USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 586 hydrogens (96 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 20 HIS HE2 : A 20 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 128 HEC HAC : A 128 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 158 HEC HAC : A 158 HEC CAC : A 65 CYS SG :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= 0.182 K(o=1.5,f=-3.6) USER MOD Set 1.2: A 158 HEC O2A : rot 63:sc= 1.3 USER MOD Set 1.3: A 158 HEC O2D : rot 170:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= -0.708 USER MOD Set 2.2: A 14 THR OG1 : rot 160:sc= -2.15! USER MOD Set 3.1: A 1 ALA N :NH3+ 158:sc= -2.2! (180deg=-2.76!) USER MOD Set 3.2: A 17 HIS :FLIP no HD1:sc= -15.2! C(o=-22!,f=-17!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 169:sc= -26.7! USER MOD Single : A 29 CYS SG : rot -30:sc= -30! USER MOD Single : A 33 THR OG1 : rot 12:sc= 0.11! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0232) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -129:sc= -18.2! USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0364) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= -0.0172 (180deg=-0.311) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.15) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -98:sc= -19.1! USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0516) USER MOD Single : A 98 HEC O2A : rot 166:sc= 0 USER MOD Single : A 98 HEC O2D : rot 170:sc= -0.0854 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD Single : A 128 HEC O2D : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.511 -5.354 6.876 1.00 10.00 N ATOM 2 CA ALA A 1 0.428 -6.787 7.103 1.00 10.00 C ATOM 3 C ALA A 1 1.787 -7.303 7.580 1.00 10.00 C ATOM 4 O ALA A 1 2.209 -8.394 7.200 1.00 10.00 O ATOM 5 CB ALA A 1 -0.043 -7.481 5.823 1.00 10.00 C ATOM 0 H1 ALA A 1 -0.244 -5.062 6.223 1.00 10.00 H new ATOM 0 H2 ALA A 1 0.400 -4.852 7.780 1.00 10.00 H new ATOM 0 H3 ALA A 1 1.436 -5.121 6.462 1.00 10.00 H new ATOM 0 HA ALA A 1 -0.301 -7.010 7.882 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -0.105 -8.556 5.994 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -1.025 -7.101 5.543 1.00 10.00 H new ATOM 0 HB3 ALA A 1 0.666 -7.282 5.019 1.00 10.00 H new ATOM 11 N ASP A 2 2.434 -6.494 8.405 1.00 10.00 N ATOM 12 CA ASP A 2 3.737 -6.855 8.939 1.00 10.00 C ATOM 13 C ASP A 2 4.684 -7.180 7.782 1.00 10.00 C ATOM 14 O ASP A 2 5.491 -8.103 7.877 1.00 10.00 O ATOM 15 CB ASP A 2 3.642 -8.092 9.834 1.00 10.00 C ATOM 16 CG ASP A 2 3.813 -7.822 11.331 1.00 10.00 C ATOM 17 OD1 ASP A 2 2.927 -7.140 11.888 1.00 10.00 O ATOM 18 OD2 ASP A 2 4.825 -8.305 11.882 1.00 10.00 O ATOM 0 H ASP A 2 2.081 -5.589 8.717 1.00 10.00 H new ATOM 0 HA ASP A 2 4.107 -6.014 9.525 1.00 10.00 H new ATOM 0 HB2 ASP A 2 2.673 -8.564 9.674 1.00 10.00 H new ATOM 0 HB3 ASP A 2 4.401 -8.808 9.520 1.00 10.00 H new ATOM 23 N VAL A 3 4.554 -6.404 6.717 1.00 10.00 N ATOM 24 CA VAL A 3 5.388 -6.598 5.542 1.00 10.00 C ATOM 25 C VAL A 3 5.045 -7.941 4.895 1.00 10.00 C ATOM 26 O VAL A 3 5.334 -8.997 5.455 1.00 10.00 O ATOM 27 CB VAL A 3 6.864 -6.478 5.924 1.00 10.00 C ATOM 28 CG1 VAL A 3 7.766 -6.985 4.797 1.00 10.00 C ATOM 29 CG2 VAL A 3 7.218 -5.039 6.304 1.00 10.00 C ATOM 0 H VAL A 3 3.884 -5.639 6.642 1.00 10.00 H new ATOM 0 HA VAL A 3 5.193 -5.822 4.802 1.00 10.00 H new ATOM 0 HB VAL A 3 7.035 -7.107 6.798 1.00 10.00 H new ATOM 0 HG11 VAL A 3 8.810 -6.888 5.095 1.00 10.00 H new ATOM 0 HG12 VAL A 3 7.542 -8.032 4.595 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.590 -6.396 3.897 1.00 10.00 H new ATOM 0 HG21 VAL A 3 8.273 -4.982 6.571 1.00 10.00 H new ATOM 0 HG22 VAL A 3 7.022 -4.381 5.458 1.00 10.00 H new ATOM 0 HG23 VAL A 3 6.611 -4.727 7.154 1.00 10.00 H new ATOM 39 N VAL A 4 4.433 -7.857 3.722 1.00 10.00 N ATOM 40 CA VAL A 4 4.047 -9.052 2.992 1.00 10.00 C ATOM 41 C VAL A 4 4.510 -8.928 1.538 1.00 10.00 C ATOM 42 O VAL A 4 4.763 -7.825 1.056 1.00 10.00 O ATOM 43 CB VAL A 4 2.541 -9.281 3.122 1.00 10.00 C ATOM 44 CG1 VAL A 4 2.122 -10.580 2.430 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.110 -9.280 4.590 1.00 10.00 C ATOM 0 H VAL A 4 4.195 -6.979 3.260 1.00 10.00 H new ATOM 0 HA VAL A 4 4.533 -9.931 3.414 1.00 10.00 H new ATOM 0 HB VAL A 4 2.033 -8.456 2.623 1.00 10.00 H new ATOM 0 HG11 VAL A 4 1.046 -10.719 2.537 1.00 10.00 H new ATOM 0 HG12 VAL A 4 2.377 -10.527 1.372 1.00 10.00 H new ATOM 0 HG13 VAL A 4 2.644 -11.421 2.887 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.034 -9.445 4.654 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.631 -10.075 5.123 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.357 -8.319 5.041 1.00 10.00 H new ATOM 55 N THR A 5 4.606 -10.074 0.882 1.00 10.00 N ATOM 56 CA THR A 5 5.033 -10.108 -0.506 1.00 10.00 C ATOM 57 C THR A 5 4.083 -10.974 -1.336 1.00 10.00 C ATOM 58 O THR A 5 3.953 -12.172 -1.089 1.00 10.00 O ATOM 59 CB THR A 5 6.484 -10.592 -0.543 1.00 10.00 C ATOM 60 OG1 THR A 5 7.191 -9.626 0.230 1.00 10.00 O ATOM 61 CG2 THR A 5 7.104 -10.480 -1.937 1.00 10.00 C ATOM 0 H THR A 5 4.395 -10.987 1.286 1.00 10.00 H new ATOM 0 HA THR A 5 4.994 -9.116 -0.955 1.00 10.00 H new ATOM 0 HB THR A 5 6.530 -11.628 -0.208 1.00 10.00 H new ATOM 0 HG1 THR A 5 8.141 -9.863 0.260 1.00 10.00 H new ATOM 0 HG21 THR A 5 8.134 -10.836 -1.907 1.00 10.00 H new ATOM 0 HG22 THR A 5 6.531 -11.085 -2.640 1.00 10.00 H new ATOM 0 HG23 THR A 5 7.090 -9.439 -2.259 1.00 10.00 H new ATOM 69 N TYR A 6 3.443 -10.334 -2.304 1.00 10.00 N ATOM 70 CA TYR A 6 2.508 -11.030 -3.172 1.00 10.00 C ATOM 71 C TYR A 6 3.103 -11.234 -4.566 1.00 10.00 C ATOM 72 O TYR A 6 3.079 -10.324 -5.394 1.00 10.00 O ATOM 73 CB TYR A 6 1.280 -10.125 -3.281 1.00 10.00 C ATOM 74 CG TYR A 6 0.254 -10.331 -2.165 1.00 10.00 C ATOM 75 CD1 TYR A 6 0.674 -10.472 -0.858 1.00 10.00 C ATOM 76 CD2 TYR A 6 -1.092 -10.376 -2.465 1.00 10.00 C ATOM 77 CE1 TYR A 6 -0.293 -10.667 0.192 1.00 10.00 C ATOM 78 CE2 TYR A 6 -2.059 -10.570 -1.416 1.00 10.00 C ATOM 79 CZ TYR A 6 -1.611 -10.706 -0.139 1.00 10.00 C ATOM 80 OH TYR A 6 -2.523 -10.890 0.853 1.00 10.00 O ATOM 0 H TYR A 6 3.554 -9.340 -2.506 1.00 10.00 H new ATOM 0 HA TYR A 6 2.267 -12.013 -2.768 1.00 10.00 H new ATOM 0 HB2 TYR A 6 1.606 -9.085 -3.273 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.796 -10.300 -4.242 1.00 10.00 H new ATOM 0 HD1 TYR A 6 1.727 -10.436 -0.622 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.421 -10.266 -3.488 1.00 10.00 H new ATOM 0 HE1 TYR A 6 0.022 -10.780 1.219 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.115 -10.607 -1.638 1.00 10.00 H new ATOM 0 HH TYR A 6 -3.425 -10.896 0.471 1.00 10.00 H new ATOM 90 N GLU A 7 3.622 -12.434 -4.784 1.00 10.00 N ATOM 91 CA GLU A 7 4.222 -12.768 -6.065 1.00 10.00 C ATOM 92 C GLU A 7 3.133 -13.051 -7.102 1.00 10.00 C ATOM 93 O GLU A 7 2.420 -14.047 -7.002 1.00 10.00 O ATOM 94 CB GLU A 7 5.173 -13.958 -5.930 1.00 10.00 C ATOM 95 CG GLU A 7 6.302 -13.649 -4.943 1.00 10.00 C ATOM 96 CD GLU A 7 6.514 -14.811 -3.971 1.00 10.00 C ATOM 97 OE1 GLU A 7 6.508 -15.963 -4.455 1.00 10.00 O ATOM 98 OE2 GLU A 7 6.675 -14.521 -2.766 1.00 10.00 O ATOM 0 H GLU A 7 3.639 -13.186 -4.096 1.00 10.00 H new ATOM 0 HA GLU A 7 4.808 -11.914 -6.405 1.00 10.00 H new ATOM 0 HB2 GLU A 7 4.619 -14.834 -5.592 1.00 10.00 H new ATOM 0 HB3 GLU A 7 5.594 -14.204 -6.905 1.00 10.00 H new ATOM 0 HG2 GLU A 7 7.225 -13.455 -5.490 1.00 10.00 H new ATOM 0 HG3 GLU A 7 6.065 -12.743 -4.386 1.00 10.00 H new ATOM 105 N ASN A 8 3.042 -12.156 -8.075 1.00 10.00 N ATOM 106 CA ASN A 8 2.052 -12.298 -9.130 1.00 10.00 C ATOM 107 C ASN A 8 2.761 -12.622 -10.447 1.00 10.00 C ATOM 108 O ASN A 8 3.989 -12.639 -10.508 1.00 10.00 O ATOM 109 CB ASN A 8 1.265 -11.000 -9.325 1.00 10.00 C ATOM 110 CG ASN A 8 0.125 -10.895 -8.311 1.00 10.00 C ATOM 111 OD1 ASN A 8 -0.634 -11.825 -8.090 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.045 -9.712 -7.706 1.00 10.00 N ATOM 0 H ASN A 8 3.636 -11.331 -8.155 1.00 10.00 H new ATOM 0 HA ASN A 8 1.367 -13.096 -8.845 1.00 10.00 H new ATOM 0 HB2 ASN A 8 1.933 -10.145 -9.217 1.00 10.00 H new ATOM 0 HB3 ASN A 8 0.861 -10.963 -10.337 1.00 10.00 H new ATOM 0 HD21 ASN A 8 -0.683 -9.542 -7.012 1.00 10.00 H new ATOM 0 HD22 ASN A 8 0.712 -8.975 -7.936 1.00 10.00 H new ATOM 119 N LYS A 9 1.955 -12.872 -11.470 1.00 10.00 N ATOM 120 CA LYS A 9 2.490 -13.195 -12.781 1.00 10.00 C ATOM 121 C LYS A 9 2.933 -11.907 -13.478 1.00 10.00 C ATOM 122 O LYS A 9 4.014 -11.854 -14.064 1.00 10.00 O ATOM 123 CB LYS A 9 1.476 -14.012 -13.587 1.00 10.00 C ATOM 124 CG LYS A 9 2.051 -15.379 -13.963 1.00 10.00 C ATOM 125 CD LYS A 9 1.999 -16.342 -12.776 1.00 10.00 C ATOM 126 CE LYS A 9 2.243 -17.783 -13.228 1.00 10.00 C ATOM 127 NZ LYS A 9 1.967 -18.727 -12.122 1.00 10.00 N ATOM 0 H LYS A 9 0.937 -12.857 -11.416 1.00 10.00 H new ATOM 0 HA LYS A 9 3.373 -13.827 -12.687 1.00 10.00 H new ATOM 0 HB2 LYS A 9 0.564 -14.144 -13.004 1.00 10.00 H new ATOM 0 HB3 LYS A 9 1.201 -13.468 -14.490 1.00 10.00 H new ATOM 0 HG2 LYS A 9 1.489 -15.796 -14.799 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.082 -15.264 -14.297 1.00 10.00 H new ATOM 0 HD2 LYS A 9 2.749 -16.057 -12.038 1.00 10.00 H new ATOM 0 HD3 LYS A 9 1.028 -16.270 -12.287 1.00 10.00 H new ATOM 0 HE2 LYS A 9 1.605 -18.016 -14.081 1.00 10.00 H new ATOM 0 HE3 LYS A 9 3.275 -17.896 -13.562 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 2.138 -19.700 -12.446 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 2.593 -18.514 -11.320 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 0.976 -18.631 -11.822 1.00 10.00 H new ATOM 141 N LYS A 10 2.077 -10.899 -13.392 1.00 10.00 N ATOM 142 CA LYS A 10 2.366 -9.615 -14.007 1.00 10.00 C ATOM 143 C LYS A 10 3.071 -8.716 -12.989 1.00 10.00 C ATOM 144 O LYS A 10 2.652 -7.583 -12.762 1.00 10.00 O ATOM 145 CB LYS A 10 1.092 -9.002 -14.591 1.00 10.00 C ATOM 146 CG LYS A 10 0.587 -9.818 -15.783 1.00 10.00 C ATOM 147 CD LYS A 10 0.940 -9.135 -17.105 1.00 10.00 C ATOM 148 CE LYS A 10 -0.108 -8.083 -17.474 1.00 10.00 C ATOM 149 NZ LYS A 10 0.255 -7.414 -18.743 1.00 10.00 N ATOM 0 H LYS A 10 1.182 -10.946 -12.905 1.00 10.00 H new ATOM 0 HA LYS A 10 3.047 -9.739 -14.849 1.00 10.00 H new ATOM 0 HB2 LYS A 10 0.320 -8.958 -13.823 1.00 10.00 H new ATOM 0 HB3 LYS A 10 1.288 -7.977 -14.905 1.00 10.00 H new ATOM 0 HG2 LYS A 10 1.025 -10.816 -15.757 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -0.493 -9.942 -15.711 1.00 10.00 H new ATOM 0 HD2 LYS A 10 1.920 -8.665 -17.026 1.00 10.00 H new ATOM 0 HD3 LYS A 10 1.007 -9.881 -17.897 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -1.086 -8.554 -17.571 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -0.187 -7.344 -16.676 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -0.466 -6.703 -18.979 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 1.179 -6.948 -18.638 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 0.308 -8.120 -19.505 1.00 10.00 H new ATOM 163 N GLY A 11 4.132 -9.255 -12.405 1.00 10.00 N ATOM 164 CA GLY A 11 4.899 -8.515 -11.418 1.00 10.00 C ATOM 165 C GLY A 11 4.648 -9.057 -10.010 1.00 10.00 C ATOM 166 O GLY A 11 4.580 -10.269 -9.810 1.00 10.00 O ATOM 0 H GLY A 11 4.478 -10.195 -12.597 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.961 -8.582 -11.653 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.629 -7.460 -11.459 1.00 10.00 H new ATOM 170 N ASN A 12 4.516 -8.133 -9.069 1.00 10.00 N ATOM 171 CA ASN A 12 4.275 -8.503 -7.685 1.00 10.00 C ATOM 172 C ASN A 12 4.251 -7.240 -6.821 1.00 10.00 C ATOM 173 O ASN A 12 5.102 -6.365 -6.972 1.00 10.00 O ATOM 174 CB ASN A 12 5.382 -9.417 -7.157 1.00 10.00 C ATOM 175 CG ASN A 12 6.727 -8.689 -7.128 1.00 10.00 C ATOM 176 OD1 ASN A 12 6.974 -7.758 -7.876 1.00 10.00 O ATOM 177 ND2 ASN A 12 7.579 -9.165 -6.224 1.00 10.00 N ATOM 0 H ASN A 12 4.571 -7.129 -9.238 1.00 10.00 H new ATOM 0 HA ASN A 12 3.322 -9.029 -7.638 1.00 10.00 H new ATOM 0 HB2 ASN A 12 5.128 -9.759 -6.154 1.00 10.00 H new ATOM 0 HB3 ASN A 12 5.458 -10.303 -7.787 1.00 10.00 H new ATOM 0 HD21 ASN A 12 8.504 -8.747 -6.126 1.00 10.00 H new ATOM 0 HD22 ASN A 12 7.307 -9.948 -5.629 1.00 10.00 H new ATOM 184 N VAL A 13 3.269 -7.187 -5.934 1.00 10.00 N ATOM 185 CA VAL A 13 3.125 -6.046 -5.045 1.00 10.00 C ATOM 186 C VAL A 13 3.526 -6.456 -3.627 1.00 10.00 C ATOM 187 O VAL A 13 2.930 -7.362 -3.046 1.00 10.00 O ATOM 188 CB VAL A 13 1.699 -5.497 -5.127 1.00 10.00 C ATOM 189 CG1 VAL A 13 0.676 -6.561 -4.726 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.546 -4.239 -4.270 1.00 10.00 C ATOM 0 H VAL A 13 2.565 -7.915 -5.811 1.00 10.00 H new ATOM 0 HA VAL A 13 3.790 -5.238 -5.350 1.00 10.00 H new ATOM 0 HB VAL A 13 1.506 -5.222 -6.164 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -0.329 -6.144 -4.793 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.759 -7.417 -5.396 1.00 10.00 H new ATOM 0 HG13 VAL A 13 0.867 -6.882 -3.702 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.523 -3.869 -4.346 1.00 10.00 H new ATOM 0 HG22 VAL A 13 1.769 -4.478 -3.230 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.236 -3.473 -4.622 1.00 10.00 H new ATOM 200 N THR A 14 4.534 -5.769 -3.111 1.00 10.00 N ATOM 201 CA THR A 14 5.023 -6.050 -1.771 1.00 10.00 C ATOM 202 C THR A 14 4.571 -4.959 -0.799 1.00 10.00 C ATOM 203 O THR A 14 5.083 -3.841 -0.835 1.00 10.00 O ATOM 204 CB THR A 14 6.543 -6.207 -1.846 1.00 10.00 C ATOM 205 OG1 THR A 14 6.733 -7.426 -2.560 1.00 10.00 O ATOM 206 CG2 THR A 14 7.172 -6.476 -0.477 1.00 10.00 C ATOM 0 H THR A 14 5.026 -5.018 -3.596 1.00 10.00 H new ATOM 0 HA THR A 14 4.605 -6.979 -1.384 1.00 10.00 H new ATOM 0 HB THR A 14 6.979 -5.305 -2.276 1.00 10.00 H new ATOM 0 HG1 THR A 14 7.639 -7.449 -2.932 1.00 10.00 H new ATOM 0 HG21 THR A 14 8.252 -6.579 -0.587 1.00 10.00 H new ATOM 0 HG22 THR A 14 6.953 -5.645 0.194 1.00 10.00 H new ATOM 0 HG23 THR A 14 6.760 -7.396 -0.062 1.00 10.00 H new ATOM 214 N PHE A 15 3.620 -5.322 0.048 1.00 10.00 N ATOM 215 CA PHE A 15 3.093 -4.388 1.028 1.00 10.00 C ATOM 216 C PHE A 15 4.152 -4.039 2.076 1.00 10.00 C ATOM 217 O PHE A 15 5.069 -4.822 2.321 1.00 10.00 O ATOM 218 CB PHE A 15 1.917 -5.080 1.719 1.00 10.00 C ATOM 219 CG PHE A 15 0.927 -5.736 0.754 1.00 10.00 C ATOM 220 CD1 PHE A 15 0.898 -5.358 -0.551 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.076 -6.699 1.203 1.00 10.00 C ATOM 222 CE1 PHE A 15 -0.021 -5.967 -1.447 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.843 -7.307 0.308 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.872 -6.929 -0.998 1.00 10.00 C ATOM 0 H PHE A 15 3.200 -6.251 0.076 1.00 10.00 H new ATOM 0 HA PHE A 15 2.788 -3.464 0.536 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.304 -5.839 2.398 1.00 10.00 H new ATOM 0 HB3 PHE A 15 1.385 -4.349 2.328 1.00 10.00 H new ATOM 0 HD1 PHE A 15 1.574 -4.594 -0.907 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.100 -7.000 2.240 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.044 -5.667 -2.484 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.519 -8.070 0.664 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.571 -7.392 -1.679 1.00 10.00 H new ATOM 234 N ASP A 16 3.989 -2.865 2.667 1.00 10.00 N ATOM 235 CA ASP A 16 4.919 -2.402 3.684 1.00 10.00 C ATOM 236 C ASP A 16 4.134 -1.909 4.901 1.00 10.00 C ATOM 237 O ASP A 16 3.421 -0.911 4.821 1.00 10.00 O ATOM 238 CB ASP A 16 5.769 -1.240 3.165 1.00 10.00 C ATOM 239 CG ASP A 16 6.219 -1.368 1.709 1.00 10.00 C ATOM 240 OD1 ASP A 16 5.399 -1.025 0.829 1.00 10.00 O ATOM 241 OD2 ASP A 16 7.373 -1.804 1.507 1.00 10.00 O ATOM 0 H ASP A 16 3.226 -2.220 2.461 1.00 10.00 H new ATOM 0 HA ASP A 16 5.571 -3.234 3.949 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.200 -0.317 3.274 1.00 10.00 H new ATOM 0 HB3 ASP A 16 6.653 -1.146 3.796 1.00 10.00 H new ATOM 246 N HIS A 17 4.293 -2.632 5.999 1.00 10.00 N ATOM 247 CA HIS A 17 3.607 -2.281 7.231 1.00 10.00 C ATOM 248 C HIS A 17 4.636 -1.950 8.314 1.00 10.00 C ATOM 249 O HIS A 17 4.688 -0.823 8.802 1.00 10.00 O ATOM 250 CB HIS A 17 2.641 -3.390 7.652 1.00 10.00 C ATOM 251 CG HIS A 17 1.724 -3.009 8.788 1.00 10.00 C ATOM 252 ND1 HIS A 17 0.390 -3.227 8.970 1.00 10.00 N flip ATOM 253 CD2 HIS A 17 2.162 -2.316 9.904 1.00 10.00 C flip ATOM 254 CE1 HIS A 17 0.033 -2.699 10.135 1.00 10.00 C flip ATOM 255 NE2 HIS A 17 1.130 -2.134 10.715 1.00 10.00 N flip ATOM 0 H HIS A 17 4.887 -3.459 6.062 1.00 10.00 H new ATOM 0 HA HIS A 17 2.998 -1.391 7.071 1.00 10.00 H new ATOM 0 HB2 HIS A 17 2.036 -3.677 6.792 1.00 10.00 H new ATOM 0 HB3 HIS A 17 3.217 -4.268 7.943 1.00 10.00 H new ATOM 0 HD2 HIS A 17 3.173 -1.981 10.083 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.962 -2.715 10.554 1.00 10.00 H new ATOM 0 HE2 HIS A 17 1.152 -1.655 11.615 1.00 10.00 H new ATOM 263 N LYS A 18 5.430 -2.955 8.658 1.00 10.00 N ATOM 264 CA LYS A 18 6.455 -2.784 9.674 1.00 10.00 C ATOM 265 C LYS A 18 7.529 -1.827 9.154 1.00 10.00 C ATOM 266 O LYS A 18 7.939 -0.906 9.859 1.00 10.00 O ATOM 267 CB LYS A 18 7.003 -4.143 10.114 1.00 10.00 C ATOM 268 CG LYS A 18 7.179 -4.197 11.633 1.00 10.00 C ATOM 269 CD LYS A 18 7.666 -5.578 12.081 1.00 10.00 C ATOM 270 CE LYS A 18 8.444 -5.485 13.394 1.00 10.00 C ATOM 271 NZ LYS A 18 9.896 -5.631 13.148 1.00 10.00 N ATOM 0 H LYS A 18 5.384 -3.889 8.251 1.00 10.00 H new ATOM 0 HA LYS A 18 6.032 -2.330 10.570 1.00 10.00 H new ATOM 0 HB2 LYS A 18 6.324 -4.934 9.795 1.00 10.00 H new ATOM 0 HB3 LYS A 18 7.960 -4.328 9.627 1.00 10.00 H new ATOM 0 HG2 LYS A 18 7.894 -3.436 11.947 1.00 10.00 H new ATOM 0 HG3 LYS A 18 6.232 -3.966 12.121 1.00 10.00 H new ATOM 0 HD2 LYS A 18 6.813 -6.245 12.206 1.00 10.00 H new ATOM 0 HD3 LYS A 18 8.300 -6.012 11.308 1.00 10.00 H new ATOM 0 HE2 LYS A 18 8.245 -4.527 13.874 1.00 10.00 H new ATOM 0 HE3 LYS A 18 8.106 -6.262 14.080 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 10.409 -5.565 14.050 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 10.083 -6.556 12.710 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 10.218 -4.875 12.511 1.00 10.00 H new ATOM 285 N ALA A 19 7.953 -2.077 7.924 1.00 10.00 N ATOM 286 CA ALA A 19 8.972 -1.248 7.302 1.00 10.00 C ATOM 287 C ALA A 19 8.478 0.198 7.237 1.00 10.00 C ATOM 288 O ALA A 19 9.249 1.132 7.451 1.00 10.00 O ATOM 289 CB ALA A 19 9.313 -1.810 5.920 1.00 10.00 C ATOM 0 H ALA A 19 7.610 -2.841 7.342 1.00 10.00 H new ATOM 0 HA ALA A 19 9.888 -1.257 7.893 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.077 -1.189 5.453 1.00 10.00 H new ATOM 0 HB2 ALA A 19 9.687 -2.829 6.024 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.418 -1.814 5.298 1.00 10.00 H new ATOM 295 N HIS A 20 7.194 0.338 6.940 1.00 10.00 N ATOM 296 CA HIS A 20 6.587 1.655 6.845 1.00 10.00 C ATOM 297 C HIS A 20 6.355 2.216 8.248 1.00 10.00 C ATOM 298 O HIS A 20 6.930 3.240 8.615 1.00 10.00 O ATOM 299 CB HIS A 20 5.308 1.604 6.008 1.00 10.00 C ATOM 300 CG HIS A 20 5.546 1.642 4.517 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.775 