 -13.767 1.00 1.00 H new ATOM 0 HA THR A 17 -2.937 -0.279 -11.628 1.00 1.00 H new ATOM 0 HB THR A 17 -3.964 -1.959 -13.941 1.00 1.00 H new ATOM 0 HG1 THR A 17 -5.108 0.180 -14.166 1.00 1.00 H new ATOM 0 HG21 THR A 17 -6.210 -1.570 -12.995 1.00 1.00 H new ATOM 0 HG22 THR A 17 -5.207 -2.486 -11.846 1.00 1.00 H new ATOM 0 HG23 THR A 17 -5.490 -0.747 -11.591 1.00 1.00 H new ATOM 251 N VAL A 18 -2.422 -2.089 -10.145 1.00 1.00 N ATOM 252 CA VAL A 18 -2.204 -3.160 -9.188 1.00 1.00 C ATOM 253 C VAL A 18 -3.424 -3.275 -8.271 1.00 1.00 C ATOM 254 O VAL A 18 -3.781 -2.318 -7.586 1.00 1.00 O ATOM 255 CB VAL A 18 -0.901 -2.922 -8.423 1.00 1.00 C ATOM 256 CG1 VAL A 18 -0.659 -4.028 -7.394 1.00 1.00 C ATOM 257 CG2 VAL A 18 0.284 -2.797 -9.383 1.00 1.00 C ATOM 0 H VAL A 18 -2.414 -1.151 -9.744 1.00 1.00 H new ATOM 0 HA VAL A 18 -2.093 -4.115 -9.702 1.00 1.00 H new ATOM 0 HB VAL A 18 -0.997 -1.979 -7.885 1.00 1.00 H new ATOM 0 HG11 VAL A 18 0.274 -3.834 -6.864 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -1.483 -4.049 -6.681 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -0.595 -4.990 -7.902 1.00 1.00 H new ATOM 0 HG21 VAL A 18 1.198 -2.628 -8.813 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.382 -3.715 -9.962 1.00 1.00 H new ATOM 0 HG23 VAL A 18 0.118 -1.958 -10.059 1.00 1.00 H new ATOM 267 N MET A 19 -4.028 -4.453 -8.288 1.00 1.00 N ATOM 268 CA MET A 19 -5.200 -4.705 -7.466 1.00 1.00 C ATOM 269 C MET A 19 -4.811 -4.885 -5.997 1.00 1.00 C ATOM 270 O MET A 19 -3.693 -5.297 -5.693 1.00 1.00 O ATOM 271 CB MET A 19 -5.911 -5.965 -7.963 1.00 1.00 C ATOM 272 CG MET A 19 -6.317 -5.823 -9.432 1.00 1.00 C ATOM 273 SD MET A 19 -8.091 -5.680 -9.563 1.00 1.00 S ATOM 274 CE MET A 19 -8.334 -6.344 -11.202 1.00 1.00 C ATOM 0 H MET A 19 -3.728 -5.244 -8.858 1.00 1.00 H new ATOM 0 HA MET A 19 -5.866 -3.846 -7.544 1.00 1.00 H new ATOM 0 HB2 MET A 19 -5.255 -6.827 -7.845 1.00 1.00 H new ATOM 0 HB3 MET A 19 -6.796 -6.152 -7.354 1.00 1.00 H new ATOM 0 HG2 MET A 19 -5.840 -4.945 -9.867 1.00 1.00 H new ATOM 0 HG3 MET A 19 -5.971 -6.687 -9.999 1.00 1.00 H new ATOM 0 HE1 MET A 19 -9.396 -6.329 -11.447 1.00 1.00 H new ATOM 0 HE2 MET A 19 -7.786 -5.739 -11.925 1.00 1.00 H new ATOM 0 HE3 MET A 19 -7.968 -7.370 -11.237 1.00 1.00 H new ATOM 284 N PHE A 20 -5.756 -4.566 -5.125 1.00 1.00 N ATOM 285 CA PHE A 20 -5.526 -4.686 -3.695 1.00 1.00 C ATOM 286 C PHE A 20 -6.781 -5.189 -2.979 1.00 1.00 C ATOM 287 O PHE A 20 -7.841 -4.566 -3.004 1.00 1.00 O ATOM 288 CB PHE A 20 -5.184 -3.288 -3.178 1.00 1.00 C ATOM 289 CG PHE A 20 -5.119 -3.187 -1.653 1.00 1.00 C ATOM 290 CD1 PHE A 20 -6.258 -2.992 -0.935 1.00 1.00 C ATOM 291 CD2 PHE A 20 -3.923 -3.293 -1.014 1.00 1.00 C ATOM 292 CE1 PHE A 20 -6.198 -2.899 0.481 1.00 1.00 C ATOM 293 CE2 PHE A 20 -3.862 -3.200 0.401 1.00 1.00 C ATOM 294 CZ PHE A 20 -5.001 -3.005 1.119 1.00 1.00 C ATOM 0 H PHE A 20 -6.682 -4.225 -5.381 1.00 1.00 H new ATOM 0 HA PHE A 20 -4.722 -5.397 -3.506 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -4.223 -2.983 -3.593 1.00 1.00 H new ATOM 0 HB3 PHE A 20 -5.929 -2.583 -3.547 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -7.208 -2.908 -1.442 1.00 1.00 H new ATOM 0 HD2 PHE A 20 -3.019 -3.448 -1.584 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -7.102 -2.744 1.051 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -2.912 -3.284 0.907 1.00 1.00 H new ATOM 0 HZ PHE A 20 -4.955 -2.934 2.196 1.00 1.00 H new ATOM 304 N PRO A 21 -6.636 -6.347 -2.331 1.00 1.00 N ATOM 305 CA PRO A 21 -7.689 -7.003 -1.586 1.00 1.00 C ATOM 306 C PRO A 21 -7.692 -6.496 -0.151 1.00 1.00 C ATOM 307 O PRO A 21 -6.641 -6.488 0.485 1.00 1.00 O ATOM 308 CB PRO A 21 -7.339 -8.489 -1.641 1.00 1.00 C ATOM 309 CG PRO A 21 -5.767 -8.396 -1.549 1.00 1.00 C ATOM 310 CD PRO A 21 -5.405 -7.105 -2.281 1.00 1.00 C ATOM 0 HA PRO A 21 -8.681 -6.809 -1.993 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -7.773 -9.052 -0.815 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -7.676 -8.964 -2.562 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.433 -8.369 -0.512 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.292 -9.260 -2.014 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -4.625 -6.557 -1.753 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -5.027 -7.311 -3.282 1.00 1.00 H new ATOM 318 N HIS A 22 -8.863 -6.082 0.333 1.00 1.00 N ATOM 319 CA HIS A 22 -9.022 -5.569 1.689 1.00 1.00 C ATOM 320 C HIS A 22 -9.158 -6.741 2.678 1.00 1.00 C ATOM 321 O HIS A 22 -8.712 -6.643 3.820 1.00 1.00 O ATOM 322 CB HIS A 22 -10.200 -4.583 1.713 1.00 1.00 C ATOM 323 CG HIS A 22 -9.856 -3.112 1.658 1.00 1.00 C ATOM 324 ND1 HIS A 22 -9.873 -2.411 0.521 1.00 1.00 N ATOM 325 CD2 HIS A 22 -9.483 -2.231 2.645 1.00 1.00 C ATOM 326 CE1 HIS A 22 -9.525 -1.142 0.788 1.00 1.00 C ATOM 327 NE2 HIS A 22 -9.274 -0.976 2.086 1.00 1.00 N ATOM 0 H HIS A 22 -9.728 -6.094 -0.207 1.00 1.00 H new ATOM 0 HA HIS A 22 -8.141 -5.013 2.010 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -10.852 -4.812 0.870 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -10.777 -4.764 2.620 1.00 1.00 H new ATOM 0 HD1 HIS A 22 -10.111 -2.780 -0.400 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -9.370 -2.476 3.691 1.00 1.00 H new ATOM 0 HE1 HIS A 22 -9.457 -0.359 0.048 1.00 1.00 H new ATOM 335 N ALA A 23 -9.771 -7.815 2.202 1.00 1.00 N ATOM 336 CA ALA A 23 -9.966 -8.994 3.029 1.00 1.00 C ATOM 337 C ALA A 23 -8.652 -9.341 3.731 1.00 1.00 C ATOM 338 O ALA A 23 -8.483 -9.147 4.933 1.00 1.00 O ATOM 339 CB ALA A 23 -10.486 -10.144 2.164 1.00 1.00 C ATOM 0 H ALA A 23 -10.139 -7.893 1.254 1.00 1.00 H new ATOM 0 HA ALA A 23 -10.712 -8.803 3.800 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -10.632 -11.028 2.784 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -11.435 -9.858 1.710 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -9.762 -10.366 1.380 1.00 1.00 H new ATOM 345 N PRO A 24 -7.712 -9.866 2.942 1.00 1.00 N ATOM 346 CA PRO A 24 -6.396 -10.266 3.395 1.00 1.00 C ATOM 347 C PRO A 24 -5.933 -9.333 4.504 1.00 1.00 C ATOM 348 O PRO A 24 -5.325 -9.798 5.465 1.00 1.00 O ATOM 349 CB PRO A 24 -5.503 -10.138 2.163 1.00 1.00 C ATOM 350 CG PRO A 24 -6.470 -10.411 1.011 1.00 1.00 C ATOM 351 CD PRO A 24 -7.876 -10.108 1.525 1.00 1.00 C ATOM 0 HA PRO A 24 -6.376 -11.277 3.801 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -5.056 -9.147 2.089 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -4.683 -10.856 2.182 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.231 -9.786 0.151 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -6.395 -11.448 0.682 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -8.301 -9.239 1.023 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -8.552 -10.944 1.343 1.00 1.00 H new ATOM 359 N HIS A 25 -6.223 -8.039 4.357 1.00 1.00 N ATOM 360 CA HIS A 25 -5.843 -7.027 5.336 1.00 1.00 C ATOM 361 C HIS A 25 -7.028 -6.742 6.277 1.00 1.00 C ATOM 362 O HIS A 25 -7.396 -5.585 6.476 1.00 1.00 O ATOM 363 CB HIS A 25 -5.316 -5.790 4.592 1.00 1.00 C ATOM 364 CG HIS A 25 -4.168 -6.011 3.634 1.00 1.00 C ATOM 365 ND1 HIS A 25 -4.354 -6.273 2.337 1.00 1.00 N ATOM 366 CD2 HIS A 25 -2.808 -6.001 3.832 1.00 1.00 C ATOM 367 CE1 HIS A 25 -3.156 -6.420 1.749 1.00 1.00 C ATOM 368 NE2 HIS A 25 -2.167 -6.261 2.626 1.00 1.00 N ATOM 0 H HIS A 25 -6.729 -7.666 3.554 1.00 1.00 H new ATOM 0 HA HIS A 25 -5.034 -7.376 5.977 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -6.143 -5.350 4.036 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -5.003 -5.055 5.333 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -5.258 -6.349 1.870 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -2.315 -5.820 4.776 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -3.013 -6.639 0.701 1.00 1.00 H new ATOM 376 N GLU A 26 -7.584 -7.812 6.827 1.00 1.00 N ATOM 377 CA GLU A 26 -8.710 -7.685 7.736 1.00 1.00 C ATOM 378 C GLU A 26 -8.216 -7.551 9.178 1.00 1.00 C ATOM 379 O GLU A 26 -8.876 -6.929 10.009 1.00 1.00 O ATOM 380 CB GLU A 26 -9.667 -8.871 7.593 1.00 1.00 C ATOM 381 CG GLU A 26 -11.047 -8.408 7.121 1.00 1.00 C ATOM 382 CD GLU A 26 -11.846 -9.574 6.536 1.00 1.00 C ATOM 383 OE1 GLU A 26 -12.154 -10.537 7.255 1.00 1.00 O ATOM 384 OE2 GLU A 26 -12.149 -9.456 5.288 1.00 1.00 O ATOM 0 H GLU A 26 -7.276 -8.770 6.661 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.261 -6.781 7.476 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -9.258 -9.589 6.883 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.760 -9.386 8.549 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.593 -7.971 7.957 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -10.935 -7.626 6.370 1.00 1.00 H new ATOM 392 N LYS A 27 -7.058 -8.145 9.431 1.00 1.00 N ATOM 393 CA LYS A 27 -6.468 -8.100 10.757 1.00 1.00 C ATOM 394 C LYS A 27 -5.751 -6.761 10.947 1.00 1.00 C ATOM 395 O LYS A 27 -5.777 -6.188 12.035 1.00 1.00 O ATOM 396 CB LYS A 27 -5.569 -9.316 10.986 1.00 1.00 C ATOM 397 CG LYS A 27 -6.383 -10.612 10.961 1.00 1.00 C ATOM 398 CD LYS A 27 -5.470 -11.830 10.802 1.00 1.00 C ATOM 399 CE LYS A 27 -6.289 -13.104 10.585 1.00 1.00 C ATOM 400 NZ LYS A 27 -6.342 -13.905 11.828 1.00 1.00 N ATOM 0 H LYS A 27 -6.513 -8.660 8.739 1.00 1.00 H new ATOM 0 HA LYS A 27 -7.244 -8.158 11.520 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -4.797 -9.352 10.217 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -5.059 -9.221 11.945 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -6.958 -10.702 11.882 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -7.099 -10.580 10.140 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -4.798 -11.677 9.958 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.847 -11.941 11.690 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -7.300 -12.844 10.270 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -5.847 -13.695 9.783 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -6.902 -14.766 11.663 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -5.377 -14.169 12.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.785 -13.344 12.584 1.00 1.00 H new ATOM 413 N VAL A 28 -5.128 -6.303 9.871 1.00 1.00 N ATOM 414 CA VAL A 28 -4.406 -5.043 9.905 1.00 1.00 C ATOM 415 C VAL A 28 -5.342 -3.936 10.394 1.00 1.00 C ATOM 416 O VAL A 28 -6.436 -3.762 9.859 1.00 1.00 O ATOM 417 CB VAL A 28 -3.800 -4.749 8.531 1.00 1.00 C ATOM 418 CG1 VAL A 28 -2.967 -3.466 8.561 1.00 1.00 C ATOM 419 CG2 VAL A 28 -2.967 -5.933 8.035 1.00 1.00 C ATOM 0 H VAL A 28 -5.108 -6.782 8.971 1.00 1.00 H new ATOM 0 HA VAL A 28 -3.574 -5.099 10.607 1.00 1.00 H new ATOM 0 HB VAL A 28 -4.620 -4.598 7.829 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -2.548 -3.281 7.572 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -3.601 -2.627 8.849 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -2.158 -3.574 9.283 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -2.548 -5.698 7.057 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -2.158 -6.129 8.739 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -3.601 -6.816 7.956 1.00 1.00 H new ATOM 429 N GLU A 29 -4.878 -3.216 11.405 1.00 1.00 N ATOM 430 CA GLU A 29 -5.661 -2.131 11.972 1.00 1.00 C ATOM 431 C GLU A 29 -6.243 -1.258 10.859 1.00 1.00 C ATOM 432 O GLU A 29 -5.918 -1.442 9.687 1.00 1.00 O ATOM 433 CB GLU A 29 -4.820 -1.296 12.940 1.00 1.00 C ATOM 434 CG GLU A 29 -4.249 -2.167 14.061 1.00 1.00 C ATOM 435 CD GLU A 29 -2.731 -2.006 14.162 1.00 1.00 C ATOM 436 OE1 GLU A 29 -2.248 -1.071 14.818 1.00 1.00 O ATOM 437 OE2 GLU A 29 -2.045 -2.896 13.528 1.00 1.00 O ATOM 0 H GLU A 29 -3.970 -3.363 11.846 1.00 1.00 H new ATOM 0 HA GLU A 29 -6.487 -2.562 12.538 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -4.006 -0.814 12.398 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -5.432 -0.502 13.367 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.711 -1.894 15.010 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -4.496 -3.212 13.876 1.00 1.00 H new ATOM 445 N CYS A 30 -7.094 -0.327 11.264 1.00 1.00 N ATOM 446 CA