USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 691 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 49 GLN : amide:sc= -0.124 X(o=-0.21,f=-0.35) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.087 K(o=-0.21,f=-1.5) USER MOD Set 2.1: A 35 TYR OH : rot 30:sc= -2.59! USER MOD Set 2.2: A 95 HEM CMA :methyl -30:sc= -1.36 (180deg=-6.41!) USER MOD Set 3.1: A 13 GLN : amide:sc= 0.256 K(o=0.46,f=-0.82) USER MOD Set 3.2: A 16 LYS NZ :NH3+ -134:sc= 0.208 (180deg=-0.334) 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 0:sc= -1.48 USER MOD Single : A 8 THR OG1 : rot 44:sc= 0.571 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-5.6!) 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 20 SER OG : rot 170:sc= 0 USER MOD Single : A 21 THR OG1 : rot 45:sc= 1.23 USER MOD Single : A 26 HIS : no HE2:sc= -8.15 K(o=-8.2,f=-13!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 127:sc= 1.55 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 52:sc= 0.159 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 -50:sc= 0.215 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.486 X(o=-0.49,f=-0.21) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.04) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -1.98! (180deg=-1.98!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -2.95! (180deg=-5.69!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -8.41! (180deg=-13.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 2.918 -0.695 -7.612 1.00 0.00 N ATOM 2 CA VAL A 4 3.586 0.509 -8.074 1.00 0.00 C ATOM 3 C VAL A 4 2.555 1.628 -8.235 1.00 0.00 C ATOM 4 O VAL A 4 1.351 1.382 -8.173 1.00 0.00 O ATOM 5 CB VAL A 4 4.359 0.218 -9.362 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.472 0.422 -10.592 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.623 1.076 -9.449 1.00 0.00 C ATOM 0 HA VAL A 4 4.319 0.845 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 4 4.665 -0.828 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.046 0.209 -11.494 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.616 -0.251 -10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.121 1.454 -10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.154 0.849 -10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.348 2.131 -9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.269 0.860 -8.598 1.00 0.00 H new ATOM 17 N LYS A 5 3.064 2.834 -8.441 1.00 0.00 N ATOM 18 CA LYS A 5 2.202 3.991 -8.612 1.00 0.00 C ATOM 19 C LYS A 5 2.292 4.478 -10.060 1.00 0.00 C ATOM 20 O LYS A 5 3.370 4.833 -10.533 1.00 0.00 O ATOM 21 CB LYS A 5 2.540 5.068 -7.579 1.00 0.00 C ATOM 22 CG LYS A 5 1.342 5.986 -7.333 1.00 0.00 C ATOM 23 CD LYS A 5 0.228 5.247 -6.590 1.00 0.00 C ATOM 24 CE LYS A 5 -0.866 4.789 -7.556 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.046 5.678 -7.461 1.00 0.00 N ATOM 0 H LYS A 5 4.063 3.035 -8.493 1.00 0.00 H new ATOM 0 HA LYS A 5 1.162 3.722 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.841 4.598 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.389 5.657 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.657 6.854 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.964 6.359 -8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.643 4.384 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.203 5.900 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.483 4.791 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.156 3.764 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.779 5.353 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.421 5.655 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.768 6.651 -7.702 1.00 0.00 H new ATOM 39 N TYR A 6 1.144 4.479 -10.722 1.00 0.00 N ATOM 40 CA TYR