USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 27 HIS : no HD1:sc= -4.6! C(o=-4.5!,f=-8.5!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 159:sc= 0.145 (180deg=-1.29!) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -9.29! C(o=-8.5!,f=-21!) USER MOD Set 2.2: A 20 SER OG : rot -149:sc= 0.778 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 13 GLN : amide:sc= -1.11! C(o=-1.1!,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0743 (180deg=-0.482) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 62:sc= 1.09 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -65:sc= 0.2 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.02 X(o=-1,f=-0.52) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.55 K(o=-1.6,f=-3.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.85 USER MOD Single : A 72 LYS NZ :NH3+ -154:sc=-3.14e-06 (180deg=-0.828) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-4.6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.348 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.337 (180deg=-1.2) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -1.84 (180deg=-1.84) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -3.1! (180deg=-3.1!) USER MOD Single : A 95 HEM CMD :methyl 150:sc=-0.00161 (180deg=-0.00161) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.715 13.874 -27.685 1.00 0.00 N ATOM 2 CA VAL A 4 14.278 14.401 -26.402 1.00 0.00 C ATOM 3 C VAL A 4 15.504 14.707 -25.540 1.00 0.00 C ATOM 4 O VAL A 4 16.534 14.045 -25.660 1.00 0.00 O ATOM 5 CB VAL A 4 13.309 13.422 -25.738 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.627 13.260 -24.250 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.859 13.863 -25.943 1.00 0.00 C ATOM 0 HA VAL A 4 13.733 15.335 -26.536 1.00 0.00 H new ATOM 0 HB VAL A 4 13.435 12.450 -26.215 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.923 12.559 -23.802 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.642 12.880 -24.134 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.543 14.226 -23.753 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.190 13.150 -25.461 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.714 14.850 -25.505 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.638 13.904 -27.010 1.00 0.00 H new ATOM 17 N LYS A 5 15.352 15.710 -24.687 1.00 0.00 N ATOM 18 CA LYS A 5 16.434 16.112 -23.804 1.00 0.00 C ATOM 19 C LYS A 5 16.296 15.376 -22.469 1.00 0.00 C ATOM 20 O LYS A 5 15.202 15.289 -21.914 1.00 0.00 O ATOM 21 CB LYS A 5 16.475 17.635 -23.665 1.00 0.00 C ATOM 22 CG LYS A 5 17.878 18.174 -23.949 1.00 0.00 C ATOM 23 CD LYS A 5 17.912 18.950 -25.267 1.00 0.00 C ATOM 24 CE LYS A 5 17.068 20.224 -25.174 1.00 0.00 C ATOM 25 NZ LYS A 5 17.936 21.408 -24.989 1.00 0.00 N ATOM 0 H LYS A 5 14.496 16.256 -24.589 1.00 0.00 H new ATOM 0 HA LYS A 5 17.397 15.828 -24.228 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.762 18.086 -24.355 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.169 17.920 -22.659 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.194 18.823 -23.133 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.587 17.347 -23.991 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.942 19.209 -25.515 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.539 18.320 -26.074 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.473 20.340 -26.080 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.369 20.144 -24.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.348 22.264 -24.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.485 21.302 -24.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.586 21.492 -25.797 1.00 0.00 H new ATOM 39 N TYR A 6 17.422 14.866 -21.993 1.00 0.00 N ATOM 40 CA TYR A 6 17.441 14.141 -20.733 1.00 0.00 C ATOM 41 C TYR A 6 17.699 15.088 -19.559 1.00 0.00 C ATOM 42 O TYR A 6 18.849 15.386 -19.239 1.00 0.00 O ATOM 43 CB TYR A 6 18.600 13.148 -20.836 1.00 0.00 C ATOM 44 CG TYR A 6 18.269 11.887 -21.638 1.00 0.00 C ATOM 45 CD1 TYR A 6 17.031 11.291 -21.507 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.209 11.346 -22.492 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.720 10.104 -22.262 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.898 10.159 -23.246 1.00 0.00 C ATOM 49 CZ TYR A 6 17.669 9.598 -23.094 1.00 0.00 C ATOM 50 OH TYR A 6 17.375 8.477 -23.807 1.00 0.00 O ATOM 0 H TYR A 6 18.328 14.940 -22.456 1.00 0.00 H new ATOM 0 HA TYR A 6 16.484 13.650 -20.558 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.452 13.647 -21.298 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.906 12.857 -19.831 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.296 11.714 -20.839 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.177 11.813 -22.595 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.755 9.627 -22.169 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.624 9.725 -23.917 1.00 0.00 H new ATOM 0 HH TYR A 6 18.145 8.230 -24.360 1.00 0.00 H new ATOM 60 N TYR A 7 16.610 15.534 -18.950 1.00 0.00 N ATOM 61 CA TYR A 7 16.705 16.441 -17.819 1.00 0.00 C ATOM 62 C TYR A 7 16.404 15.714 -16.507 1.00 0.00 C ATOM 63 O TYR A 7 15.392 15.024 -16.394 1.00 0.00 O ATOM 64 CB TYR A 7 15.640 17.515 -18.049 1.00 0.00 C ATOM 65 CG TYR A 7 14.722 17.236 -19.241 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.687 16.332 -19.117 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.931 17.888 -20.439 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.824 16.069 -20.239 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.067 17.626 -21.561 1.00 0.00 C ATOM 70 CZ TYR A 7 13.056 16.729 -21.406 1.00 0.00 C ATOM 71 OH TYR A 7 12.240 16.481 -22.465 1.00 0.00 O ATOM 0 H TYR A 7 15.658 15.284 -19.218 1.00 0.00 H new ATOM 0 HA TYR A 7 17.709 16.858 -17.744 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.032 17.608 -17.149 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.134 18.475 -18.200 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.524 15.822 -18.179 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.742 18.594 -20.535 1.00 0.00 H new ATOM 0 HE1 TYR A 7 12.011 15.363 -20.156 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.218 18.130 -22.504 1.00 0.00 H new ATOM 0 HH TYR A 7 12.523 17.023 -23.230 1.00 0.00 H new ATOM 81 N THR A 8 17.299 15.894 -15.548 1.00 0.00 N ATOM 82 CA THR A 8 17.142 15.264 -14.248 1.00 0.00 C ATOM 83 C THR A 8 16.143 16.046 -13.394 1.00 0.00 C ATOM 84 O THR A 8 15.891 17.223 -13.648 1.00 0.00 O ATOM 85 CB THR A 8 18.527 15.146 -13.609 1.00 0.00 C ATOM 86 OG1 THR A 8 18.909 16.496 -13.357 1.00 0.00 O ATOM 87 CG2 THR A 8 19.585 14.636 -14.591 1.00 0.00 C ATOM 0 H THR A 8 18.137 16.468 -15.645 1.00 0.00 H new ATOM 0 HA THR A 8 16.726 14.261 -14.342 1.00 0.00 H new ATOM 0 HB THR A 8 18.475 14.475 -12.752 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.796 16.513 -12.941 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.549 14.571 -14.086 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.299 13.649 -14.954 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.662 15.324 -15.433 1.00 0.00 H new ATOM 95 N LEU A 9 15.600 15.361 -12.398 1.00 0.00 N ATOM 96 CA LEU A 9 14.634 15.977 -11.505 1.00 0.00 C ATOM 97 C LEU A 9 15.071 17.411 -11.199 1.00 0.00 C ATOM 98 O LEU A 9 14.234 18.296 -11.027 1.00 0.00 O ATOM 99 CB LEU A 9 14.434 15.116 -10.255 1.00 0.00 C ATOM 100 CG LEU A 9 13.566 13.869 -10.433 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.845 13.193 -11.777 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.744 12.905 -9.259 1.00 0.00 C ATOM 0 H LEU A 9 15.811 14.385 -12.190 1.00 0.00 H new ATOM 0 HA LEU A 9 13.657 16.036 -11.984 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.413 14.804 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.989 15.737 -9.478 1.00 0.00 H new ATOM 0 HG LEU A 9 12.521 14.179 -10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.215 12.309 -11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.626 13.889 -12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.893 12.898 -11.825 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.116 12.027 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.788 12.598 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.455 13.402 -8.333 1.00 0.00 H new ATOM 114 N GLU A 10 16.381 17.597 -11.139 1.00 0.00 N ATOM 115 CA GLU A 10 16.939 18.909 -10.857 1.00 0.00 C ATOM 116 C GLU A 10 16.241 19.976 -11.703 1.00 0.00 C ATOM 117 O GLU A 10 16.213 21.148 -11.331 1.00 0.00 O ATOM 118 CB GLU A 10 18.451 18.924 -11.094 1.00 0.00 C ATOM 119 CG GLU A 10 19.195 19.421 -9.853 1.00 0.00 C ATOM 120 CD GLU A 10 20.658 18.975 -9.875 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.891 17.777 -9.600 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.512 19.840 -10.168 1.00 0.00 O ATOM 0 H GLU A 10 17.073 16.861 -11.281 1.00 0.00 H new ATOM 0 HA GLU A 10 16.767 19.137 -9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.793 17.921 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.683 19.566 -11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.144 20.509 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.708 19.039 -8.956 1.00 0.00 H new ATOM 129 N GLU A 11 15.695 19.531 -12.825 1.00 0.00 N ATOM 130 CA GLU A 11 14.998 20.433 -13.726 1.00 0.00 C ATOM 131 C GLU A 11 13.487 20.345 -13.503 1.00 0.00 C ATOM 132 O GLU A 11 12.841 21.350 -13.207 1.00 0.00 O ATOM 133 CB GLU A 11 15.355 20.135 -15.184 1.00 0.00 C ATOM 134 CG GLU A 11 16.858 19.896 -15.343 1.00 0.00 C ATOM 135 CD GLU A 11 17.665 20.957 -14.592 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.293 22.144 -14.715 1.00 0.00 O ATOM 137 OE2 GLU A 11 18.634 20.557 -13.913 1.00 0.00 O ATOM 0 H GLU A 11 15.721 18.558 -13.131 1.00 0.00 H new ATOM 0 HA GLU A 11 15.319 21.452 -13.508 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.806 19.257 -15.524 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.047 20.969 -15.815 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.114 18.906 -14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.123 19.914 -16.400 1.00 0.00 H new ATOM 144 N ILE A 12 12.968 19.136 -13.652 1.00 0.00 N ATOM 145 CA ILE A 12 11.546 18.904 -13.470 1.00 0.00 C ATOM 146 C ILE A 12 11.081 19.591 -12.184 1.00 0.00 C ATOM 147 O ILE A 12 9.997 20.167 -12.141 1.00 0.00 O ATOM 148 CB ILE A 12 11.237 17.406 -13.514 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.466 16.839 -14.915 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.823 17.123 -13.004 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.855 16.208 -15.033 1.00 0.00 C ATOM 0 H ILE A 12 13.507 18.306 -13.897 1.00 0.00 H new ATOM 0 HA ILE A 12 10.980 19.346 -14.290 1.00 0.00 H new ATOM 0 HB ILE A 12 11.929 16.895 -12.844 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.704 16.092 -15.138 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.360 17.633 -15.654 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.629 16.051 -13.046 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.732 17.468 -11.974 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.099 17.647 -13.628 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.991 15.813 -16.040 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.616 16.963 -14.834 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.949 15.398 -14.310 1.00 0.00 H new ATOM 163 N GLN A 13 11.927 