1.355 3.947 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.703 1.936 3.486 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.664 1.474 2.632 1.00 10.00 C ATOM 304 NE2 HIS A 20 5.379 1.835 2.348 1.00 10.00 N ATOM 0 H HIS A 20 6.557 -0.439 6.762 1.00 10.00 H new ATOM 0 HA HIS A 20 7.264 2.335 6.328 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.761 0.694 6.255 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.671 2.444 6.285 1.00 10.00 H new ATOM 0 HD1 HIS A 20 7.622 1.096 4.453 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.661 2.205 3.580 1.00 10.00 H new ATOM 0 HE1 HIS A 20 7.452 1.313 1.911 1.00 10.00 H new ATOM 312 N ALA A 21 5.512 1.522 8.997 1.00 10.00 N ATOM 313 CA ALA A 21 5.197 1.938 10.353 1.00 10.00 C ATOM 314 C ALA A 21 6.452 2.516 11.009 1.00 10.00 C ATOM 315 O ALA A 21 6.369 3.465 11.788 1.00 10.00 O ATOM 316 CB ALA A 21 4.625 0.751 11.132 1.00 10.00 C ATOM 0 H ALA A 21 5.037 0.673 8.690 1.00 10.00 H new ATOM 0 HA ALA A 21 4.438 2.720 10.348 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.389 1.063 12.149 1.00 10.00 H new ATOM 0 HB2 ALA A 21 3.718 0.397 10.641 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.360 -0.053 11.161 1.00 10.00 H new ATOM 322 N GLU A 22 7.586 1.920 10.671 1.00 10.00 N ATOM 323 CA GLU A 22 8.857 2.364 11.217 1.00 10.00 C ATOM 324 C GLU A 22 8.933 3.892 11.210 1.00 10.00 C ATOM 325 O GLU A 22 9.183 4.510 12.244 1.00 10.00 O ATOM 326 CB GLU A 22 10.029 1.753 10.446 1.00 10.00 C ATOM 327 CG GLU A 22 10.132 0.249 10.706 1.00 10.00 C ATOM 328 CD GLU A 22 11.459 -0.101 11.383 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.503 0.126 10.734 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.399 -0.586 12.533 1.00 10.00 O ATOM 0 H GLU A 22 7.651 1.133 10.025 1.00 10.00 H new ATOM 0 HA GLU A 22 8.926 2.021 12.249 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.900 1.933 9.379 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.958 2.241 10.742 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.302 -0.072 11.336 1.00 10.00 H new ATOM 0 HG3 GLU A 22 10.046 -0.293 9.764 1.00 10.00 H new ATOM 337 N LYS A 23 8.713 4.458 10.032 1.00 10.00 N ATOM 338 CA LYS A 23 8.753 5.902 9.877 1.00 10.00 C ATOM 339 C LYS A 23 7.343 6.419 9.579 1.00 10.00 C ATOM 340 O LYS A 23 6.865 7.339 10.239 1.00 10.00 O ATOM 341 CB LYS A 23 9.788 6.299 8.822 1.00 10.00 C ATOM 342 CG LYS A 23 11.094 5.526 9.017 1.00 10.00 C ATOM 343 CD LYS A 23 12.045 6.281 9.949 1.00 10.00 C ATOM 344 CE LYS A 23 12.172 5.569 11.297 1.00 10.00 C ATOM 345 NZ LYS A 23 12.517 6.536 12.363 1.00 10.00 N ATOM 0 H LYS A 23 8.507 3.943 9.176 1.00 10.00 H new ATOM 0 HA LYS A 23 9.077 6.375 10.804 1.00 10.00 H new ATOM 0 HB2 LYS A 23 9.391 6.103 7.826 1.00 10.00 H new ATOM 0 HB3 LYS A 23 9.982 7.370 8.883 1.00 10.00 H new ATOM 0 HG2 LYS A 23 10.879 4.541 9.431 1.00 10.00 H new ATOM 0 HG3 LYS A 23 11.575 5.368 8.052 1.00 10.00 H new ATOM 0 HD2 LYS A 23 13.027 6.363 9.483 1.00 10.00 H new ATOM 0 HD3 LYS A 23 11.679 7.296 10.103 1.00 10.00 H new ATOM 0 HE2 LYS A 23 11.235 5.069 11.541 1.00 10.00 H new ATOM 0 HE3 LYS A 23 12.939 4.797 11.236 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 12.599 6.036 13.271 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 13.423 6.994 12.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 11.772 7.258 12.431 1.00 10.00 H new ATOM 359 N LEU A 24 6.719 5.803 8.586 1.00 10.00 N ATOM 360 CA LEU A 24 5.375 6.189 8.193 1.00 10.00 C ATOM 361 C LEU A 24 4.509 6.349 9.445 1.00 10.00 C ATOM 362 O LEU A 24 4.422 7.439 10.007 1.00 10.00 O ATOM 363 CB LEU A 24 4.808 5.196 7.176 1.00 10.00 C ATOM 364 CG LEU A 24 4.567 5.744 5.767 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.547 4.613 4.736 1.00 10.00 C ATOM 366 CD2 LEU A 24 3.292 6.587 5.718 1.00 10.00 C ATOM 0 H LEU A 24 7.120 5.039 8.042 1.00 10.00 H new ATOM 0 HA LEU A 24 5.388 7.155 7.688 1.00 10.00 H new ATOM 0 HB2 LEU A 24 5.492 4.350 7.104 1.00 10.00 H new ATOM 0 HB3 LEU A 24 3.864 4.811 7.561 1.00 10.00 H new ATOM 0 HG LEU A 24 5.397 6.401 5.508 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.374 5.029 3.743 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.504 4.091 4.749 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.749 3.912 4.980 1.00 10.00 H new ATOM 0 HD21 LEU A 24 3.144 6.964 4.706 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.438 5.973 6.005 1.00 10.00 H new ATOM 0 HD23 LEU A 24 3.384 7.426 6.408 1.00 10.00 H new ATOM 378 N GLY A 25 3.891 5.246 9.843 1.00 10.00 N ATOM 379 CA GLY A 25 3.035 5.252 11.017 1.00 10.00 C ATOM 380 C GLY A 25 1.753 4.457 10.763 1.00 10.00 C ATOM 381 O GLY A 25 1.638 3.760 9.756 1.00 10.00 O ATOM 0 H GLY A 25 3.966 4.343 9.374 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.571 4.824 11.865 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.784 6.279 11.284 1.00 10.00 H new ATOM 385 N CYS A 26 0.819 4.590 11.694 1.00 10.00 N ATOM 386 CA CYS A 26 -0.452 3.894 11.584 1.00 10.00 C ATOM 387 C CYS A 26 -1.426 4.792 10.819 1.00 10.00 C ATOM 388 O CYS A 26 -1.869 4.444 9.725 1.00 10.00 O ATOM 389 CB CYS A 26 -0.999 3.495 12.956 1.00 10.00 C ATOM 390 SG CYS A 26 0.277 3.130 14.215 1.00 10.00 S ATOM 0 H CYS A 26 0.917 5.169 12.528 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.313 2.961 11.037 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -1.635 4.300 13.326 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -1.633 2.617 12.837 1.00 10.00 H new ATOM 0 HG CYS A 26 -0.282 3.036 15.385 1.00 10.00 H new ATOM 395 N ASP A 27 -1.733 5.929 11.426 1.00 10.00 N ATOM 396 CA ASP A 27 -2.648 6.880 10.815 1.00 10.00 C ATOM 397 C ASP A 27 -2.365 6.961 9.314 1.00 10.00 C ATOM 398 O ASP A 27 -3.265 7.243 8.523 1.00 10.00 O ATOM 399 CB ASP A 27 -2.465 8.278 11.408 1.00 10.00 C ATOM 400 CG ASP A 27 -3.758 8.971 11.842 1.00 10.00 C ATOM 401 OD1 ASP A 27 -4.635 9.138 10.967 1.00 10.00 O ATOM 402 OD2 ASP A 27 -3.841 9.318 13.041 1.00 10.00 O ATOM 0 H ASP A 27 -1.365 6.214 12.334 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.666 6.539 11.004 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.802 8.207 12.270 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -1.964 8.906 10.671 1.00 10.00 H new ATOM 407 N ALA A 28 -1.111 6.709 8.966 1.00 10.00 N ATOM 408 CA ALA A 28 -0.699 6.750 7.573 1.00 10.00 C ATOM 409 C ALA A 28 -1.791 6.125 6.704 1.00 10.00 C ATOM 410 O ALA A 28 -2.331 6.779 5.813 1.00 10.00 O ATOM 411 CB ALA A 28 0.648 6.040 7.418 1.00 10.00 C ATOM 0 H ALA A 28 -0.368 6.476 9.624 1.00 10.00 H new ATOM 0 HA ALA A 28 -0.565 7.780 7.243 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.957 6.071 6.373 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.396 6.541 8.033 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.551 5.002 7.738 1.00 10.00 H new ATOM 417 N CYS A 29 -2.084 4.865 6.992 1.00 10.00 N ATOM 418 CA CYS A 29 -3.103 4.145 6.247 1.00 10.00 C ATOM 419 C CYS A 29 -4.367 4.075 7.106 1.00 10.00 C ATOM 420 O CYS A 29 -5.474 4.259 6.603 1.00 10.00 O ATOM 421 CB CYS A 29 -2.619 2.755 5.829 1.00 10.00 C ATOM 422 SG CYS A 29 -0.806 2.597 5.640 1.00 10.00 S ATOM 0 H CYS A 29 -1.634 4.325 7.731 1.00 10.00 H new ATOM 0 HA CYS A 29 -3.324 4.675 5.321 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.957 2.030 6.570 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.093 2.490 4.884 1.00 10.00 H new ATOM 0 HG CYS A 29 -0.307 3.740 5.272 1.00 10.00 H new ATOM 427 N HIS A 30 -4.160 3.808 8.387 1.00 10.00 N ATOM 428 CA HIS A 30 -5.269 3.711 9.319 1.00 10.00 C ATOM 429 C HIS A 30 -5.502 5.069 9.983 1.00 10.00 C ATOM 430 O HIS A 30 -5.179 6.108 9.409 1.00 10.00 O ATOM 431 CB HIS A 30 -5.031 2.589 10.334 1.00 10.00 C ATOM 432 CG HIS A 30 -4.381 1.359 9.746 1.00 10.00 C ATOM 433 ND1 HIS A 30 -5.108 0.293 9.246 1.00 10.00 N ATOM 434 CD2 HIS A 30 -3.065 1.037 9.583 1.00 10.00 C ATOM 435 CE1 HIS A 30 -4.259 -0.623 8.806 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.993 -0.160 9.016 1.00 10.00 N ATOM 0 H HIS A 30 -3.240 3.656 8.801 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.179 3.448 8.779 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.404 2.969 11.140 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.985 2.306 10.779 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -6.125 0.224 9.221 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -2.224 1.653 9.867 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -4.523 -1.570 8.359 1.00 10.00 H new ATOM 444 N GLU A 31 -6.059 5.018 11.184 1.00 10.00 N ATOM 445 CA GLU A 31 -6.339 6.232 11.932 1.00 10.00 C ATOM 446 C GLU A 31 -6.355 5.939 13.434 1.00 10.00 C ATOM 447 O GLU A 31 -5.441 5.302 13.955 1.00 10.00 O ATOM 448 CB GLU A 31 -7.659 6.861 11.482 1.00 10.00 C ATOM 449 CG GLU A 31 -7.695 7.032 9.962 1.00 10.00 C ATOM 450 CD GLU A 31 -8.948 7.795 9.525 1.00 10.00 C ATOM 451 OE1 GLU A 31 -9.128 8.926 10.026 1.00 10.00 O ATOM 452 OE2 GLU A 31 -9.697 7.228 8.701 1.00 10.00 O ATOM 0 H GLU A 31 -6.324 4.155 11.658 1.00 10.00 H new ATOM 0 HA GLU A 31 -5.545 6.951 11.731 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.492 6.234 11.801 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -7.787 7.830 11.964 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -6.805 7.568 9.632 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.675 6.054 9.482 1.00 10.00 H new ATOM 459 N GLY A 32 -7.405 6.416 14.086 1.00 10.00 N ATOM 460 CA GLY A 32 -7.553 6.212 15.518 1.00 10.00 