CYS A 30 -7.724 0.575 10.316 1.00 1.00 C ATOM 447 C CYS A 30 -6.996 1.919 10.373 1.00 1.00 C ATOM 448 O CYS A 30 -7.340 2.848 9.644 1.00 1.00 O ATOM 449 CB CYS A 30 -9.222 0.726 10.588 1.00 1.00 C ATOM 450 SG CYS A 30 -10.236 1.110 9.113 1.00 1.00 S ATOM 0 H CYS A 30 -7.362 -0.178 12.237 1.00 1.00 H new ATOM 0 HA CYS A 30 -7.644 0.162 9.310 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -9.591 -0.198 11.034 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -9.365 1.516 11.325 1.00 1.00 H new ATOM 455 N VAL A 31 -6.002 1.980 11.247 1.00 1.00 N ATOM 456 CA VAL A 31 -5.221 3.195 11.410 1.00 1.00 C ATOM 457 C VAL A 31 -3.775 2.927 10.990 1.00 1.00 C ATOM 458 O VAL A 31 -2.947 3.836 10.989 1.00 1.00 O ATOM 459 CB VAL A 31 -5.342 3.706 12.847 1.00 1.00 C ATOM 460 CG1 VAL A 31 -4.243 3.116 13.733 1.00 1.00 C ATOM 461 CG2 VAL A 31 -5.318 5.235 12.889 1.00 1.00 C ATOM 0 H VAL A 31 -5.719 1.207 11.850 1.00 1.00 H new ATOM 0 HA VAL A 31 -5.605 3.985 10.765 1.00 1.00 H new ATOM 0 HB VAL A 31 -6.303 3.375 13.240 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -4.352 3.495 14.749 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -4.326 2.029 13.741 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -3.267 3.403 13.341 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -5.406 5.572 13.922 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -4.380 5.596 12.468 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -6.152 5.628 12.307 1.00 1.00 H new ATOM 471 N THR A 32 -3.515 1.675 10.643 1.00 1.00 N ATOM 472 CA THR A 32 -2.183 1.276 10.222 1.00 1.00 C ATOM 473 C THR A 32 -1.926 1.716 8.779 1.00 1.00 C ATOM 474 O THR A 32 -0.823 2.148 8.445 1.00 1.00 O ATOM 475 CB THR A 32 -2.054 -0.234 10.429 1.00 1.00 C ATOM 476 OG1 THR A 32 -1.815 -0.374 11.827 1.00 1.00 O ATOM 477 CG2 THR A 32 -0.796 -0.809 9.776 1.00 1.00 C ATOM 0 H THR A 32 -4.205 0.923 10.645 1.00 1.00 H new ATOM 0 HA THR A 32 -1.415 1.767 10.820 1.00 1.00 H new ATOM 0 HB THR A 32 -2.934 -0.732 10.022 1.00 1.00 H new ATOM 0 HG1 THR A 32 -1.340 -1.214 11.995 1.00 1.00 H new ATOM 0 HG21 THR A 32 -0.753 -1.884 9.953 1.00 1.00 H new ATOM 0 HG22 THR A 32 -0.824 -0.619 8.703 1.00 1.00 H new ATOM 0 HG23 THR A 32 0.086 -0.335 10.206 1.00 1.00 H new ATOM 485 N CYS A 33 -2.962 1.591 7.962 1.00 1.00 N ATOM 486 CA CYS A 33 -2.862 1.970 6.563 1.00 1.00 C ATOM 487 C CYS A 33 -3.419 3.386 6.408 1.00 1.00 C ATOM 488 O CYS A 33 -2.714 4.298 5.983 1.00 1.00 O ATOM 489 CB CYS A 33 -3.580 0.971 5.654 1.00 1.00 C ATOM 490 SG CYS A 33 -2.506 -0.478 5.343 1.00 1.00 S ATOM 0 H CYS A 33 -3.875 1.232 8.242 1.00 1.00 H new ATOM 0 HA CYS A 33 -1.817 1.956 6.253 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -4.512 0.650 6.118 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -3.842 1.449 4.710 1.00 1.00 H new ATOM 495 N HIS A 34 -4.696 3.531 6.765 1.00 1.00 N ATOM 496 CA HIS A 34 -5.400 4.806 6.686 1.00 1.00 C ATOM 497 C HIS A 34 -5.006 5.692 7.883 1.00 1.00 C ATOM 498 O HIS A 34 -5.785 5.858 8.819 1.00 1.00 O ATOM 499 CB HIS A 34 -6.907 4.536 6.569 1.00 1.00 C ATOM 500 CG HIS A 34 -7.372 3.809 5.328 1.00 1.00 C ATOM 501 ND1 HIS A 34 -7.483 4.411 4.141 1.00 1.00 N ATOM 502 CD2 HIS A 34 -7.753 2.503 5.132 1.00 1.00 C ATOM 503 CE1 HIS A 34 -7.916 3.516 3.239 1.00 1.00 C ATOM 504 NE2 HIS A 34 -8.099 2.321 3.799 1.00 1.00 N ATOM 0 H HIS A 34 -5.270 2.765 7.117 1.00 1.00 H new ATOM 0 HA HIS A 34 -5.113 5.366 5.796 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -7.218 3.957 7.439 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -7.429 5.492 6.619 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -7.273 5.391 3.951 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -7.779 1.739 5.894 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -8.093 3.736 2.196 1.00 1.00 H new ATOM 512 N HIS A 35 -3.793 6.241 7.812 1.00 1.00 N ATOM 513 CA HIS A 35 -3.255 7.109 8.854 1.00 1.00 C ATOM 514 C HIS A 35 -4.128 8.370 8.983 1.00 1.00 C ATOM 515 O HIS A 35 -4.677 8.846 7.991 1.00 1.00 O ATOM 516 CB HIS A 35 -1.776 7.392 8.549 1.00 1.00 C ATOM 517 CG HIS A 35 -1.484 8.247 7.338 1.00 1.00 C ATOM 518 ND1 HIS A 35 -1.719 9.563 7.312 1.00 1.00 N ATOM 519 CD2 HIS A 35 -0.965 7.927 6.106 1.00 1.00 C ATOM 520 CE1 HIS A 35 -1.361 10.044 6.111 1.00 1.00 C ATOM 521 NE2 HIS A 35 -0.889 9.076 5.327 1.00 1.00 N ATOM 0 H HIS A 35 -3.157 6.095 7.028 1.00 1.00 H new ATOM 0 HA HIS A 35 -3.286 6.627 9.831 1.00 1.00 H new ATOM 0 HB2 HIS A 35 -1.335 7.875 9.421 1.00 1.00 H new ATOM 0 HB3 HIS A 35 -1.266 6.437 8.422 1.00 1.00 H new ATOM 0 HD1 HIS A 35 -2.107 10.112 8.079 1.00 1.00 H new ATOM 0 HD2 HIS A 35 -0.664 6.938 5.792 1.00 1.00 H new ATOM 0 HE1 HIS A 35 -1.445 11.080 5.819 1.00 1.00 H new ATOM 529 N LEU A 36 -4.225 8.869 10.207 1.00 1.00 N ATOM 530 CA LEU A 36 -5.017 10.058 10.469 1.00 1.00 C ATOM 531 C LEU A 36 -4.325 11.274 9.850 1.00 1.00 C ATOM 532 O LEU A 36 -3.103 11.290 9.704 1.00 1.00 O ATOM 533 CB LEU A 36 -5.287 10.202 11.969 1.00 1.00 C ATOM 534 CG LEU A 36 -6.137 9.101 12.606 1.00 1.00 C ATOM 535 CD1 LEU A 36 -6.001 9.115 14.129 1.00 1.00 C ATOM 536 CD2 LEU A 36 -7.597 9.208 12.160 1.00 1.00 C ATOM 0 H LEU A 36 -3.768 8.471 11.028 1.00 1.00 H new ATOM 0 HA LEU A 36 -5.996 9.974 9.998 1.00 1.00 H new ATOM 0 HB2 LEU A 36 -4.329 10.241 12.488 1.00 1.00 H new ATOM 0 HB3 LEU A 36 -5.781 11.159 12.139 1.00 1.00 H new ATOM 0 HG LEU A 36 -5.764 8.138 12.258 1.00 1.00 H new ATOM 0 HD11 LEU A 36 -6.615 8.323 14.556 1.00 1.00 H new ATOM 0 HD12 LEU A 36 -4.958 8.953 14.403 1.00 1.00 H new ATOM 0 HD13 LEU A 36 -6.332 10.079 14.515 1.00 1.00 H new ATOM 0 HD21 LEU A 36 -8.179 8.414 12.627 1.00 1.00 H new ATOM 0 HD22 LEU A 36 -7.999 10.176 12.459 1.00 1.00 H new ATOM 0 HD23 LEU A 36 -7.654 9.110 11.076 1.00 1.00 H new ATOM 548 N VAL A 37 -5.135 12.263 9.502 1.00 1.00 N ATOM 549 CA VAL A 37 -4.616 13.480 8.902 1.00 1.00 C ATOM 550 C VAL A 37 -4.920 14.666 9.819 1.00 1.00 C ATOM 551 O VAL A 37 -6.070 14.883 10.198 1.00 1.00 O ATOM 552 CB VAL A 37 -5.185 13.653 7.493 1.00 1.00 C ATOM 553 CG1 VAL A 37 -5.345 15.134 7.144 1.00 1.00 C ATOM 554 CG2 VAL A 37 -4.314 12.936 6.458 1.00 1.00 C ATOM 0 H VAL A 37 -6.148 12.246 9.624 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.533 13.421 8.796 1.00 1.00 H new ATOM 0 HB VAL A 37 -6.174 13.196 7.473 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -5.751 15.229 6.137 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -6.024 15.604 7.855 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -4.373 15.626 7.191 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -4.741 13.075 5.465 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -3.306 13.350 6.481 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.274 11.872 6.690 1.00 1.00 H new ATOM 564 N ASP A 38 -3.869 15.403 10.150 1.00 1.00 N ATOM 565 CA ASP A 38 -4.010 16.561 11.016 1.00 1.00 C ATOM 566 C ASP A 38 -4.769 16.157 12.281 1.00 1.00 C ATOM 567 O ASP A 38 -5.556 16.939 12.814 1.00 1.00 O ATOM 568 CB ASP A 38 -4.802 17.673 10.324 1.00 1.00 C ATOM 569 CG ASP A 38 -4.374 19.095 10.690 1.00 1.00 C ATOM 570 OD1 ASP A 38 -4.707 19.604 11.771 1.00 1.00 O ATOM 571 OD2 ASP A 38 -3.659 19.696 9.800 1.00 1.00 O ATOM 0 H ASP A 38 -2.917 15.220 9.834 1.00 1.00 H new ATOM 0 HA ASP A 38 -3.011 16.926 11.257 1.00 1.00 H new ATOM 0 HB2 ASP A 38 -4.708 17.548 9.245 1.00 1.00 H new ATOM 0 HB3 ASP A 38 -5.857 17.553 10.569 1.00 1.00 H new ATOM 577 N GLY A 39 -4.507 14.937 12.726 1.00 1.00 N ATOM 578 CA GLY A 39 -5.156 14.420 13.919 1.00 1.00 C ATOM 579 C GLY A 39 -6.668 14.306 13.715 1.00 1.00 C ATOM 580 O GLY A 39 -7.442 14.527 14.646 1.00 1.00 O ATOM 0 H GLY A 39 -3.854 14.291 12.282 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -4.744 13.442 14.166 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -4.948 15.076 14.764 1.00 1.00 H new ATOM 584 N LYS A 40 -7.044 13.961 12.493 1.00 1.00 N ATOM 585 CA LYS A 40 -8.449 13.815 12.155 1.00 1.00 C ATOM 586 C LYS A 40 -8.665 12.468 11.462 1.00 1.00 C ATOM 587 O LYS A 40 -7.714 11.723 11.236 1.00 1.00 O ATOM 588 CB LYS A 40 -8.930 15.013 11.333 1.00 1.00 C ATOM 589 CG LYS A 40 -8.862 14.713 9.834 1.00 1.00 C ATOM 590 CD LYS A 40 -8.636 15.994 9.029 1.00 1.00 C ATOM 591 CE LYS A 40 -9.945 16.765 8.847 1.00 1.00 C ATOM 592 NZ LYS A 40 -9.827 17.731 7.732 1.00 1.00 N ATOM 0 H LYS A 40 -6.399 13.778 11.724 1.00 1.00 H new ATOM 0 HA LYS A 40 -9.059 13.811 13.058 1.00 1.00 H new ATOM 0 HB2 LYS A 40 -9.954 15.262 11.611 1.00 1.00 H new ATOM 0 HB3 LYS A 40 -8.317 15.885 11.561 1.00 1.00 H new ATOM 0 HG2 LYS A 40 -8.055 14.008 9.637 1.00 1.00 H new ATOM 0 HG3 LYS A 40 -9.788 14.236 9.513 1.00 1.00 H new ATOM 0 HD2 LYS A 40 -7.907 16.624 9.538 1.00 1.00 H new ATOM 0 HD3 LYS A 40 -8.217 15.746 8.054 1.00 1.00 H new ATOM 0 HE2 LYS A 40 -10.759 16.068 8.648 1.00 1.00 H new ATOM 0 HE3 LYS A 40 -10.194 17.292 9.768 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 -10.724 18.246 7.622 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 -9.063 18.406 7.937 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 -9.611 17.221 6.852 1.00 1.00 H new ATOM 605 N GLU A 41 -9.923 12.196 11.146 1.00 1.00 N ATOM 606 CA GLU A 41 -10.276 10.952 10.484 1.00 1.00 C ATOM 607 C GLU A 41 -10.510 11.193 8.991 1.00 1.00 C ATOM 608 O GLU A 41 -11.141 12.177 8.609 1.00 1.00 O ATOM 609 CB GLU A 41 -11.505 10.314 11.136 1.00 1.00 C ATOM 610 CG GLU A 41 -11.861 8.991 10.455 1.00 1.00 C ATOM 611 CD GLU A 41 -13.378 8.797 10.394 1.00 1.00 C ATOM 612 OE1 GLU A 41 -14.084 9.128 11.358 1.00 1.00 O ATOM 613 OE2 GLU A 41 -13.817 8.281 9.296 1.00 1.00 O ATOM 0 H GLU A 41 -10.710 12.816 11.336 1.00 1.00 H new ATOM 0 HA GLU A 41 -9.445 10.256 10.594 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -11.311 10.142 12.195 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -12.351 10.999 11.074 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -11.448 8.974 9.447 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -11.406 8.163 11.000 1.00 1.00 H new ATOM 621 N SER A 42 -9.989 10.277 8.188 1.00 1.00 N ATOM 622 CA SER A 42 -10.133 10.377 6.746 1.00 1.00 C ATOM 623 C SER A 42 -10.058 8.985 6.115 1.00 1.00 C ATOM 624 O SER A 42 -9.627 8.012 6.728 1.00 1.00 O ATOM 625 CB SER A 42 -9.061 11.290 6.147 1.00 1.00 C ATOM 626 OG SER A 42 -9.616 12.248 5.251 1.00 1.00 O ATOM 0 H SER A 42 -9.466 9.462 8.509 1.00 1.00 H new ATOM 0 HA SER A 42 -11.107 10.815 6.529 1.00 1.00 H new ATOM 0 HB2 SER A 42 -8.535 11.807 6.950 1.00 1.00 H new ATOM 0 HB3 SER A 42 -8.323 10.685 5.620 1.00 1.00 H new ATOM 0 HG SER A 42 -8.900 12.813 4.891 1.00 1.00 H new ATOM 632 N TYR A 43 -10.495 8.913 4.855 1.00 1.00 N ATOM 633 CA TYR A 43 -10.491 7.666 4.117 1.00 1.00 C ATOM 634 C TYR A 43 -10.480 7.951 2.622 1.00 1.00 C ATOM 635 O TYR A 43 -11.037 7.161 1.862 1.00 1.00 O ATOM 636 CB TYR A 43 -11.719 6.846 4.502 1.00 1.00 C ATOM 637 CG TYR A 43 -11.621 6.221 5.873 1.00 1.00 C ATOM 638 CD1 TYR A 43 -11.908 6.983 7.012 1.00 1.00 C ATOM 639 CD2 TYR A 43 -11.243 4.879 6.005 1.00 1.00 C ATOM 640 CE1 TYR A 43 -11.817 6.404 8.283 1.00 1.00 C ATOM 641 CE2 TYR A 43 -11.153 4.300 7.277 1.00 1.00 C ATOM 642 CZ TYR A 43 -11.440 5.062 8.415 1.00 1.00 C ATOM 643 OH TYR A 43 -11.352 4.497 9.654 1.00 1.00 O ATOM 0 H TYR A 43 -10.855 9.711 4.331 1.00 1.00 H new ATOM 0 HA TYR A 43 -9.596 7.095 4.364 1.00 1.00 H new ATOM 0 HB2 TYR A 43 -12.600 7.487 4.466 1.00 1.00 H new ATOM 0 HB3 TYR A 43 -11.867 6.059 3.762 1.00 1.00 H new ATOM 0 HD1 TYR A 43 -12.200 8.018 6.910 1.00 1.00 H new ATOM 0 HD2 TYR A 43 -11.021 4.291 5.127 1.00 1.00 H new ATOM 0 HE1 TYR A 43 -12.037 6.992 9.162 1.00 1.00 H new ATOM 0 HE2 TYR A 43 -10.862 3.265 7.380 1.00 1.00 H new ATOM 0 HH TYR A 43 -11.064 3.564 9.568 1.00 1.00 H new ATOM 653 N ALA A 44 -9.858 9.054 2.233 1.00 1.00 N ATOM 654 CA ALA A 44 -9.789 9.419 0.828 1.00 1.00 C ATOM 655 C ALA A 44 -8.756 8.535 0.126 1.00 1.00 C ATOM 656 O ALA A 44 -8.130 7.685 0.757 1.00 1.00 O ATOM 657 CB ALA A 44 -9.463 10.908 0.702 1.00 1.00 C ATOM 0 H ALA A 44 -9.397 9.707 2.866 1.00 1.00 H new ATOM 0 HA ALA A 44 -10.750 9.254 0.341 1.00 1.00 H new ATOM 0 HB1 ALA A 44 -9.411 11.181 -0.352 1.00 1.00 H new ATOM 0 HB2 ALA A 44 -10.242 11.494 1.191 1.00 1.00 H new ATOM 0 HB3 ALA A 44 -8.503 11.112 1.177 1.00 1.00 H new ATOM 663 N LYS A 45 -8.609 8.766 -1.170 1.00 1.00 N ATOM 664 CA LYS A 45 -7.663 8.002 -1.964 1.00 1.00 C ATOM 665 C LYS A 45 -6.241 8.303 -1.486 1.00 1.00 C ATOM 666 O LYS A 45 -5.908 9.453 -1.203 1.00 1.00 O ATOM 667 CB LYS A 45 -7.878 8.265 -3.456 1.00 1.00 C ATOM 668 CG LYS A 45 -8.661 7.123 -4.107 1.00 1.00 C ATOM 669 CD LYS A 45 -8.684 7.272 -5.629 1.00 1.00 C ATOM 670 CE LYS A 45 -9.892 6.554 -6.233 1.00 1.00 C ATOM 671 NZ LYS A 45 -9.475 5.704 -7.370 1.00 1.00 N ATOM 0 H LYS A 45 -9.130 9.472 -1.690 1.00 1.00 H new ATOM 0 HA LYS A 45 -7.827 6.933 -1.826 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -8.417 9.203 -3.590 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -6.914 8.378 -3.952 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.209 6.168 -3.838 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -9.681 7.112 -3.724 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -8.715 8.329 -5.894 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -7.766 6.864 -6.052 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -10.376 5.942 -5.472 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -10.627 7.286 -6.