19.505 -11.167 1.00 0.00 N ATOM 164 CA GLN A 13 11.618 20.111 -9.884 1.00 0.00 C ATOM 165 C GLN A 13 11.307 21.598 -10.060 1.00 0.00 C ATOM 166 O GLN A 13 10.468 22.149 -9.349 1.00 0.00 O ATOM 167 CB GLN A 13 12.761 19.904 -8.889 1.00 0.00 C ATOM 168 CG GLN A 13 12.795 18.459 -8.385 1.00 0.00 C ATOM 169 CD GLN A 13 11.429 18.035 -7.844 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.622 18.846 -7.418 1.00 0.00 O ATOM 171 NE2 GLN A 13 11.214 16.723 -7.883 1.00 0.00 N ATOM 0 H GLN A 13 12.826 19.025 -11.206 1.00 0.00 H new ATOM 0 HA GLN A 13 10.734 19.621 -9.477 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.711 20.149 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.641 20.584 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.091 17.794 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.547 18.361 -7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.932 16.099 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.331 16.341 -7.544 1.00 0.00 H new ATOM 180 N LYS A 14 12.001 22.206 -11.011 1.00 0.00 N ATOM 181 CA LYS A 14 11.811 23.619 -11.288 1.00 0.00 C ATOM 182 C LYS A 14 10.489 23.814 -12.035 1.00 0.00 C ATOM 183 O LYS A 14 10.055 24.944 -12.252 1.00 0.00 O ATOM 184 CB LYS A 14 13.023 24.189 -12.027 1.00 0.00 C ATOM 185 CG LYS A 14 13.865 25.070 -11.102 1.00 0.00 C ATOM 186 CD LYS A 14 15.320 25.127 -11.573 1.00 0.00 C ATOM 187 CE LYS A 14 16.252 25.520 -10.424 1.00 0.00 C ATOM 188 NZ LYS A 14 16.729 26.909 -10.597 1.00 0.00 N ATOM 0 H LYS A 14 12.696 21.746 -11.599 1.00 0.00 H new ATOM 0 HA LYS A 14 11.740 24.183 -10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.634 23.373 -12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.689 24.772 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.448 26.077 -11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.823 24.680 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.616 24.156 -11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.415 25.847 -12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.727 25.425 -9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.102 24.839 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.360 27.160 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.248 26.989 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.915 27.557 -10.609 1.00 0.00 H new ATOM 202 N HIS A 15 9.887 22.695 -12.408 1.00 0.00 N ATOM 203 CA HIS A 15 8.624 22.727 -13.126 1.00 0.00 C ATOM 204 C HIS A 15 7.496 22.265 -12.201 1.00 0.00 C ATOM 205 O HIS A 15 6.648 21.470 -12.601 1.00 0.00 O ATOM 206 CB HIS A 15 8.710 21.905 -14.413 1.00 0.00 C ATOM 207 CG HIS A 15 9.782 22.371 -15.370 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.572 23.375 -16.298 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.072 21.960 -15.530 1.00 0.00 C ATOM 210 CE1 HIS A 15 10.693 23.553 -16.982 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.621 22.674 -16.505 1.00 0.00 N ATOM 0 H HIS A 15 10.250 21.759 -12.226 1.00 0.00 H new ATOM 0 HA HIS A 15 8.401 23.749 -13.431 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.897 20.863 -14.154 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.745 21.940 -14.919 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.564 21.185 -14.960 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.845 24.268 -17.777 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.579 22.581 -16.842 1.00 0.00 H new ATOM 219 N LYS A 16 7.524 22.785 -10.982 1.00 0.00 N ATOM 220 CA LYS A 16 6.514 22.435 -9.997 1.00 0.00 C ATOM 221 C LYS A 16 5.608 23.644 -9.750 1.00 0.00 C ATOM 222 O LYS A 16 5.418 24.058 -8.608 1.00 0.00 O ATOM 223 CB LYS A 16 7.170 21.888 -8.727 1.00 0.00 C ATOM 224 CG LYS A 16 6.120 21.563 -7.664 1.00 0.00 C ATOM 225 CD LYS A 16 6.653 20.536 -6.663 1.00 0.00 C ATOM 226 CE LYS A 16 5.675 20.342 -5.503 1.00 0.00 C ATOM 227 NZ LYS A 16 5.543 21.590 -4.721 1.00 0.00 N ATOM 0 H LYS A 16 8.229 23.445 -10.654 1.00 0.00 H new ATOM 0 HA LYS A 16 5.879 21.632 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.741 20.991 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.876 22.620 -8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.835 22.474 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.220 21.177 -8.143 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.818 19.584 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.618 20.865 -6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.700 20.043 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.024 19.536 -4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.151 21.372 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.478 22.032 -4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.907 22.245 -5.218 1.00 0.00 H new ATOM 241 N ASP A 17 5.075 24.175 -10.841 1.00 0.00 N ATOM 242 CA ASP A 17 4.194 25.328 -10.756 1.00 0.00 C ATOM 243 C ASP A 17 3.184 25.277 -11.905 1.00 0.00 C ATOM 244 O ASP A 17 3.321 24.468 -12.821 1.00 0.00 O ATOM 245 CB ASP A 17 4.983 26.633 -10.877 1.00 0.00 C ATOM 246 CG ASP A 17 5.556 27.166 -9.563 1.00 0.00 C ATOM 247 OD1 ASP A 17 6.578 26.598 -9.118 1.00 0.00 O ATOM 248 OD2 ASP A 17 4.960 28.128 -9.032 1.00 0.00 O ATOM 0 H ASP A 17 5.236 23.829 -11.787 1.00 0.00 H new ATOM 0 HA ASP A 17 3.691 25.299 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.803 26.480 -11.578 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.333 27.394 -11.308 1.00 0.00 H new ATOM 253 N SER A 18 2.194 26.153 -11.818 1.00 0.00 N ATOM 254 CA SER A 18 1.161 26.218 -12.838 1.00 0.00 C ATOM 255 C SER A 18 1.795 26.473 -14.207 1.00 0.00 C ATOM 256 O SER A 18 1.555 25.726 -15.155 1.00 0.00 O ATOM 257 CB SER A 18 0.136 27.307 -12.516 1.00 0.00 C ATOM 258 OG SER A 18 -1.201 26.821 -12.594 1.00 0.00 O ATOM 0 H SER A 18 2.085 26.824 -11.057 1.00 0.00 H new ATOM 0 HA SER A 18 0.639 25.261 -12.858 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.323 27.696 -11.515 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.261 28.139 -13.209 1.00 0.00 H new ATOM 0 HG SER A 18 -1.825 27.545 -12.380 1.00 0.00 H new ATOM 264 N LYS A 19 2.589 27.531 -14.267 1.00 0.00 N ATOM 265 CA LYS A 19 3.258 27.895 -15.505 1.00 0.00 C ATOM 266 C LYS A 19 3.945 26.659 -16.090 1.00 0.00 C ATOM 267 O LYS A 19 3.913 26.440 -17.300 1.00 0.00 O ATOM 268 CB LYS A 19 4.205 29.074 -15.276 1.00 0.00 C ATOM 269 CG LYS A 19 4.775 29.586 -16.601 1.00 0.00 C ATOM 270 CD LYS A 19 3.764 30.479 -17.324 1.00 0.00 C ATOM 271 CE LYS A 19 3.171 29.762 -18.539 1.00 0.00 C ATOM 272 NZ LYS A 19 3.525 30.476 -19.785 1.00 0.00 N ATOM 0 H LYS A 19 2.785 28.148 -13.479 1.00 0.00 H new ATOM 0 HA LYS A 19 2.533 28.238 -16.243 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.673 29.879 -14.770 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.020 28.768 -14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.692 30.145 -16.415 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.040 28.742 -17.237 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.965 30.760 -16.638 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.250 31.401 -17.643 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.542 28.738 -18.582 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.087 29.704 -18.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.115 29.976 -20.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.150 31.445 -19.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.560 30.509 -19.884 1.00 0.00 H new ATOM 286 N SER A 20 4.553 25.884 -15.204 1.00 0.00 N ATOM 287 CA SER A 20 5.247 24.676 -15.617 1.00 0.00 C ATOM 288 C SER A 20 4.986 23.553 -14.612 1.00 0.00 C ATOM 289 O SER A 20 5.463 23.605 -13.480 1.00 0.00 O ATOM 290 CB SER A 20 6.750 24.925 -15.757 1.00 0.00 C ATOM 291 OG SER A 20 7.282 24.335 -16.939 1.00 0.00 O ATOM 0 H SER A 20 4.579 26.069 -14.201 1.00 0.00 H new ATOM 0 HA SER A 20 4.863 24.378 -16.593 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.940 25.998 -15.771 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.267 24.521 -14.886 1.00 0.00 H new ATOM 0 HG SER A 20 8.211 24.066 -16.781 1.00 0.00 H new ATOM 297 N THR A 21 4.229 22.563 -15.062 1.00 0.00 N ATOM 298 CA THR A 21 3.900 21.429 -14.216 1.00 0.00 C ATOM 299 C THR A 21 3.924 20.132 -15.028 1.00 0.00 C ATOM 300 O THR A 21 3.137 19.964 -15.959 1.00 0.00 O ATOM 301 CB THR A 21 2.546 21.707 -13.558 1.00 0.00 C ATOM 302 OG1 THR A 21 2.880 22.084 -12.225 1.00 0.00 O ATOM 303 CG2 THR A 21 1.706 20.440 -13.388 1.00 0.00 C ATOM 0 H THR A 21 3.834 22.523 -16.002 1.00 0.00 H new ATOM 0 HA THR A 21 4.641 21.297 -13.428 1.00 0.00 H new ATOM 0 HB THR A 21 1.993 22.431 -14.157 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.427 22.897 -12.242 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.756 20.694 -12.917 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.519 19.994 -14.365 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.244 19.728 -12.761 1.00 0.00 H new ATOM 311 N TRP A 22 4.836 19.251 -14.648 1.00 0.00 N ATOM 312 CA TRP A 22 4.974 17.975 -15.329 1.00 0.00 C ATOM 313 C TRP A 22 4.672 16.864 -14.320 1.00 0.00 C ATOM 314 O TRP A 22 4.338 17.141 -13.168 1.00 0.00 O ATOM 315 CB TRP A 22 6.357 17.841 -15.969 1.00 0.00 C ATOM 316 CG TRP A 22 6.801 19.076 -16.755 1.00 0.00 C ATOM 317 CD1 TRP A 22 6.034 20.047 -17.268 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.155 19.436 -17.098 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.791 21.003 -17.914 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.123 20.618 -17.807 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.369 18.783 -16.818 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.272 21.252 -18.296 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.508 19.429 -17.313 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.492 20.620 -18.030 1.00 0.00 C ATOM 0 H TRP A 22 5.488 19.395 -13.877 1.00 0.00 H new ATOM 0 HA TRP A 22 4.264 17.900 -16.152 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.089 17.637 -15.188 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.355 16.979 -16.637 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.958 20.078 -17.186 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.439 21.837 -18.383 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.418 17.857 -16.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.219 22.179 -18.