C ATOM 461 C GLY A 32 -7.856 4.747 15.835 1.00 10.00 C ATOM 462 O GLY A 32 -7.802 4.334 16.992 1.00 10.00 O ATOM 0 H GLY A 32 -8.161 6.943 13.650 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -6.639 6.517 16.029 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -8.356 6.844 15.898 1.00 10.00 H new ATOM 466 N THR A 33 -8.170 4.001 14.786 1.00 10.00 N ATOM 467 CA THR A 33 -8.483 2.590 14.938 1.00 10.00 C ATOM 468 C THR A 33 -8.065 1.813 13.688 1.00 10.00 C ATOM 469 O THR A 33 -8.715 1.905 12.648 1.00 10.00 O ATOM 470 CB THR A 33 -9.974 2.468 15.258 1.00 10.00 C ATOM 471 OG1 THR A 33 -10.070 2.870 16.622 1.00 10.00 O ATOM 472 CG2 THR A 33 -10.455 1.015 15.263 1.00 10.00 C ATOM 0 H THR A 33 -8.214 4.347 13.827 1.00 10.00 H new ATOM 0 HA THR A 33 -7.922 2.147 15.761 1.00 10.00 H new ATOM 0 HB THR A 33 -10.550 3.038 14.529 1.00 10.00 H new ATOM 0 HG1 THR A 33 -9.227 3.285 16.901 1.00 10.00 H new ATOM 0 HG21 THR A 33 -11.520 0.985 15.495 1.00 10.00 H new ATOM 0 HG22 THR A 33 -10.285 0.572 14.282 1.00 10.00 H new ATOM 0 HG23 THR A 33 -9.903 0.452 16.016 1.00 10.00 H new ATOM 480 N PRO A 34 -6.951 1.045 13.835 1.00 10.00 N ATOM 481 CA PRO A 34 -6.438 0.252 12.730 1.00 10.00 C ATOM 482 C PRO A 34 -7.304 -0.987 12.495 1.00 10.00 C ATOM 483 O PRO A 34 -8.121 -1.347 13.342 1.00 10.00 O ATOM 484 CB PRO A 34 -5.008 -0.087 13.121 1.00 10.00 C ATOM 485 CG PRO A 34 -4.925 0.129 14.623 1.00 10.00 C ATOM 486 CD PRO A 34 -6.155 0.911 15.051 1.00 10.00 C ATOM 0 HA PRO A 34 -6.461 0.787 11.781 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.766 -1.117 12.860 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.298 0.550 12.595 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -4.881 -0.827 15.144 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -4.017 0.675 14.880 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -6.707 0.385 15.830 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -5.883 1.886 15.456 1.00 10.00 H new ATOM 494 N ALA A 35 -7.096 -1.606 11.343 1.00 10.00 N ATOM 495 CA ALA A 35 -7.847 -2.797 10.986 1.00 10.00 C ATOM 496 C ALA A 35 -7.484 -3.215 9.560 1.00 10.00 C ATOM 497 O ALA A 35 -6.871 -2.447 8.821 1.00 10.00 O ATOM 498 CB ALA A 35 -9.344 -2.525 11.152 1.00 10.00 C ATOM 0 H ALA A 35 -6.417 -1.305 10.644 1.00 10.00 H new ATOM 0 HA ALA A 35 -7.591 -3.625 11.647 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.908 -3.418 10.884 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -9.553 -2.261 12.189 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.639 -1.701 10.501 1.00 10.00 H new ATOM 504 N LYS A 36 -7.879 -4.433 9.216 1.00 10.00 N ATOM 505 CA LYS A 36 -7.604 -4.962 7.891 1.00 10.00 C ATOM 506 C LYS A 36 -8.256 -4.061 6.841 1.00 10.00 C ATOM 507 O LYS A 36 -9.449 -3.774 6.919 1.00 10.00 O ATOM 508 CB LYS A 36 -8.036 -6.426 7.800 1.00 10.00 C ATOM 509 CG LYS A 36 -8.418 -6.797 6.366 1.00 10.00 C ATOM 510 CD LYS A 36 -8.454 -8.315 6.182 1.00 10.00 C ATOM 511 CE LYS A 36 -7.126 -8.832 5.624 1.00 10.00 C ATOM 512 NZ LYS A 36 -6.997 -10.288 5.856 1.00 10.00 N ATOM 0 H LYS A 36 -8.387 -5.068 9.832 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.532 -4.957 7.693 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.226 -7.070 8.142 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -8.884 -6.601 8.463 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -9.394 -6.375 6.125 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -7.701 -6.360 5.671 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -8.663 -8.796 7.138 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -9.266 -8.584 5.506 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -7.067 -8.621 4.556 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -6.297 -8.307 6.099 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -6.090 -10.622 5.471 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -7.032 -10.481 6.877 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -7.778 -10.785 5.383 1.00 10.00 H new ATOM 526 N ILE A 37 -7.444 -3.641 5.882 1.00 10.00 N ATOM 527 CA ILE A 37 -7.927 -2.779 4.817 1.00 10.00 C ATOM 528 C ILE A 37 -8.279 -3.632 3.596 1.00 10.00 C ATOM 529 O ILE A 37 -8.130 -3.186 2.459 1.00 10.00 O ATOM 530 CB ILE A 37 -6.914 -1.672 4.522 1.00 10.00 C ATOM 531 CG1 ILE A 37 -6.430 -1.012 5.816 1.00 10.00 C ATOM 532 CG2 ILE A 37 -7.487 -0.650 3.538 1.00 10.00 C ATOM 533 CD1 ILE A 37 -5.186 -0.159 5.564 1.00 10.00 C ATOM 0 H ILE A 37 -6.455 -3.882 5.820 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.840 -2.269 5.125 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.044 -2.125 4.046 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -7.224 -0.390 6.230 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -6.206 -1.779 6.558 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.746 0.126 3.346 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -7.741 -1.148 2.603 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -8.383 -0.198 3.963 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.863 0.298 6.499 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.387 -0.788 5.173 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.421 0.622 4.840 1.00 10.00 H new ATOM 545 N ALA A 38 -8.737 -4.844 3.872 1.00 10.00 N ATOM 546 CA ALA A 38 -9.110 -5.763 2.811 1.00 10.00 C ATOM 547 C ALA A 38 -8.274 -5.464 1.566 1.00 10.00 C ATOM 548 O ALA A 38 -8.700 -4.707 0.694 1.00 10.00 O ATOM 549 CB ALA A 38 -10.613 -5.652 2.544 1.00 10.00 C ATOM 0 H ALA A 38 -8.858 -5.211 4.816 1.00 10.00 H new ATOM 0 HA ALA A 38 -8.906 -6.792 3.106 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -10.893 -6.342 1.748 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.163 -5.902 3.451 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -10.855 -4.633 2.243 1.00 10.00 H new ATOM 555 N ILE A 39 -7.098 -6.074 1.521 1.00 10.00 N ATOM 556 CA ILE A 39 -6.197 -5.882 0.397 1.00 10.00 C ATOM 557 C ILE A 39 -6.572 -6.856 -0.723 1.00 10.00 C ATOM 558 O ILE A 39 -6.487 -8.070 -0.549 1.00 10.00 O ATOM 559 CB ILE A 39 -4.741 -5.998 0.851 1.00 10.00 C ATOM 560 CG1 ILE A 39 -4.328 -4.783 1.682 1.00 10.00 C ATOM 561 CG2 ILE A 39 -3.811 -6.220 -0.343 1.00 10.00 C ATOM 562 CD1 ILE A 39 -4.447 -3.495 0.866 1.00 10.00 C ATOM 0 H ILE A 39 -6.748 -6.702 2.245 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.301 -4.875 -0.007 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.652 -6.873 1.495 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -4.956 -4.715 2.570 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.301 -4.906 2.027 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.782 -6.299 0.007 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.091 -7.140 -0.856 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -3.896 -5.380 -1.032 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.147 -2.646 1.480 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -3.799 -3.557 -0.008 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -5.480 -3.363 0.543 1.00 10.00 H new ATOM 574 N ASP A 40 -6.979 -6.285 -1.848 1.00 10.00 N ATOM 575 CA ASP A 40 -7.367 -7.087 -2.995 1.00 10.00 C ATOM 576 C ASP A 40 -7.829 -6.165 -4.124 1.00 10.00 C ATOM 577 O ASP A 40 -8.004 -4.965 -3.918 1.00 10.00 O ATOM 578 CB ASP A 40 -8.526 -8.024 -2.646 1.00 10.00 C ATOM 579 CG ASP A 40 -8.143 -9.496 -2.485 1.00 10.00 C ATOM 580 OD1 ASP A 40 -7.048 -9.853 -2.971 1.00 10.00 O ATOM 581 OD2 ASP A 40 -8.953 -10.231 -1.881 1.00 10.00 O ATOM 0 H ASP A 40 -7.048 -5.277 -1.989 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.504 -7.679 -3.299 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.984 -7.680 -1.719 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -9.284 -7.945 -3.425 1.00 10.00 H new ATOM 586 N LYS A 41 -8.013 -6.759 -5.294 1.00 10.00 N ATOM 587 CA LYS A 41 -8.451 -6.005 -6.456 1.00 10.00 C ATOM 588 C LYS A 41 -9.494 -4.972 -6.025 1.00 10.00 C ATOM 589 O LYS A 41 -10.217 -5.184 -5.053 1.00 10.00 O ATOM 590 CB LYS A 41 -8.938 -6.950 -7.556 1.00 10.00 C ATOM 591 CG LYS A 41 -7.778 -7.402 -8.445 1.00 10.00 C ATOM 592 CD LYS A 41 -7.940 -8.867 -8.856 1.00 10.00 C ATOM 593 CE LYS A 41 -8.772 -8.989 -10.133 1.00 10.00 C ATOM 594 NZ LYS A 41 -7.952 -8.657 -11.320 1.00 10.00 N ATOM 0 H LYS A 41 -7.867 -7.754 -5.462 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.616 -5.454 -6.889 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -9.417 -7.820 -7.107 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -9.692 -6.449 -8.163 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -7.731 -6.774 -9.335 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -6.836 -7.272 -7.913 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -6.959 -9.315 -9.013 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -8.420 -9.423 -8.051 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -9.161 -10.003 -10.225 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -9.632 -8.321 -10.079 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -8.475 -8.906 -12.184 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -7.743 -7.638 -11.323 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -7.062 -9.193 -11.288 1.00 10.00 H new ATOM 608 N LYS A 42 -9.539 -3.878 -6.770 1.00 10.00 N ATOM 609 CA LYS A 42 -10.482 -2.812 -6.478 1.00 10.00 C ATOM 610 C LYS A 42 -10.094 -2.141 -5.158 1.00 10.00 C ATOM 611 O LYS A 42 -9.660 -0.991 -5.147 1.00 10.00 O ATOM 612 CB LYS A 42 -11.916 -3.344 -6.499 1.00 10.00 