A 6 1.079 4.918 -12.106 1.00 0.00 C ATOM 41 C TYR A 6 0.542 6.347 -12.205 1.00 0.00 C ATOM 42 O TYR A 6 -0.618 6.601 -11.884 1.00 0.00 O ATOM 43 CB TYR A 6 0.102 3.969 -12.803 1.00 0.00 C ATOM 44 CG TYR A 6 0.538 2.503 -12.785 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.791 2.150 -13.242 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.322 1.532 -12.311 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.202 0.769 -13.225 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.089 0.153 -12.293 1.00 0.00 C ATOM 49 CZ TYR A 6 1.330 -0.160 -12.751 1.00 0.00 C ATOM 50 OH TYR A 6 1.718 -1.465 -12.735 1.00 0.00 O ATOM 0 H TYR A 6 0.252 4.183 -10.326 1.00 0.00 H new ATOM 0 HA TYR A 6 2.070 4.906 -12.559 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.874 4.053 -12.324 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.022 4.288 -13.838 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.464 2.909 -13.613 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.303 1.808 -11.954 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.180 0.479 -13.580 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.574 -0.616 -11.924 1.00 0.00 H new ATOM 0 HH TYR A 6 0.995 -2.017 -12.370 1.00 0.00 H new ATOM 60 N TYR A 7 1.411 7.242 -12.648 1.00 0.00 N ATOM 61 CA TYR A 7 1.038 8.640 -12.793 1.00 0.00 C ATOM 62 C TYR A 7 0.746 8.980 -14.255 1.00 0.00 C ATOM 63 O TYR A 7 1.174 8.267 -15.161 1.00 0.00 O ATOM 64 CB TYR A 7 2.249 9.449 -12.326 1.00 0.00 C ATOM 65 CG TYR A 7 2.798 9.019 -10.964 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.972 9.012 -9.859 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.118 8.638 -10.841 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.488 8.607 -8.577 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.635 8.232 -9.559 1.00 0.00 C ATOM 70 CZ TYR A 7 3.795 8.238 -8.490 1.00 0.00 C ATOM 71 OH TYR A 7 4.283 7.855 -7.280 1.00 0.00 O ATOM 0 H TYR A 7 2.373 7.028 -12.912 1.00 0.00 H new ATOM 0 HA TYR A 7 0.140 8.860 -12.216 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.041 9.360 -13.070 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.973 10.502 -12.279 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.938 9.310 -9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.764 8.644 -11.706 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.852 8.596 -7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.666 7.930 -9.450 1.00 0.00 H new ATOM 0 HH TYR A 7 3.571 7.907 -6.609 1.00 0.00 H new ATOM 81 N THR A 8 0.017 10.071 -14.442 1.00 0.00 N ATOM 82 CA THR A 8 -0.339 10.515 -15.778 1.00 0.00 C ATOM 83 C THR A 8 0.730 11.462 -16.328 1.00 0.00 C ATOM 84 O THR A 8 1.259 12.297 -15.597 1.00 0.00 O ATOM 85 CB THR A 8 -1.732 11.144 -15.713 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.751 11.816 -14.456 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.842 10.098 -15.594 1.00 0.00 C ATOM 0 H THR A 8 -0.337 10.661 -13.689 1.00 0.00 H new ATOM 0 HA THR A 8 -0.377 9.678 -16.475 1.00 0.00 H new ATOM 0 HB THR A 8 -1.899 11.750 -16.604 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.909 12.301 -14.332 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.810 10.598 -15.552 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.813 9.436 -16.460 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.695 9.514 -14.686 1.00 0.00 H new ATOM 95 N LEU A 9 1.016 11.299 -17.611 1.00 0.00 N ATOM 96 CA LEU A 9 2.013 12.128 -18.267 1.00 0.00 C ATOM 97 C LEU A 9 1.764 13.595 -17.909 1.00 0.00 C ATOM 98 O LEU A 9 2.673 14.421 -17.990 1.00 0.00 O ATOM 99 CB LEU A 9 2.029 11.856 -19.773 1.00 0.00 C ATOM 100 CG LEU A 9 1.084 12.711 -20.619 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.299 