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.467 18.970 -17.125 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.416 21.055 -18.380 1.00 0.00 H new ATOM 335 N VAL A 23 4.802 15.631 -14.788 1.00 0.00 N ATOM 336 CA VAL A 23 4.546 14.478 -13.941 1.00 0.00 C ATOM 337 C VAL A 23 5.226 13.248 -14.544 1.00 0.00 C ATOM 338 O VAL A 23 4.729 12.671 -15.510 1.00 0.00 O ATOM 339 CB VAL A 23 3.041 14.295 -13.747 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.498 15.280 -12.710 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.295 14.431 -15.075 1.00 0.00 C ATOM 0 H VAL A 23 5.081 15.405 -15.743 1.00 0.00 H new ATOM 0 HA VAL A 23 4.971 14.631 -12.949 1.00 0.00 H new ATOM 0 HB VAL A 23 2.873 13.286 -13.371 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.425 15.129 -12.591 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.996 15.114 -11.755 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.685 16.300 -13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.226 14.296 -14.907 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.475 15.421 -15.494 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.651 13.672 -15.772 1.00 0.00 H new ATOM 351 N ILE A 24 6.353 12.883 -13.951 1.00 0.00 N ATOM 352 CA ILE A 24 7.107 11.732 -14.417 1.00 0.00 C ATOM 353 C ILE A 24 6.247 10.474 -14.273 1.00 0.00 C ATOM 354 O ILE A 24 5.888 10.087 -13.162 1.00 0.00 O ATOM 355 CB ILE A 24 8.453 11.643 -13.695 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.193 10.358 -14.072 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.273 11.779 -12.182 1.00 0.00 C ATOM 358 CD1 ILE A 24 10.705 10.533 -13.924 1.00 0.00 C ATOM 0 H ILE A 24 6.763 13.365 -13.151 1.00 0.00 H new ATOM 0 HA ILE A 24 7.347 11.837 -15.475 1.00 0.00 H new ATOM 0 HB ILE A 24 9.072 12.478 -14.021 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.854 9.539 -13.437 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.954 10.084 -15.100 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.245 11.712 -11.693 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.818 12.743 -11.955 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.628 10.979 -11.819 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.207 9.605 -14.198 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.044 11.336 -14.578 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.943 10.783 -12.890 1.00 0.00 H new ATOM 370 N LEU A 25 5.943 9.870 -15.413 1.00 0.00 N ATOM 371 CA LEU A 25 5.133 8.664 -15.427 1.00 0.00 C ATOM 372 C LEU A 25 5.728 7.668 -16.425 1.00 0.00 C ATOM 373 O LEU A 25 5.883 7.981 -17.604 1.00 0.00 O ATOM 374 CB LEU A 25 3.667 9.006 -15.702 1.00 0.00 C ATOM 375 CG LEU A 25 3.363 9.602 -17.078 1.00 0.00 C ATOM 376 CD1 LEU A 25 3.115 8.500 -18.110 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.196 10.590 -17.002 1.00 0.00 C ATOM 0 H LEU A 25 6.243 10.193 -16.333 1.00 0.00 H new ATOM 0 HA LEU A 25 5.147 8.185 -14.448 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.075 8.099 -15.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.330 9.710 -14.941 1.00 0.00 H new ATOM 0 HG LEU A 25 4.238 10.162 -17.409 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.901 8.951 -19.079 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.001 7.870 -18.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.266 7.893 -17.797 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.000 10.999 -17.993 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.306 10.075 -16.640 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.449 11.400 -16.319 1.00 0.00 H new ATOM 389 N HIS A 26 6.046 6.487 -15.914 1.00 0.00 N ATOM 390 CA HIS A 26 6.620 5.442 -16.744 1.00 0.00 C ATOM 391 C HIS A 26 7.982 5.898 -17.274 1.00 0.00 C ATOM 392 O HIS A 26 8.343 5.595 -18.410 1.00 0.00 O ATOM 393 CB HIS A 26 5.654 5.042 -17.861 1.00 0.00 C ATOM 394 CG HIS A 26 4.322 4.530 -17.366 1.00 0.00 C ATOM 395 ND1 HIS A 26 4.209 3.534 -16.413 1.00 0.00 N ATOM 396 CD2 HIS A 26 3.050 4.888 -17.702 1.00 0.00 C ATOM 397 CE1 HIS A 26 2.923 3.308 -16.192 1.00 0.00 C ATOM 398 NE2 HIS A 26 2.205 4.148 -16.993 1.00 0.00 N ATOM 0 H HIS A 26 5.917 6.231 -14.935 1.00 0.00 H new ATOM 0 HA HIS A 26 6.782 4.546 -16.145 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.484 5.904 -18.506 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.122 4.272 -18.474 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.776 5.645 -18.422 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.514 2.586 -15.500 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.187 4.199 -17.040 1.00 0.00 H new ATOM 406 N HIS A 27 8.700 6.619 -16.425 1.00 0.00 N ATOM 407 CA HIS A 27 10.012 7.120 -16.793 1.00 0.00 C ATOM 408 C HIS A 27 9.869 8.194 -17.874 1.00 0.00 C ATOM 409 O HIS A 27 10.864 8.690 -18.398 1.00 0.00 O ATOM 410 CB HIS A 27 10.932 5.973 -17.216 1.00 0.00 C ATOM 411 CG HIS A 27 12.139 6.414 -18.010 1.00 0.00 C ATOM 412 ND1 HIS A 27 12.908 7.510 -17.659 1.00 0.00 N ATOM 413 CD2 HIS A 27 12.700 5.896 -19.140 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.885 7.637 -18.546 1.00 0.00 C ATOM 415 NE2 HIS A 27 13.754 6.636 -19.463 1.00 0.00 N ATOM 0 H HIS A 27 8.397 6.868 -15.483 1.00 0.00 H new ATOM 0 HA HIS A 27 10.482 7.587 -15.927 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.270 5.444 -16.325 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.359 5.262 -17.811 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.347 5.030 -19.681 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.650 8.399 -18.543 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.365 6.481 -20.265 1.00 0.00 H new ATOM 423 N LYS A 28 8.620 8.521 -18.174 1.00 0.00 N ATOM 424 CA LYS A 28 8.332 9.527 -19.183 1.00 0.00 C ATOM 425 C LYS A 28 7.580 10.691 -18.535 1.00 0.00 C ATOM 426 O LYS A 28 6.451 10.526 -18.076 1.00 0.00 O ATOM 427 CB LYS A 28 7.595 8.901 -20.369 1.00 0.00 C ATOM 428 CG LYS A 28 8.571 8.193 -21.309 1.00 0.00 C ATOM 429 CD LYS A 28 8.935 6.805 -20.779 1.00 0.00 C ATOM 430 CE LYS A 28 9.881 6.081 -21.739 1.00 0.00 C ATOM 431 NZ LYS A 28 11.115 6.871 -21.944 1.00 0.00 N ATOM 0 H LYS A 28 7.797 8.107 -17.736 1.00 0.00 H new ATOM 0 HA LYS A 28 9.257 9.933 -19.592 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.853 8.190 -20.006 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.055 9.674 -20.915 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.126 8.102 -22.300 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.475 8.792 -21.419 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.406 6.898 -19.800 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.029 6.215 -20.642 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.133 5.099 -21.339 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.384 5.918 -22.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.874 6.247 -22.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.937 7.617 -22.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.403 7.305 -21.044 1.00 0.00 H new ATOM 445 N VAL A 29 8.236 11.842 -18.519 1.00 0.00 N ATOM 446 CA VAL A 29 7.643 13.033 -17.935 1.00 0.00 C ATOM 447 C VAL A 29 6.774 13.731 -18.984 1.00 0.00 C ATOM 448 O VAL A 29 7.170 13.856 -20.141 1.00 0.00 O ATOM 449 CB VAL A 29 8.738 13.939 -17.369 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.745 14.328 -18.454 1.00 0.00 C ATOM 451 CG2 VAL A 29 8.135 15.181 -16.709 1.00 0.00 C ATOM 0 H VAL A 29 9.172 11.975 -18.901 1.00 0.00 H new ATOM 0 HA VAL A 29 6.995 12.767 -17.100 1.00 0.00 H new ATOM 0 HB VAL A 29 9.273 13.378 -16.602 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.512 14.972 -18.024 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.210 13.429 -18.858 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.230 14.861 -19.254 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.935 15.808 -16.315 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.563 15.744 -17.447 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.477 14.877 -15.895 1.00 0.00 H new ATOM 461 N TYR A 30 5.604 14.166 -18.541 1.00 0.00 N ATOM 462 CA TYR A 30 4.674 14.848 -19.426 1.00 0.00 C ATOM 463 C TYR A 30 4.419 16.281 -18.955 1.00 0.00 C ATOM 464 O TYR A 30 4.283 16.531 -17.758 1.00 0.00 O ATOM 465 CB TYR A 30 3.366 14.059 -19.352 1.00 0.00 C ATOM 466 CG TYR A 30 3.418 12.700 -20.052 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.397 11.787 -19.715 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.486 12.386 -21.021 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.446 10.508 -20.374 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.536 11.107 -21.680 1.00 0.00 C ATOM 471 CZ TYR A 30 3.514 10.231 -21.324 1.00 0.00 C ATOM 472 OH TYR A 30 3.560 9.023 -21.947 1.00 0.00 O ATOM 0 H TYR A 30 5.278 14.060 -17.580 1.00 0.00 H new ATOM 0 HA TYR A 30 5.075 14.899 -20.438 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.104 13.907 -18.305 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.569 14.655 -19.797 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.126 12.032 -18.957 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.720 13.100 -21.285 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.206 9.785 -20.119 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.813 10.849 -22.440 1.00 0.00 H new ATOM 0 HH TYR A 30 2.832 8.964 -22.601 1.00 0.00 H new ATOM 482 N ASP A 31 4.362 17.187 -19.921 1.00 0.00 N ATOM 483 CA ASP A 31 4.126 18.588 -19.620 1.00 0.00 C ATOM 484 C ASP A 31 2.655 18.920 -19.883 1.00 0.00 C ATOM 485 O ASP A 31 2.310 19.428 -20.948 1.00 0.00 O ATOM 486 CB ASP A 31 4.980 19.493 -20.508 1.00 0.00 C ATOM 487 CG ASP A 31 4.549 20.961 -20.541 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.786 21.349 -19.630 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.993 21.663 -21.476 1.00 0.00 O ATOM 0 H ASP A 31 4.475 16.977 -20.913 1.00 0.00 H new ATOM 0 HA ASP A 31 4.387 18.758 -18.575 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.014 19.441 -20.166 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.961 19.101 -21.525 1.00 0.00 H new ATOM 494 N LEU A 32 1.828 18.622 -18.891 1.00 0.00 N ATOM 495 CA LEU A 32 0.404 18.883 -19.001 1.00 0.00 C ATOM 496 C LEU A 32 0.098 20.272 -18.436 1.00 0.00 C ATOM 497 O LEU A 32 -1.034 20.551 -18.045 1.00 0.00 O ATOM 498 CB LEU A 32 -0.400 17.760 -18.341 1.00 0.00 C ATOM 499 CG LEU A 32 0.332 16.956 -17.264 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.656 16.350 -16.266 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.236 15.894 -17.893 1.00 0.00 C ATOM 0 H LEU A 32 2.118 18.202 -18.008 1.00 0.00 H new ATOM 0 HA LEU A 32 0.099 18.890 -20.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.296 18.194 -17.897 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.731 17.072 -19.118 1.00 0.00 H new ATOM 0 HG LEU A 32 0.975 17.637 -16.707 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.110 15.784 -15.511 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.221 17.148 -15.783 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.343 15.686 -16.791 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.745 15.337 -17.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.633 15.210 -18.490 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.976 16.377 -18.531 1.00 0.00 H new ATOM 513 N THR A 33 1.128 21.104 -18.412 1.00 0.00 N ATOM 514 CA THR A 33 0.985 22.457 -17.901 1.00 0.00 C ATOM 515 C THR A 33 0.080 23.281 -18.820 1.00 0.00 C ATOM 516 O THR A 33 -0.459 24.307 -18.409 1.00 0.00 O ATOM 517 CB THR A 33 2.385 23.051 -17.735 1.00 0.00 C ATOM 518 OG1 THR A 33 2.313 23.771 -16.507 1.00 0.00 O ATOM 519 CG2 THR A 33 2.693 24.125 -18.779 1.00 0.00 C ATOM 0 H THR A 33 2.065 20.868 -18.738 1.00 0.00 H new ATOM 0 HA THR A 33 0.497 22.462 -16.926 1.00 0.00 H new ATOM 0 HB THR A 33 3.127 22.256 -17.803 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.681 24.514 -16.600 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.698 24.513 -18.616 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.629 23.691 -19.777 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.971 24.937 -18.689 1.00 0.00 H new ATOM 527 N LYS A 34 -0.057 22.800 -20.047 1.00 0.00 N ATOM 528 CA LYS A 34 -0.887 23.479 -21.028 1.00 0.00 C ATOM 529 C LYS A 34 -2.317 22.942 -20.939 1.00 0.00 C ATOM 530 O LYS A 34 -3.263 23.711 -20.774 1.00 0.00 O ATOM 531 CB LYS A 34 -0.271 23.361 -22.424 1.00 0.00 C ATOM 532 CG LYS A 34 -1.052 24.199 -23.439 1.00 0.00 C ATOM 533 CD LYS A 34 -0.834 25.695 -23.199 1.00 0.00 C ATOM 534 CE LYS A 34 0.035 26.306 -24.299 1.00 0.00 C ATOM 535 NZ LYS A 34 -0.807 26.998 -25.301 1.00 0.00 N ATOM 0 H LYS A 34 0.392 21.949 -20.384 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.934 24.547 -20.814 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.768 23.691 -22.397 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.266 22.317 -22.736 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.737 23.939 -24.450 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.114 23.967 -23.367 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.796 26.206 -23.165 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.359 25.846 -22.230 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.743 27.010 -23.862 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.620 25.525 -24.