C ATOM 613 CG LYS A 42 -12.420 -3.507 -7.934 1.00 10.00 C ATOM 614 CD LYS A 42 -13.364 -4.706 -8.051 1.00 10.00 C ATOM 615 CE LYS A 42 -13.629 -5.054 -9.517 1.00 10.00 C ATOM 616 NZ LYS A 42 -15.052 -5.413 -9.715 1.00 10.00 N ATOM 0 H LYS A 42 -8.938 -3.706 -7.576 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.440 -2.044 -7.251 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.959 -4.303 -5.984 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -12.569 -2.661 -5.956 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -12.938 -2.600 -8.247 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -11.573 -3.639 -8.608 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -12.930 -5.566 -7.542 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -14.306 -4.482 -7.551 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -13.370 -4.206 -10.151 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -12.992 -5.885 -9.821 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -15.215 -5.646 -10.715 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -15.288 -6.236 -9.124 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -15.654 -4.609 -9.445 1.00 10.00 H new ATOM 630 N SER A 43 -10.265 -2.889 -4.079 1.00 10.00 N ATOM 631 CA SER A 43 -9.939 -2.382 -2.756 1.00 10.00 C ATOM 632 C SER A 43 -8.502 -1.855 -2.740 1.00 10.00 C ATOM 633 O SER A 43 -8.282 -0.647 -2.658 1.00 10.00 O ATOM 634 CB SER A 43 -10.119 -3.465 -1.691 1.00 10.00 C ATOM 635 OG SER A 43 -11.292 -3.255 -0.910 1.00 10.00 O ATOM 0 H SER A 43 -10.625 -3.843 -4.093 1.00 10.00 H new ATOM 0 HA SER A 43 -10.623 -1.566 -2.523 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.174 -4.441 -2.172 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.246 -3.480 -1.038 1.00 10.00 H new ATOM 0 HG SER A 43 -11.372 -3.968 -0.242 1.00 10.00 H new ATOM 641 N ALA A 44 -7.563 -2.785 -2.816 1.00 10.00 N ATOM 642 CA ALA A 44 -6.154 -2.429 -2.810 1.00 10.00 C ATOM 643 C ALA A 44 -5.874 -1.457 -3.957 1.00 10.00 C ATOM 644 O ALA A 44 -4.856 -0.767 -3.956 1.00 10.00 O ATOM 645 CB ALA A 44 -5.305 -3.699 -2.903 1.00 10.00 C ATOM 0 H ALA A 44 -7.750 -3.786 -2.882 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.889 -1.927 -1.879 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.248 -3.431 -2.898 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.520 -4.343 -2.051 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.541 -4.228 -3.826 1.00 10.00 H new ATOM 651 N HIS A 45 -6.796 -1.432 -4.909 1.00 10.00 N ATOM 652 CA HIS A 45 -6.660 -0.555 -6.060 1.00 10.00 C ATOM 653 C HIS A 45 -7.363 0.774 -5.778 1.00 10.00 C ATOM 654 O HIS A 45 -7.408 1.652 -6.638 1.00 10.00 O ATOM 655 CB HIS A 45 -7.174 -1.240 -7.328 1.00 10.00 C ATOM 656 CG HIS A 45 -6.108 -1.979 -8.102 1.00 10.00 C ATOM 657 ND1 HIS A 45 -6.364 -2.628 -9.297 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.783 -2.162 -7.840 1.00 10.00 C ATOM 659 CE1 HIS A 45 -5.236 -3.176 -9.726 1.00 10.00 C ATOM 660 NE2 HIS A 45 -4.257 -2.886 -8.821 1.00 10.00 N ATOM 0 H HIS A 45 -7.640 -2.005 -4.907 1.00 10.00 H new ATOM 0 HA HIS A 45 -5.606 -0.339 -6.235 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.963 -1.941 -7.056 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -7.625 -0.489 -7.977 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -7.268 -2.676 -9.768 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -4.251 -1.782 -6.980 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -5.113 -3.751 -10.632 1.00 10.00 H new ATOM 668 N LYS A 46 -7.894 0.881 -4.568 1.00 10.00 N ATOM 669 CA LYS A 46 -8.592 2.088 -4.162 1.00 10.00 C ATOM 670 C LYS A 46 -7.777 2.806 -3.084 1.00 10.00 C ATOM 671 O LYS A 46 -6.589 2.533 -2.915 1.00 10.00 O ATOM 672 CB LYS A 46 -10.024 1.760 -3.733 1.00 10.00 C ATOM 673 CG LYS A 46 -11.039 2.358 -4.709 1.00 10.00 C ATOM 674 CD LYS A 46 -12.464 1.934 -4.348 1.00 10.00 C ATOM 675 CE LYS A 46 -13.470 2.460 -5.372 1.00 10.00 C ATOM 676 NZ LYS A 46 -13.983 1.353 -6.210 1.00 10.00 N ATOM 0 H LYS A 46 -7.854 0.151 -3.856 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.684 2.775 -5.003 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.154 0.679 -3.684 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.205 2.148 -2.731 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.965 3.445 -4.695 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.806 2.036 -5.724 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.523 0.847 -4.301 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.719 2.310 -3.357 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.298 2.950 -4.859 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.996 3.212 -6.003 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.665 1.727 -6.900 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.192 0.904 -6.714 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.453 0.649 -5.606 1.00 10.00 H new ATOM 690 N ASP A 47 -8.447 3.708 -2.383 1.00 10.00 N ATOM 691 CA ASP A 47 -7.799 4.467 -1.327 1.00 10.00 C ATOM 692 C ASP A 47 -6.852 3.547 -0.552 1.00 10.00 C ATOM 693 O ASP A 47 -5.841 4.000 -0.017 1.00 10.00 O ATOM 694 CB ASP A 47 -8.827 5.027 -0.341 1.00 10.00 C ATOM 695 CG ASP A 47 -9.753 6.102 -0.913 1.00 10.00 C ATOM 696 OD1 ASP A 47 -9.931 6.096 -2.150 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.262 6.903 -0.100 1.00 10.00 O ATOM 0 H ASP A 47 -9.432 3.931 -2.525 1.00 10.00 H new ATOM 0 HA ASP A 47 -7.256 5.292 -1.788 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -9.437 4.204 0.031 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.297 5.444 0.516 1.00 10.00 H new ATOM 702 N ALA A 48 -7.215 2.274 -0.514 1.00 10.00 N ATOM 703 CA ALA A 48 -6.411 1.287 0.187 1.00 10.00 C ATOM 704 C ALA A 48 -4.928 1.617 -0.002 1.00 10.00 C ATOM 705 O ALA A 48 -4.225 1.906 0.965 1.00 10.00 O ATOM 706 CB ALA A 48 -6.765 -0.112 -0.318 1.00 10.00 C ATOM 0 H ALA A 48 -8.055 1.903 -0.957 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.621 1.310 1.256 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.162 -0.852 0.208 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -7.821 -0.308 -0.135 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.564 -0.174 -1.388 1.00 10.00 H new ATOM 712 N CYS A 49 -4.497 1.562 -1.254 1.00 10.00 N ATOM 713 CA CYS A 49 -3.111 1.851 -1.582 1.00 10.00 C ATOM 714 C CYS A 49 -3.039 3.268 -2.155 1.00 10.00 C ATOM 715 O CYS A 49 -2.640 4.202 -1.462 1.00 10.00 O ATOM 716 CB CYS A 49 -2.530 0.815 -2.545 1.00 10.00 C ATOM 717 SG CYS A 49 -0.932 0.092 -2.023 1.00 10.00 S ATOM 0 H CYS A 49 -5.083 1.322 -2.053 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.501 1.793 -0.680 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.254 0.009 -2.669 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -2.400 1.281 -3.522 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.080 0.172 -3.001 1.00 10.00 H new ATOM 722 N LYS A 50 -3.430 3.383 -3.416 1.00 10.00 N ATOM 723 CA LYS A 50 -3.414 4.669 -4.090 1.00 10.00 C ATOM 724 C LYS A 50 -3.873 5.756 -3.116 1.00 10.00 C ATOM 725 O LYS A 50 -5.070 5.949 -2.914 1.00 10.00 O ATOM 726 CB LYS A 50 -4.240 4.609 -5.377 1.00 10.00 C ATOM 727 CG LYS A 50 -5.680 4.179 -5.086 1.00 10.00 C ATOM 728 CD LYS A 50 -6.677 5.043 -5.862 1.00 10.00 C ATOM 729 CE LYS A 50 -7.516 5.899 -4.911 1.00 10.00 C ATOM 730 NZ LYS A 50 -8.953 5.786 -5.244 1.00 10.00 N ATOM 0 H LYS A 50 -3.760 2.606 -3.988 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.401 4.924 -4.400 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -4.239 5.586 -5.860 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -3.782 3.908 -6.075 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -5.813 3.132 -5.357 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -5.878 4.259 -4.017 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -6.141 5.687 -6.559 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -7.331 4.405 -6.456 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -7.349 5.580 -3.882 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -7.202 6.941 -4.977 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -9.482 6.539 -4.759 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -9.080 5.881 -6.272 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -9.309 4.859 -4.935 1.00 10.00 H new ATOM 744 N THR A 51 -2.895 6.439 -2.539 1.00 10.00 N ATOM 745 CA THR A 51 -3.182 7.502 -1.591 1.00 10.00 C ATOM 746 C THR A 51 -1.888 8.188 -1.150 1.00 10.00 C ATOM 747 O THR A 51 -1.854 9.404 -0.976 1.00 10.00 O ATOM 748 CB THR A 51 -3.976 6.898 -0.430 1.00 10.00 C ATOM 749 OG1 THR A 51 -4.692 8.004 0.114 1.00 10.00 O ATOM 750 CG2 THR A 51 -3.075 6.436 0.717 1.00 10.00 C ATOM 0 H THR A 51 -1.903 6.277 -2.710 1.00 10.00 H new ATOM 0 HA THR A 51 -3.788 8.285 -2.047 1.00 10.00 H new ATOM 0 HB THR A 51 -4.564 6.055 -0.792 1.00 10.00 H new ATOM 0 HG1 THR A 51 -5.235 7.701 0.872 1.00 10.00 H new ATOM 0 HG21 THR A 51 -3.688 6.016 1.514 1.00 10.00 H new ATOM 0 HG22 THR A 51 -2.383 5.677 0.353 1.00 10.00 H new ATOM 0 HG23 THR A 51 -2.512 7.286 1.102 1.00 10.00 H new ATOM 758 N CYS A 52 -0.854 7.377 -0.981 1.00 10.00 N ATOM 759 CA CYS A 52 0.439 7.890 -0.565 1.00 10.00 C ATOM 760 C CYS A 52 1.377 7.871 -1.774 1.00 10.00 C ATOM 761 O CYS A 52 1.785 8.922 -2.264 1.00 10.00 O ATOM 762 CB CYS A 52 1.010 7.097 0.613 1.00 10.00 C ATOM 763 SG CYS A 52 2.044 8.073 1.766 1.00 10.00 S ATOM 0 H CYS A 52 -0.886 6.368 -1.125 1.00 10.00 H new ATOM 0 HA