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -10.307 5.224 -7.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -9.033 6.296 -8.102 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -8.791 4.994 -7.040 1.00 1.00 H new ATOM 684 N CYS A 46 -5.441 7.250 -1.410 1.00 1.00 N ATOM 685 CA CYS A 46 -4.062 7.388 -0.970 1.00 1.00 C ATOM 686 C CYS A 46 -3.394 8.472 -1.818 1.00 1.00 C ATOM 687 O CYS A 46 -2.523 9.194 -1.335 1.00 1.00 O ATOM 688 CB CYS A 46 -3.309 6.059 -1.046 1.00 1.00 C ATOM 689 SG CYS A 46 -3.971 4.738 0.034 1.00 1.00 S ATOM 0 H CYS A 46 -5.721 6.298 -1.645 1.00 1.00 H new ATOM 0 HA CYS A 46 -4.040 7.683 0.079 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -3.325 5.707 -2.078 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.265 6.234 -0.785 1.00 1.00 H new ATOM 694 N GLY A 47 -3.828 8.553 -3.068 1.00 1.00 N ATOM 695 CA GLY A 47 -3.282 9.537 -3.987 1.00 1.00 C ATOM 696 C GLY A 47 -4.327 10.599 -4.337 1.00 1.00 C ATOM 697 O GLY A 47 -4.648 10.796 -5.507 1.00 1.00 O ATOM 0 H GLY A 47 -4.551 7.953 -3.465 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -2.410 10.013 -3.539 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -2.943 9.042 -4.897 1.00 1.00 H new ATOM 701 N SER A 48 -4.827 11.254 -3.300 1.00 1.00 N ATOM 702 CA SER A 48 -5.829 12.291 -3.483 1.00 1.00 C ATOM 703 C SER A 48 -5.154 13.661 -3.566 1.00 1.00 C ATOM 704 O SER A 48 -4.161 13.911 -2.884 1.00 1.00 O ATOM 705 CB SER A 48 -6.854 12.272 -2.348 1.00 1.00 C ATOM 706 OG SER A 48 -7.443 10.985 -2.181 1.00 1.00 O ATOM 0 H SER A 48 -4.557 11.087 -2.330 1.00 1.00 H new ATOM 0 HA SER A 48 -6.357 12.096 -4.416 1.00 1.00 H new ATOM 0 HB2 SER A 48 -6.371 12.573 -1.418 1.00 1.00 H new ATOM 0 HB3 SER A 48 -7.635 13.004 -2.553 1.00 1.00 H new ATOM 0 HG SER A 48 -6.986 10.508 -1.457 1.00 1.00 H new ATOM 712 N SER A 49 -5.720 14.514 -4.407 1.00 1.00 N ATOM 713 CA SER A 49 -5.186 15.853 -4.589 1.00 1.00 C ATOM 714 C SER A 49 -4.691 16.404 -3.250 1.00 1.00 C ATOM 715 O SER A 49 -5.448 16.468 -2.283 1.00 1.00 O ATOM 716 CB SER A 49 -6.235 16.788 -5.192 1.00 1.00 C ATOM 717 OG SER A 49 -6.404 16.570 -6.590 1.00 1.00 O ATOM 0 H SER A 49 -6.544 14.304 -4.970 1.00 1.00 H new ATOM 0 HA SER A 49 -4.348 15.796 -5.284 1.00 1.00 H new ATOM 0 HB2 SER A 49 -7.188 16.639 -4.684 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.940 17.823 -5.020 1.00 1.00 H new ATOM 0 HG SER A 49 -7.083 17.185 -6.937 1.00 1.00 H new ATOM 723 N GLY A 50 -3.423 16.789 -3.237 1.00 1.00 N ATOM 724 CA GLY A 50 -2.818 17.333 -2.033 1.00 1.00 C ATOM 725 C GLY A 50 -1.995 16.269 -1.304 1.00 1.00 C ATOM 726 O GLY A 50 -0.986 16.583 -0.674 1.00 1.00 O ATOM 0 H GLY A 50 -2.798 16.735 -4.041 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -2.179 18.177 -2.292 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -3.596 17.713 -1.371 1.00 1.00 H new ATOM 730 N CYS A 51 -2.455 15.032 -1.414 1.00 1.00 N ATOM 731 CA CYS A 51 -1.774 13.920 -0.774 1.00 1.00 C ATOM 732 C CYS A 51 -0.797 13.310 -1.781 1.00 1.00 C ATOM 733 O CYS A 51 -0.212 14.017 -2.599 1.00 1.00 O ATOM 734 CB CYS A 51 -2.763 12.882 -0.239 1.00 1.00 C ATOM 735 SG CYS A 51 -4.209 13.722 0.506 1.00 1.00 S ATOM 0 H CYS A 51 -3.292 14.775 -1.937 1.00 1.00 H new ATOM 0 HA CYS A 51 -1.222 14.281 0.094 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -3.089 12.227 -1.047 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -2.275 12.252 0.505 1.00 1.00 H new ATOM 740 N HIS A 52 -0.646 11.988 -1.691 1.00 1.00 N ATOM 741 CA HIS A 52 0.242 11.232 -2.566 1.00 1.00 C ATOM 742 C HIS A 52 -0.260 11.319 -4.019 1.00 1.00 C ATOM 743 O HIS A 52 -0.587 10.298 -4.622 1.00 1.00 O ATOM 744 CB HIS A 52 0.370 9.799 -2.027 1.00 1.00 C ATOM 745 CG HIS A 52 0.623 9.651 -0.544 1.00 1.00 C ATOM 746 ND1 HIS A 52 1.854 9.618 -0.024 1.00 1.00 N ATOM 747 CD2 HIS A 52 -0.243 9.529 0.516 1.00 1.00 C ATOM 748 CE1 HIS A 52 1.758 9.480 1.308 1.00 1.00 C ATOM 749 NE2 HIS A 52 0.485 9.420 1.694 1.00 1.00 N ATOM 0 H HIS A 52 -1.138 11.413 -1.007 1.00 1.00 H new ATOM 0 HA HIS A 52 1.247 11.654 -2.575 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -0.546 9.261 -2.271 1.00 1.00 H new ATOM 0 HB3 HIS A 52 1.182 9.306 -2.561 1.00 1.00 H new ATOM 0 HD1 HIS A 52 2.724 9.686 -0.553 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -1.321 9.519 0.444 1.00 1.00 H new ATOM 0 HE1 HIS A 52 2.603 9.425 1.979 1.00 1.00 H new ATOM 757 N ASP A 53 -0.303 12.540 -4.532 1.00 1.00 N ATOM 758 CA ASP A 53 -0.756 12.764 -5.894 1.00 1.00 C ATOM 759 C ASP A 53 0.338 12.326 -6.870 1.00 1.00 C ATOM 760 O ASP A 53 0.066 11.603 -7.828 1.00 1.00 O ATOM 761 CB ASP A 53 -1.044 14.246 -6.141 1.00 1.00 C ATOM 762 CG ASP A 53 -0.118 15.217 -5.405 1.00 1.00 C ATOM 763 OD1 ASP A 53 1.074 15.330 -5.727 1.00 1.00 O ATOM 764 OD2 ASP A 53 -0.674 15.883 -4.451 1.00 1.00 O ATOM 0 H ASP A 53 -0.031 13.385 -4.029 1.00 1.00 H new ATOM 0 HA ASP A 53 -1.669 12.189 -6.045 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -0.973 14.441 -7.211 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -2.072 14.455 -5.846 1.00 1.00 H new ATOM 770 N ASP A 54 1.551 12.781 -6.593 1.00 1.00 N ATOM 771 CA ASP A 54 2.686 12.444 -7.434 1.00 1.00 C ATOM 772 C ASP A 54 2.826 10.922 -7.511 1.00 1.00 C ATOM 773 O ASP A 54 3.016 10.261 -6.492 1.00 1.00 O ATOM 774 CB ASP A 54 3.986 13.009 -6.857 1.00 1.00 C ATOM 775 CG ASP A 54 5.215 12.848 -7.754 1.00 1.00 C ATOM 776 OD1 ASP A 54 5.310 11.896 -8.542 1.00 1.00 O ATOM 777 OD2 ASP A 54 6.113 13.765 -7.618 1.00 1.00 O ATOM 0 H ASP A 54 1.772 13.380 -5.798 1.00 1.00 H new ATOM 0 HA ASP A 54 2.512 12.873 -8.421 1.00 1.00 H new ATOM 0 HB2 ASP A 54 3.843 14.069 -6.649 1.00 1.00 H new ATOM 0 HB3 ASP A 54 4.185 12.521 -5.903 1.00 1.00 H new ATOM 783 N LEU A 55 2.725 10.412 -8.729 1.00 1.00 N ATOM 784 CA LEU A 55 2.838 8.980 -8.952 1.00 1.00 C ATOM 785 C LEU A 55 4.115 8.691 -9.744 1.00 1.00 C ATOM 786 O LEU A 55 4.424 7.535 -10.030 1.00 1.00 O ATOM 787 CB LEU A 55 1.568 8.440 -9.613 1.00 1.00 C ATOM 788 CG LEU A 55 0.312 9.298 -9.455 1.00 1.00 C ATOM 789 CD1 LEU A 55 -0.666 9.057 -10.607 1.00 1.00 C ATOM 790 CD2 LEU A 55 -0.341 9.068 -8.091 1.00 1.00 C ATOM 0 H LEU A 55 2.566 10.964 -9.572 1.00 1.00 H new ATOM 0 HA LEU A 55 2.925 8.451 -8.003 1.00 1.00 H new ATOM 0 HB2 LEU A 55 1.764 8.310 -10.677 1.00 1.00 H new ATOM 0 HB3 LEU A 55 1.362 7.451 -9.204 1.00 1.00 H new ATOM 0 HG LEU A 55 0.607 10.346 -9.498 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -1.550 9.679 -10.470 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -0.186 9.312 -11.552 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -0.960 8.007 -10.621 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -1.232 9.690 -8.005 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -0.620 8.019 -7.994 1.00 1.00 H new ATOM 0 HD23 LEU A 55 0.363 9.331 -7.302 1.00 1.00 H new ATOM 802 N THR A 56 4.822 9.760 -10.077 1.00 1.00 N ATOM 803 CA THR A 56 6.058 9.635 -10.830 1.00 1.00 C ATOM 804 C THR A 56 7.262 9.652 -9.885 1.00 1.00 C ATOM 805 O THR A 56 8.003 8.673 -9.802 1.00 1.00 O ATOM 806 CB THR A 56 6.091 10.753 -11.874 1.00 1.00 C ATOM 807 OG1 THR A 56 4.920 10.531 -12.656 1.00 1.00 O ATOM 808 CG2 THR A 56 7.240 10.590 -12.871 1.00 1.00 C ATOM 0 H THR A 56 4.563 10.717 -9.839 1.00 1.00 H new ATOM 0 HA THR A 56 6.107 8.680 -11.353 1.00 1.00 H new ATOM 0 HB THR A 56 6.180 11.716 -11.372 1.00 1.00 H new ATOM 0 HG1 THR A 56 4.861 11.213 -13.357 1.00 1.00 H new ATOM 0 HG21 THR A 56 7.217 11.409 -13.589 1.00 1.00 H new ATOM 0 HG22 THR A 56 8.190 10.602 -12.337 1.00 1.00 H new ATOM 0 HG23 THR A 56 7.133 9.642 -13.398 1.00 1.00 H new ATOM 816 N ALA A 57 7.420 10.773 -9.198 1.00 1.00 N ATOM 817 CA ALA A 57 8.521 10.930 -8.263 1.00 1.00 C ATOM 818 C ALA A 57 8.565 9.720 -7.327 1.00 1.00 C ATOM 819 O ALA A 57 7.529 9.141 -7.007 1.00 1.00 O ATOM 820 CB ALA A 57 8.363 12.249 -7.504 1.00 1.00 C ATOM 0 H ALA A 57 6.803 11.582 -9.270 1.00 1.00 H new ATOM 0 HA ALA A 57 9.472 10.972 -8.794 1.00 1.00 H new ATOM 0 HB1 ALA A 57 9.189 12.366 -6.803 1.00 1.00 H new ATOM 0 HB2 ALA A 57 8.367 13.078 -8.211 1.00 1.00 H new ATOM 0 HB3 ALA A 57 7.420 12.243 -6.957 1.00 1.00 H new ATOM 826 N LYS A 58 9.776 9.375 -6.915 1.00 1.00 N ATOM 827 CA LYS A 58 9.969 8.246 -6.022 1.00 1.00 C ATOM 828 C LYS A 58 10.219 8.759 -4.603 1.00 1.00 C ATOM 829 O LYS A 58 9.775 8.149 -3.631 1.00 1.00 O ATOM 830 CB LYS A 58 11.076 7.330 -6.548 1.00 1.00 C ATOM 831 CG LYS A 58 12.339 8.129 -6.877 1.00 1.00 C ATOM 832 CD LYS A 58 12.546 8.231 -8.389 1.00 1.00 C ATOM 833 CE LYS A 58 12.259 9.648 -8.888 1.00 1.00 C ATOM 834 NZ LYS A 58 13.005 9.919 -10.137 1.00 1.00 N ATOM 0 H LYS A 58 10.633 9.858 -7.183 1.00 1.00 H new ATOM 0 HA LYS A 58 9.069 7.632 -5.985 1.00 1.00 H new ATOM 0 HB2 LYS A 58 11.307 6.568 -5.803 1.00 1.00 H new ATOM 0 HB3 LYS A 58 10.728 6.809 -7.440 1.00 1.00 H new ATOM 0 HG2 LYS A 58 12.263 9.128 -6.449 1.00 1.00 H new ATOM 0 HG3 LYS A 58 13.205 7.651 -6.419 1.00 1.00 H new ATOM 0 HD2 LYS A 58 13.570 7.954 -8.639 1.00 1.00 H new ATOM 0 HD3 LYS A 58 11.892 7.523 -8.898 1.00 1.00 H new ATOM 0 HE2 LYS A 58 11.190 9.769 -9.063 1.00 1.00 H new ATOM 0 HE3 LYS A 58 12.541 10.373 -8.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 12.799 10.885 -10.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 14.025 9.824 -9.960 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 12.716 9.239 -10.869 1.00 1.00 H new ATOM 847 N LYS A 59 10.928 9.876 -4.528 1.00 1.00 N ATOM 848 CA LYS A 59 11.242 10.479 -3.244 1.00 1.00 C ATOM 849 C LYS A 59 10.263 11.622 -2.969 1.00 1.00 C ATOM 850 O LYS A 59 9.998 12.441 -3.848 1.00 1.00 O ATOM 851 CB LYS A 59 12.712 10.902 -3.195 1.00 1.00 C ATOM 852 CG LYS A 59 13.311 10.644 -1.812 1.00 1.00 C ATOM 853 CD LYS A 59 13.480 11.951 -1.035 1.00 1.00 C ATOM 854 CE LYS A 59 13.733 11.678 0.449 1.00 1.00 C ATOM 855 NZ LYS A 59 12.766 12.422 1.286 1.00 1.00 N ATOM 0 H LYS A 59 11.294 10.379 -5.336 1.00 1.00 H new ATOM 0 HA LYS A 59 11.117 9.752 -2.441 1.00 1.00 H new ATOM 0 HB2 LYS A 59 13.277 10.353 -3.948 1.00 1.00 H new ATOM 0 HB3 LYS A 59 12.798 11.960 -3.441 1.00 1.00 H new ATOM 0 HG2 LYS A 59 12.666 9.965 -1.253 1.00 1.00 H new ATOM 0 HG3 LYS A 59 14.278 10.151 -1.917 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.311 12.520 -1.451 1.00 1.00 H new ATOM 0 HD3 LYS A 59 12.586 12.564 -1.148 1.00 1.00 H new ATOM 0 HE2 LYS A 59 13.648 10.610 0.648 1.00 1.00 H new ATOM 0 HE3 LYS A 59 14.750 11.971 0.