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.201 27.407 -26.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.466 26.317 -25.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.346 27.756 -24.837 1.00 0.00 H new ATOM 549 N PHE A 35 -2.429 21.627 -21.052 1.00 0.00 N ATOM 550 CA PHE A 35 -3.728 20.979 -20.988 1.00 0.00 C ATOM 551 C PHE A 35 -4.184 20.809 -19.536 1.00 0.00 C ATOM 552 O PHE A 35 -5.191 20.155 -19.271 1.00 0.00 O ATOM 553 CB PHE A 35 -3.570 19.597 -21.624 1.00 0.00 C ATOM 554 CG PHE A 35 -4.063 18.445 -20.744 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.261 17.951 -19.763 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.300 17.919 -20.944 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.719 16.883 -18.946 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.756 16.850 -20.127 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.956 16.355 -19.145 1.00 0.00 C ATOM 0 H PHE A 35 -1.642 20.993 -21.187 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.472 21.584 -21.507 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.115 19.578 -22.568 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.518 19.435 -21.860 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.278 18.370 -19.605 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.936 18.313 -21.723 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.084 16.490 -18.166 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.738 16.430 -20.286 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.303 15.543 -18.523 1.00 0.00 H new ATOM 569 N LEU A 36 -3.420 21.410 -18.636 1.00 0.00 N ATOM 570 CA LEU A 36 -3.732 21.334 -17.219 1.00 0.00 C ATOM 571 C LEU A 36 -5.174 21.797 -16.994 1.00 0.00 C ATOM 572 O LEU A 36 -5.909 21.195 -16.212 1.00 0.00 O ATOM 573 CB LEU A 36 -2.702 22.113 -16.400 1.00 0.00 C ATOM 574 CG LEU A 36 -2.220 21.439 -15.113 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.714 21.634 -14.923 1.00 0.00 C ATOM 576 CD2 LEU A 36 -3.019 21.931 -13.905 1.00 0.00 C ATOM 0 H LEU A 36 -2.585 21.952 -18.861 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.668 20.303 -16.870 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.835 22.306 -17.032 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.130 23.081 -16.141 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.397 20.367 -15.201 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.397 21.146 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.181 21.197 -15.767 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.490 22.699 -14.865 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.657 21.437 -13.003 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.896 23.009 -13.802 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.074 21.698 -14.047 1.00 0.00 H new ATOM 588 N GLU A 37 -5.535 22.863 -17.692 1.00 0.00 N ATOM 589 CA GLU A 37 -6.874 23.414 -17.578 1.00 0.00 C ATOM 590 C GLU A 37 -7.859 22.592 -18.412 1.00 0.00 C ATOM 591 O GLU A 37 -9.063 22.618 -18.163 1.00 0.00 O ATOM 592 CB GLU A 37 -6.899 24.886 -17.993 1.00 0.00 C ATOM 593 CG GLU A 37 -7.979 25.654 -17.229 1.00 0.00 C ATOM 594 CD GLU A 37 -8.740 26.602 -18.157 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.057 27.323 -18.916 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.988 26.584 -18.086 1.00 0.00 O ATOM 0 H GLU A 37 -4.923 23.360 -18.339 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.180 23.361 -16.533 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.925 25.337 -17.804 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.083 24.962 -19.065 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.675 24.951 -16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.522 26.222 -16.419 1.00 0.00 H new ATOM 603 N GLU A 38 -7.311 21.881 -19.386 1.00 0.00 N ATOM 604 CA GLU A 38 -8.125 21.053 -20.259 1.00 0.00 C ATOM 605 C GLU A 38 -8.389 19.695 -19.608 1.00 0.00 C ATOM 606 O GLU A 38 -9.098 18.860 -20.168 1.00 0.00 O ATOM 607 CB GLU A 38 -7.465 20.886 -21.629 1.00 0.00 C ATOM 608 CG GLU A 38 -8.123 21.794 -22.670 1.00 0.00 C ATOM 609 CD GLU A 38 -9.108 21.009 -23.539 1.00 0.00 C ATOM 610 OE1 GLU A 38 -10.074 20.472 -22.957 1.00 0.00 O ATOM 611 OE2 GLU A 38 -8.872 20.966 -24.766 1.00 0.00 O ATOM 0 H GLU A 38 -6.312 21.861 -19.590 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.082 21.552 -20.412 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.403 21.121 -21.556 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.540 19.847 -21.948 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.645 22.609 -22.169 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.357 22.246 -23.300 1.00 0.00 H new ATOM 618 N HIS A 39 -7.803 19.514 -18.433 1.00 0.00 N ATOM 619 CA HIS A 39 -7.966 18.270 -17.699 1.00 0.00 C ATOM 620 C HIS A 39 -9.166 18.383 -16.757 1.00 0.00 C ATOM 621 O HIS A 39 -9.276 19.345 -15.998 1.00 0.00 O ATOM 622 CB HIS A 39 -6.674 17.897 -16.970 1.00 0.00 C ATOM 623 CG HIS A 39 -6.713 16.541 -16.304 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.535 16.369 -14.943 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.914 15.298 -16.827 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.624 15.076 -14.670 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.859 14.414 -15.839 1.00 0.00 N ATOM 0 H HIS A 39 -7.215 20.208 -17.971 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.170 17.457 -18.395 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.849 17.917 -17.682 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.463 18.655 -16.216 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.364 17.112 -14.265 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.088 15.071 -17.868 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.527 14.625 -13.693 1.00 0.00 H new ATOM 635 N PRO A 40 -10.060 17.361 -16.839 1.00 0.00 N ATOM 636 CA PRO A 40 -11.248 17.336 -16.003 1.00 0.00 C ATOM 637 C PRO A 40 -10.896 16.961 -14.562 1.00 0.00 C ATOM 638 O PRO A 40 -11.770 16.920 -13.697 1.00 0.00 O ATOM 639 CB PRO A 40 -12.176 16.334 -16.669 1.00 0.00 C ATOM 640 CG PRO A 40 -11.298 15.495 -17.582 1.00 0.00 C ATOM 641 CD PRO A 40 -9.962 16.206 -17.725 1.00 0.00 C ATOM 0 HA PRO A 40 -11.728 18.311 -15.924 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.675 15.711 -15.927 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.956 16.842 -17.236 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.157 14.498 -17.165 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.770 15.370 -18.556 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.135 15.556 -17.438 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.785 16.512 -18.756 1.00 0.00 H new ATOM 649 N GLY A 41 -9.616 16.696 -14.348 1.00 0.00 N ATOM 650 CA GLY A 41 -9.138 16.325 -13.027 1.00 0.00 C ATOM 651 C GLY A 41 -9.190 17.518 -12.070 1.00 0.00 C ATOM 652 O GLY A 41 -10.105 17.628 -11.256 1.00 0.00 O ATOM 0 H GLY A 41 -8.894 16.731 -15.068 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.745 15.511 -12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.115 15.955 -13.097 1.00 0.00 H new ATOM 656 N GLY A 42 -8.194 18.383 -12.201 1.00 0.00 N ATOM 657 CA GLY A 42 -8.114 19.564 -11.358 1.00 0.00 C ATOM 658 C GLY A 42 -6.968 20.476 -11.800 1.00 0.00 C ATOM 659 O GLY A 42 -6.383 20.272 -12.863 1.00 0.00 O ATOM 0 H GLY A 42 -7.437 18.289 -12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.056 20.111 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.966 19.265 -10.320 1.00 0.00 H new ATOM 663 N GLU A 43 -6.683 21.463 -10.963 1.00 0.00 N ATOM 664 CA GLU A 43 -5.617 22.406 -11.255 1.00 0.00 C ATOM 665 C GLU A 43 -4.580 22.401 -10.128 1.00 0.00 C ATOM 666 O GLU A 43 -3.481 22.928 -10.291 1.00 0.00 O ATOM 667 CB GLU A 43 -6.176 23.812 -11.479 1.00 0.00 C ATOM 668 CG GLU A 43 -5.103 24.875 -11.232 1.00 0.00 C ATOM 669 CD GLU A 43 -5.684 26.283 -11.374 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.162 26.807 -10.344 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.635 26.806 -12.508 1.00 0.00 O ATOM 0 H GLU A 43 -7.172 21.630 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.125 22.095 -12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.552 23.900 -12.498 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.021 23.982 -10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.684 24.749 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.285 24.742 -11.940 1.00 0.00 H new ATOM 678 N GLU A 44 -4.969 21.800 -9.013 1.00 0.00 N ATOM 679 CA GLU A 44 -4.087 21.720 -7.861 1.00 0.00 C ATOM 680 C GLU A 44 -3.757 20.259 -7.546 1.00 0.00 C ATOM 681 O GLU A 44 -2.982 19.977 -6.634 1.00 0.00 O ATOM 682 CB GLU A 44 -4.707 22.415 -6.647 1.00 0.00 C ATOM 683 CG GLU A 44 -5.997 21.716 -6.213 1.00 0.00 C ATOM 684 CD GLU A 44 -7.214 22.330 -6.908 1.00 0.00 C ATOM 685 OE1 GLU A 44 -7.577 23.462 -6.520 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.752 21.655 -7.811 1.00 0.00 O ATOM 0 H GLU A 44 -5.882 21.364 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.159 22.239 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.995 22.417 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.917 23.457 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.936 20.654 -6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.112 21.796 -5.132 1.00 0.00 H new ATOM 693 N VAL A 45 -4.361 19.369 -8.320 1.00 0.00 N ATOM 694 CA VAL A 45 -4.141 17.945 -8.135 1.00 0.00 C ATOM 695 C VAL A 45 -3.133 17.450 -9.174 1.00 0.00 C ATOM 696 O VAL A 45 -2.402 16.492 -8.929 1.00 0.00 O ATOM 697 CB VAL A 45 -5.475 17.197 -8.194 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.565 18.068 -8.822 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.329 15.874 -8.947 1.00 0.00 C ATOM 0 H VAL A 45 -5.003 19.607 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.717 17.749 -7.150 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.776 16.969 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.502 17.513 -8.852 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.697 18.971 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.273 18.342 -9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.291 15.363 -8.974 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.993 16.070 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.598 15.245 -8.439 1.00 0.00 H new ATOM 709 N LEU A 46 -3.126 18.126 -10.314 1.00 0.00 N ATOM 710 CA LEU A 46 -2.219 17.768 -11.391 1.00 0.00 C ATOM 711 C LEU A 46 -0.804 18.229 -11.035 1.00 