CYS A 52 0.328 8.914 -0.209 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.184 6.657 1.172 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.606 6.272 0.223 1.00 10.00 H new ATOM 768 N HIS A 53 1.692 6.663 -2.219 1.00 10.00 N ATOM 769 CA HIS A 53 2.574 6.492 -3.361 1.00 10.00 C ATOM 770 C HIS A 53 2.290 7.582 -4.396 1.00 10.00 C ATOM 771 O HIS A 53 3.211 8.240 -4.879 1.00 10.00 O ATOM 772 CB HIS A 53 2.449 5.081 -3.938 1.00 10.00 C ATOM 773 CG HIS A 53 3.252 4.040 -3.195 1.00 10.00 C ATOM 774 ND1 HIS A 53 4.000 3.071 -3.839 1.00 10.00 N ATOM 775 CD2 HIS A 53 3.418 3.829 -1.858 1.00 10.00 C ATOM 776 CE1 HIS A 53 4.585 2.315 -2.922 1.00 10.00 C ATOM 777 NE2 HIS A 53 4.222 2.786 -1.694 1.00 10.00 N ATOM 0 H HIS A 53 1.352 5.793 -1.809 1.00 10.00 H new ATOM 0 HA HIS A 53 3.611 6.601 -3.043 1.00 10.00 H new ATOM 0 HB2 HIS A 53 1.399 4.788 -3.931 1.00 10.00 H new ATOM 0 HB3 HIS A 53 2.769 5.096 -4.980 1.00 10.00 H new ATOM 0 HD1 HIS A 53 4.086 2.958 -4.849 1.00 10.00 H new ATOM 0 HD2 HIS A 53 2.971 4.412 -1.067 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.235 1.474 -3.113 1.00 10.00 H new ATOM 785 N LYS A 54 1.011 7.742 -4.705 1.00 10.00 N ATOM 786 CA LYS A 54 0.594 8.742 -5.674 1.00 10.00 C ATOM 787 C LYS A 54 0.615 10.123 -5.015 1.00 10.00 C ATOM 788 O LYS A 54 -0.429 10.755 -4.860 1.00 10.00 O ATOM 789 CB LYS A 54 -0.759 8.369 -6.280 1.00 10.00 C ATOM 790 CG LYS A 54 -0.734 6.948 -6.846 1.00 10.00 C ATOM 791 CD LYS A 54 -2.085 6.255 -6.649 1.00 10.00 C ATOM 792 CE LYS A 54 -3.109 6.752 -7.671 1.00 10.00 C ATOM 793 NZ LYS A 54 -3.879 7.891 -7.121 1.00 10.00 N ATOM 0 H LYS A 54 0.250 7.196 -4.301 1.00 10.00 H new ATOM 0 HA LYS A 54 1.292 8.777 -6.511 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -1.536 8.448 -5.520 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -1.014 9.075 -7.071 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -0.489 6.980 -7.908 1.00 10.00 H new ATOM 0 HG3 LYS A 54 0.050 6.371 -6.355 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -1.962 5.176 -6.747 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -2.451 6.444 -5.640 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -2.600 7.057 -8.586 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -3.787 5.942 -7.938 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -4.781 7.978 -7.631 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -4.066 7.728 -6.111 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -3.331 8.768 -7.234 1.00 10.00 H new ATOM 807 N SER A 55 1.813 10.550 -4.647 1.00 10.00 N ATOM 808 CA SER A 55 1.982 11.845 -4.009 1.00 10.00 C ATOM 809 C SER A 55 3.467 12.114 -3.758 1.00 10.00 C ATOM 810 O SER A 55 3.969 13.191 -4.078 1.00 10.00 O ATOM 811 CB SER A 55 1.200 11.919 -2.697 1.00 10.00 C ATOM 812 OG SER A 55 1.017 13.262 -2.260 1.00 10.00 O ATOM 0 H SER A 55 2.676 10.023 -4.778 1.00 10.00 H new ATOM 0 HA SER A 55 1.588 12.610 -4.678 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.227 11.444 -2.827 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.729 11.356 -1.928 1.00 10.00 H new ATOM 0 HG SER A 55 0.512 13.267 -1.420 1.00 10.00 H new ATOM 818 N ASN A 56 4.128 11.117 -3.188 1.00 10.00 N ATOM 819 CA ASN A 56 5.546 11.233 -2.890 1.00 10.00 C ATOM 820 C ASN A 56 6.349 10.465 -3.941 1.00 10.00 C ATOM 821 O ASN A 56 7.133 11.055 -4.682 1.00 10.00 O ATOM 822 CB ASN A 56 5.871 10.637 -1.518 1.00 10.00 C ATOM 823 CG ASN A 56 7.227 11.134 -1.013 1.00 10.00 C ATOM 824 OD1 ASN A 56 7.335 12.157 -0.354 1.00 10.00 O ATOM 825 ND2 ASN A 56 8.250 10.357 -1.354 1.00 10.00 N ATOM 0 H ASN A 56 3.708 10.225 -2.925 1.00 10.00 H new ATOM 0 HA ASN A 56 5.806 12.292 -2.894 1.00 10.00 H new ATOM 0 HB2 ASN A 56 5.092 10.908 -0.806 1.00 10.00 H new ATOM 0 HB3 ASN A 56 5.879 9.549 -1.583 1.00 10.00 H new ATOM 0 HD21 ASN A 56 9.196 10.603 -1.063 1.00 10.00 H new ATOM 0 HD22 ASN A 56 8.089 9.515 -1.907 1.00 10.00 H new ATOM 832 N ASN A 57 6.124 9.159 -3.974 1.00 10.00 N ATOM 833 CA ASN A 57 6.816 8.304 -4.923 1.00 10.00 C ATOM 834 C ASN A 57 6.842 8.986 -6.292 1.00 10.00 C ATOM 835 O ASN A 57 6.100 9.936 -6.531 1.00 10.00 O ATOM 836 CB ASN A 57 6.100 6.961 -5.077 1.00 10.00 C ATOM 837 CG ASN A 57 6.856 5.850 -4.344 1.00 10.00 C ATOM 838 OD1 ASN A 57 7.414 6.043 -3.277 1.00 10.00 O ATOM 839 ND2 ASN A 57 6.842 4.679 -4.975 1.00 10.00 N ATOM 0 H ASN A 57 5.472 8.673 -3.358 1.00 10.00 H new ATOM 0 HA ASN A 57 7.826 8.134 -4.550 1.00 10.00 H new ATOM 0 HB2 ASN A 57 5.087 7.038 -4.683 1.00 10.00 H new ATOM 0 HB3 ASN A 57 6.013 6.710 -6.134 1.00 10.00 H new ATOM 0 HD21 ASN A 57 7.318 3.874 -4.567 1.00 10.00 H new ATOM 0 HD22 ASN A 57 6.355 4.586 -5.867 1.00 10.00 H new ATOM 846 N GLY A 58 7.706 8.474 -7.156 1.00 10.00 N ATOM 847 CA GLY A 58 7.840 9.021 -8.496 1.00 10.00 C ATOM 848 C GLY A 58 6.664 8.599 -9.379 1.00 10.00 C ATOM 849 O GLY A 58 5.978 9.445 -9.951 1.00 10.00 O ATOM 0 H GLY A 58 8.321 7.686 -6.954 1.00 10.00 H new ATOM 0 HA2 GLY A 58 7.890 10.109 -8.446 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.775 8.679 -8.941 1.00 10.00 H new ATOM 853 N PRO A 59 6.463 7.256 -9.467 1.00 10.00 N ATOM 854 CA PRO A 59 5.383 6.712 -10.272 1.00 10.00 C ATOM 855 C PRO A 59 4.033 6.904 -9.579 1.00 10.00 C ATOM 856 O PRO A 59 3.976 7.364 -8.438 1.00 10.00 O ATOM 857 CB PRO A 59 5.744 5.250 -10.477 1.00 10.00 C ATOM 858 CG PRO A 59 6.762 4.917 -9.399 1.00 10.00 C ATOM 859 CD PRO A 59 7.257 6.226 -8.804 1.00 10.00 C ATOM 0 HA PRO A 59 5.275 7.220 -11.231 1.00 10.00 H new ATOM 0 HB2 PRO A 59 4.863 4.614 -10.392 1.00 10.00 H new ATOM 0 HB3 PRO A 59 6.160 5.086 -11.471 1.00 10.00 H new ATOM 0 HG2 PRO A 59 6.311 4.294 -8.627 1.00 10.00 H new ATOM 0 HG3 PRO A 59 7.593 4.351 -9.820 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.114 6.249 -7.724 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.322 6.367 -8.988 1.00 10.00 H new ATOM 867 N THR A 60 2.979 6.543 -10.295 1.00 10.00 N ATOM 868 CA THR A 60 1.633 6.670 -9.764 1.00 10.00 C ATOM 869 C THR A 60 0.778 5.473 -10.186 1.00 10.00 C ATOM 870 O THR A 60 0.063 4.896 -9.366 1.00 10.00 O ATOM 871 CB THR A 60 1.066 8.014 -10.225 1.00 10.00 C ATOM 872 OG1 THR A 60 1.218 8.863 -9.091 1.00 10.00 O ATOM 873 CG2 THR A 60 -0.446 7.964 -10.454 1.00 10.00 C ATOM 0 H THR A 60 3.030 6.162 -11.240 1.00 10.00 H new ATOM 0 HA THR A 60 1.636 6.660 -8.674 1.00 10.00 H new ATOM 0 HB THR A 60 1.562 8.320 -11.146 1.00 10.00 H new ATOM 0 HG1 THR A 60 0.877 9.757 -9.303 1.00 10.00 H new ATOM 0 HG21 THR A 60 -0.797 8.943 -10.780 1.00 10.00 H new ATOM 0 HG22 THR A 60 -0.674 7.223 -11.221 1.00 10.00 H new ATOM 0 HG23 THR A 60 -0.946 7.690 -9.525 1.00 10.00 H new ATOM 881 N LYS A 61 0.880 5.135 -11.462 1.00 10.00 N ATOM 882 CA LYS A 61 0.124 4.017 -12.003 1.00 10.00 C ATOM 883 C LYS A 61 1.096 2.954 -12.520 1.00 10.00 C ATOM 884 O LYS A 61 2.042 3.271 -13.240 1.00 10.00 O ATOM 885 CB LYS A 61 -0.874 4.503 -13.055 1.00 10.00 C ATOM 886 CG LYS A 61 -0.280 4.400 -14.462 1.00 10.00 C ATOM 887 CD LYS A 61 -1.243 4.969 -15.506 1.00 10.00 C ATOM 888 CE LYS A 61 -0.722 6.295 -16.066 1.00 10.00 C ATOM 889 NZ LYS A 61 -1.444 6.652 -17.309 1.00 10.00 N ATOM 0 H LYS A 61 1.474 5.615 -12.138 1.00 10.00 H new ATOM 0 HA LYS A 61 -0.476 3.549 -11.223 1.00 10.00 H new ATOM 0 HB2 LYS A 61 -1.787 3.910 -12.997 1.00 10.00 H new ATOM 0 HB3 LYS A 61 -1.152 5.537 -12.848 1.00 10.00 H new ATOM 0 HG2 LYS A 61 0.666 4.940 -14.502 1.00 10.00 H new ATOM 0 HG3 LYS A 61 -0.062 3.357 -14.693 1.00 10.00 H new ATOM 0 HD2 LYS A 61 -1.371 4.252 -16.317 1.00 10.00 H new ATOM 0 HD3 LYS A 61 -2.225 5.120 -15.057 1.00 10.00 H new ATOM 0 HE2 LYS A 61 -0.849 7.084 -15.325 1.00 10.00 H new ATOM 0 HE3 LYS A 61 0.346 6.217 -16.269 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 -1.079 7.554 -17.676 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 -1.302 5.906 -18.020 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 -2.459 6.747 -17.106 1.00 10.00 H new ATOM 903 N CYS A 62 0.829 1.716 -12.135 1.00 10.00 N ATOM 904 CA CYS A 62 1.667 0.604 -12.551 1.00 10.00 C ATOM 905 C CYS A 62 3.043 0.772 -11.904 1.00 10.00 C ATOM 906 O CYS A 62 3.355 0.106 -10.918 1.00 10.00 O ATOM 907 CB CYS A 62 1.761 0.507 -14.075 1.00 10.00 C ATOM 908 SG CYS A 62 0.162 0.249 -14.928 1.00 10.00 S ATOM 0 H CYS A 62 0.043 1.457 -11.538 1.00 10.00 H new ATOM 0 HA CYS A 62 1.223 -0.334 -12.219 1.00 10.00 H new ATOM 0 HB2 CYS A 62 2.216 1.421 -14.456 1.00 10.00 H new ATOM 0 HB3 CYS A 62 2.431 -0.314 -14.332 1.00 10.00 H new ATOM 0 HG CYS A 62 0.013 -1.014 -15.197 1.00 10.00 H new ATOM 913 N GLY A 63 3.829 1.666 -12.485 1.00 10.00 N ATOM 914 CA GLY A 63 5.164 1.930 -11.977 1.00 10.00 C ATOM 915 C GLY A 63 5.137 2.193 -10.470 1.00 10.00 C ATOM 916 O GLY A 63 6.155 2.059 -9.793 1.00 10.00 O ATOM 0 H GLY A 63 3.567 2.217 -13.303 1.00 10.00 H new ATOM 0 HA2 GLY A 63 5.812 1.080 -12.190 1.00 10.00 H new ATOM 0 HA3 GLY A 63 5.589 2.791 -12.492 1.00 10.00 H new ATOM 920 N GLY A 64 3.959 2.563 -9.988 1.00 10.00 N ATOM 921 CA GLY A 64 3.784 2.846 -8.574 1.00 10.00 C ATOM 922 C GLY A 64 4.032 1.595 -7.729 1.00 10.00 C ATOM 923 O GLY A 64 5.169 1.304 -7.360 1.00 10.00 O ATOM 0 H GLY A 64 3.116 2.673 -10.552 1.00 10.00 H new ATOM 0 HA2 GLY A 64 4.470 3.636 -8.270 1.00 10.00 H new ATOM 0 HA3 GLY A 64 2.774 3.215 -8.396 1.00 10.00 H new ATOM 927 N CYS A 65 2.947 0.886 -7.448 1.00 10.00 N ATOM 928 CA CYS A 65 3.032 -0.328 -6.654 1.00 10.00 C ATOM 929 C CYS A 65 3.803 -1.376 -7.459 1.00 