12.452 -22.111 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.372 12.494 -20.204 1.00 0.00 C ATOM 0 H LEU A 9 0.575 10.605 -18.214 1.00 0.00 H new ATOM 0 HA LEU A 9 3.012 11.877 -17.911 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.045 12.004 -20.138 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.781 10.807 -19.935 1.00 0.00 H new ATOM 0 HG LEU A 9 1.317 13.760 -20.437 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.615 13.072 -22.690 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.327 12.698 -22.379 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.109 11.401 -22.329 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.022 13.114 -20.821 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.636 11.445 -20.338 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.497 12.768 -19.156 1.00 0.00 H new ATOM 114 N GLU A 10 0.528 13.875 -17.523 1.00 0.00 N ATOM 115 CA GLU A 10 0.148 15.229 -17.153 1.00 0.00 C ATOM 116 C GLU A 10 0.937 15.684 -15.924 1.00 0.00 C ATOM 117 O GLU A 10 1.233 16.868 -15.776 1.00 0.00 O ATOM 118 CB GLU A 10 -1.359 15.327 -16.906 1.00 0.00 C ATOM 119 CG GLU A 10 -1.998 16.371 -17.824 1.00 0.00 C ATOM 120 CD GLU A 10 -2.916 15.709 -18.852 1.00 0.00 C ATOM 121 OE1 GLU A 10 -2.498 14.663 -19.395 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.015 16.262 -19.073 1.00 0.00 O ATOM 0 H GLU A 10 -0.223 13.188 -17.458 1.00 0.00 H new ATOM 0 HA GLU A 10 0.390 15.894 -17.982 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.823 14.355 -17.076 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.544 15.591 -15.865 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.568 17.084 -17.228 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.219 16.935 -18.337 1.00 0.00 H new ATOM 129 N GLU A 11 1.253 14.719 -15.073 1.00 0.00 N ATOM 130 CA GLU A 11 2.001 15.006 -13.861 1.00 0.00 C ATOM 131 C GLU A 11 3.385 15.558 -14.210 1.00 0.00 C ATOM 132 O GLU A 11 3.628 16.758 -14.087 1.00 0.00 O ATOM 133 CB GLU A 11 2.114 13.762 -12.978 1.00 0.00 C ATOM 134 CG GLU A 11 1.322 13.935 -11.681 1.00 0.00 C ATOM 135 CD GLU A 11 -0.144 13.548 -11.878 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.380 12.584 -12.638 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.998 14.225 -11.265 1.00 0.00 O ATOM 0 H GLU A 11 1.005 13.738 -15.199 1.00 0.00 H new ATOM 0 HA GLU A 11 1.460 15.765 -13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.744 12.892 -13.521 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.162 13.571 -12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.762 13.319 -10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.387 14.970 -11.347 1.00 0.00 H new ATOM 144 N ILE A 12 4.257 14.656 -14.636 1.00 0.00 N ATOM 145 CA ILE A 12 5.609 15.037 -15.004 1.00 0.00 C ATOM 146 C ILE A 12 5.592 16.442 -15.610 1.00 0.00 C ATOM 147 O ILE A 12 6.479 17.250 -15.338 1.00 0.00 O ATOM 148 CB ILE A 12 6.235 13.982 -15.917 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.156 13.157 -16.621 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.217 13.099 -15.144 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.892 11.847 -15.875 1.00 0.00 C ATOM 0 H ILE A 12 4.053 13.662 -14.734 1.00 0.00 H new ATOM 0 HA ILE A 12 6.246 15.078 -14.120 1.00 0.00 H new ATOM 0 HB ILE A 12 6.805 14.496 -16.691 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.234 13.736 -16.684 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.467 12.941 -17.643 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.647 12.358 -15.817 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.013 13.717 -14.729 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.691 12.592 -14.335 