0.00 C ATOM 712 O LEU A 46 0.171 17.537 -11.327 1.00 0.00 O ATOM 713 CB LEU A 46 -2.727 18.318 -12.725 1.00 0.00 C ATOM 714 CG LEU A 46 -4.246 18.322 -12.913 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.622 18.770 -14.327 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.846 16.958 -12.565 1.00 0.00 C ATOM 0 H LEU A 46 -3.734 18.920 -10.515 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.181 16.685 -11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.364 19.340 -12.836 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.282 17.733 -13.530 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.674 19.047 -12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.707 18.764 -14.434 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.246 19.778 -14.501 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.182 18.088 -15.054 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.926 16.989 -12.707 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.416 16.195 -13.214 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.624 16.717 -11.525 1.00 0.00 H new ATOM 728 N ARG A 47 -0.735 19.395 -10.410 1.00 0.00 N ATOM 729 CA ARG A 47 0.544 19.957 -10.012 1.00 0.00 C ATOM 730 C ARG A 47 0.982 19.378 -8.665 1.00 0.00 C ATOM 731 O ARG A 47 2.174 19.326 -8.366 1.00 0.00 O ATOM 732 CB ARG A 47 0.466 21.480 -9.902 1.00 0.00 C ATOM 733 CG ARG A 47 -0.829 21.916 -9.214 1.00 0.00 C ATOM 734 CD ARG A 47 -0.710 23.342 -8.672 1.00 0.00 C ATOM 735 NE ARG A 47 -0.302 23.310 -7.250 1.00 0.00 N ATOM 736 CZ ARG A 47 0.238 24.350 -6.601 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.438 25.510 -7.241 1.00 0.00 N ATOM 738 NH2 ARG A 47 0.577 24.231 -5.310 1.00 0.00 N ATOM 0 H ARG A 47 -1.545 19.966 -10.169 1.00 0.00 H new ATOM 0 HA ARG A 47 1.273 19.696 -10.779 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.323 21.852 -9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.520 21.923 -10.896 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.657 21.860 -9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.060 21.231 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.020 23.902 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.664 23.859 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.441 22.442 -6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.179 25.602 -8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.849 26.301 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.424 23.349 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.988 25.023 -4.816 1.00 0.00 H new ATOM 752 N GLU A 48 -0.006 18.956 -7.889 1.00 0.00 N ATOM 753 CA GLU A 48 0.263 18.383 -6.581 1.00 0.00 C ATOM 754 C GLU A 48 1.338 17.300 -6.687 1.00 0.00 C ATOM 755 O GLU A 48 2.019 16.998 -5.707 1.00 0.00 O ATOM 756 CB GLU A 48 -1.017 17.825 -5.954 1.00 0.00 C ATOM 757 CG GLU A 48 -1.221 18.378 -4.542 1.00 0.00 C ATOM 758 CD GLU A 48 0.031 18.175 -3.687 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.891 19.082 -3.717 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.100 17.118 -3.023 1.00 0.00 O ATOM 0 H GLU A 48 -0.993 18.999 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 48 0.634 19.173 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.874 18.083 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.965 16.737 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.461 19.440 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.071 17.882 -4.073 1.00 0.00 H new ATOM 767 N GLN A 49 1.459 16.745 -7.884 1.00 0.00 N ATOM 768 CA GLN A 49 2.441 15.702 -8.131 1.00 0.00 C ATOM 769 C GLN A 49 3.471 16.176 -9.157 1.00 0.00 C ATOM 770 O GLN A 49 4.114 15.362 -9.819 1.00 0.00 O ATOM 771 CB GLN A 49 1.763 14.410 -8.590 1.00 0.00 C ATOM 772 CG GLN A 49 0.917 13.805 -7.468 1.00 0.00 C ATOM 773 CD GLN A 49 1.766 13.538 -6.223 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.580 12.629 -6.180 1.00 0.00 O ATOM 775 NE2 GLN A 49 1.531 14.376 -5.219 1.00 0.00 N ATOM 0 H GLN A 49 0.893 16.998 -8.694 1.00 0.00 H new ATOM 0 HA GLN A 49 2.960 15.489 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.133 14.614 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.519 13.692 -8.908 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.101 14.483 -7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.465 12.874 -7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.835 15.115 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.046 14.281 -4.344 1.00 0.00 H new ATOM 784 N ALA A 50 3.599 17.491 -9.257 1.00 0.00 N ATOM 785 CA ALA A 50 4.541 18.083 -10.191 1.00 0.00 C ATOM 786 C ALA A 50 5.921 18.164 -9.535 1.00 0.00 C ATOM 787 O ALA A 50 6.492 19.248 -9.415 1.00 0.00 O ATOM 788 CB ALA A 50 4.025 19.452 -10.638 1.00 0.00 C ATOM 0 H ALA A 50 3.065 18.163 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 50 4.637 17.464 -11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.732 19.896 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.057 19.335 -11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.918 20.102 -9.769 1.00 0.00 H new ATOM 794 N GLY A 51 6.416 17.006 -9.127 1.00 0.00 N ATOM 795 CA GLY A 51 7.717 16.932 -8.486 1.00 0.00 C ATOM 796 C GLY A 51 8.168 15.479 -8.323 1.00 0.00 C ATOM 797 O GLY A 51 9.352 15.174 -8.459 1.00 0.00 O ATOM 0 H GLY A 51 5.939 16.110 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.450 17.479 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.673 17.414 -7.509 1.00 0.00 H new ATOM 801 N GLY A 52 7.199 14.622 -8.035 1.00 0.00 N ATOM 802 CA GLY A 52 7.481 13.208 -7.852 1.00 0.00 C ATOM 803 C GLY A 52 6.894 12.380 -8.997 1.00 0.00 C ATOM 804 O GLY A 52 7.023 12.747 -10.163 1.00 0.00 O ATOM 0 H GLY A 52 6.218 14.879 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.559 13.052 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.064 12.870 -6.903 1.00 0.00 H new ATOM 808 N ASP A 53 6.260 11.278 -8.621 1.00 0.00 N ATOM 809 CA ASP A 53 5.651 10.395 -9.602 1.00 0.00 C ATOM 810 C ASP A 53 4.128 10.490 -9.492 1.00 0.00 C ATOM 811 O ASP A 53 3.559 10.203 -8.440 1.00 0.00 O ATOM 812 CB ASP A 53 6.053 8.939 -9.356 1.00 0.00 C ATOM 813 CG ASP A 53 6.459 8.616 -7.917 1.00 0.00 C ATOM 814 OD1 ASP A 53 7.261 9.399 -7.362 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.960 7.591 -7.403 1.00 0.00 O ATOM 0 H ASP A 53 6.155 10.977 -7.652 1.00 0.00 H new ATOM 0 HA ASP A 53 5.993 10.702 -10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.219 8.295 -9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.883 8.690 -10.017 1.00 0.00 H new ATOM 820 N ALA A 54 3.512 10.894 -10.593 1.00 0.00 N ATOM 821 CA ALA A 54 2.066 11.030 -10.633 1.00 0.00 C ATOM 822 C ALA A 54 1.450 9.739 -11.175 1.00 0.00 C ATOM 823 O ALA A 54 0.254 9.505 -11.020 1.00 0.00 O ATOM 824 CB ALA A 54 1.692 12.251 -11.476 1.00 0.00 C ATOM 0 H ALA A 54 3.987 11.131 -11.464 1.00 0.00 H new ATOM 0 HA ALA A 54 1.668 11.189 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.607 12.354 -11.506 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.129 13.146 -11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.073 12.124 -12.489 1.00 0.00 H new ATOM 830 N THR A 55 2.298 8.933 -11.798 1.00 0.00 N ATOM 831 CA THR A 55 1.853 7.670 -12.363 1.00 0.00 C ATOM 832 C THR A 55 1.047 6.879 -11.331 1.00 0.00 C ATOM 833 O THR A 55 0.129 6.143 -11.687 1.00 0.00 O ATOM 834 CB THR A 55 3.085 6.923 -12.877 1.00 0.00 C ATOM 835 OG1 THR A 55 2.625 5.587 -13.067 1.00 0.00 O ATOM 836 CG2 THR A 55 4.177 6.793 -11.814 1.00 0.00 C ATOM 0 H THR A 55 3.291 9.130 -11.924 1.00 0.00 H new ATOM 0 HA THR A 55 1.177 7.828 -13.204 1.00 0.00 H new ATOM 0 HB THR A 55 3.487 7.441 -13.748 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.360 5.032 -13.401 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.028 6.255 -12.231 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.495 7.786 -11.496 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.787 6.245 -10.956 1.00 0.00 H new ATOM 844 N GLU A 56 1.422 7.058 -10.072 1.00 0.00 N ATOM 845 CA GLU A 56 0.746 6.369 -8.986 1.00 0.00 C ATOM 846 C GLU A 56 -0.685 6.892 -8.835 1.00 0.00 C ATOM 847 O GLU A 56 -1.622 6.110 -8.690 1.00 0.00 O ATOM 848 CB GLU A 56 1.524 6.514 -7.676 1.00 0.00 C ATOM 849 CG GLU A 56 2.157 7.902 -7.565 1.00 0.00 C ATOM 850 CD GLU A 56 2.137 8.399 -6.118 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.017 8.597 -5.601 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.243 8.570 -5.562 1.00 0.00 O ATOM 0 H GLU A 56 2.184 7.670 -9.781 1.00 0.00 H new ATOM 0 HA GLU A 56 0.701 5.307 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.855 6.347 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.301 5.751 -7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.184 7.867 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.618 8.604 -8.202 1.00 0.00 H new ATOM 859 N ASN A 57 -0.806 8.211 -8.874 1.00 0.00 N ATOM 860 CA ASN A 57 -2.105 8.846 -8.742 1.00 0.00 C ATOM 861 C ASN A 57 -2.832 8.793 -10.087 1.00 0.00 C ATOM 862 O ASN A 57 -4.055 8.667 -10.131 1.00 0.00 O ATOM 863 CB ASN A 57 -1.962 10.316 -8.341 1.00 0.00 C ATOM 864 CG ASN A 57 -1.649 10.449 -6.849 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.092 9.562 -6.223 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.037 11.603 -6.315 1.00 0.00 N ATOM 0 H ASN A 57 -0.026 8.857 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.663 8.314 -7.971 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.168 10.781 -8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.883 10.851 -8.572 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.873 11.788 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.498 12.304 -6.895 1.00 0.00 H new ATOM 873 N PHE A 58 -2.049 8.891 -11.152 1.00 0.00 N ATOM 874 CA PHE A 58 -2.602 8.856 -12.495 1.00 0.00 C ATOM 875 C PHE A 58 -3.210 7.486 -12.801 1.00 0.00 C ATOM 876 O PHE A 58 -4.265 7.396 -13.428 1.00 0.00 O ATOM 877 CB PHE A 58 -1.446 9.115 -13.462 1.00 0.00 C ATOM 878 CG PHE A 58 -1.767 8.777 -14.920 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.974 7.484 -15.288 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.846 9.769 -15.847 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.272 7.171 -16.641 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.144 9.456 -17.199 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.350 8.163 -17.568 1.00 0.00 C ATOM 0 H PHE A 58 -1.035 8.995 -11.111 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.389 9.604 -12.593 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.160 10.165 -13.398 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.583 8.530 -13.145 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.912 6.696 -14.552 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.682 10.796 -15.554 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.437 6.145 -16.934 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.207 10.244 -17.935 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.575 7.924 -18.597 1.00 0.00 H new ATOM 893 N GLU A 59 -2.520 6.451 -12.343 1.00 0.00 N ATOM 894 CA GLU A 59 -2.978 5.090 -12.560 1.00 0.00 C ATOM 895 C GLU A 59 -4.075 4.733 -11.556 1.00 0.00 C ATOM 896 O GLU A 59 -4.867 3.822 -11.793 1.00 0.00 O ATOM 897 CB GLU A 59 -1.816 4.099 -12.478 1.00 0.00 C ATOM 898 CG GLU A 59 -1.344 3.927 -11.032 1.00 0.00 C ATOM 899 CD GLU A 59 -2.297 3.021 -10.250 