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 12.952 12.225 2.290 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 12.866 13.442 1.109 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 11.799 12.123 1.048 1.00 1.00 H new ATOM 868 N GLY A 60 9.753 11.641 -1.747 1.00 1.00 N ATOM 869 CA GLY A 60 8.810 12.671 -1.345 1.00 1.00 C ATOM 870 C GLY A 60 7.595 12.058 -0.646 1.00 1.00 C ATOM 871 O GLY A 60 7.189 10.941 -0.964 1.00 1.00 O ATOM 0 H GLY A 60 9.975 10.959 -1.021 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.301 13.378 -0.676 1.00 1.00 H new ATOM 0 HA3 GLY A 60 8.485 13.234 -2.220 1.00 1.00 H new ATOM 875 N GLU A 61 7.047 12.816 0.292 1.00 1.00 N ATOM 876 CA GLU A 61 5.886 12.362 1.039 1.00 1.00 C ATOM 877 C GLU A 61 4.612 12.574 0.219 1.00 1.00 C ATOM 878 O GLU A 61 3.506 12.389 0.725 1.00 1.00 O ATOM 879 CB GLU A 61 5.792 13.071 2.391 1.00 1.00 C ATOM 880 CG GLU A 61 7.147 13.076 3.103 1.00 1.00 C ATOM 881 CD GLU A 61 7.234 11.941 4.124 1.00 1.00 C ATOM 882 OE1 GLU A 61 7.936 10.947 3.888 1.00 1.00 O ATOM 883 OE2 GLU A 61 6.540 12.118 5.197 1.00 1.00 O ATOM 0 H GLU A 61 7.386 13.742 0.552 1.00 1.00 H new ATOM 0 HA GLU A 61 5.997 11.295 1.233 1.00 1.00 H new ATOM 0 HB2 GLU A 61 5.450 14.096 2.245 1.00 1.00 H new ATOM 0 HB3 GLU A 61 5.051 12.573 3.016 1.00 1.00 H new ATOM 0 HG2 GLU A 61 7.947 12.973 2.370 1.00 1.00 H new ATOM 0 HG3 GLU A 61 7.295 14.033 3.604 1.00 1.00 H new ATOM 891 N LYS A 62 4.809 12.959 -1.033 1.00 1.00 N ATOM 892 CA LYS A 62 3.690 13.198 -1.928 1.00 1.00 C ATOM 893 C LYS A 62 3.768 12.227 -3.108 1.00 1.00 C ATOM 894 O LYS A 62 3.018 12.356 -4.074 1.00 1.00 O ATOM 895 CB LYS A 62 3.641 14.670 -2.345 1.00 1.00 C ATOM 896 CG LYS A 62 2.588 15.434 -1.540 1.00 1.00 C ATOM 897 CD LYS A 62 3.097 16.822 -1.148 1.00 1.00 C ATOM 898 CE LYS A 62 2.558 17.892 -2.099 1.00 1.00 C ATOM 899 NZ LYS A 62 3.144 19.213 -1.779 1.00 1.00 N ATOM 0 H LYS A 62 5.728 13.111 -1.449 1.00 1.00 H new ATOM 0 HA LYS A 62 2.747 13.004 -1.417 1.00 1.00 H new ATOM 0 HB2 LYS A 62 4.619 15.127 -2.196 1.00 1.00 H new ATOM 0 HB3 LYS A 62 3.414 14.743 -3.409 1.00 1.00 H new ATOM 0 HG2 LYS A 62 1.675 15.530 -2.128 1.00 1.00 H new ATOM 0 HG3 LYS A 62 2.331 14.870 -0.643 1.00 1.00 H new ATOM 0 HD2 LYS A 62 2.791 17.050 -0.127 1.00 1.00 H new ATOM 0 HD3 LYS A 62 4.187 16.832 -1.164 1.00 1.00 H new ATOM 0 HE2 LYS A 62 2.793 17.623 -3.129 1.00 1.00 H new ATOM 0 HE3 LYS A 62 1.472 17.941 -2.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 2.767 19.928 -2.434 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 2.898 19.474 -0.803 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 4.179 19.166 -1.875 1.00 1.00 H new ATOM 912 N SER A 63 4.684 11.277 -2.990 1.00 1.00 N ATOM 913 CA SER A 63 4.871 10.285 -4.035 1.00 1.00 C ATOM 914 C SER A 63 4.144 8.991 -3.664 1.00 1.00 C ATOM 915 O SER A 63 4.443 8.378 -2.639 1.00 1.00 O ATOM 916 CB SER A 63 6.357 10.009 -4.274 1.00 1.00 C ATOM 917 OG SER A 63 6.870 10.761 -5.370 1.00 1.00 O ATOM 0 H SER A 63 5.304 11.173 -2.187 1.00 1.00 H new ATOM 0 HA SER A 63 4.449 10.679 -4.960 1.00 1.00 H new ATOM 0 HB2 SER A 63 6.920 10.251 -3.373 1.00 1.00 H new ATOM 0 HB3 SER A 63 6.502 8.946 -4.464 1.00 1.00 H new ATOM 0 HG SER A 63 6.577 10.354 -6.212 1.00 1.00 H new ATOM 923 N LEU A 64 3.203 8.613 -4.516 1.00 1.00 N ATOM 924 CA LEU A 64 2.431 7.402 -4.290 1.00 1.00 C ATOM 925 C LEU A 64 3.376 6.201 -4.244 1.00 1.00 C ATOM 926 O LEU A 64 3.028 5.112 -3.792 1.00 1.00 O ATOM 927 CB LEU A 64 1.321 7.272 -5.336 1.00 1.00 C ATOM 928 CG LEU A 64 0.458 6.012 -5.243 1.00 1.00 C ATOM 929 CD1 LEU A 64 -0.341 5.989 -3.938 1.00 1.00 C ATOM 930 CD2 LEU A 64 -0.446 5.876 -6.470 1.00 1.00 C ATOM 0 H LEU A 64 2.957 9.124 -5.364 1.00 1.00 H new ATOM 0 HA LEU A 64 1.925 7.447 -3.325 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.669 8.142 -5.256 1.00 1.00 H new ATOM 0 HB3 LEU A 64 1.776 7.305 -6.326 1.00 1.00 H new ATOM 0 HG LEU A 64 1.119 5.145 -5.231 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -0.946 5.083 -3.898 1.00 1.00 H new ATOM 0 HD12 LEU A 64 0.345 6.006 -3.091 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -0.992 6.862 -3.895 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -1.049 4.973 -6.379 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.101 6.744 -6.537 1.00 1.00 H new ATOM 0 HD23 LEU A 64 0.167 5.814 -7.369 1.00 1.00 H new ATOM 942 N TYR A 65 4.600 6.426 -4.729 1.00 1.00 N ATOM 943 CA TYR A 65 5.612 5.390 -4.758 1.00 1.00 C ATOM 944 C TYR A 65 6.331 5.332 -3.418 1.00 1.00 C ATOM 945 O TYR A 65 6.636 4.251 -2.919 1.00 1.00 O ATOM 946 CB TYR A 65 6.597 5.674 -5.888 1.00 1.00 C ATOM 947 CG TYR A 65 7.516 4.515 -6.193 1.00 1.00 C ATOM 948 CD1 TYR A 65 8.663 4.309 -5.417 1.00 1.00 C ATOM 949 CD2 TYR A 65 7.221 3.648 -7.251 1.00 1.00 C ATOM 950 CE1 TYR A 65 9.514 3.234 -5.700 1.00 1.00 C ATOM 951 CE2 TYR A 65 8.073 2.573 -7.534 1.00 1.00 C ATOM 952 CZ TYR A 65 9.219 2.366 -6.758 1.00 1.00 C ATOM 953 OH TYR A 65 10.049 1.319 -7.032 1.00 1.00 O ATOM 0 H TYR A 65 4.906 7.323 -5.106 1.00 1.00 H new ATOM 0 HA TYR A 65 5.142 4.423 -4.937 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.040 5.932 -6.789 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.198 6.544 -5.625 1.00 1.00 H new ATOM 0 HD1 TYR A 65 8.891 4.979 -4.601 1.00 1.00 H new ATOM 0 HD2 TYR A 65 6.336 3.808 -7.849 1.00 1.00 H new ATOM 0 HE1 TYR A 65 10.399 3.074 -5.102 1.00 1.00 H new ATOM 0 HE2 TYR A 65 7.846 1.904 -8.351 1.00 1.00 H new ATOM 0 HH TYR A 65 10.481 1.019 -6.205 1.00 1.00 H new ATOM 963 N TYR A 66 6.600 6.502 -2.834 1.00 1.00 N ATOM 964 CA TYR A 66 7.282 6.578 -1.557 1.00 1.00 C ATOM 965 C TYR A 66 6.378 6.041 -0.457 1.00 1.00 C ATOM 966 O TYR A 66 6.797 6.020 0.700 1.00 1.00 O ATOM 967 CB TYR A 66 7.673 8.026 -1.277 1.00 1.00 C ATOM 968 CG TYR A 66 8.741 8.168 -0.219 1.00 1.00 C ATOM 969 CD1 TYR A 66 9.861 7.328 -0.238 1.00 1.00 C ATOM 970 CD2 TYR A 66 8.612 9.140 0.781 1.00 1.00 C ATOM 971 CE1 TYR A 66 10.852 7.460 0.742 1.00 1.00 C ATOM 972 CE2 TYR A 66 9.603 9.271 1.761 1.00 1.00 C ATOM 973 CZ TYR A 66 10.722 8.432 1.742 1.00 1.00 C ATOM 974 OH TYR A 66 11.688 8.560 2.697 1.00 1.00 O ATOM 0 H TYR A 66 6.352 7.407 -3.233 1.00 1.00 H new ATOM 0 HA TYR A 66 8.186 5.970 -1.586 1.00 1.00 H new ATOM 0 HB2 TYR A 66 8.025 8.484 -2.201 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.787 8.579 -0.964 1.00 1.00 H new ATOM 0 HD1 TYR A 66 9.960 6.578 -1.009 1.00 1.00 H new ATOM 0 HD2 TYR A 66 7.748 9.788 0.796 1.00 1.00 H new ATOM 0 HE1 TYR A 66 11.716 6.813 0.727 1.00 1.00 H new ATOM 0 HE2 TYR A 66 9.503 10.020 2.532 1.00 1.00 H new ATOM 0 HH TYR A 66 11.444 9.281 3.314 1.00 1.00 H new ATOM 984 N VAL A 67 5.176 5.623 -0.827 1.00 1.00 N ATOM 985 CA VAL A 67 4.236 5.092 0.146 1.00 1.00 C ATOM 986 C VAL A 67 3.887 3.650 -0.225 1.00 1.00 C ATOM 987 O VAL A 67 2.738 3.231 -0.087 1.00 1.00 O ATOM 988 CB VAL A 67 3.008 6.001 0.236 1.00 1.00 C ATOM 989 CG1 VAL A 67 3.124 6.961 1.422 1.00 1.00 C ATOM 990 CG2 VAL A 67 2.794 6.766 -1.071 1.00 1.00 C ATOM 0 H VAL A 67 4.832 5.641 -1.787 1.00 1.00 H new ATOM 0 HA VAL A 67 4.683 5.073 1.140 1.00 1.00 H new ATOM 0 HB VAL A 67 2.135 5.370 0.400 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.239 7.596 1.464 1.00 1.00 H new ATOM 0 HG12 VAL A 67 3.204 6.389 2.346 1.00 1.00 H new ATOM 0 HG13 VAL A 67 4.011 7.583 1.302 1.00 1.00 H new ATOM 0 HG21 VAL A 67 1.915 7.404 -0.979 1.00 1.00 H new ATOM 0 HG22 VAL A 67 3.669 7.381 -1.280 1.00 1.00 H new ATOM 0 HG23 VAL A 67 2.645 6.058 -1.887 1.00 1.00 H new ATOM 1000 N VAL A 68 4.898 2.930 -0.687 1.00 1.00 N ATOM 1001 CA VAL A 68 4.712 1.543 -1.079 1.00 1.00 C ATOM 1002 C VAL A 68 6.068 0.834 -1.090 1.00 1.00 C ATOM 1003 O VAL A 68 6.214 -0.255 -0.539 1.00 1.00 O ATOM 1004 CB VAL A 68 3.989 1.471 -2.425 1.00 1.00 C ATOM 1005 CG1 VAL A 68 4.023 0.050 -2.991 1.00 1.00 C ATOM 1006 CG2 VAL A 68 2.551 1.978 -2.303 1.00 1.00 C ATOM 0 H VAL A 68 5.849 3.281 -0.799 1.00 1.00 H new ATOM 0 HA VAL A 68 4.080 1.025 -0.358 1.00 1.00 H new ATOM 0 HB VAL A 68 4.516 2.122 -3.123 1.00 1.00 H new ATOM 0 HG11 VAL A 68 3.502 0.027 -3.948 1.00 1.00 H new ATOM 0 HG12 VAL A 68 5.058 -0.260 -3.134 1.00 1.00 H new ATOM 0 HG13 VAL A 68 3.533 -0.631 -2.295 1.00 1.00 H new ATOM 0 HG21 VAL A 68 2.060 1.916 -3.274 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.009 1.365 -1.582 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.558 3.014 -1.965 1.00 1.00 H new ATOM 1016 N HIS A 69 7.039 1.486 -1.730 1.00 1.00 N ATOM 1017 CA HIS A 69 8.398 0.968 -1.845 1.00 1.00 C ATOM 1018 C HIS A 69 9.332 1.741 -0.897 1.00 1.00 C ATOM 1019 O HIS A 69 10.494 1.975 -1.229 1.00 1.00 O ATOM 1020 CB HIS A 69 8.821 1.008 -3.322 1.00 1.00 C ATOM 1021 CG HIS A 69 7.761 0.660 -4.342 1.00 1.00 C ATOM 1022 ND1 HIS A 69 6.713 1.452 -4.588 1.00 1.00 N ATOM 1023 CD2 HIS A 69 7.625 -0.425 -5.174 1.00 1.00 C ATOM 1024 CE1 HIS A 69 5.953 0.881 -5.536 1.00 1.00 C ATOM 1025 NE2 HIS A 69 6.470 -0.280 -5.933 1.00 1.00 N ATOM 0 H HIS A 69 6.903 2.390 -2.183 1.00 1.00 H new ATOM 0 HA HIS A 69 8.456 -0.074 -1.531 1.00 1.00 H new ATOM 0 HB2 HIS A 69 9.190 2.010 -3.543 1.00 1.00 H new ATOM 0 HB3 HIS A 69 9.659 0.323 -3.455 1.00 1.00 H new ATOM 0 HD1 HIS A 69 6.522 2.344 -4.131 1.00 1.00 H new ATOM 0 HD2 HIS A 69 8.308 -1.259 -5.229 1.00 1.00 H new ATOM 0 HE1 HIS A 69 5.041 1.308 -5.926 1.00 1.00 H new ATOM 1033 N ALA A 70 8.792 2.111 0.254 1.00 1.00 N ATOM 1034 CA ALA A 70 9.564 2.847 1.241 1.00 1.00 C ATOM 1035 C ALA A 70 9.746 1.980 2.489 1.00 1.00 C ATOM 1036 O ALA A 70 8.890 1.971 3.372 1.00 1.00 O ATOM 1037 CB ALA A 70 8.867 4.174 1.549 1.00 1.00 C ATOM 0 H ALA A 70 7.829 1.915 0.526 1.00 1.00 H new ATOM 0 HA ALA A 70 10.556 3.082 0.855 1.00 1.00 H new ATOM 0 HB1 ALA A 70 9.446 4.726 2.289 1.00 1.00 H new ATOM 0 HB2 ALA A 70 8.789 4.764 0.636 1.00 1.00 H new ATOM 0 HB3 ALA A 70 7.869 3.978 1.941 1.00 1.00 H new ATOM 1043 N ARG A 71 10.866 1.274 2.522 1.00 1.00 N ATOM 1044 CA ARG A 71 11.171 0.407 3.647 1.00 1.00 C ATOM 1045 C ARG A 71 11.967 1.172 4.707 1.00 1.00 C ATOM 1046 O ARG A 71 12.058 0.737 5.853 1.00 1.00 O ATOM 1047 CB ARG A 71 11.976 -0.815 3.198 1.00 1.00 C ATOM 1048 CG ARG A 71 13.322 -0.397 2.604 1.00 1.00 C ATOM 1049 CD ARG A 71 13.602 -1.147 1.300 1.00 1.00 C ATOM 1050 NE ARG A 71 14.131 -0.212 0.282 1.00 1.00 N ATOM 1051 CZ ARG A 71 14.113 -0.451 -1.047 1.00 1.00 C ATOM 1052 NH1 ARG A 71 13.591 -1.599 -1.530 1.00 1.00 N ATOM 1053 NH2 ARG A 71 14.612 0.455 -1.867 1.00 1.00 N ATOM 0 H ARG A 71 11.574 1.285 1.788 1.00 1.00 H new ATOM 0 HA ARG A 71 10.225 0.070 4.071 1.00 1.00 H new ATOM 0 HB2 ARG A 71 12.140 -1.479 4.047 1.00 1.00 H new ATOM 0 HB3 ARG A 71 11.407 -1.378 2.458 1.00 1.00 H new ATOM 0 HG2 ARG A 71 13.324 0.677 2.418 1.00 1.00 H new ATOM 0 HG3 ARG A 71 14.118 -0.597 3.321 1.00 1.00 H new ATOM 0 HD2 ARG A 71 14.320 -1.948 1.478 1.00 1.00 H new ATOM 0 HD3 ARG A 71 12.687 -1.614 0.936 1.00 1.00 H new ATOM 0 HE ARG A 71 14.534 0.668 0.604 1.00 1.00 H new ATOM 0 HH11 ARG A 71 13.206 -2.293 -0.890 1.00 1.00 H new ATOM 0 HH12 ARG A 71 13.581 -1.772 -2.535 1.00 1.00 H new ATOM 0 HH21 ARG A 71 15.003 1.320 -1.494 1.00 1.00 H new ATOM 0 HH22 ARG A 71 14.606 0.290 -2.874 1.00 1.00 H new ATOM 1063 N GLY A 72 12.522 2.299 4.285 1.00 1.00 N ATOM 1064 CA GLY A 72 13.306 3.128 5.183 1.00 1.00 C ATOM 1065 C GLY A 72 12.435 3.700 6.303 1.00 1.00 C ATOM 1066 O GLY A 72 11.364 3.170 6.594 1.00 1.00 O ATOM 0 H GLY A 72 12.444 2.657 3.333 1.00 1.00 H new ATOM 0 HA2 GLY A 72 14.116 2.539 5.613 1.00 1.00 H new ATOM 0 HA3 GLY A 72 13.766 3.942 4.623 1.00 1.00 H new ATOM 1070 N GLU A 73 12.926 4.775 6.902 1.00 1.00 N ATOM 1071 CA GLU A 73 12.206 5.425 7.983 1.00 1.00 C ATOM 1072 C GLU A 73 11.147 6.376 7.419 1.00 1.00 C ATOM 1073 O GLU A 73 11.405 7.098 6.458 1.00 1.00 O ATOM 1074 CB GLU A 73 13.167 6.166 8.915 1.00 1.00 C ATOM 1075 CG GLU A 73 13.237 5.485 10.283 1.00 1.00 C ATOM 1076 CD GLU A 73 12.546 6.332 11.354 1.00 1.00 C ATOM 1077 OE1 GLU A 73 11.427 6.817 11.133 1.00 1.00 O ATOM 1078 OE2 GLU A 73 13.214 6.479 12.448 1.00 1.00 O ATOM 0 H GLU A 73 13.815 5.212 6.659 1.00 1.00 H new ATOM 0 HA GLU A 73 11.702 4.658 8.570 1.00 1.00 H new