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.121 11.280 -16.397 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.809 11.260 -15.835 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.557 12.067 -14.861 1.00 0.00 H new ATOM 163 N GLN A 13 4.572 16.691 -16.419 1.00 0.00 N ATOM 164 CA GLN A 13 4.428 17.983 -17.065 1.00 0.00 C ATOM 165 C GLN A 13 4.314 19.092 -16.017 1.00 0.00 C ATOM 166 O GLN A 13 5.232 19.893 -15.853 1.00 0.00 O ATOM 167 CB GLN A 13 3.223 17.994 -18.008 1.00 0.00 C ATOM 168 CG GLN A 13 3.585 17.395 -19.369 1.00 0.00 C ATOM 169 CD GLN A 13 3.871 18.495 -20.392 1.00 0.00 C ATOM 170 OE1 GLN A 13 4.808 19.266 -20.268 1.00 0.00 O ATOM 171 NE2 GLN A 13 3.014 18.524 -21.409 1.00 0.00 N ATOM 0 H GLN A 13 3.838 16.019 -16.641 1.00 0.00 H new ATOM 0 HA GLN A 13 5.319 18.168 -17.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.404 17.428 -17.564 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.869 19.017 -18.139 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.459 16.752 -19.267 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.767 16.767 -19.723 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.251 17.849 -21.452 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.120 19.221 -22.146 1.00 0.00 H new ATOM 180 N LYS A 14 3.178 19.101 -15.334 1.00 0.00 N ATOM 181 CA LYS A 14 2.932 20.097 -14.306 1.00 0.00 C ATOM 182 C LYS A 14 4.081 20.078 -13.296 1.00 0.00 C ATOM 183 O LYS A 14 4.403 21.102 -12.697 1.00 0.00 O ATOM 184 CB LYS A 14 1.555 19.886 -13.674 1.00 0.00 C ATOM 185 CG LYS A 14 1.436 18.482 -13.077 1.00 0.00 C ATOM 186 CD LYS A 14 0.015 18.220 -12.573 1.00 0.00 C ATOM 187 CE LYS A 14 -0.975 18.147 -13.738 1.00 0.00 C ATOM 188 NZ LYS A 14 -2.141 19.022 -13.482 1.00 0.00 N ATOM 0 H LYS A 14 2.419 18.434 -15.473 1.00 0.00 H new ATOM 0 HA LYS A 14 2.908 21.096 -14.742 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.390 20.631 -12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.779 20.033 -14.426 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.702 17.739 -13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.144 18.371 -12.255 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.009 17.286 -12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.283 19.013 -11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.482 18.449 -14.662 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.308 17.118 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.803 18.961 -14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.620 18.716 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.820 20.005 -13.373 1.00 0.00 H new ATOM 202 N HIS A 15 4.669 18.900 -13.140 1.00 0.00 N ATOM 203 CA HIS A 15 5.776 18.733 -12.213 1.00 0.00 C ATOM 204 C HIS A 15 7.096 19.005 -12.937 1.00 0.00 C ATOM 205 O HIS A 15 8.046 18.233 -12.813 1.00 0.00 O ATOM 206 CB HIS A 15 5.732 17.351 -11.558 1.00 0.00 C ATOM 207 CG HIS A 15 4.473 17.086 -10.767 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.016 17.939 -9.779 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.582 16.055 -10.830 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.899 17.435 -9.275 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.632 16.267 -9.927 1.00 0.00 N ATOM 0 H HIS A 15 4.400 18.053 -13.640 1.00 0.00 H new ATOM 0 HA HIS A 15 5.690 19.457 -11.403 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.829 16.590 -12.332 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.593 17.246 -10.898 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.640 15.210 -11.500 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.304 17.872 -8.486 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.834 15.657 -9.750 1.00 0.00 H new ATOM 219 N