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.733 2.010 -10.841 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.568 3.360 -9.077 1.00 0.00 O ATOM 0 H GLU A 59 -1.646 6.529 -11.822 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.396 5.025 -13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.126 3.135 -12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.989 4.451 -13.095 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.341 3.501 -11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.282 4.901 -10.547 1.00 0.00 H new ATOM 908 N ASP A 60 -4.088 5.469 -10.454 1.00 0.00 N ATOM 909 CA ASP A 60 -5.074 5.242 -9.412 1.00 0.00 C ATOM 910 C ASP A 60 -6.474 5.487 -9.978 1.00 0.00 C ATOM 911 O ASP A 60 -7.327 4.602 -9.938 1.00 0.00 O ATOM 912 CB ASP A 60 -4.865 6.199 -8.236 1.00 0.00 C ATOM 913 CG ASP A 60 -6.095 6.415 -7.352 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.733 5.398 -7.009 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.368 7.594 -7.040 1.00 0.00 O ATOM 0 H ASP A 60 -3.430 6.224 -10.260 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.965 4.215 -9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.053 5.818 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.542 7.164 -8.626 1.00 0.00 H new ATOM 920 N VAL A 61 -6.665 6.693 -10.494 1.00 0.00 N ATOM 921 CA VAL A 61 -7.947 7.065 -11.067 1.00 0.00 C ATOM 922 C VAL A 61 -8.277 6.120 -12.224 1.00 0.00 C ATOM 923 O VAL A 61 -9.431 6.022 -12.641 1.00 0.00 O ATOM 924 CB VAL A 61 -7.925 8.537 -11.485 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.562 8.922 -12.063 1.00 0.00 C ATOM 926 CG2 VAL A 61 -9.048 8.842 -12.479 1.00 0.00 C ATOM 0 H VAL A 61 -5.954 7.424 -10.527 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.741 6.962 -10.327 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.094 9.141 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.573 9.973 -12.352 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.789 8.761 -11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.351 8.307 -12.938 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.010 9.895 -12.760 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.924 8.225 -13.369 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.011 8.624 -12.018 1.00 0.00 H new ATOM 936 N GLY A 62 -7.244 5.449 -12.712 1.00 0.00 N ATOM 937 CA GLY A 62 -7.409 4.515 -13.812 1.00 0.00 C ATOM 938 C GLY A 62 -7.801 5.246 -15.097 1.00 0.00 C ATOM 939 O GLY A 62 -8.970 5.253 -15.481 1.00 0.00 O ATOM 0 H GLY A 62 -6.289 5.534 -12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.481 3.966 -13.970 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.174 3.781 -13.559 1.00 0.00 H new ATOM 943 N HIS A 63 -6.801 5.845 -15.727 1.00 0.00 N ATOM 944 CA HIS A 63 -7.026 6.579 -16.962 1.00 0.00 C ATOM 945 C HIS A 63 -7.283 5.593 -18.104 1.00 0.00 C ATOM 946 O HIS A 63 -6.634 4.552 -18.188 1.00 0.00 O ATOM 947 CB HIS A 63 -5.862 7.529 -17.249 1.00 0.00 C ATOM 948 CG HIS A 63 -5.827 8.744 -16.354 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.942 8.871 -15.296 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.573 9.885 -16.369 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.157 10.039 -14.709 1.00 0.00 C ATOM 952 NE2 HIS A 63 -6.169 10.666 -15.375 1.00 0.00 N ATOM 0 H HIS A 63 -5.833 5.837 -15.406 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.913 7.205 -16.862 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.925 6.983 -17.140 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.921 7.856 -18.287 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.244 8.182 -15.016 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.360 10.115 -17.072 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.624 10.427 -13.853 1.00 0.00 H new ATOM 960 N SER A 64 -8.231 5.958 -18.955 1.00 0.00 N ATOM 961 CA SER A 64 -8.581 5.119 -20.089 1.00 0.00 C ATOM 962 C SER A 64 -7.323 4.755 -20.879 1.00 0.00 C ATOM 963 O SER A 64 -6.308 5.444 -20.789 1.00 0.00 O ATOM 964 CB SER A 64 -9.595 5.817 -20.997 1.00 0.00 C ATOM 965 OG SER A 64 -10.531 4.899 -21.558 1.00 0.00 O ATOM 0 H SER A 64 -8.767 6.823 -18.882 1.00 0.00 H new ATOM 0 HA SER A 64 -9.041 4.206 -19.710 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.130 6.577 -20.427 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.068 6.333 -21.799 1.00 0.00 H new ATOM 0 HG SER A 64 -11.162 5.384 -22.130 1.00 0.00 H new ATOM 971 N THR A 65 -7.431 3.672 -21.636 1.00 0.00 N ATOM 972 CA THR A 65 -6.315 3.208 -22.441 1.00 0.00 C ATOM 973 C THR A 65 -6.110 4.125 -23.650 1.00 0.00 C ATOM 974 O THR A 65 -5.081 4.056 -24.319 1.00 0.00 O ATOM 975 CB THR A 65 -6.580 1.750 -22.823 1.00 0.00 C ATOM 976 OG1 THR A 65 -7.694 1.821 -23.709 1.00 0.00 O ATOM 977 CG2 THR A 65 -7.094 0.921 -21.645 1.00 0.00 C ATOM 0 H THR A 65 -8.275 3.103 -21.708 1.00 0.00 H new ATOM 0 HA THR A 65 -5.381 3.248 -21.880 1.00 0.00 H new ATOM 0 HB THR A 65 -5.664 1.303 -23.209 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.933 0.919 -24.008 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.266 -0.105 -21.970 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.355 0.929 -20.844 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.028 1.347 -21.280 1.00 0.00 H new ATOM 985 N ASP A 66 -7.108 4.963 -23.891 1.00 0.00 N ATOM 986 CA ASP A 66 -7.051 5.891 -25.007 1.00 0.00 C ATOM 987 C ASP A 66 -6.533 7.243 -24.513 1.00 0.00 C ATOM 988 O ASP A 66 -6.625 8.244 -25.222 1.00 0.00 O ATOM 989 CB ASP A 66 -8.440 6.111 -25.612 1.00 0.00 C ATOM 990 CG ASP A 66 -9.118 4.848 -26.149 1.00 0.00 C ATOM 991 OD1 ASP A 66 -9.723 4.133 -25.320 1.00 0.00 O ATOM 992 OD2 ASP A 66 -9.016 4.627 -27.375 1.00 0.00 O ATOM 0 H ASP A 66 -7.960 5.018 -23.333 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.390 5.468 -25.764 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.084 6.557 -24.854 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.356 6.834 -26.424 1.00 0.00 H new ATOM 997 N VAL A 67 -5.998 7.228 -23.301 1.00 0.00 N ATOM 998 CA VAL A 67 -5.464 8.441 -22.704 1.00 0.00 C ATOM 999 C VAL A 67 -4.018 8.637 -23.165 1.00 0.00 C ATOM 1000 O VAL A 67 -3.522 9.762 -23.201 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.604 8.380 -21.182 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -4.280 7.981 -20.526 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.113 9.711 -20.624 1.00 0.00 C ATOM 0 H VAL A 67 -5.923 6.396 -22.716 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.031 9.311 -23.034 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.341 7.613 -20.944 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.406 7.945 -19.444 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.976 6.999 -20.889 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.514 8.714 -20.777 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.204 9.640 -19.540 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.411 10.505 -20.878 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.088 9.937 -21.055 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.383 7.526 -23.506 1.00 0.00 N ATOM 1014 CA ARG A 68 -2.005 7.561 -23.963 1.00 0.00 C ATOM 1015 C ARG A 68 -1.882 8.436 -25.211 1.00 0.00 C ATOM 1016 O ARG A 68 -0.937 9.214 -25.339 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.494 6.155 -24.282 1.00 0.00 C ATOM 1018 CG ARG A 68 -2.191 5.586 -25.520 1.00 0.00 C ATOM 1019 CD ARG A 68 -1.923 4.085 -25.659 1.00 0.00 C ATOM 1020 NE ARG A 68 -0.495 3.853 -25.968 1.00 0.00 N ATOM 1021 CZ ARG A 68 0.034 3.950 -27.195 1.00 0.00 C ATOM 1022 NH1 ARG A 68 -0.745 4.275 -28.236 1.00 0.00 N ATOM 1023 NH2 ARG A 68 1.341 3.720 -27.382 1.00 0.00 N ATOM 0 H ARG A 68 -3.798 6.595 -23.475 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.400 7.981 -23.159 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.417 6.185 -24.448 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.667 5.499 -23.429 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.264 5.763 -25.451 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.839 6.106 -26.411 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.192 3.572 -24.736 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.547 3.667 -26.449 1.00 0.00 H new ATOM 0 HE ARG A 68 0.126 3.603 -25.198 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.740 4.448 -28.094 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.343 4.349 -29.170 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.933 3.471 -26.590 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.743 3.794 -28.316 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.851 8.281 -26.102 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.863 9.048 -27.336 1.00 0.00 C ATOM 1039 C GLU A 69 -3.294 10.490 -27.061 1.00 0.00 C ATOM 1040 O GLU A 69 -3.009 11.389 -27.852 1.00 0.00 O ATOM 1041 CB GLU A 69 -3.771 8.393 -28.379 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.244 8.526 -27.984 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.073 7.380 -28.568 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.746 6.219 -28.239 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.014 7.691 -29.329 1.00 0.00 O ATOM 0 H GLU A 69 -3.633 7.635 -25.994 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.851 9.064 -27.741 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.608 8.858 -29.351 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.512 7.339 -28.482 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.334 8.528 -26.898 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.635 9.480 -28.338 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.974 10.666 -25.937 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.446 11.984 -25.549 1.00 0.00 C ATOM 1054 C LEU A 70 -3.290 12.982 -25.630 1.00 0.00 C ATOM 1055 O LEU A 70 -3.239 13.805 -26.541 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.116 11.928 -24.173 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.453 12.662 -24.048 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.302 14.143 -24.401 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.534 11.980 -24.889 1.00 0.00 C ATOM 0 H LEU A 70 -4.209 9.919 -25.284 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.214 12.332 -26.240 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.272 10.882 -23.909 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.426 12.343 -23.438 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.774 12.611 -23.008 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.267 14.640 -24.304 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.585 14.607 -23.724 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.947 14.238 -25.427 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.474 12.522 -24.782 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.233 11.979 -25.937 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.666 10.953 -24.548 1.00 0.00 H new ATOM 1071 N SER A 71 -2.389 12.873 -24.665 1.00 0.00 N ATOM 1072 CA SER A 71 -1.235 13.756 -24.615 1.00 0.00 C ATOM 1073 C SER A 71 -0.151 13.254 -25.571 1.00 0.00 C ATOM 1074 O SER A 71 0.320 12.126 -25.443 1.00 0.00 O ATOM 1075 CB SER A 71 -0.682 13.860 -23.193 1.00 0.00 C ATOM 1076 OG SER A 71 0.539 14.593 -23.147 1.00 0.00 O ATOM 0 H SER A 71 -2.434 12.187 -23.911 1.00 0.00 H new ATOM 0 HA SER A 71 -1.552 14.752 -24.926 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.419 14.343 -22.552 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.519 12.859 -22.793 1.00 0.00 H new ATOM 0 HG SER A 71 0.859 14.638 -22.222 1.00 0.00 H new ATOM 1082 N LYS A 72 0.212 14.117 -26.509 1.00 0.00 N ATOM 1083 CA LYS A 72 1.231 13.775 -27.486 1.00 0.00 C ATOM 1084 C LYS A 72 2.153 14.978 -27.697 1.00 0.00 C ATOM 1085 O LYS A 72 3.362 14.880 -27.492 1.00 0.00 O ATOM 1086 CB LYS A 72 0.586 13.261 -28.776 1.00 0.00 C ATOM 1087 CG LYS A 72 0.854 11.767 -28.964 1.00 0.00 C ATOM 1088 CD LYS A 72 -0.441 11.013 -29.272 1.00 0.00 C ATOM 1089 CE LYS A 72 -0.203 9.914 -30.310 1.00 0.00 C ATOM 1090 NZ LYS A 72 0.031 8.613 -29.644 1.00 0.00 N ATOM 0 H LYS A 72 -0.182 15.052 -26.613 1.00 0.00 H new ATOM 0 HA LYS A 72 1.851 12.957 -27.119 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.489 13.441 -28.746 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.978 13.815 -29.629 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.566 11.621 -29.776 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.311 11.359 -28.062 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.837 10.574 -28.356 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.193 11.710 -29.642 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.065 9.840 -30.973 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.656 10.171 -30.