ATOM 0 HB2 GLU A 73 14.161 6.197 8.469 1.00 1.00 H new ATOM 0 HB3 GLU A 73 12.839 7.199 9.035 1.00 1.00 H new ATOM 0 HG2 GLU A 73 12.765 4.504 10.229 1.00 1.00 H new ATOM 0 HG3 GLU A 73 14.279 5.322 10.559 1.00 1.00 H new ATOM 1086 N LEU A 74 9.978 6.345 8.043 1.00 1.00 N ATOM 1087 CA LEU A 74 8.880 7.195 7.616 1.00 1.00 C ATOM 1088 C LEU A 74 8.029 7.570 8.830 1.00 1.00 C ATOM 1089 O LEU A 74 8.402 7.283 9.967 1.00 1.00 O ATOM 1090 CB LEU A 74 8.087 6.522 6.493 1.00 1.00 C ATOM 1091 CG LEU A 74 8.915 5.892 5.371 1.00 1.00 C ATOM 1092 CD1 LEU A 74 8.079 4.898 4.564 1.00 1.00 C ATOM 1093 CD2 LEU A 74 9.541 6.969 4.482 1.00 1.00 C ATOM 0 H LEU A 74 9.768 5.745 8.840 1.00 1.00 H new ATOM 0 HA LEU A 74 9.260 8.125 7.194 1.00 1.00 H new ATOM 0 HB2 LEU A 74 7.459 5.747 6.933 1.00 1.00 H new ATOM 0 HB3 LEU A 74 7.419 7.262 6.053 1.00 1.00 H new ATOM 0 HG LEU A 74 9.733 5.331 5.823 1.00 1.00 H new ATOM 0 HD11 LEU A 74 8.692 4.465 3.773 1.00 1.00 H new ATOM 0 HD12 LEU A 74 7.722 4.105 5.221 1.00 1.00 H new ATOM 0 HD13 LEU A 74 7.227 5.414 4.121 1.00 1.00 H new ATOM 0 HD21 LEU A 74 10.124 6.495 3.692 1.00 1.00 H new ATOM 0 HD22 LEU A 74 8.753 7.576 4.036 1.00 1.00 H new ATOM 0 HD23 LEU A 74 10.192 7.604 5.083 1.00 1.00 H new ATOM 1105 N LYS A 75 6.901 8.205 8.549 1.00 1.00 N ATOM 1106 CA LYS A 75 5.994 8.622 9.605 1.00 1.00 C ATOM 1107 C LYS A 75 4.962 7.519 9.851 1.00 1.00 C ATOM 1108 O LYS A 75 4.423 7.402 10.950 1.00 1.00 O ATOM 1109 CB LYS A 75 5.373 9.981 9.272 1.00 1.00 C ATOM 1110 CG LYS A 75 6.439 10.968 8.793 1.00 1.00 C ATOM 1111 CD LYS A 75 7.140 11.637 9.978 1.00 1.00 C ATOM 1112 CE LYS A 75 8.597 11.183 10.080 1.00 1.00 C ATOM 1113 NZ LYS A 75 8.941 10.854 11.482 1.00 1.00 N ATOM 0 H LYS A 75 6.594 8.441 7.605 1.00 1.00 H new ATOM 0 HA LYS A 75 6.537 8.765 10.539 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.613 9.858 8.500 1.00 1.00 H new ATOM 0 HB3 LYS A 75 4.871 10.381 10.153 1.00 1.00 H new ATOM 0 HG2 LYS A 75 7.173 10.446 8.179 1.00 1.00 H new ATOM 0 HG3 LYS A 75 5.978 11.728 8.162 1.00 1.00 H new ATOM 0 HD2 LYS A 75 7.100 12.720 9.865 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.614 11.394 10.901 1.00 1.00 H new ATOM 0 HE2 LYS A 75 8.758 10.311 9.446 1.00 1.00 H new ATOM 0 HE3 LYS A 75 9.256 11.970 9.713 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 9.934 10.548 11.533 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 8.807 11.695 12.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 8.324 10.088 11.820 1.00 1.00 H new ATOM 1126 N HIS A 76 4.719 6.738 8.809 1.00 1.00 N ATOM 1127 CA HIS A 76 3.762 5.648 8.898 1.00 1.00 C ATOM 1128 C HIS A 76 4.425 4.344 8.449 1.00 1.00 C ATOM 1129 O HIS A 76 5.642 4.291 8.271 1.00 1.00 O ATOM 1130 CB HIS A 76 2.494 5.972 8.105 1.00 1.00 C ATOM 1131 CG HIS A 76 1.845 7.279 8.492 1.00 1.00 C ATOM 1132 ND1 HIS A 76 1.411 8.320 7.726 1.00 1.00 N flip ATOM 1133 CD2 HIS A 76 1.581 7.624 9.806 1.00 1.00 C flip ATOM 1134 CE1 HIS A 76 0.908 9.251 8.527 1.00 1.00 C flip ATOM 1135 NE2 HIS A 76 1.013 8.821 9.818 1.00 1.00 N flip ATOM 0 H HIS A 76 5.168 6.838 7.899 1.00 1.00 H new ATOM 0 HA HIS A 76 3.450 5.518 9.934 1.00 1.00 H new ATOM 0 HB2 HIS A 76 2.739 6.000 7.043 1.00 1.00 H new ATOM 0 HB3 HIS A 76 1.774 5.165 8.245 1.00 1.00 H new ATOM 0 HD1 HIS A 76 1.464 8.374 6.709 1.00 1.00 H new ATOM 0 HD2 HIS A 76 1.801 7.020 10.674 1.00 1.00 H new ATOM 0 HE1 HIS A 76 0.486 10.193 8.210 1.00 1.00 H new ATOM 1143 N THR A 77 3.597 3.325 8.277 1.00 1.00 N ATOM 1144 CA THR A 77 4.088 2.025 7.852 1.00 1.00 C ATOM 1145 C THR A 77 3.745 1.780 6.381 1.00 1.00 C ATOM 1146 O THR A 77 2.589 1.905 5.981 1.00 1.00 O ATOM 1147 CB THR A 77 3.508 0.969 8.795 1.00 1.00 C ATOM 1148 OG1 THR A 77 4.291 1.093 9.979 1.00 1.00 O ATOM 1149 CG2 THR A 77 3.781 -0.458 8.315 1.00 1.00 C ATOM 0 H THR A 77 2.589 3.373 8.424 1.00 1.00 H new ATOM 0 HA THR A 77 5.175 1.974 7.913 1.00 1.00 H new ATOM 0 HB THR A 77 2.433 1.120 8.891 1.00 1.00 H new ATOM 0 HG1 THR A 77 3.981 0.445 10.646 1.00 1.00 H new ATOM 0 HG21 THR A 77 3.348 -1.168 9.020 1.00 1.00 H new ATOM 0 HG22 THR A 77 3.333 -0.603 7.332 1.00 1.00 H new ATOM 0 HG23 THR A 77 4.857 -0.621 8.250 1.00 1.00 H new ATOM 1157 N SER A 78 4.771 1.436 5.617 1.00 1.00 N ATOM 1158 CA SER A 78 4.593 1.173 4.199 1.00 1.00 C ATOM 1159 C SER A 78 4.220 -0.295 3.982 1.00 1.00 C ATOM 1160 O SER A 78 4.267 -1.095 4.915 1.00 1.00 O ATOM 1161 CB SER A 78 5.858 1.521 3.411 1.00 1.00 C ATOM 1162 OG SER A 78 5.906 2.901 3.061 1.00 1.00 O ATOM 0 H SER A 78 5.729 1.333 5.953 1.00 1.00 H new ATOM 0 HA SER A 78 3.784 1.805 3.833 1.00 1.00 H new ATOM 0 HB2 SER A 78 6.736 1.267 4.004 1.00 1.00 H new ATOM 0 HB3 SER A 78 5.899 0.916 2.505 1.00 1.00 H new ATOM 0 HG SER A 78 5.942 2.990 2.086 1.00 1.00 H new ATOM 1168 N CYS A 79 3.856 -0.603 2.746 1.00 1.00 N ATOM 1169 CA CYS A 79 3.475 -1.961 2.395 1.00 1.00 C ATOM 1170 C CYS A 79 4.725 -2.841 2.451 1.00 1.00 C ATOM 1171 O CYS A 79 4.825 -3.730 3.296 1.00 1.00 O ATOM 1172 CB CYS A 79 2.796 -2.021 1.025 1.00 1.00 C ATOM 1173 SG CYS A 79 1.778 -0.558 0.607 1.00 1.00 S ATOM 0 H CYS A 79 3.817 0.064 1.975 1.00 1.00 H new ATOM 0 HA CYS A 79 2.740 -2.331 3.109 1.00 1.00 H new ATOM 0 HB2 CYS A 79 3.563 -2.143 0.260 1.00 1.00 H new ATOM 0 HB3 CYS A 79 2.164 -2.908 0.987 1.00 1.00 H new ATOM 1178 N LEU A 80 5.648 -2.563 1.542 1.00 1.00 N ATOM 1179 CA LEU A 80 6.887 -3.318 1.478 1.00 1.00 C ATOM 1180 C LEU A 80 7.477 -3.442 2.884 1.00 1.00 C ATOM 1181 O LEU A 80 8.255 -4.355 3.157 1.00 1.00 O ATOM 1182 CB LEU A 80 7.845 -2.692 0.462 1.00 1.00 C ATOM 1183 CG LEU A 80 7.739 -3.217 -0.971 1.00 1.00 C ATOM 1184 CD1 LEU A 80 6.434 -2.759 -1.627 1.00 1.00 C ATOM 1185 CD2 LEU A 80 8.965 -2.816 -1.793 1.00 1.00 C ATOM 0 H LEU A 80 5.562 -1.825 0.843 1.00 1.00 H new ATOM 0 HA LEU A 80 6.698 -4.330 1.121 1.00 1.00 H new ATOM 0 HB2 LEU A 80 7.675 -1.616 0.447 1.00 1.00 H new ATOM 0 HB3 LEU A 80 8.866 -2.848 0.811 1.00 1.00 H new ATOM 0 HG LEU A 80 7.717 -4.306 -0.936 1.00 1.00 H new ATOM 0 HD11 LEU A 80 6.383 -3.146 -2.645 1.00 1.00 H new ATOM 0 HD12 LEU A 80 5.587 -3.135 -1.053 1.00 1.00 H new ATOM 0 HD13 LEU A 80 6.401 -1.670 -1.651 1.00 1.00 H new ATOM 0 HD21 LEU A 80 8.865 -3.201 -2.808 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.043 -1.729 -1.824 1.00 1.00 H new ATOM 0 HD23 LEU A 80 9.862 -3.231 -1.334 1.00 1.00 H new ATOM 1197 N ALA A 81 7.085 -2.510 3.740 1.00 1.00 N ATOM 1198 CA ALA A 81 7.565 -2.502 5.111 1.00 1.00 C ATOM 1199 C ALA A 81 6.928 -3.664 5.876 1.00 1.00 C ATOM 1200 O ALA A 81 7.627 -4.445 6.521 1.00 1.00 O ATOM 1201 CB ALA A 81 7.261 -1.147 5.752 1.00 1.00 C ATOM 0 H ALA A 81 6.440 -1.754 3.510 1.00 1.00 H new ATOM 0 HA ALA A 81 8.646 -2.640 5.139 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.622 -1.142 6.781 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.760 -0.358 5.189 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.185 -0.974 5.744 1.00 1.00 H new ATOM 1207 N CYS A 82 5.609 -3.743 5.779 1.00 1.00 N ATOM 1208 CA CYS A 82 4.870 -4.796 6.454 1.00 1.00 C ATOM 1209 C CYS A 82 4.684 -5.956 5.473 1.00 1.00 C ATOM 1210 O CYS A 82 3.660 -6.636 5.489 1.00 1.00 O ATOM 1211 CB CYS A 82 3.533 -4.289 6.999 1.00 1.00 C ATOM 1212 SG CYS A 82 2.722 -5.601 7.985 1.00 1.00 S ATOM 0 H CYS A 82 5.033 -3.094 5.243 1.00 1.00 H new ATOM 0 HA CYS A 82 5.433 -5.141 7.321 1.00 1.00 H new ATOM 0 HB2 CYS A 82 3.694 -3.405 7.617 1.00 1.00 H new ATOM 0 HB3 CYS A 82 2.885 -3.989 6.175 1.00 1.00 H new ATOM 1217 N HIS A 83 5.699 -6.151 4.632 1.00 1.00 N ATOM 1218 CA HIS A 83 5.702 -7.208 3.627 1.00 1.00 C ATOM 1219 C HIS A 83 7.047 -7.957 3.663 1.00 1.00 C ATOM 1220 O HIS A 83 7.070 -9.187 3.638 1.00 1.00 O ATOM 1221 CB HIS A 83 5.357 -6.595 2.261 1.00 1.00 C ATOM 1222 CG HIS A 83 3.904 -6.629 1.849 1.00 1.00 C ATOM 1223 ND1 HIS A 83 3.516 -6.894 0.598 1.00 1.00 N ATOM 1224 CD2 HIS A 83 2.752 -6.421 2.570 1.00 1.00 C ATOM 1225 CE1 HIS A 83 2.176 -6.852 0.541 1.00 1.00 C ATOM 1226 NE2 HIS A 83 1.653 -6.564 1.732 1.00 1.00 N ATOM 0 H HIS A 83 6.543 -5.578 4.630 1.00 1.00 H new ATOM 0 HA HIS A 83 4.940 -7.959 3.835 1.00 1.00 H new ATOM 0 HB2 HIS A 83 5.686 -5.556 2.262 1.00 1.00 H new ATOM 0 HB3 HIS A 83 5.939 -7.113 1.499 1.00 1.00 H new ATOM 0 HD1 HIS A 83 4.137 -7.095 -0.186 1.00 1.00 H new ATOM 0 HD2 HIS A 83 2.708 -6.184 3.623 1.00 1.00 H new ATOM 0 HE1 HIS A 83 1.597 -7.029 -0.353 1.00 1.00 H new ATOM 1234 N SER A 84 8.123 -7.187 3.722 1.00 1.00 N ATOM 1235 CA SER A 84 9.456 -7.766 3.763 1.00 1.00 C ATOM 1236 C SER A 84 9.722 -8.369 5.143 1.00 1.00 C ATOM 1237 O SER A 84 10.644 -9.166 5.309 1.00 1.00 O ATOM 1238 CB SER A 84 10.521 -6.720 3.426 1.00 1.00 C ATOM 1239 OG SER A 84 10.361 -5.530 4.193 1.00 1.00 O ATOM 0 H SER A 84 8.100 -6.167 3.742 1.00 1.00 H new ATOM 0 HA SER A 84 9.510 -8.555 3.013 1.00 1.00 H new ATOM 0 HB2 SER A 84 11.511 -7.139 3.608 1.00 1.00 H new ATOM 0 HB3 SER A 84 10.468 -6.477 2.365 1.00 1.00 H new ATOM 0 HG SER A 84 9.844 -4.876 3.678 1.00 1.00 H new ATOM 1245 N LYS A 85 8.898 -7.966 6.099 1.00 1.00 N ATOM 1246 CA LYS A 85 9.033 -8.457 7.460 1.00 1.00 C ATOM 1247 C LYS A 85 8.112 -9.663 7.656 1.00 1.00 C ATOM 1248 O LYS A 85 8.453 -10.598 8.379 1.00 1.00 O ATOM 1249 CB LYS A 85 8.790 -7.328 8.464 1.00 1.00 C ATOM 1250 CG LYS A 85 9.979 -6.366 8.505 1.00 1.00 C ATOM 1251 CD LYS A 85 9.549 -4.982 8.996 1.00 1.00 C ATOM 1252 CE LYS A 85 10.739 -4.207 9.565 1.00 1.00 C ATOM 1253 NZ LYS A 85 10.445 -2.757 9.597 1.00 1.00 N ATOM 0 H LYS A 85 8.134 -7.305 5.958 1.00 1.00 H new ATOM 0 HA LYS A 85 10.052 -8.800 7.642 1.00 1.00 H new ATOM 0 HB2 LYS A 85 7.886 -6.783 8.192 1.00 1.00 H new ATOM 0 HB3 LYS A 85 8.623 -7.748 9.456 1.00 1.00 H new ATOM 0 HG2 LYS A 85 10.751 -6.765 9.162 1.00 1.00 H new ATOM 0 HG3 LYS A 85 10.418 -6.283 7.511 1.00 1.00 H new ATOM 0 HD2 LYS A 85 9.106 -4.422 8.173 1.00 1.00 H new ATOM 0 HD3 LYS A 85 8.780 -5.087 9.761 1.00 1.00 H new ATOM 0 HE2 LYS A 85 10.964 -4.561 10.571 1.00 1.00 H new ATOM 0 HE3 LYS A 85 11.625 -4.391 8.957 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 11.263 -2.245 9.986 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 10.253 -2.420 8.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 9.612 -2.585 10.196 1.00 1.00 H new ATOM 1266 N VAL A 86 6.963 -9.602 7.000 1.00 1.00 N ATOM 1267 CA VAL A 86 5.990 -10.678 7.094 1.00 1.00 C ATOM 1268 C VAL A 86 6.606 -11.966 6.545 1.00 1.00 C ATOM 1269 O VAL A 86 6.409 -13.042 7.109 1.00 1.00 O ATOM 1270 CB VAL A 86 4.699 -10.280 6.376 1.00 1.00 C ATOM 1271 CG1 VAL A 86 3.875 -11.514 6.004 1.00 1.00 C ATOM 1272 CG2 VAL A 86 3.877 -9.307 7.224 1.00 1.00 C ATOM 0 H VAL A 86 6.683 -8.825 6.401 1.00 1.00 H new ATOM 0 HA VAL A 86 5.724 -10.863 8.135 1.00 1.00 H new ATOM 0 HB VAL A 86 4.974 -9.770 5.453 1.00 1.00 H new ATOM 0 HG11 VAL A 86 2.963 -11.203 5.495 1.00 1.00 H new ATOM 0 HG12 VAL A 86 4.458 -12.155 5.343 1.00 1.00 H new ATOM 0 HG13 VAL A 86 3.616 -12.065 6.908 1.00 1.00 H new ATOM 0 HG21 VAL A 86 2.965 -9.040 6.690 1.00 1.00 H new ATOM 0 HG22 VAL A 86 3.618 -9.779 8.172 1.00 1.00 H new ATOM 0 HG23 VAL A 86 4.462 -8.407 7.415 1.00 1.00 H new ATOM 1282 N VAL A 87 7.340 -11.814 5.453 1.00 1.00 N ATOM 1283 CA VAL A 87 7.987 -12.953 4.822 1.00 1.00 C ATOM 1284 C VAL A 87 9.030 -13.535 5.777 1.00 1.00 C ATOM 1285 O VAL A 87 9.441 -14.685 5.627 1.00 1.00 O ATOM 1286 CB VAL A 87 8.578 -12.537 3.473 1.00 1.00 C ATOM 1287 CG1 VAL A 87 7.472 -12.228 2.462 1.00 1.00 C ATOM 1288 CG2 VAL A 87 9.524 -11.346 3.632 1.00 1.00 C ATOM 0 H VAL A 87 7.501 -10.920 4.989 1.00 1.00 H new ATOM 0 HA VAL A 87 7.261 -13.739 4.616 1.00 1.00 H new ATOM 0 HB VAL A 87 9.158 -13.376 3.089 1.00 1.00 H new ATOM 0 HG11 VAL A 87 7.919 -11.935 1.512 1.00 1.00 H new ATOM 0 HG12 VAL A 87 6.855 -13.115 2.315 1.00 1.00 H new ATOM 0 HG13 VAL A 87 6.852 -11.414 2.838 1.00 1.00 H new ATOM 0 HG21 VAL A 87 9.930 -11.071 2.658 1.00 1.00 H new ATOM 0 HG22 VAL A 87 8.977 -10.500 4.049 1.00 1.00 H new ATOM 0 HG23 VAL A 87 10.340 -11.617 4.302 1.00 1.00 H new ATOM 