LYS A 16 7.113 20.105 -13.676 1.00 0.00 N ATOM 220 CA LYS A 16 8.301 20.488 -14.419 1.00 0.00 C ATOM 221 C LYS A 16 8.924 21.727 -13.773 1.00 0.00 C ATOM 222 O LYS A 16 9.694 22.444 -14.411 1.00 0.00 O ATOM 223 CB LYS A 16 7.970 20.668 -15.903 1.00 0.00 C ATOM 224 CG LYS A 16 7.061 21.879 -16.119 1.00 0.00 C ATOM 225 CD LYS A 16 6.563 21.940 -17.564 1.00 0.00 C ATOM 226 CE LYS A 16 5.137 22.491 -17.630 1.00 0.00 C ATOM 227 NZ LYS A 16 4.270 21.593 -18.424 1.00 0.00 N ATOM 0 H LYS A 16 6.323 20.743 -13.776 1.00 0.00 H new ATOM 0 HA LYS A 16 9.049 19.696 -14.377 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.891 20.794 -16.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.482 19.770 -16.282 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.210 21.826 -15.439 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.604 22.793 -15.879 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.228 22.570 -18.155 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.592 20.944 -18.005 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.735 22.597 -16.622 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.146 23.486 -18.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.704 22.157 -19.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.860 20.920 -18.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.636 21.070 -17.787 1.00 0.00 H new ATOM 241 N ASP A 17 8.568 21.942 -12.516 1.00 0.00 N ATOM 242 CA ASP A 17 9.081 23.082 -11.777 1.00 0.00 C ATOM 243 C ASP A 17 9.920 22.584 -10.598 1.00 0.00 C ATOM 244 O ASP A 17 9.919 21.394 -10.289 1.00 0.00 O ATOM 245 CB ASP A 17 7.941 23.936 -11.218 1.00 0.00 C ATOM 246 CG ASP A 17 6.720 23.150 -10.739 1.00 0.00 C ATOM 247 OD1 ASP A 17 6.925 22.005 -10.283 1.00 0.00 O ATOM 248 OD2 ASP A 17 5.608 23.713 -10.839 1.00 0.00 O ATOM 0 H ASP A 17 7.930 21.345 -11.990 1.00 0.00 H new ATOM 0 HA ASP A 17 9.680 23.684 -12.460 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.324 24.526 -10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.623 24.639 -11.988 1.00 0.00 H new ATOM 253 N SER A 18 10.617 23.521 -9.971 1.00 0.00 N ATOM 254 CA SER A 18 11.459 23.192 -8.833 1.00 0.00 C ATOM 255 C SER A 18 10.620 22.534 -7.735 1.00 0.00 C ATOM 256 O SER A 18 10.987 21.482 -7.215 1.00 0.00 O ATOM 257 CB SER A 18 12.161 24.437 -8.290 1.00 0.00 C ATOM 258 OG SER A 18 13.580 24.310 -8.330 1.00 0.00 O ATOM 0 H SER A 18 10.616 24.508 -10.230 1.00 0.00 H new ATOM 0 HA SER A 18 12.225 22.492 -9.165 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.858 25.307 -8.873 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.842 24.614 -7.263 1.00 0.00 H new ATOM 0 HG SER A 18 13.992 25.126 -7.976 1.00 0.00 H new ATOM 264 N LYS A 19 9.510 23.183 -7.414 1.00 0.00 N ATOM 265 CA LYS A 19 8.617 22.674 -6.387 1.00 0.00 C ATOM 266 C LYS A 19 8.426 21.168 -6.583 1.00 0.00 C ATOM 267 O LYS A 19 8.496 20.401 -5.624 1.00 0.00 O ATOM 268 CB LYS A 19 7.306 23.463 -6.378 1.00 0.00 C ATOM 269 CG LYS A 19 6.638 23.433 -7.754 1.00 0.00 C ATOM 270 CD LYS A 19 5.263 24.103 -7.712 1.00 0.00 C ATOM 271 CE LYS A 19 5.283 25.442 -8.452 1.00 0.00 C ATOM 272 NZ LYS A 19 5.539 26.553 -7.509 1.00 0.00 N ATOM 0 H LYS A 19 9.209 24.056 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 19 9.055 22.815 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.630 23.044 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.501 24.495 -6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.272 23.941 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.533 22.401 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.520 23.445 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.963 24.260 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.054 