10.00 C ATOM 930 O CYS A 65 4.845 -1.859 -7.020 1.00 10.00 O ATOM 931 CB CYS A 65 1.648 -0.830 -6.240 1.00 10.00 C ATOM 932 SG CYS A 65 0.862 0.113 -4.884 1.00 10.00 S ATOM 0 H CYS A 65 2.006 1.129 -7.756 1.00 10.00 H new ATOM 0 HA CYS A 65 3.564 -0.122 -5.725 1.00 10.00 H new ATOM 0 HB2 CYS A 65 0.992 -0.803 -7.110 1.00 10.00 H new ATOM 0 HB3 CYS A 65 1.732 -1.874 -5.937 1.00 10.00 H new ATOM 937 N HIS A 66 3.260 -1.697 -8.625 1.00 10.00 N ATOM 938 CA HIS A 66 3.884 -2.679 -9.496 1.00 10.00 C ATOM 939 C HIS A 66 5.258 -2.171 -9.941 1.00 10.00 C ATOM 940 O HIS A 66 5.452 -0.971 -10.120 1.00 10.00 O ATOM 941 CB HIS A 66 2.969 -3.019 -10.674 1.00 10.00 C ATOM 942 CG HIS A 66 1.705 -3.744 -10.279 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.564 -5.117 -10.382 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.526 -3.273 -9.778 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.351 -5.446 -9.961 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.291 -4.301 -9.588 1.00 10.00 N ATOM 0 H HIS A 66 2.395 -1.294 -8.986 1.00 10.00 H new ATOM 0 HA HIS A 66 4.038 -3.609 -8.949 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.701 -2.097 -11.191 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.522 -3.634 -11.385 1.00 10.00 H new ATOM 0 HD1 HIS A 66 2.273 -5.766 -10.724 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.297 -2.238 -9.571 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.058 -6.445 -9.920 1.00 10.00 H new ATOM 954 N ILE A 67 6.175 -3.112 -10.105 1.00 10.00 N ATOM 955 CA ILE A 67 7.525 -2.777 -10.525 1.00 10.00 C ATOM 956 C ILE A 67 7.999 -3.794 -11.565 1.00 10.00 C ATOM 957 O ILE A 67 8.820 -4.659 -11.263 1.00 10.00 O ATOM 958 CB ILE A 67 8.451 -2.660 -9.312 1.00 10.00 C ATOM 959 CG1 ILE A 67 7.995 -1.534 -8.381 1.00 10.00 C ATOM 960 CG2 ILE A 67 9.906 -2.490 -9.748 1.00 10.00 C ATOM 961 CD1 ILE A 67 8.720 -1.608 -7.036 1.00 10.00 C ATOM 0 H ILE A 67 6.010 -4.107 -9.955 1.00 10.00 H new ATOM 0 HA ILE A 67 7.542 -1.799 -11.005 1.00 10.00 H new ATOM 0 HB ILE A 67 8.392 -3.589 -8.746 1.00 10.00 H new ATOM 0 HG12 ILE A 67 8.188 -0.569 -8.850 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.919 -1.602 -8.222 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.543 -2.409 -8.867 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.212 -3.353 -10.339 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.002 -1.586 -10.349 1.00 10.00 H new ATOM 0 HD11 ILE A 67 8.378 -0.797 -6.393 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.505 -2.564 -6.559 1.00 10.00 H new ATOM 0 HD13 ILE A 67 9.794 -1.516 -7.196 1.00 10.00 H new ATOM 973 N LYS A 68 7.462 -3.656 -12.767 1.00 10.00 N ATOM 974 CA LYS A 68 7.821 -4.553 -13.854 1.00 10.00 C ATOM 975 C LYS A 68 7.470 -3.893 -15.190 1.00 10.00 C ATOM 976 O LYS A 68 7.441 -2.668 -15.293 1.00 10.00 O ATOM 977 CB LYS A 68 7.171 -5.923 -13.654 1.00 10.00 C ATOM 978 CG LYS A 68 7.862 -6.988 -14.509 1.00 10.00 C ATOM 979 CD LYS A 68 8.532 -8.045 -13.629 1.00 10.00 C ATOM 980 CE LYS A 68 9.578 -8.833 -14.420 1.00 10.00 C ATOM 981 NZ LYS A 68 10.812 -8.034 -14.585 1.00 10.00 N ATOM 0 H LYS A 68 6.781 -2.937 -13.014 1.00 10.00 H new ATOM 0 HA LYS A 68 8.896 -4.735 -13.861 1.00 10.00 H new ATOM 0 HB2 LYS A 68 7.224 -6.205 -12.602 1.00 10.00 H new ATOM 0 HB3 LYS A 68 6.114 -5.870 -13.917 1.00 10.00 H new ATOM 0 HG2 LYS A 68 7.132 -7.464 -15.164 1.00 10.00 H new ATOM 0 HG3 LYS A 68 8.607 -6.518 -15.151 1.00 10.00 H new ATOM 0 HD2 LYS A 68 9.005 -7.564 -12.773 1.00 10.00 H new ATOM 0 HD3 LYS A 68 7.778 -8.727 -13.236 1.00 10.00 H new ATOM 0 HE2 LYS A 68 9.807 -9.765 -13.903 1.00 10.00 H new ATOM 0 HE3 LYS A 68 9.178 -9.101 -15.398 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 11.576 -8.644 -14.939 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 10.640 -7.265 -15.264 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 11.089 -7.630 -13.668 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -7.380 1.213 -12.440 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.687 -1.532 9.344 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.770 -4.164 8.822 1.00 10.00 C HETATM 999 CHB HEC A 98 -2.489 -1.604 12.643 1.00 10.00 C HETATM 1000 CHC HEC A 98 0.745 0.702 9.908 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.398 -1.085 6.068 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.878 -2.651 10.442 1.00 10.00 N HETATM 1003 C1A HEC A 98 -3.675 -3.681 10.120 1.00 10.00 C HETATM 1004 C2A HEC A 98 -4.157 -4.418 11.313 1.00 10.00 C HETATM 1005 C3A HEC A 98 -3.804 -3.662 12.353 1.00 10.00 C HETATM 1006 C4A HEC A 98 -3.007 -2.602 11.918 1.00 10.00 C HETATM 1007 CMA HEC A 98 -4.105 -3.988 13.866 1.00 10.00 C HETATM 1008 CAA HEC A 98 -5.061 -5.612 11.195 1.00 10.00 C HETATM 1009 CBA HEC A 98 -4.252 -6.809 10.598 1.00 10.00 C HETATM 1010 CGA HEC A 98 -3.867 -7.946 11.532 1.00 10.00 C HETATM 1011 O1A HEC A 98 -2.654 -8.012 11.762 1.00 10.00 O HETATM 1012 O2A HEC A 98 -4.742 -8.704 12.005 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.992 -0.601 10.976 1.00 10.00 N HETATM 1014 C1B HEC A 98 -1.610 -0.615 12.220 1.00 10.00 C HETATM 1015 C2B HEC A 98 -0.822 0.283 13.059 1.00 10.00 C HETATM 1016 C3B HEC A 98 0.142 0.901 12.333 1.00 10.00 C HETATM 1017 C4B HEC A 98 -0.044 0.349 11.018 1.00 10.00 C HETATM 1018 CMB HEC A 98 -1.218 0.561 14.554 1.00 10.00 C HETATM 1019 CAB HEC A 98 1.147 1.964 12.694 1.00 10.00 C HETATM 1020 CBB HEC A 98 2.356 1.444 13.491 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.550 -0.410 8.157 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.430 0.471 8.500 1.00 10.00 C HETATM 1023 C2C HEC A 98 1.032 1.213 7.464 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.458 0.673 6.369 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.580 -0.264 6.790 1.00 10.00 C HETATM 1026 CMC HEC A 98 2.111 2.250 7.538 1.00 10.00 C HETATM 1027 CAC HEC A 98 0.488 1.120 4.874 1.00 10.00 C HETATM 1028 CBC HEC A 98 0.991 -0.009 3.947 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.445 -2.440 7.727 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.206 -2.108 6.399 1.00 10.00 C HETATM 1031 C2D HEC A 98 -2.896 -2.978 5.564 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.541 -3.870 6.334 1.00 10.00 C HETATM 1033 C4D HEC A 98 -3.191 -3.576 7.722 1.00 10.00 C HETATM 1034 CMD HEC A 98 -2.852 -2.981 3.969 1.00 10.00 C HETATM 1035 CAD HEC A 98 -4.320 -5.105 5.815 1.00 10.00 C HETATM 1036 CBD HEC A 98 -3.410 -6.222 5.361 1.00 10.00 C HETATM 1037 CGD HEC A 98 -4.040 -7.433 4.697 1.00 10.00 C HETATM 1038 O1D HEC A 98 -4.727 -7.225 3.661 1.00 10.00 O HETATM 1039 O2D HEC A 98 -3.945 -8.494 5.354 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.204 -2.020 3.594 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -1.829 -3.149 3.634 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -3.494 -3.776 3.589 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.777 3.079 8.162 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 3.010 1.810 7.970 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 2.332 2.617 6.536 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -2.217 0.996 14.591 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 -1.209 -0.375 15.113 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 -0.503 1.255 14.997 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -5.182 -4.056 14.016 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -3.641 -4.937 14.133 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -3.700 -3.196 14.496 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -2.685 -5.800 4.665 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -2.852 -6.571 6.230 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 2.001 -0.296 4.238 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 0.330 -0.872 4.033 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 0.997 0.343 2.915 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 2.012 0.999 14.425 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 2.883 0.692 12.903 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 3.031 2.272 13.710 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -4.835 -7.232 9.780 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -3.336 -6.409 10.163 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -4.975 -5.474 6.604 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -4.959 -4.803 4.985 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -5.461 -5.879 12.173 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -5.912 -5.377 10.556 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.396 -0.865 5.000 1.00 10.00 H new HETATM 0 HHC HEC A 98 1.691 1.200 10.121 1.00 10.00 H new HETATM 0 HHB HEC A 98 -2.793 -1.562 13.689 1.00 10.00 H new HETATM 0 HHA HEC A 98 -4.346 -5.076 8.663 1.00 10.00 H new HETATM 0 HAC HEC A 98 0.190 2.109 4.526 1.00 10.00 H new HETATM 0 HAB HEC A 98 1.028 3.011 12.415 1.00 10.00 H new HETATM 0 H2D HEC A 98 -4.504 -9.185 4.942 1.00 10.00 H new HETATM 0 H2A HEC A 98 -4.314 -9.498 12.389 1.00 10.00 H new HETATM 1072 FE HEC A 128 4.978 2.046 0.176 1.00 10.00 FE HETATM 1073 CHA HEC A 128 8.351 2.301 -0.144 1.00 10.00 C HETATM 1074 CHB HEC A 128 5.048 -0.745 -1.758 1.00 10.00 C HETATM 1075 CHC HEC A 128 1.757 1.530 0.933 1.00 10.00 C HETATM 1076 CHD HEC A 128 4.856 5.075 1.523 1.00 10.00 C HETATM 1077 NA HEC A 128 6.408 1.042 -0.735 1.00 10.00 N HETATM 1078 C1A HEC A 128 7.733 1.244 -0.799 1.00 10.00 C