1298 N ALA A 88 9.428 -12.716 6.739 1.00 1.00 N ATOM 1299 CA ALA A 88 10.415 -13.136 7.719 1.00 1.00 C ATOM 1300 C ALA A 88 10.081 -14.549 8.200 1.00 1.00 C ATOM 1301 O ALA A 88 10.974 -15.377 8.373 1.00 1.00 O ATOM 1302 CB ALA A 88 10.458 -12.124 8.866 1.00 1.00 C ATOM 0 H ALA A 88 9.085 -11.763 6.861 1.00 1.00 H new ATOM 0 HA ALA A 88 11.409 -13.166 7.274 1.00 1.00 H new ATOM 0 HB1 ALA A 88 11.198 -12.439 9.601 1.00 1.00 H new ATOM 0 HB2 ALA A 88 10.729 -11.143 8.476 1.00 1.00 H new ATOM 0 HB3 ALA A 88 9.478 -12.068 9.339 1.00 1.00 H new ATOM 1308 N GLU A 89 8.793 -14.782 8.402 1.00 1.00 N ATOM 1309 CA GLU A 89 8.329 -16.081 8.860 1.00 1.00 C ATOM 1310 C GLU A 89 7.960 -16.963 7.666 1.00 1.00 C ATOM 1311 O GLU A 89 7.929 -18.188 7.781 1.00 1.00 O ATOM 1312 CB GLU A 89 7.147 -15.934 9.820 1.00 1.00 C ATOM 1313 CG GLU A 89 7.620 -15.497 11.208 1.00 1.00 C ATOM 1314 CD GLU A 89 7.400 -16.609 12.237 1.00 1.00 C ATOM 1315 OE1 GLU A 89 6.314 -17.206 12.281 1.00 1.00 O ATOM 1316 OE2 GLU A 89 8.407 -16.845 13.008 1.00 1.00 O ATOM 0 H GLU A 89 8.055 -14.093 8.257 1.00 1.00 H new ATOM 0 HA GLU A 89 9.140 -16.563 9.406 1.00 1.00 H new ATOM 0 HB2 GLU A 89 6.442 -15.203 9.425 1.00 1.00 H new ATOM 0 HB3 GLU A 89 6.614 -16.882 9.895 1.00 1.00 H new ATOM 0 HG2 GLU A 89 8.677 -15.235 11.170 1.00 1.00 H new ATOM 0 HG3 GLU A 89 7.081 -14.601 11.515 1.00 1.00 H new ATOM 1324 N LYS A 90 7.689 -16.307 6.547 1.00 1.00 N ATOM 1325 CA LYS A 90 7.323 -17.017 5.333 1.00 1.00 C ATOM 1326 C LYS A 90 8.138 -16.467 4.161 1.00 1.00 C ATOM 1327 O LYS A 90 7.724 -15.556 3.448 1.00 1.00 O ATOM 1328 CB LYS A 90 5.810 -16.956 5.113 1.00 1.00 C ATOM 1329 CG LYS A 90 5.299 -15.517 5.210 1.00 1.00 C ATOM 1330 CD LYS A 90 3.983 -15.453 5.986 1.00 1.00 C ATOM 1331 CE LYS A 90 2.793 -15.760 5.074 1.00 1.00 C ATOM 1332 NZ LYS A 90 1.824 -16.641 5.764 1.00 1.00 N ATOM 0 H LYS A 90 7.716 -15.291 6.456 1.00 1.00 H new ATOM 0 HA LYS A 90 7.566 -18.076 5.422 1.00 1.00 H new ATOM 0 HB2 LYS A 90 5.564 -17.368 4.134 1.00 1.00 H new ATOM 0 HB3 LYS A 90 5.306 -17.575 5.855 1.00 1.00 H new ATOM 0 HG2 LYS A 90 6.046 -14.895 5.702 1.00 1.00 H new ATOM 0 HG3 LYS A 90 5.155 -15.110 4.209 1.00 1.00 H new ATOM 0 HD2 LYS A 90 4.008 -16.166 6.810 1.00 1.00 H new ATOM 0 HD3 LYS A 90 3.863 -14.462 6.425 1.00 1.00 H new ATOM 0 HE2 LYS A 90 2.304 -14.831 4.780 1.00 1.00 H new ATOM 0 HE3 LYS A 90 3.142 -16.240 4.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 1.023 -16.839 5.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 2.290 -17.534 6.023 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 1.477 -16.170 6.624 1.00 1.00 H new ATOM 1345 N PRO A 91 9.324 -17.051 3.976 1.00 1.00 N ATOM 1346 CA PRO A 91 10.256 -16.692 2.928 1.00 1.00 C ATOM 1347 C PRO A 91 9.812 -17.317 1.613 1.00 1.00 C ATOM 1348 O PRO A 91 10.574 -17.277 0.649 1.00 1.00 O ATOM 1349 CB PRO A 91 11.596 -17.266 3.382 1.00 1.00 C ATOM 1350 CG PRO A 91 11.216 -18.442 4.206 1.00 1.00 C ATOM 1351 CD PRO A 91 9.843 -18.126 4.794 1.00 1.00 C ATOM 0 HA PRO A 91 10.316 -15.616 2.764 1.00 1.00 H new ATOM 0 HB2 PRO A 91 12.216 -17.556 2.533 1.00 1.00 H new ATOM 0 HB3 PRO A 91 12.167 -16.540 3.960 1.00 1.00 H new ATOM 0 HG2 PRO A 91 11.181 -19.347 3.599 1.00 1.00 H new ATOM 0 HG3 PRO A 91 11.947 -18.616 4.996 1.00 1.00 H new ATOM 0 HD2 PRO A 91 9.189 -18.998 4.761 1.00 1.00 H new ATOM 0 HD3 PRO A 91 9.921 -17.825 5.839 1.00 1.00 H new ATOM 1359 N GLU A 92 8.610 -17.876 1.597 1.00 1.00 N ATOM 1360 CA GLU A 92 8.092 -18.502 0.393 1.00 1.00 C ATOM 1361 C GLU A 92 7.123 -17.557 -0.322 1.00 1.00 C ATOM 1362 O GLU A 92 6.603 -17.885 -1.387 1.00 1.00 O ATOM 1363 CB GLU A 92 7.418 -19.837 0.715 1.00 1.00 C ATOM 1364 CG GLU A 92 8.127 -20.994 0.008 1.00 1.00 C ATOM 1365 CD GLU A 92 8.386 -22.151 0.975 1.00 1.00 C ATOM 1366 OE1 GLU A 92 7.556 -22.421 1.856 1.00 1.00 O ATOM 1367 OE2 GLU A 92 9.496 -22.781 0.787 1.00 1.00 O ATOM 0 H GLU A 92 7.981 -17.908 2.399 1.00 1.00 H new ATOM 0 HA GLU A 92 8.929 -18.707 -0.275 1.00 1.00 H new ATOM 0 HB2 GLU A 92 7.429 -20.003 1.792 1.00 1.00 H new ATOM 0 HB3 GLU A 92 6.373 -19.804 0.408 1.00 1.00 H new ATOM 0 HG2 GLU A 92 7.519 -21.342 -0.827 1.00 1.00 H new ATOM 0 HG3 GLU A 92 9.072 -20.646 -0.409 1.00 1.00 H new ATOM 1375 N LEU A 93 6.910 -16.403 0.293 1.00 1.00 N ATOM 1376 CA LEU A 93 6.013 -15.409 -0.271 1.00 1.00 C ATOM 1377 C LEU A 93 6.810 -14.151 -0.621 1.00 1.00 C ATOM 1378 O LEU A 93 6.245 -13.167 -1.097 1.00 1.00 O ATOM 1379 CB LEU A 93 4.838 -15.150 0.674 1.00 1.00 C ATOM 1380 CG LEU A 93 3.737 -16.213 0.683 1.00 1.00 C ATOM 1381 CD1 LEU A 93 2.549 -15.764 1.535 1.00 1.00 C ATOM 1382 CD2 LEU A 93 3.316 -16.576 -0.743 1.00 1.00 C ATOM 0 H LEU A 93 7.343 -16.134 1.176 1.00 1.00 H new ATOM 0 HA LEU A 93 5.571 -15.776 -1.198 1.00 1.00 H new ATOM 0 HB2 LEU A 93 5.228 -15.050 1.687 1.00 1.00 H new ATOM 0 HB3 LEU A 93 4.389 -14.193 0.410 1.00 1.00 H new ATOM 0 HG LEU A 93 4.137 -17.117 1.141 1.00 1.00 H new ATOM 0 HD11 LEU A 93 1.781 -16.537 1.525 1.00 1.00 H new ATOM 0 HD12 LEU A 93 2.880 -15.595 2.560 1.00 1.00 H new ATOM 0 HD13 LEU A 93 2.139 -14.840 1.129 1.00 1.00 H new ATOM 0 HD21 LEU A 93 2.533 -17.333 -0.709 1.00 1.00 H new ATOM 0 HD22 LEU A 93 2.940 -15.687 -1.249 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.175 -16.967 -1.288 1.00 1.00 H new ATOM 1394 N LYS A 94 8.109 -14.222 -0.371 1.00 1.00 N ATOM 1395 CA LYS A 94 8.988 -13.101 -0.654 1.00 1.00 C ATOM 1396 C LYS A 94 8.821 -12.684 -2.117 1.00 1.00 C ATOM 1397 O LYS A 94 8.944 -11.505 -2.448 1.00 1.00 O ATOM 1398 CB LYS A 94 10.431 -13.441 -0.273 1.00 1.00 C ATOM 1399 CG LYS A 94 11.421 -12.540 -1.013 1.00 1.00 C ATOM 1400 CD LYS A 94 12.193 -13.329 -2.073 1.00 1.00 C ATOM 1401 CE LYS A 94 13.511 -12.635 -2.421 1.00 1.00 C ATOM 1402 NZ LYS A 94 13.291 -11.586 -3.441 1.00 1.00 N ATOM 0 H LYS A 94 8.574 -15.039 0.025 1.00 1.00 H new ATOM 0 HA LYS A 94 8.716 -12.240 -0.043 1.00 1.00 H new ATOM 0 HB2 LYS A 94 10.563 -13.326 0.803 1.00 1.00 H new ATOM 0 HB3 LYS A 94 10.637 -14.485 -0.510 1.00 1.00 H new ATOM 0 HG2 LYS A 94 10.886 -11.716 -1.486 1.00 1.00 H new ATOM 0 HG3 LYS A 94 12.120 -12.100 -0.302 1.00 1.00 H new ATOM 0 HD2 LYS A 94 12.394 -14.336 -1.707 1.00 1.00 H new ATOM 0 HD3 LYS A 94 11.584 -13.431 -2.971 1.00 1.00 H new ATOM 0 HE2 LYS A 94 13.944 -12.193 -1.524 1.00 1.00 H new ATOM 0 HE3 LYS A 94 14.227 -13.368 -2.793 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 14.196 -11.125 -3.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 12.898 -12.016 -4.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 12.624 -10.878 -3.073 1.00 1.00 H new ATOM 1415 N LYS A 95 8.544 -13.673 -2.953 1.00 1.00 N ATOM 1416 CA LYS A 95 8.358 -13.424 -4.372 1.00 1.00 C ATOM 1417 C LYS A 95 6.884 -13.116 -4.644 1.00 1.00 C ATOM 1418 O LYS A 95 6.434 -13.177 -5.787 1.00 1.00 O ATOM 1419 CB LYS A 95 8.905 -14.591 -5.197 1.00 1.00 C ATOM 1420 CG LYS A 95 7.963 -15.795 -5.135 1.00 1.00 C ATOM 1421 CD LYS A 95 6.880 -15.700 -6.212 1.00 1.00 C ATOM 1422 CE LYS A 95 6.628 -17.064 -6.857 1.00 1.00 C ATOM 1423 NZ LYS A 95 5.713 -16.930 -8.012 1.00 1.00 N ATOM 0 H LYS A 95 8.444 -14.649 -2.675 1.00 1.00 H new ATOM 0 HA LYS A 95 8.929 -12.549 -4.683 1.00 1.00 H new ATOM 0 HB2 LYS A 95 9.035 -14.279 -6.233 1.00 1.00 H new ATOM 0 HB3 LYS A 95 9.889 -14.875 -4.824 1.00 1.00 H new ATOM 0 HG2 LYS A 95 8.533 -16.715 -5.268 1.00 1.00 H new ATOM 0 HG3 LYS A 95 7.498 -15.847 -4.150 1.00 1.00 H new ATOM 0 HD2 LYS A 95 5.956 -15.326 -5.772 1.00 1.00 H new ATOM 0 HD3 LYS A 95 7.183 -14.983 -6.975 1.00 1.00 H new ATOM 0 HE2 LYS A 95 7.573 -17.499 -7.183 1.00 1.00 H new ATOM 0 HE3 LYS A 95 6.199 -17.746 -6.123 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 5.553 -17.865 -8.438 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 4.806 -16.535 -7.692 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 6.137 -16.296 -8.719 1.00 1.00 H new ATOM 1436 N ASP A 96 6.174 -12.793 -3.573 1.00 1.00 N ATOM 1437 CA ASP A 96 4.760 -12.476 -3.681 1.00 1.00 C ATOM 1438 C ASP A 96 4.474 -11.176 -2.927 1.00 1.00 C ATOM 1439 O ASP A 96 3.754 -10.311 -3.424 1.00 1.00 O ATOM 1440 CB ASP A 96 3.899 -13.580 -3.065 1.00 1.00 C ATOM 1441 CG ASP A 96 3.936 -14.918 -3.804 1.00 1.00 C ATOM 1442 OD1 ASP A 96 4.782 -15.781 -3.522 1.00 1.00 O ATOM 1443 OD2 ASP A 96 3.037 -15.061 -4.718 1.00 1.00 O ATOM 0 H ASP A 96 6.551 -12.744 -2.627 1.00 1.00 H new ATOM 0 HA ASP A 96 4.517 -12.378 -4.739 1.00 1.00 H new ATOM 0 HB2 ASP A 96 4.223 -13.741 -2.037 1.00 1.00 H new ATOM 0 HB3 ASP A 96 2.866 -13.234 -3.023 1.00 1.00 H new ATOM 1449 N LEU A 97 5.052 -11.079 -1.739 1.00 1.00 N ATOM 1450 CA LEU A 97 4.869 -9.900 -0.910 1.00 1.00 C ATOM 1451 C LEU A 97 6.159 -9.077 -0.909 1.00 1.00 C ATOM 1452 O LEU A 97 6.655 -8.696 0.150 1.00 1.00 O ATOM 1453 CB LEU A 97 4.390 -10.296 0.488 1.00 1.00 C ATOM 1454 CG LEU A 97 2.996 -10.921 0.567 1.00 1.00 C ATOM 1455 CD1 LEU A 97 1.985 -9.934 1.154 1.00 1.00 C ATOM 1456 CD2 LEU A 97 2.554 -11.451 -0.798 1.00 1.00 C ATOM 0 H LEU A 97 5.648 -11.799 -1.330 1.00 1.00 H new ATOM 0 HA LEU A 97 4.085 -9.264 -1.321 1.00 1.00 H new ATOM 0 HB2 LEU A 97 5.107 -11.000 0.910 1.00 1.00 H new ATOM 0 HB3 LEU A 97 4.405 -9.408 1.121 1.00 1.00 H new ATOM 0 HG LEU A 97 3.042 -11.774 1.243 1.00 1.00 H new ATOM 0 HD11 LEU A 97 1.002 -10.403 1.199 1.00 1.00 H new ATOM 0 HD12 LEU A 97 2.297 -9.648 2.158 1.00 1.00 H new ATOM 0 HD13 LEU A 97 1.935 -9.047 0.523 1.00 1.00 H new ATOM 0 HD21 LEU A 97 1.560 -11.890 -0.713 1.00 1.00 H new ATOM 0 HD22 LEU A 97 2.529 -10.631 -1.516 1.00 1.00 H new ATOM 0 HD23 LEU A 97 3.258 -12.210 -1.139 1.00 1.00 H new ATOM 1468 N THR A 98 6.665 -8.828 -2.107 1.00 1.00 N ATOM 1469 CA THR A 98 7.888 -8.057 -2.257 1.00 1.00 C ATOM 1470 C THR A 98 8.458 -8.230 -3.667 1.00 1.00 C ATOM 1471 O THR A 98 9.122 -7.334 -4.186 1.00 1.00 O ATOM 1472 CB THR A 98 8.856 -8.488 -1.154 1.00 1.00 C ATOM 1473 OG1 THR A 98 8.707 -7.487 -0.151 1.00 1.00 O ATOM 1474 CG2 THR A 98 10.321 -8.370 -1.581 1.00 1.00 C ATOM 0 H THR A 98 6.251 -9.146 -2.983 1.00 1.00 H new ATOM 0 HA THR A 98 7.699 -6.989 -2.145 1.00 1.00 H new ATOM 0 HB THR A 98 8.643 -9.518 -0.867 1.00 1.00 H new ATOM 0 HG1 THR A 98 7.918 -7.686 0.395 1.00 1.00 H new ATOM 0 HG21 THR A 98 10.966 -8.688 -0.762 1.00 1.00 H new ATOM 0 HG22 THR A 98 10.499 -9.004 -2.450 1.00 1.00 H new ATOM 0 HG23 THR A 98 10.543 -7.334 -1.836 1.00 1.00 H new ATOM 1482 N GLY A 99 8.177 -9.388 -4.246 1.00 1.00 N ATOM 1483 CA GLY A 99 8.653 -9.690 -5.585 1.00 1.00 C ATOM 1484 C GLY A 99 8.346 -8.541 -6.548 1.00 1.00 C ATOM 1485 O GLY A 99 7.217 -8.056 -6.601 1.00 1.00 O ATOM 0 H GLY A 99 7.626 -10.128 -3.812 1.00 1.00 H new ATOM 0 HA2 GLY A 99 9.727 -9.872 -5.561 1.00 1.00 H new ATOM 0 HA3 GLY A 99 8.183 -10.606 -5.944 1.00 1.00 H new ATOM 1489 N CYS A 100 9.371 -8.139 -7.285 1.00 1.00 N ATOM 1490 CA CYS A 100 9.225 -7.057 -8.243 1.00 1.00 C ATOM 1491 C CYS A 100 8.537 -7.610 -9.493 1.00 1.00 C ATOM 1492 O CYS A 100 7.575 -7.025 -9.987 1.00 1.00 O ATOM 1493 CB CYS A 100 10.571 -6.408 -8.573 1.00 1.00 C ATOM 1494 SG CYS A 100 11.498 -5.785 -7.124 1.00 1.00 S ATOM 0 H CYS A 100 10.306 -8.544 -7.238 1.00 1.00 H new ATOM 0 HA CYS A 100 8.611 -6.267 -7.811 1.00 1.00 H new ATOM 0 HB2 CYS A 100 11.190 -7.136 -9.097 1.00 1.00 H new ATOM 0 HB3 CYS A 100 10.400 -5.580 -9.261 1.00 1.00 H new ATOM 1499 N ALA A 101 9.057 -8.733 -9.967 1.00 1.00 N ATOM 1500 CA ALA A 101 8.505 -9.372 -11.150 1.00 1.00 C ATOM 1501 C ALA A 101 7.830 -10.685 -10.746 1.00 1.00 C ATOM 1502 O ALA A 101 8.420 -11.497 -10.034 1.00 1.00 O ATOM 1503 CB ALA A 101 9.614 -9.580 -12.183 1.00 1.00 C ATOM 0 H ALA A 101 9.854 -9.217 -9.554 1.00 1.00 H new ATOM 0 HA ALA A 101 7.746 -8.739 -11.610 1.00 1.00 H new ATOM 0 HB1 ALA A 101 9.200 -10.059 -13.070 1.00 1.00 H new ATOM 0 HB2 ALA A 101 10.041 -8.615 -12.458 1.00 1.00 H new ATOM 0 HB3 ALA A 101 10.393 -10.214 -11.758 1.00 1.00 H new ATOM 1509 N LYS A 102 6.604 -10.852 -11.219 1.00 1.00 N ATOM 1510 CA LYS A 102 5.843 -12.053 -10.916 1.00 1.00 C ATOM 1511 C LYS A 102 5.489 -12.065 -9.428 1.00 1.00 C ATOM 1512 O LYS A 102 5.801 -13.021 -8.720 1.00 1.00 O ATOM 1513 CB LYS A 102 6.601 -13.299 -11.378 1.00 1.00 C ATOM 1514 CG LYS A 102 6.731 -13.327 -12.903 1.00 1.00 C ATOM 1515 CD LYS A 102 7.386 -14.627 -13.373 1.00 1.00 C ATOM 1516 CE LYS A 102 8.605 -14.340 -14.252 1.00 1.00 C ATOM 1517 NZ LYS A 102 9.850 -14.745 -13.562 1.00 1.00 N ATOM 0 H LYS A 102 6.119 -10.177 -11.809 1.00 1.00 H new ATOM 0 HA LYS A 102 4.903 -12.058 -11.468 1.00 1.00 H new ATOM 0 HB2 LYS A 102 7.592 -13.315 -10.924 1.00 1.00 H new ATOM 0 HB3 LYS A 102 6.080 -14.194 -11.037 1.00 1.00 H new ATOM 0 HG2 LYS A 102 5.745 -13.227 -13.358 1.00 1.00 H new ATOM 0 HG3 LYS A 102 7.324 -12.475 -13.237 1.00 1.00 H new ATOM 0 HD2 LYS A 102 7.687 -15.220 -12.509 1.00 1.00 H new ATOM 0 HD3 LYS A 102 6.663 -15.222 -13.931 1.00 1.00 H new ATOM 0 HE2 LYS A 102 8.514 -14.877 -15.196 1.00 1.00 H new ATOM 0 HE3 LYS A 102 8.645 -13.278 -14.493 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 10.667 -14.543 -14.