25.427 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.330 25.599 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.549 27.454 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.789 26.577 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.459 26.410 -7.046 1.00 0.00 H new ATOM 286 N SER A 20 8.191 20.791 -7.830 1.00 0.00 N ATOM 287 CA SER A 20 7.990 19.392 -8.165 1.00 0.00 C ATOM 288 C SER A 20 8.728 19.051 -9.460 1.00 0.00 C ATOM 289 O SER A 20 8.211 19.284 -10.552 1.00 0.00 O ATOM 290 CB SER A 20 6.502 19.066 -8.299 1.00 0.00 C ATOM 291 OG SER A 20 5.837 19.071 -7.038 1.00 0.00 O ATOM 0 H SER A 20 8.135 21.431 -8.622 1.00 0.00 H new ATOM 0 HA SER A 20 8.395 18.786 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.030 19.793 -8.960 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.386 18.088 -8.766 1.00 0.00 H new ATOM 0 HG SER A 20 4.869 19.019 -7.179 1.00 0.00 H new ATOM 297 N THR A 21 9.924 18.506 -9.297 1.00 0.00 N ATOM 298 CA THR A 21 10.738 18.132 -10.442 1.00 0.00 C ATOM 299 C THR A 21 10.691 16.618 -10.657 1.00 0.00 C ATOM 300 O THR A 21 11.241 15.857 -9.862 1.00 0.00 O ATOM 301 CB THR A 21 12.152 18.669 -10.213 1.00 0.00 C ATOM 302 OG1 THR A 21 12.059 20.049 -10.557 1.00 0.00 O ATOM 303 CG2 THR A 21 13.163 18.102 -11.211 1.00 0.00 C ATOM 0 H THR A 21 10.349 18.314 -8.390 1.00 0.00 H new ATOM 0 HA THR A 21 10.353 18.572 -11.362 1.00 0.00 H new ATOM 0 HB THR A 21 12.471 18.429 -9.199 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.246 20.430 -10.165 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.150 18.516 -11.004 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.197 17.017 -11.117 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.863 18.369 -12.224 1.00 0.00 H new ATOM 311 N TRP A 22 10.029 16.226 -11.736 1.00 0.00 N ATOM 312 CA TRP A 22 9.903 14.816 -12.066 1.00 0.00 C ATOM 313 C TRP A 22 10.609 14.579 -13.402 1.00 0.00 C ATOM 314 O TRP A 22 10.786 15.508 -14.188 1.00 0.00 O ATOM 315 CB TRP A 22 8.435 14.385 -12.079 1.00 0.00 C ATOM 316 CG TRP A 22 7.900 13.954 -10.712 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.391 14.256 -9.501 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.745 13.126 -10.463 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.640 13.685 -8.495 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.606 12.977 -9.098 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.847 12.525 -11.361 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.581 12.228 -8.509 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.827 11.779 -10.756 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.674 11.618 -9.385 1.00 0.00 C ATOM 0 H TRP A 22 9.574 16.860 -12.393 1.00 0.00 H new ATOM 0 HA TRP A 22 10.380 14.197 -11.306 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.828 15.210 -12.451 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.316 13.560 -12.781 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.264 14.869 -9.335 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.811 13.767 -7.493 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.936 12.630 -12.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.494 12.126 -7.