HETATM 1079 C2A HEC A 128 8.459 0.071 -1.342 1.00 10.00 C HETATM 1080 C3A HEC A 128 7.507 -0.741 -1.803 1.00 10.00 C HETATM 1081 C4A HEC A 128 6.251 -0.246 -1.449 1.00 10.00 C HETATM 1082 CMA HEC A 128 7.752 -2.129 -2.508 1.00 10.00 C HETATM 1083 CAA HEC A 128 9.952 0.068 -1.501 1.00 10.00 C HETATM 1084 CBA HEC A 128 10.615 -0.145 -0.101 1.00 10.00 C HETATM 1085 CGA HEC A 128 11.896 -0.962 -0.034 1.00 10.00 C HETATM 1086 O1A HEC A 128 12.923 -0.294 -0.205 1.00 10.00 O HETATM 1087 O2A HEC A 128 11.854 -2.191 0.192 1.00 10.00 O HETATM 1088 NB HEC A 128 3.629 0.652 -0.324 1.00 10.00 N HETATM 1089 C1B HEC A 128 3.808 -0.306 -1.314 1.00 10.00 C HETATM 1090 C2B HEC A 128 2.535 -1.016 -1.405 1.00 10.00 C HETATM 1091 C3B HEC A 128 1.601 -0.441 -0.608 1.00 10.00 C HETATM 1092 C4B HEC A 128 2.327 0.638 0.007 1.00 10.00 C HETATM 1093 CMB HEC A 128 2.320 -2.175 -2.445 1.00 10.00 C HETATM 1094 CAB HEC A 128 0.136 -0.727 -0.407 1.00 10.00 C HETATM 1095 CBB HEC A 128 -0.152 -1.894 0.550 1.00 10.00 C HETATM 1096 NC HEC A 128 3.587 3.145 1.076 1.00 10.00 N HETATM 1097 C1C HEC A 128 2.290 2.827 1.344 1.00 10.00 C HETATM 1098 C2C HEC A 128 1.478 3.825 1.920 1.00 10.00 C HETATM 1099 C3C HEC A 128 2.368 4.817 2.131 1.00 10.00 C HETATM 1100 C4C HEC A 128 3.648 4.441 1.536 1.00 10.00 C HETATM 1101 CMC HEC A 128 0.032 3.770 2.306 1.00 10.00 C HETATM 1102 CAC HEC A 128 2.160 6.303 2.557 1.00 10.00 C HETATM 1103 CBC HEC A 128 1.053 6.446 3.626 1.00 10.00 C HETATM 1104 ND HEC A 128 6.341 3.449 0.609 1.00 10.00 N HETATM 1105 C1D HEC A 128 6.101 4.690 1.187 1.00 10.00 C HETATM 1106 C2D HEC A 128 7.298 5.376 1.345 1.00 10.00 C HETATM 1107 C3D HEC A 128 8.292 4.586 0.907 1.00 10.00 C HETATM 1108 C4D HEC A 128 7.689 3.317 0.506 1.00 10.00 C HETATM 1109 CMD HEC A 128 7.476 6.812 2.019 1.00 10.00 C HETATM 1110 CAD HEC A 128 9.804 4.898 1.026 1.00 10.00 C HETATM 1111 CBD HEC A 128 10.287 4.920 2.457 1.00 10.00 C HETATM 1112 CGD HEC A 128 11.783 4.883 2.710 1.00 10.00 C HETATM 1113 O1D HEC A 128 12.383 5.990 2.765 1.00 10.00 O HETATM 1114 O2D HEC A 128 12.288 3.737 2.669 1.00 10.00 O HETATM 0 HMD3 HEC A 128 6.894 7.548 1.465 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 7.127 6.775 3.051 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 8.529 7.094 2.001 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -0.572 3.554 1.425 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -0.117 2.986 3.049 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -0.269 4.730 2.726 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 2.464 -1.790 -3.454 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 3.038 -2.972 -2.255 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 1.308 -2.568 -2.348 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 8.351 -1.980 -3.407 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 8.281 -2.795 -1.826 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 6.794 -2.573 -2.780 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 9.892 5.820 2.928 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 9.841 4.069 2.972 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 0.111 6.070 3.227 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 1.326 5.872 4.512 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 0.940 7.496 3.895 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 0.301 -2.805 0.159 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 0.268 -1.672 1.531 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -1.229 -2.034 0.640 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 10.823 0.837 0.323 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 9.880 -0.623 0.547 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 10.369 4.151 0.468 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 10.008 5.864 0.564 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 10.256 -0.724 -2.185 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 10.286 1.010 -1.936 1.00 10.00 H new HETATM 0 HHD HEC A 128 4.801 6.112 1.855 1.00 10.00 H new HETATM 0 HHC HEC A 128 0.818 1.221 1.393 1.00 10.00 H new HETATM 0 HHB HEC A 128 5.041 -1.596 -2.438 1.00 10.00 H new HETATM 0 HHA HEC A 128 9.441 2.328 -0.145 1.00 10.00 H new HETATM 0 HAB HEC A 128 -0.652 -0.156 -0.898 1.00 10.00 H new HETATM 0 H2D HEC A 128 13.265 3.809 2.684 1.00 10.00 H new HETATM 0 H2A HEC A 128 12.722 -2.593 -0.021 1.00 10.00 H new HETATM 1147 FE HEC A 158 -2.234 -3.551 -9.209 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -3.141 -6.489 -7.762 1.00 10.00 C HETATM 1149 CHB HEC A 158 -2.329 -5.066 -12.246 1.00 10.00 C HETATM 1150 CHC HEC A 158 -1.854 -0.545 -10.635 1.00 10.00 C HETATM 1151 CHD HEC A 158 -1.550 -2.270 -6.225 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.643 -5.379 -9.818 1.00 10.00 N HETATM 1153 C1A HEC A 158 -2.991 -6.485 -9.142 1.00 10.00 C HETATM 1154 C2A HEC A 158 -3.498 -7.557 -10.032 1.00 10.00 C HETATM 1155 C3A HEC A 158 -3.232 -7.135 -11.268 1.00 10.00 C HETATM 1156 C4A HEC A 158 -2.748 -5.826 -11.228 1.00 10.00 C HETATM 1157 CMA HEC A 158 -3.551 -7.926 -12.593 1.00 10.00 C HETATM 1158 CAA HEC A 158 -3.950 -8.884 -9.494 1.00 10.00 C HETATM 1159 CBA HEC A 158 -2.928 -9.986 -9.924 1.00 10.00 C HETATM 1160 CGA HEC A 158 -3.386 -11.436 -9.892 1.00 10.00 C HETATM 1161 O1A HEC A 158 -4.609 -11.574 -9.999 1.00 10.00 O HETATM 1162 O2A HEC A 158 -2.554 -12.362 -9.781 1.00 10.00 O HETATM 1163 NB HEC A 158 -2.104 -2.907 -11.100 1.00 10.00 N HETATM 1164 C1B HEC A 158 -1.951 -3.730 -12.209 1.00 10.00 C HETATM 1165 C2B HEC A 158 -1.782 -2.829 -13.346 1.00 10.00 C HETATM 1166 C3B HEC A 158 -1.710 -1.539 -12.933 1.00 10.00 C HETATM 1167 C4B HEC A 158 -1.863 -1.650 -11.507 1.00 10.00 C HETATM 1168 CMB HEC A 158 -1.554 -3.382 -14.799 1.00 10.00 C HETATM 1169 CAB HEC A 158 -1.458 -0.256 -13.682 1.00 10.00 C HETATM 1170 CBB HEC A 158 -2.555 0.806 -13.502 1.00 10.00 C HETATM 1171 NC HEC A 158 -1.780 -1.747 -8.507 1.00 10.00 N HETATM 1172 C1C HEC A 158 -1.659 -0.573 -9.188 1.00 10.00 C HETATM 1173 C2C HEC A 158 -1.238 0.561 -8.465 1.00 10.00 C HETATM 1174 C3C HEC A 158 -1.197 0.084 -7.203 1.00 10.00 C HETATM 1175 C4C HEC A 158 -1.444 -1.356 -7.233 1.00 10.00 C HETATM 1176 CMC HEC A 158 -1.005 1.961 -8.942 1.00 10.00 C HETATM 1177 CAC HEC A 158 -0.630 0.711 -5.891 1.00 10.00 C HETATM 1178 CBC HEC A 158 -0.985 2.210 -5.770 1.00 10.00 C HETATM 1179 ND HEC A 158 -2.315 -4.240 -7.328 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.982 -3.544 -6.173 1.00 10.00 C HETATM 1181 C2D HEC A 158 -2.184 -4.351 -5.062 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.666 -5.531 -5.485 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.824 -5.437 -6.934 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.977 -3.920 -3.539 1.00 10.00 C HETATM 1185 CAD HEC A 158 -3.160 -6.678 -4.569 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.616 -8.028 -4.976 1.00 10.00 C HETATM 1187 CGD HEC A 158 -3.575 -9.032 -5.589 1.00 10.00 C HETATM 1188 O1D HEC A 158 -4.796 -8.717 -5.614 1.00 10.00 O HETATM 1189 O2D HEC A 158 -3.064 -10.144 -5.851 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.941 -3.619 -3.384 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -2.637 -3.085 -3.304 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -2.212 -4.762 -2.888 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 -0.233 1.959 -9.712 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -1.930 2.363 -9.356 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 -0.682 2.581 -8.106 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 -0.646 -3.985 -14.821 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -2.405 -3.997 -15.092 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 -1.453 -2.548 -15.494 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -3.025 -8.881 -12.582 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -4.624 -8.104 -12.661 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -3.225 -7.342 -13.453 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -1.809 -7.861 -5.689 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -2.172 -8.488 -4.093 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 -0.565 2.753 -6.617 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -2.069 2.328 -5.764 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 -0.572 2.608 -4.843 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -3.506 0.410 -13.858 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -2.642 1.064 -12.447 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -2.296 1.697 -14.074 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -2.602 -9.761 -10.940 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -2.052 -9.898 -9.281 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -2.866 -6.468 -3.541 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.249 -6.709 -4.589 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.024 -8.844 -8.407 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -4.943 -9.124 -9.872 1.00 10.00 H new HETATM 0 HHD HEC A 158 -1.215 -1.889 -5.260 1.00 10.00 H new HETATM 0 HHC HEC A 158 -2.009 0.435 -11.087 1.00 10.00 H new HETATM 0 HHB HEC A 158 -2.278 -5.553 -13.220 1.00 10.00 H new HETATM 0 HHA HEC A 158 -3.539 -7.392 -7.300 1.00 10.00 H new HETATM 0 HAB HEC A 158 -0.574 -0.095 -14.299 1.00 10.00 H new HETATM 0 H2D HEC A 158 -3.770 -10.780 -6.091 1.00 10.00 H new HETATM 0 H2A HEC A 158 -2.094 -12.287 -8.919 1.00 10.00 H new