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 9.943 -14.214 -12.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 9.816 -15.764 -13.355 1.00 1.00 H new ATOM 1530 N SER A 103 4.842 -10.992 -8.997 1.00 1.00 N ATOM 1531 CA SER A 103 4.442 -10.868 -7.605 1.00 1.00 C ATOM 1532 C SER A 103 2.933 -10.634 -7.514 1.00 1.00 C ATOM 1533 O SER A 103 2.289 -10.315 -8.512 1.00 1.00 O ATOM 1534 CB SER A 103 5.198 -9.731 -6.915 1.00 1.00 C ATOM 1535 OG SER A 103 5.108 -8.510 -7.643 1.00 1.00 O ATOM 0 H SER A 103 4.585 -10.201 -9.587 1.00 1.00 H new ATOM 0 HA SER A 103 4.691 -11.797 -7.093 1.00 1.00 H new ATOM 0 HB2 SER A 103 4.797 -9.585 -5.912 1.00 1.00 H new ATOM 0 HB3 SER A 103 6.246 -10.009 -6.802 1.00 1.00 H new ATOM 0 HG SER A 103 5.735 -7.858 -7.267 1.00 1.00 H new ATOM 1541 N LYS A 104 2.413 -10.801 -6.306 1.00 1.00 N ATOM 1542 CA LYS A 104 0.991 -10.612 -6.071 1.00 1.00 C ATOM 1543 C LYS A 104 0.598 -9.189 -6.471 1.00 1.00 C ATOM 1544 O LYS A 104 -0.581 -8.901 -6.674 1.00 1.00 O ATOM 1545 CB LYS A 104 0.636 -10.966 -4.626 1.00 1.00 C ATOM 1546 CG LYS A 104 0.649 -12.481 -4.413 1.00 1.00 C ATOM 1547 CD LYS A 104 -0.483 -13.154 -5.191 1.00 1.00 C ATOM 1548 CE LYS A 104 0.065 -13.948 -6.379 1.00 1.00 C ATOM 1549 NZ LYS A 104 -1.000 -14.783 -6.979 1.00 1.00 N ATOM 0 H LYS A 104 2.951 -11.065 -5.480 1.00 1.00 H new ATOM 0 HA LYS A 104 0.407 -11.291 -6.693 1.00 1.00 H new ATOM 0 HB2 LYS A 104 1.346 -10.494 -3.947 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -0.350 -10.569 -4.382 1.00 1.00 H new ATOM 0 HG2 LYS A 104 1.608 -12.889 -4.734 1.00 1.00 H new ATOM 0 HG3 LYS A 104 0.547 -12.703 -3.351 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -1.038 -13.819 -4.530 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -1.184 -12.399 -5.546 1.00 1.00 H new ATOM 0 HE2 LYS A 104 0.465 -13.264 -7.128 1.00 1.00 H new ATOM 0 HE3 LYS A 104 0.890 -14.580 -6.052 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -0.612 -15.315 -7.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -1.363 -15.448 -6.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -1.775 -14.173 -7.309 1.00 1.00 H new ATOM 1562 N CYS A 105 1.607 -8.336 -6.572 1.00 1.00 N ATOM 1563 CA CYS A 105 1.381 -6.950 -6.943 1.00 1.00 C ATOM 1564 C CYS A 105 1.653 -6.803 -8.441 1.00 1.00 C ATOM 1565 O CYS A 105 0.742 -6.553 -9.227 1.00 1.00 O ATOM 1566 CB CYS A 105 2.238 -5.994 -6.111 1.00 1.00 C ATOM 1567 SG CYS A 105 1.190 -5.106 -4.901 1.00 1.00 S ATOM 0 H CYS A 105 2.583 -8.578 -6.403 1.00 1.00 H new ATOM 0 HA CYS A 105 0.346 -6.680 -6.734 1.00 1.00 H new ATOM 0 HB2 CYS A 105 3.017 -6.551 -5.590 1.00 1.00 H new ATOM 0 HB3 CYS A 105 2.739 -5.279 -6.764 1.00 1.00 H new ATOM 1572 N HIS A 106 2.927 -6.966 -8.801 1.00 1.00 N ATOM 1573 CA HIS A 106 3.379 -6.864 -10.184 1.00 1.00 C ATOM 1574 C HIS A 106 3.380 -8.259 -10.836 1.00 1.00 C ATOM 1575 O HIS A 106 4.187 -9.125 -10.507 1.00 1.00 O ATOM 1576 CB HIS A 106 4.740 -6.153 -10.211 1.00 1.00 C ATOM 1577 CG HIS A 106 4.774 -4.732 -9.698 1.00 1.00 C ATOM 1578 ND1 HIS A 106 4.095 -3.739 -10.282 1.00 1.00 N ATOM 1579 CD2 HIS A 106 5.432 -4.168 -8.631 1.00 1.00 C ATOM 1580 CE1 HIS A 106 4.321 -2.602 -9.605 1.00 1.00 C ATOM 1581 NE2 HIS A 106 5.141 -2.811 -8.576 1.00 1.00 N ATOM 0 H HIS A 106 3.674 -7.173 -8.138 1.00 1.00 H new ATOM 0 HA HIS A 106 2.698 -6.259 -10.783 1.00 1.00 H new ATOM 0 HB2 HIS A 106 5.444 -6.743 -9.624 1.00 1.00 H new ATOM 0 HB3 HIS A 106 5.103 -6.152 -11.239 1.00 1.00 H new ATOM 0 HD1 HIS A 106 3.502 -3.831 -11.107 1.00 1.00 H new ATOM 0 HD2 HIS A 106 6.075 -4.697 -7.943 1.00 1.00 H new ATOM 0 HE1 HIS A 106 3.894 -1.644 -9.861 1.00 1.00 H new ATOM 1589 N PRO A 107 2.450 -8.452 -11.774 1.00 1.00 N ATOM 1590 CA PRO A 107 2.279 -9.685 -12.511 1.00 1.00 C ATOM 1591 C PRO A 107 3.600 -10.084 -13.153 1.00 1.00 C ATOM 1592 O PRO A 107 3.899 -11.270 -13.277 1.00 1.00 O ATOM 1593 CB PRO A 107 1.229 -9.364 -13.573 1.00 1.00 C ATOM 1594 CG PRO A 107 0.477 -8.213 -13.046 1.00 1.00 C ATOM 1595 CD PRO A 107 1.485 -7.455 -12.185 1.00 1.00 C ATOM 0 HA PRO A 107 1.968 -10.517 -11.879 1.00 1.00 H new ATOM 0 HB2 PRO A 107 1.697 -9.123 -14.528 1.00 1.00 H new ATOM 0 HB3 PRO A 107 0.572 -10.216 -13.746 1.00 1.00 H new ATOM 0 HG2 PRO A 107 0.094 -7.587 -13.852 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -0.382 -8.536 -12.458 1.00 1.00 H new ATOM 0 HD2 PRO A 107 1.962 -6.653 -12.749 1.00 1.00 H new ATOM 0 HD3 PRO A 107 1.001 -6.995 -11.323 1.00 1.00 H new TER 1603 PRO A 107 HETATM 1604 CHA HEM A 233 -9.076 2.242 -0.113 1.00 1.00 C HETATM 1605 CHB HEM A 233 -11.962 1.462 3.733 1.00 1.00 C HETATM 1606 CHC HEM A 233 -8.338 -0.867 6.005 1.00 1.00 C HETATM 1607 CHD HEM A 233 -5.429 -0.105 2.105 1.00 1.00 C HETATM 1608 C1A HEM A 233 -10.181 2.195 0.732 1.00 1.00 C HETATM 1609 C2A HEM A 233 -11.493 2.683 0.379 1.00 1.00 C HETATM 1610 C3A HEM A 233 -12.295 2.469 1.443 1.00 1.00 C HETATM 1611 C4A HEM A 233 -11.488 1.845 2.465 1.00 1.00 C HETATM 1612 CMA HEM A 233 -13.753 2.798 1.582 1.00 1.00 C HETATM 1613 CAA HEM A 233 -11.852 3.307 -0.938 1.00 1.00 C HETATM 1614 CBA HEM A 233 -11.821 4.832 -0.932 1.00 1.00 C HETATM 1615 CGA HEM A 233 -12.565 5.400 -2.132 1.00 1.00 C HETATM 1616 O1A HEM A 233 -13.813 5.339 -2.107 1.00 1.00 O HETATM 1617 O2A HEM A 233 -11.871 5.885 -3.052 1.00 1.00 O HETATM 1618 C1B HEM A 233 -11.197 0.818 4.699 1.00 1.00 C HETATM 1619 C2B HEM A 233 -11.631 0.586 6.057 1.00 1.00 C HETATM 1620 C3B HEM A 233 -10.628 -0.059 6.689 1.00 1.00 C HETATM 1621 C4B HEM A 233 -9.564 -0.234 5.730 1.00 1.00 C HETATM 1622 CMB HEM A 233 -12.960 1.004 6.617 1.00 1.00 C HETATM 1623 CAB HEM A 233 -10.584 -0.526 8.116 1.00 1.00 C HETATM 1624 CBB HEM A 233 -11.853 -1.239 8.575 1.00 1.00 C HETATM 1625 C1C HEM A 233 -7.170 -0.832 5.131 1.00 1.00 C HETATM 1626 C2C HEM A 233 -5.849 -1.306 5.472 1.00 1.00 C HETATM 1627 C3C HEM A 233 -5.061 -1.092 4.398 1.00 1.00 C HETATM 1628 C4C HEM A 233 -5.885 -0.483 3.381 1.00 1.00 C HETATM 1629 CMC HEM A 233 -5.470 -1.916 6.790 1.00 1.00 C HETATM 1630 CAC HEM A 233 -3.602 -1.409 4.244 1.00 1.00 C HETATM 1631 CBC HEM A 233 -3.252 -2.869 4.517 1.00 1.00 C HETATM 1632 C1D HEM A 233 -6.204 0.547 1.151 1.00 1.00 C HETATM 1633 C2D HEM A 233 -5.784 0.788 -0.209 1.00 1.00 C HETATM 1634 C3D HEM A 233 -6.793 1.439 -0.827 1.00 1.00 C HETATM 1635 C4D HEM A 233 -7.848 1.606 0.145 1.00 1.00 C HETATM 1636 CMD HEM A 233 -4.462 0.374 -0.786 1.00 1.00 C HETATM 1637 CAD HEM A 233 -6.852 1.915 -2.249 1.00 1.00 C HETATM 1638 CBD HEM A 233 -5.964 3.122 -2.536 1.00 1.00 C HETATM 1639 CGD HEM A 233 -4.986 2.827 -3.665 1.00 1.00 C HETATM 1640 O1D HEM A 233 -5.109 3.499 -4.712 1.00 1.00 O HETATM 1641 O2D HEM A 233 -4.135 1.935 -3.460 1.00 1.00 O HETATM 1642 NA HEM A 233 -10.189 1.682 2.017 1.00 1.00 N HETATM 1643 NB HEM A 233 -9.924 0.309 4.509 1.00 1.00 N HETATM 1644 NC HEM A 233 -7.181 -0.328 3.842 1.00 1.00 N HETATM 1645 ND HEM A 233 -7.475 1.054 1.358 1.00 1.00 N HETATM 1646 FE HEM A 233 -8.718 0.688 3.049 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 -14.225 2.082 2.255 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 -14.232 2.747 0.604 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 -13.862 3.804 1.988 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 -13.304 1.903 6.106 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 -12.857 1.209 7.683 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 -13.685 0.203 6.470 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -4.663 -2.633 6.640 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -6.334 -2.425 7.217 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -5.137 -1.133 7.471 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 -4.576 0.176 -1.852 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 -4.113 -0.529 -0.285 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 -3.735 1.173 -0.641 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -11.927 -1.619 9.594 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -12.686 -1.369 7.884 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -2.219 -3.207 4.433 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -4.035 -3.574 4.796 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 -10.787 5.178 -0.944 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 -12.271 5.204 -0.012 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 -12.850 2.975 -1.225 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 -11.163 2.943 -1.700 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 -5.413 3.395 -1.636 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 -6.584 3.978 -2.802 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 -7.883 2.169 -2.494 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 -6.560 1.097 -2.908 1.00 1.00 H new HETATM 0 HHA HEM A 233 -9.168 2.805 -1.030 1.00 1.00 H new HETATM 0 HHB HEM A 233 -12.991 1.684 3.973 1.00 1.00 H new HETATM 0 HHC HEM A 233 -8.255 -1.419 6.930 1.00 1.00 H new HETATM 0 HHD HEM A 233 -4.406 -0.337 1.848 1.00 1.00 H new HETATM 0 HAB HEM A 233 -9.723 -0.370 8.766 1.00 1.00 H new HETATM 0 HAC HEM A 233 -2.859 -0.663 3.962 1.00 1.00 H new HETATM 1647 CHA HEM A 251 2.870 10.156 4.756 1.00 1.00 C HETATM 1648 CHB HEM A 251 0.790 5.919 3.552 1.00 1.00 C HETATM 1649 CHC HEM A 251 -3.295 8.272 2.329 1.00 1.00 C HETATM 1650 CHD HEM A 251 -1.122 12.539 3.303 1.00 1.00 C HETATM 1651 C1A HEM A 251 2.649 8.801 4.530 1.00 1.00 C HETATM 1652 C2A HEM A 251 3.630 7.768 4.767 1.00 1.00 C HETATM 1653 C3A HEM A 251 3.057 6.593 4.435 1.00 1.00 C HETATM 1654 C4A HEM A 251 1.715 6.886 3.988 1.00 1.00 C HETATM 1655 CMA HEM A 251 3.659 5.219 4.500 1.00 1.00 C HETATM 1656 CAA HEM A 251 5.018 8.005 5.288 1.00 1.00 C HETATM 1657 CBA HEM A 251 5.953 8.671 4.283 1.00 1.00 C HETATM 1658 CGA HEM A 251 5.813 8.042 2.904 1.00 1.00 C HETATM 1659 O1A HEM A 251 5.724 6.796 2.855 1.00 1.00 O HETATM 1660 O2A HEM A 251 5.797 8.819 1.925 1.00 1.00 O HETATM 1661 C1B HEM A 251 -0.500 6.202 3.118 1.00 1.00 C HETATM 1662 C2B HEM A 251 -1.445 5.203 2.675 1.00 1.00 C HETATM 1663 C3B HEM A 251 -2.579 5.852 2.336 1.00 1.00 C HETATM 1664 C4B HEM A 251 -2.347 7.259 2.564 1.00 1.00 C HETATM 1665 CMB HEM A 251 -1.173 3.728 2.621 1.00 1.00 C HETATM 1666 CAB HEM A 251 -3.858 5.266 1.815 1.00 1.00 C HETATM 1667 CBB HEM A 251 -4.396 4.108 2.651 1.00 1.00 C HETATM 1668 C1C HEM A 251 -3.073 9.651 2.545 1.00 1.00 C HETATM 1669 C2C HEM A 251 -4.008 10.695 2.195 1.00 1.00 C HETATM 1670 C3C HEM A 251 -3.396 11.873 2.435 1.00 1.00 C HETATM 1671 C4C HEM A 251 -2.075 11.572 2.935 1.00 1.00 C HETATM 1672 CMC HEM A 251 -5.394 10.464 1.667 1.00 1.00 C HETATM 1673 CAC HEM A 251 -3.943 13.257 2.234 1.00 1.00 C HETATM 1674 CBC HEM A 251 -5.298 13.490 2.897 1.00 1.00 C HETATM 1675 C1D HEM A 251 0.155 12.248 3.772 1.00 1.00 C HETATM 1676 C2D HEM A 251 1.130 13.247 4.142 1.00 1.00 C HETATM 1677 C3D HEM A 251 2.238 12.590 4.545 1.00 1.00 C HETATM 1678 C4D HEM A 251 1.960 11.178 4.429 1.00 1.00 C HETATM 1679 