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.602 8.003 -30.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.537 8.767 -28.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.881 8.153 -29.451 1.00 0.00 H new ATOM 1104 N THR A 73 1.547 16.084 -28.102 1.00 0.00 N ATOM 1105 CA THR A 73 2.298 17.304 -28.343 1.00 0.00 C ATOM 1106 C THR A 73 2.739 17.929 -27.017 1.00 0.00 C ATOM 1107 O THR A 73 3.736 18.646 -26.965 1.00 0.00 O ATOM 1108 CB THR A 73 1.432 18.233 -29.196 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.514 17.679 -30.506 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.040 19.629 -29.343 1.00 0.00 C ATOM 0 H THR A 73 0.544 16.161 -28.269 1.00 0.00 H new ATOM 0 HA THR A 73 3.217 17.101 -28.892 1.00 0.00 H new ATOM 0 HB THR A 73 0.440 18.314 -28.751 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.979 18.220 -31.124 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.386 20.248 -29.957 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.150 20.083 -28.358 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.018 19.552 -29.818 1.00 0.00 H new ATOM 1118 N TYR A 74 1.972 17.634 -25.978 1.00 0.00 N ATOM 1119 CA TYR A 74 2.269 18.158 -24.656 1.00 0.00 C ATOM 1120 C TYR A 74 3.506 17.482 -24.063 1.00 0.00 C ATOM 1121 O TYR A 74 4.298 18.121 -23.372 1.00 0.00 O ATOM 1122 CB TYR A 74 1.055 17.825 -23.786 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.261 18.406 -24.308 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.279 19.649 -24.905 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.431 17.684 -24.182 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.518 20.194 -25.397 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.670 18.229 -24.673 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.653 19.458 -25.256 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.823 19.972 -25.721 1.00 0.00 O ATOM 0 H TYR A 74 1.145 17.039 -26.025 1.00 0.00 H new ATOM 0 HA TYR A 74 2.467 19.229 -24.705 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.959 16.742 -23.713 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.230 18.198 -22.777 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.636 20.214 -25.004 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.417 16.710 -23.715 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.545 21.166 -25.868 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.592 17.675 -24.581 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.549 19.336 -25.553 1.00 0.00 H new ATOM 1139 N ILE A 75 3.636 16.196 -24.356 1.00 0.00 N ATOM 1140 CA ILE A 75 4.763 15.425 -23.861 1.00 0.00 C ATOM 1141 C ILE A 75 6.022 16.295 -23.888 1.00 0.00 C ATOM 1142 O ILE A 75 6.142 17.192 -24.720 1.00 0.00 O ATOM 1143 CB ILE A 75 4.903 14.117 -24.642 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.309 12.945 -23.859 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.360 13.865 -25.034 1.00 0.00 C ATOM 1146 CD1 ILE A 75 5.211 12.555 -22.686 1.00 0.00 C ATOM 0 H ILE A 75 2.978 15.669 -24.931 1.00 0.00 H new ATOM 0 HA ILE A 75 4.598 15.133 -22.824 1.00 0.00 H new ATOM 0 HB ILE A 75 4.333 14.209 -25.566 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.320 13.215 -23.488 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.178 12.090 -24.522 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.431 12.929 -25.588 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.716 14.684 -25.659 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.973 13.802 -24.135 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.765 11.719 -22.146 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.191 12.262 -23.062 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.320 13.405 -22.013 1.00 0.00 H new ATOM 1158 N ILE A 76 6.928 15.998 -22.968 1.00 0.00 N ATOM 1159 CA ILE A 76 8.172 16.742 -22.876 1.00 0.00 C ATOM 1160 C ILE A 76 9.329 15.851 -23.331 1.00 0.00 C ATOM 1161 O ILE A 76 10.187 16.284 -24.099 1.00 0.00 O ATOM 1162 CB ILE A 76 8.352 17.313 -21.468 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.500 16.613 -20.736 1.00 0.00 C ATOM 1164 CG2 ILE A 76 7.044 17.248 -20.678 1.00 0.00 C ATOM 1165 CD1 ILE A 76 10.002 17.463 -19.566 1.00 0.00 C ATOM 0 H ILE A 76 6.825 15.252 -22.280 1.00 0.00 H new ATOM 0 HA ILE A 76 8.151 17.603 -23.544 1.00 0.00 H new ATOM 0 HB ILE A 76 8.621 18.366 -21.558 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.164 15.643 -20.368 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.318 16.425 -21.431 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.200 17.660 -19.681 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.278 17.827 -21.194 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.720 16.211 -20.595 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.817 16.944 -19.062 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.359 18.422 -19.940 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.187 17.629 -18.861 1.00 0.00 H new ATOM 1177 N GLY A 77 9.316 14.621 -22.838 1.00 0.00 N ATOM 1178 CA GLY A 77 10.353 13.664 -23.184 1.00 0.00 C ATOM 1179 C GLY A 77 10.504 12.601 -22.095 1.00 0.00 C ATOM 1180 O GLY A 77 9.606 11.786 -21.888 1.00 0.00 O ATOM 0 H GLY A 77 8.603 14.265 -22.201 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.109 13.186 -24.133 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.301 14.184 -23.323 1.00 0.00 H new ATOM 1184 N GLU A 78 11.647 12.644 -21.425 1.00 0.00 N ATOM 1185 CA GLU A 78 11.928 11.694 -20.362 1.00 0.00 C ATOM 1186 C GLU A 78 13.142 12.150 -19.550 1.00 0.00 C ATOM 1187 O GLU A 78 14.239 12.288 -20.090 1.00 0.00 O ATOM 1188 CB GLU A 78 12.141 10.288 -20.924 1.00 0.00 C ATOM 1189 CG GLU A 78 12.935 10.336 -22.232 1.00 0.00 C ATOM 1190 CD GLU A 78 12.985 8.956 -22.892 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.975 8.597 -23.536 1.00 0.00 O ATOM 1192 OE2 GLU A 78 14.033 8.292 -22.739 1.00 0.00 O ATOM 0 H GLU A 78 12.389 13.322 -21.598 1.00 0.00 H new ATOM 0 HA GLU A 78 11.064 11.656 -19.698 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.672 9.677 -20.194 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.176 9.811 -21.097 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.477 11.053 -22.914 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.948 10.686 -22.034 1.00 0.00 H new ATOM 1199 N LEU A 79 12.905 12.373 -18.265 1.00 0.00 N ATOM 1200 CA LEU A 79 13.966 12.810 -17.374 1.00 0.00 C ATOM 1201 C LEU A 79 15.155 11.854 -17.495 1.00 0.00 C ATOM 1202 O LEU A 79 15.002 10.724 -17.956 1.00 0.00 O ATOM 1203 CB LEU A 79 13.438 12.959 -15.946 1.00 0.00 C ATOM 1204 CG LEU A 79 13.578 11.727 -15.048 1.00 0.00 C ATOM 1205 CD1 LEU A 79 13.345 10.441 -15.842 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.929 11.722 -14.331 1.00 0.00 C ATOM 0 H LEU A 79 11.994 12.259 -17.820 1.00 0.00 H new ATOM 0 HA LEU A 79 14.323 13.799 -17.662 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.959 13.791 -15.472 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.383 13.230 -15.996 1.00 0.00 H new ATOM 0 HG LEU A 79 12.806 11.775 -14.280 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.450 9.581 -15.181 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.341 10.452 -16.266 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.078 10.372 -16.646 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.003 10.836 -13.700 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.732 11.710 -15.068 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.017 12.616 -13.714 1.00 0.00 H new ATOM 1218 N HIS A 80 16.312 12.343 -17.072 1.00 0.00 N ATOM 1219 CA HIS A 80 17.524 11.546 -17.127 1.00 0.00 C ATOM 1220 C HIS A 80 17.199 10.091 -16.785 1.00 0.00 C ATOM 1221 O HIS A 80 16.407 9.823 -15.883 1.00 0.00 O ATOM 1222 CB HIS A 80 18.606 12.139 -16.221 1.00 0.00 C ATOM 1223 CG HIS A 80 20.013 11.938 -16.731 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.903 11.053 -16.148 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.674 12.515 -17.775 1.00 0.00 C ATOM 1226 CE1 HIS A 80 22.044 11.104 -16.817 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.900 12.011 -17.826 1.00 0.00 N ATOM 0 H HIS A 80 16.435 13.281 -16.690 1.00 0.00 H new ATOM 0 HA HIS A 80 17.928 11.564 -18.139 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.422 13.207 -16.104 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.522 11.691 -15.231 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.268 13.257 -18.447 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.933 10.529 -16.602 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.617 12.260 -18.507 1.00 0.00 H new ATOM 1235 N PRO A 81 17.842 9.163 -17.545 1.00 0.00 N ATOM 1236 CA PRO A 81 17.629 7.743 -17.332 1.00 0.00 C ATOM 1237 C PRO A 81 18.352 7.262 -16.072 1.00 0.00 C ATOM 1238 O PRO A 81 17.997 6.231 -15.505 1.00 0.00 O ATOM 1239 CB PRO A 81 18.137 7.074 -18.600 1.00 0.00 C ATOM 1240 CG PRO A 81 19.037 8.095 -19.277 1.00 0.00 C ATOM 1241 CD PRO A 81 18.787 9.444 -18.623 1.00 0.00 C ATOM 0 HA PRO A 81 16.581 7.497 -17.159 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.687 6.162 -18.367 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.310 6.790 -19.250 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.084 7.809 -19.174 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.824 8.143 -20.345 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.711 9.875 -18.237 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.375 10.159 -19.335 1.00 0.00 H new ATOM 1249 N ASP A 82 19.353 8.032 -15.673 1.00 0.00 N ATOM 1250 CA ASP A 82 20.129 7.699 -14.491 1.00 0.00 C ATOM 1251 C ASP A 82 19.339 8.089 -13.240 1.00 0.00 C ATOM 1252 O ASP A 82 19.371 7.381 -12.235 1.00 0.00 O ATOM 1253 CB ASP A 82 21.455 8.461 -14.469 1.00 0.00 C ATOM 1254 CG ASP A 82 22.645 7.673 -13.918 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.650 6.439 -14.117 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.523 8.322 -13.309 1.00 0.00 O ATOM 0 H ASP A 82 19.645 8.886 -16.148 1.00 