CMD HEM A 251 0.909 14.730 4.075 1.00 1.00 C HETATM 1680 CAD HEM A 251 3.534 13.173 5.030 1.00 1.00 C HETATM 1681 CBD HEM A 251 3.539 13.524 6.515 1.00 1.00 C HETATM 1682 CGD HEM A 251 3.514 15.031 6.722 1.00 1.00 C HETATM 1683 O1D HEM A 251 2.396 15.590 6.696 1.00 1.00 O HETATM 1684 O2D HEM A 251 4.614 15.598 6.902 1.00 1.00 O HETATM 1685 NA HEM A 251 1.475 8.247 4.050 1.00 1.00 N HETATM 1686 NB HEM A 251 -1.066 7.463 3.045 1.00 1.00 N HETATM 1687 NC HEM A 251 -1.887 10.202 2.999 1.00 1.00 N HETATM 1688 ND HEM A 251 0.676 10.979 3.953 1.00 1.00 N HETATM 1689 FE HEM A 251 -0.213 9.207 3.447 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.874 4.486 4.688 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 4.392 5.181 5.306 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 4.149 4.991 3.553 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 -0.112 3.560 2.437 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 -1.756 3.280 1.816 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 -1.454 3.271 3.570 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 -5.418 9.531 1.104 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 -5.677 11.290 1.014 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 -6.095 10.403 2.499 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 0.209 14.958 3.271 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 1.858 15.231 3.883 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 0.500 15.080 5.023 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 -5.321 3.610 2.361 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 -3.855 3.779 3.539 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 -5.786 14.461 2.813 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 -5.778 12.685 3.454 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.984 8.580 4.625 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 5.730 9.736 4.225 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 5.449 7.051 5.592 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 4.958 8.627 6.181 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 4.426 13.104 6.988 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 2.674 13.073 7.001 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 3.755 14.072 4.454 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 4.337 12.463 4.832 1.00 1.00 H new HETATM 0 HHA HEM A 251 3.805 10.443 5.214 1.00 1.00 H new HETATM 0 HHB HEM A 251 1.104 4.886 3.555 1.00 1.00 H new HETATM 0 HHC HEM A 251 -4.264 7.974 1.956 1.00 1.00 H new HETATM 0 HHD HEM A 251 -1.401 13.579 3.215 1.00 1.00 H new HETATM 0 HAB HEM A 251 -4.358 5.634 0.919 1.00 1.00 H new HETATM 0 HAC HEM A 251 -3.420 14.026 1.666 1.00 1.00 H new HETATM 1690 CHA HEM A 282 -0.831 -9.700 1.324 1.00 1.00 C HETATM 1691 CHB HEM A 282 -0.765 -5.470 -1.090 1.00 1.00 C HETATM 1692 CHC HEM A 282 0.069 -3.099 3.082 1.00 1.00 C HETATM 1693 CHD HEM A 282 0.319 -7.383 5.451 1.00 1.00 C HETATM 1694 C1A HEM A 282 -0.903 -8.745 0.315 1.00 1.00 C HETATM 1695 C2A HEM A 282 -1.200 -9.043 -1.066 1.00 1.00 C HETATM 1696 C3A HEM A 282 -1.183 -7.873 -1.738 1.00 1.00 C HETATM 1697 C4A HEM A 282 -0.874 -6.838 -0.779 1.00 1.00 C HETATM 1698 CMA HEM A 282 -1.430 -7.643 -3.200 1.00 1.00 C HETATM 1699 CAA HEM A 282 -1.472 -10.416 -1.608 1.00 1.00 C HETATM 1700 CBA HEM A 282 -2.829 -10.557 -2.291 1.00 1.00 C HETATM 1701 CGA HEM A 282 -2.684 -11.164 -3.679 1.00 1.00 C HETATM 1702 O1A HEM A 282 -2.745 -12.410 -3.762 1.00 1.00 O HETATM 1703 O2A HEM A 282 -2.516 -10.371 -4.630 1.00 1.00 O HETATM 1704 C1B HEM A 282 -0.538 -4.464 -0.156 1.00 1.00 C HETATM 1705 C2B HEM A 282 -0.469 -3.058 -0.477 1.00 1.00 C HETATM 1706 C3B HEM A 282 -0.238 -2.398 0.677 1.00 1.00 C HETATM 1707 C4B HEM A 282 -0.162 -3.389 1.725 1.00 1.00 C HETATM 1708 CMB HEM A 282 -0.631 -2.483 -1.854 1.00 1.00 C HETATM 1709 CAB HEM A 282 -0.083 -0.919 0.881 1.00 1.00 C HETATM 1710 CBB HEM A 282 -1.001 -0.072 0.004 1.00 1.00 C HETATM 1711 C1C HEM A 282 0.434 -4.094 4.079 1.00 1.00 C HETATM 1712 C2C HEM A 282 0.743 -3.809 5.461 1.00 1.00 C HETATM 1713 C3C HEM A 282 0.736 -4.986 6.120 1.00 1.00 C HETATM 1714 C4C HEM A 282 0.422 -6.012 5.154 1.00 1.00 C HETATM 1715 CMC HEM A 282 1.016 -2.440 6.015 1.00 1.00 C HETATM 1716 CAC HEM A 282 0.998 -5.230 7.578 1.00 1.00 C HETATM 1717 CBC HEM A 282 0.647 -4.049 8.478 1.00 1.00 C HETATM 1718 C1D HEM A 282 -0.061 -8.362 4.539 1.00 1.00 C HETATM 1719 C2D HEM A 282 -0.384 -9.723 4.896 1.00 1.00 C HETATM 1720 C3D HEM A 282 -0.703 -10.368 3.754 1.00 1.00 C HETATM 1721 C4D HEM A 282 -0.581 -9.412 2.678 1.00 1.00 C HETATM 1722 CMD HEM A 282 -0.356 -10.274 6.292 1.00 1.00 C HETATM 1723 CAD HEM A 282 -1.113 -11.802 3.586 1.00 1.00 C HETATM 1724 CBD HEM A 282 -2.614 -12.002 3.403 1.00 1.00 C HETATM 1725 CGD HEM A 282 -3.196 -12.847 4.527 1.00 1.00 C HETATM 1726 O1D HEM A 282 -2.611 -13.920 4.791 1.00 1.00 O HETATM 1727 O2D HEM A 282 -4.214 -12.405 5.102 1.00 1.00 O HETATM 1728 NA HEM A 282 -0.705 -7.385 0.481 1.00 1.00 N HETATM 1729 NB HEM A 282 -0.347 -4.657 1.201 1.00 1.00 N HETATM 1730 NC HEM A 282 0.238 -5.452 3.902 1.00 1.00 N HETATM 1731 ND HEM A 282 -0.186 -8.181 3.172 1.00 1.00 N HETATM 1732 FE HEM A 282 -0.192 -6.368 2.318 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -1.119 -8.522 -3.764 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -0.859 -6.777 -3.534 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -2.492 -7.463 -3.366 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -0.283 -3.205 -2.593 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.045 -1.568 -1.937 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -1.682 -2.259 -2.033 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 1.463 -1.817 5.241 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 1.702 -2.519 6.858 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 0.081 -1.989 6.349 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -1.096 -11.069 6.384 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -0.587 -9.479 7.001 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 0.635 -10.674 6.506 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 -0.969 1.015 0.073 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 -1.688 -0.554 -0.691 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 0.799 -4.121 9.555 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 0.245 -3.134 8.044 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -3.305 -9.579 -2.366 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -3.482 -11.183 -1.683 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -1.411 -11.136 -0.792 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -0.689 -10.675 -2.321 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -2.805 -12.485 2.445 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -3.112 -11.033 3.377 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -0.785 -12.367 4.459 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -0.594 -12.219 2.723 1.00 1.00 H new HETATM 0 HHA HEM A 282 -0.977 -10.734 1.049 1.00 1.00 H new HETATM 0 HHB HEM A 282 -0.864 -5.181 -2.126 1.00 1.00 H new HETATM 0 HHC HEM A 282 -0.031 -2.073 3.404 1.00 1.00 H new HETATM 0 HHD HEM A 282 0.551 -7.698 6.458 1.00 1.00 H new HETATM 0 HAB HEM A 282 0.622 -0.488 1.592 1.00 1.00 H new HETATM 0 HAC HEM A 282 1.403 -6.167 7.960 1.00 1.00 H new HETATM 1733 CHA HEM A 305 4.345 1.002 -9.092 1.00 1.00 C HETATM 1734 CHB HEM A 305 8.744 -1.088 -9.042 1.00 1.00 C HETATM 1735 CHC HEM A 305 7.262 -4.130 -5.539 1.00 1.00 C HETATM 1736 CHD HEM A 305 2.900 -1.931 -5.482 1.00 1.00 C HETATM 1737 C1A HEM A 305 5.667 0.682 -9.383 1.00 1.00 C HETATM 1738 C2A HEM A 305 6.457 1.338 -10.399 1.00 1.00 C HETATM 1739 C3A HEM A 305 7.677 0.761 -10.387 1.00 1.00 C HETATM 1740 C4A HEM A 305 7.655 -0.258 -9.365 1.00 1.00 C HETATM 1741 CMA HEM A 305 8.860 1.084 -11.253 1.00 1.00 C HETATM 1742 CAA HEM A 305 5.969 2.451 -11.280 1.00 1.00 C HETATM 1743 CBA HEM A 305 6.470 3.833 -10.869 1.00 1.00 C HETATM 1744 CGA HEM A 305 7.233 4.498 -12.005 1.00 1.00 C HETATM 1745 O1A HEM A 305 6.592 4.750 -13.048 1.00 1.00 O HETATM 1746 O2A HEM A 305 8.443 4.744 -11.809 1.00 1.00 O HETATM 1747 C1B HEM A 305 8.719 -2.080 -8.067 1.00 1.00 C HETATM 1748 C2B HEM A 305 9.859 -2.885 -7.698 1.00 1.00 C HETATM 1749 C3B HEM A 305 9.452 -3.729 -6.727 1.00 1.00 C HETATM 1750 C4B HEM A 305 8.054 -3.455 -6.485 1.00 1.00 C HETATM 1751 CMB HEM A 305 11.226 -2.769 -8.308 1.00 1.00 C HETATM 1752 CAB HEM A 305 10.260 -4.769 -6.008 1.00 1.00 C HETATM 1753 CBB HEM A 305 11.200 -4.202 -4.948 1.00 1.00 C HETATM 1754 C1C HEM A 305 5.845 -3.934 -5.303 1.00 1.00 C HETATM 1755 C2C HEM A 305 4.941 -4.732 -4.510 1.00 1.00 C HETATM 1756 C3C HEM A 305 3.757 -4.085 -4.486 1.00 1.00 C HETATM 1757 C4C HEM A 305 3.916 -2.880 -5.265 1.00 1.00 C HETATM 1758 CMC HEM A 305 5.297 -6.034 -3.852 1.00 1.00 C HETATM 1759 CAC HEM A 305 2.490 -4.501 -3.796 1.00 1.00 C HETATM 1760 CBC HEM A 305 2.676 -5.629 -2.785 1.00 1.00 C HETATM 1761 C1D HEM A 305 2.910 -0.984 -6.501 1.00 1.00 C HETATM 1762 C2D HEM A 305 1.750 -0.238 -6.928 1.00 1.00 C HETATM 1763 C3D HEM A 305 2.147 0.576 -7.929 1.00 1.00 C HETATM 1764 C4D HEM A 305 3.557 0.342 -8.131 1.00 1.00 C HETATM 1765 CMD HEM A 305 0.376 -0.376 -6.339 1.00 1.00 C HETATM 1766 CAD HEM A 305 1.317 1.552 -8.710 1.00 1.00 C HETATM 1767 CBD HEM A 305 1.084 2.880 -7.994 1.00 1.00 C HETATM 1768 CGD HEM A 305 1.875 4.002 -8.651 1.00 1.00 C HETATM 1769 O1D HEM A 305 2.012 3.950 -9.892 1.00 1.00 O HETATM 1770 O2D HEM A 305 2.329 4.892 -7.899 1.00 1.00 O HETATM 1771 NA HEM A 305 6.414 -0.298 -8.753 1.00 1.00 N HETATM 1772 NB HEM A 305 7.614 -2.439 -7.315 1.00 1.00 N HETATM 1773 NC HEM A 305 5.204 -2.797 -5.763 1.00 1.00 N HETATM 1774 ND HEM A 305 4.017 -0.619 -7.248 1.00 1.00 N HETATM 1775 FE HEM A 305 5.772 -1.555 -7.309 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 8.514 1.451 -12.219 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 9.460 0.186 -11.399 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 9.466 1.850 -10.770 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 11.978 -3.047 -7.570 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 11.395 -1.741 -8.629 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 11.298 -3.434 -9.168 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 6.063 -6.541 -4.439 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 4.410 -6.665 -3.791 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 5.676 -5.843 -2.848 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.237 -1.394 -5.974 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 -0.371 -0.159 -7.103 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 0.263 0.324 -5.512 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 11.833 -4.872 -4.366 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 11.238 -3.127 -4.772 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 1.819 -6.008 -2.227 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 3.665 -6.056 -2.621 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 7.116 3.744 -9.996 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 5.626 4.458 -10.579 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 4.879 2.454 -11.274 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 6.281 2.253 -12.305 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 1.376 2.789 -6.948 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 0.022 3.123 -8.008 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 0.352 1.097 -8.932 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 1.805 1.746 -9.665 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.892 1.814 -9.642 1.00 1.00 H new HETATM 0 HHB HEM A 305 9.664 -0.945 -9.589 1.00 1.00 H new HETATM 0 HHC HEM A 305 7.759 -4.868 -4.927 1.00 1.00 H new HETATM 0 HHD HEM A 305 2.054 -1.938 -4.811 1.00 1.00 H new HETATM 0 HAB HEM A 305 10.182 -5.835 -6.224 1.00 1.00 H new HETATM 0 HAC HEM A 305 1.524 -4.039 -3.999 1.00 1.00 H new