0.00 H new ATOM 0 HA ASP A 82 20.329 6.628 -14.511 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.689 8.781 -15.484 1.00 0.00 H new ATOM 0 HB3 ASP A 82 21.328 9.364 -13.871 1.00 0.00 H new ATOM 1261 N ASP A 83 18.646 9.214 -13.344 1.00 0.00 N ATOM 1262 CA ASP A 83 17.849 9.707 -12.234 1.00 0.00 C ATOM 1263 C ASP A 83 16.525 8.942 -12.183 1.00 0.00 C ATOM 1264 O ASP A 83 15.928 8.798 -11.117 1.00 0.00 O ATOM 1265 CB ASP A 83 17.529 11.194 -12.402 1.00 0.00 C ATOM 1266 CG ASP A 83 18.673 12.145 -12.044 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.711 12.072 -12.737 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.484 12.924 -11.084 1.00 0.00 O ATOM 0 H ASP A 83 18.620 9.798 -14.180 1.00 0.00 H new ATOM 0 HA ASP A 83 18.422 9.563 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.238 11.373 -13.437 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.666 11.437 -11.782 1.00 0.00 H new ATOM 1273 N ARG A 84 16.105 8.473 -13.348 1.00 0.00 N ATOM 1274 CA ARG A 84 14.862 7.727 -13.452 1.00 0.00 C ATOM 1275 C ARG A 84 14.946 6.441 -12.626 1.00 0.00 C ATOM 1276 O ARG A 84 13.955 6.009 -12.041 1.00 0.00 O ATOM 1277 CB ARG A 84 14.551 7.371 -14.907 1.00 0.00 C ATOM 1278 CG ARG A 84 13.785 6.050 -14.997 1.00 0.00 C ATOM 1279 CD ARG A 84 14.744 4.870 -15.165 1.00 0.00 C ATOM 1280 NE ARG A 84 14.139 3.848 -16.047 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.487 2.553 -16.047 1.00 0.00 C ATOM 1282 NH1 ARG A 84 15.438 2.116 -15.211 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.884 1.697 -16.883 1.00 0.00 N ATOM 0 H ARG A 84 16.604 8.595 -14.229 1.00 0.00 H new ATOM 0 HA ARG A 84 14.062 8.360 -13.067 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.963 8.168 -15.362 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.479 7.296 -15.473 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.186 5.911 -14.097 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.093 6.083 -15.839 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.687 5.215 -15.588 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.971 4.434 -14.192 1.00 0.00 H new ATOM 0 HE ARG A 84 13.411 4.147 -16.696 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.897 2.768 -14.575 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.703 1.131 -15.210 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.160 2.030 -17.520 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.149 0.712 -16.883 1.00 0.00 H new ATOM 1297 N SER A 85 16.140 5.865 -12.607 1.00 0.00 N ATOM 1298 CA SER A 85 16.365 4.636 -11.864 1.00 0.00 C ATOM 1299 C SER A 85 16.652 4.958 -10.395 1.00 0.00 C ATOM 1300 O SER A 85 16.771 4.055 -9.570 1.00 0.00 O ATOM 1301 CB SER A 85 17.520 3.832 -12.466 1.00 0.00 C ATOM 1302 OG SER A 85 17.083 2.976 -13.517 1.00 0.00 O ATOM 0 H SER A 85 16.961 6.226 -13.094 1.00 0.00 H new ATOM 0 HA SER A 85 15.463 4.028 -11.927 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.278 4.516 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.992 3.236 -11.685 1.00 0.00 H new ATOM 0 HG SER A 85 17.849 2.482 -13.876 1.00 0.00 H new ATOM 1308 N LYS A 86 16.754 6.250 -10.115 1.00 0.00 N ATOM 1309 CA LYS A 86 17.025 6.703 -8.761 1.00 0.00 C ATOM 1310 C LYS A 86 15.705 6.844 -8.003 1.00 0.00 C ATOM 1311 O LYS A 86 15.669 6.710 -6.780 1.00 0.00 O ATOM 1312 CB LYS A 86 17.864 7.982 -8.781 1.00 0.00 C ATOM 1313 CG LYS A 86 19.330 7.671 -9.086 1.00 0.00 C ATOM 1314 CD LYS A 86 20.260 8.433 -8.139 1.00 0.00 C ATOM 1315 CE LYS A 86 21.263 7.486 -7.476 1.00 0.00 C ATOM 1316 NZ LYS A 86 20.786 7.081 -6.135 1.00 0.00 N ATOM 0 H LYS A 86 16.654 6.997 -10.803 1.00 0.00 H new ATOM 0 HA LYS A 86 17.624 5.967 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.470 8.668 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.788 8.486 -7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.506 6.600 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.556 7.940 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.794 9.205 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.671 8.938 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.405 6.603 -8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 86 22.233 7.976 -7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 21.478 6.439 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.673 7.925 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.871 6.595 -6.224 1.00 0.00 H new ATOM 1330 N ILE A 87 14.651 7.114 -8.758 1.00 0.00 N ATOM 1331 CA ILE A 87 13.330 7.277 -8.172 1.00 0.00 C ATOM 1332 C ILE A 87 12.813 5.914 -7.710 1.00 0.00 C ATOM 1333 O ILE A 87 11.754 5.826 -7.089 1.00 0.00 O ATOM 1334 CB ILE A 87 12.395 7.991 -9.150 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.671 9.496 -9.172 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.930 7.682 -8.831 1.00 0.00 C ATOM 1337 CD1 ILE A 87 12.152 10.168 -7.899 1.00 0.00 C ATOM 0 H ILE A 87 14.684 7.224 -9.771 1.00 0.00 H new ATOM 0 HA ILE A 87 13.379 7.916 -7.290 1.00 0.00 H new ATOM 0 HB ILE A 87 12.594 7.612 -10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 87 13.742 9.671 -9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.194 9.944 -10.044 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.286 8.201 -9.540 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.760 6.608 -8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.700 8.016 -7.819 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.361 11.237 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.076 10.012 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 87 12.648 9.735 -7.031 1.00 0.00 H new ATOM 1349 N ALA A 88 13.582 4.883 -8.029 1.00 0.00 N ATOM 1350 CA ALA A 88 13.214 3.529 -7.654 1.00 0.00 C ATOM 1351 C ALA A 88 13.203 3.412 -6.129 1.00 0.00 C ATOM 1352 O ALA A 88 14.083 2.782 -5.544 1.00 0.00 O ATOM 1353 CB ALA A 88 14.178 2.537 -8.308 1.00 0.00 C ATOM 0 H ALA A 88 14.459 4.959 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 88 12.212 3.292 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.901 1.521 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.126 2.640 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.195 2.742 -7.972 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.246 12.505 -15.780 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.592 12.277 -15.571 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.449 12.410 -19.169 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.883 12.758 -15.971 1.00 0.00 C HETATM 1364 CHD HEM A 95 -6.028 12.624 -12.376 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.747 12.358 -17.091 1.00 0.00 N HETATM 1366 C1A HEM A 95 -9.078 12.287 -16.793 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.829 12.197 -18.042 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.940 12.242 -19.048 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.639 12.355 -18.453 1.00 0.00 C HETATM 1370 CMA HEM A 95 -9.279 12.140 -20.527 1.00 0.00 C HETATM 1371 CAA HEM A 95 -11.208 11.484 -18.276 1.00 0.00 C HETATM 1372 CBA HEM A 95 -11.358 9.945 -18.282 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.376 9.244 -17.354 1.00 0.00 C HETATM 1374 O1A HEM A 95 -10.778 8.853 -16.229 1.00 0.00 O HETATM 1375 O2A HEM A 95 -9.193 9.063 -17.739 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.919 12.562 -17.264 1.00 0.00 N HETATM 1377 C1B HEM A 95 -5.198 12.506 -18.596 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.971 12.584 -19.371 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.970 12.681 -18.483 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.561 12.687 -17.145 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.809 12.541 -20.882 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.501 12.776 -18.813 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.707 13.702 -18.744 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.745 12.675 -14.440 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.411 12.758 -14.725 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.647 12.835 -13.503 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.563 12.820 -12.464 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.855 12.692 -13.064 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.169 12.957 -13.323 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.198 12.896 -11.018 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.476 12.294 -10.445 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.572 12.465 -14.274 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.286 12.521 -12.923 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.546 12.451 -12.158 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.506 12.354 -13.064 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.914 12.366 -14.381 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.667 12.494 -10.664 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.109 12.492 -12.951 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.748 11.102 -12.715 1.00 0.00 C HETATM 1400 CGD HEM A 95 -13.052 11.209 -11.924 1.00 0.00 C HETATM 1401 O1D HEM A 95 -14.107 11.673 -12.353 1.00 0.00 O HETATM 1402 O2D HEM A 95 -12.784 11.010 -10.642 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.526 12.670 -21.110 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -10.257 12.585 -20.708 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -9.297 11.092 -20.825 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.934 13.123 -21.171 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.696 12.962 -21.355 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.681 11.508 -21.205 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.958 13.501 -12.402 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.743 13.497 -14.169 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.726 11.963 -13.267 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -9.620 12.946 -10.389 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -7.851 13.087 -10.250 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.618 11.481 -10.266 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.332 13.552 -19.039 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -1.037 14.678 -18.388 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -2.330 12.484 -9.382 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -1.907 11.508 -10.941 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -11.215 9.576 -19.298 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -12.375 9.684 -17.989 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.583 11.837 -19.237 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.887 11.860 -17.511 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -11.046 10.465 -12.176 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -11.942 10.623 -13.674 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.509 12.934 -13.863 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.367 13.163 -12.132 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.666 12.189 -15.504 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.508 12.375 -20.247 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.807 12.821 -16.039 1.00 0.00 H new HETATM 0 HHD HEM A 95 -5.965 12.654 -11.298 1.00 0.00 H new HETATM 0 HAB HEM A 95 -1.068 11.846 -19.181 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.724 13.660 -10.446 1.00 0.00 H new