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.109 11.295 -11.401 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.859 11.025 -8.996 1.00 0.00 H new ATOM 335 N VAL A 23 10.992 13.329 -13.619 1.00 0.00 N ATOM 336 CA VAL A 23 11.674 12.958 -14.848 1.00 0.00 C ATOM 337 C VAL A 23 11.468 11.465 -15.108 1.00 0.00 C ATOM 338 O VAL A 23 11.809 10.631 -14.270 1.00 0.00 O ATOM 339 CB VAL A 23 13.150 13.353 -14.766 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.798 12.791 -13.500 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.907 12.902 -16.017 1.00 0.00 C ATOM 0 H VAL A 23 10.843 12.561 -12.965 1.00 0.00 H new ATOM 0 HA VAL A 23 11.254 13.497 -15.697 1.00 0.00 H new ATOM 0 HB VAL A 23 13.205 14.440 -14.715 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.847 13.086 -13.466 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.282 13.182 -12.623 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.727 11.703 -13.507 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.954 13.195 -15.934 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.840 11.818 -16.112 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.468 13.371 -16.897 1.00 0.00 H new ATOM 351 N ILE A 24 10.909 11.172 -16.275 1.00 0.00 N ATOM 352 CA ILE A 24 10.654 9.793 -16.656 1.00 0.00 C ATOM 353 C ILE A 24 11.986 9.083 -16.907 1.00 0.00 C ATOM 354 O ILE A 24 12.710 9.425 -17.840 1.00 0.00 O ATOM 355 CB ILE A 24 9.693 9.736 -17.845 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.404 10.504 -17.545 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.416 8.289 -18.257 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.651 10.835 -18.835 1.00 0.00 C ATOM 0 H ILE A 24 10.626 11.866 -16.967 1.00 0.00 H new ATOM 0 HA ILE A 24 10.156 9.259 -15.847 1.00 0.00 H new ATOM 0 HB ILE A 24 10.170 10.226 -18.694 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.767 9.910 -16.890 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.641 11.424 -17.011 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.730 8.277 -19.104 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.351 7.806 -18.540 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.969 7.752 -17.421 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.739 11.381 -18.594 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.282 11.449 -19.477 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.395 9.911 -19.354 1.00 0.00 H new ATOM 370 N LEU A 25 12.268 8.105 -16.058 1.00 0.00 N ATOM 371 CA LEU A 25 13.499 7.344 -16.176 1.00 0.00 C ATOM 372 C LEU A 25 13.164 5.856 -16.301 1.00 0.00 C ATOM 373 O LEU A 25 12.613 5.261 -15.376 1.00 0.00 O ATOM 374 CB LEU A 25 14.442 7.666 -15.014 1.00 0.00 C ATOM 375 CG LEU A 25 15.676 8.501 -15.365 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.296 9.705 -16.229 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.432 8.917 -14.102 1.00 0.00 C ATOM 0 H LEU A 25 11.664 7.823 -15.286 1.00 0.00 H new ATOM 0 HA LEU A 25 14.036 7.628 -17.081 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.875 8.195 -14.248 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.776 6.727 -14.572 1.00 0.00 H new ATOM 0 HG LEU A 25 16.351 7.882 -15.956 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.191 10.281 -16.464 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.835 9.358 -17.154 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.591 10.335 -15.686 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.304 9.509 -14.379 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.777 9.511 -13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.754 8.027 -13.561 1.00 0.00 H new ATOM 389 N HIS A 26 13.511 5.299 -17.451 1.00 0.00 N ATOM 390 CA HIS A 26 13.254 3.892 -17.709 1.00 0.00 C ATOM 391 C HIS A 26 11.879 3.511 -17.154 1.00 0.00 C ATOM 392 O HIS A 26 11.764 2.588 -16.351 1.00 0.00 O ATOM 393 CB HIS A 26 14.380 3.022 -17.148 1.00 0.00 C ATOM 394 CG HIS A 26 15.724 3.708 -17.109 1.00 0.00 C ATOM 395 ND1 HIS A 26 15.988 4.798 -16.298 1.00 0.00 N ATOM 396 CD2 HIS A 26 16.878 3.447 -17.789 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.245 5.169 -16.490 1.00 0.00 C ATOM 398 NE2 HIS A 26 17.795 4.330 -17.415 1.00 0.00 N ATOM 0 H HIS A 26 13.968 5.796 -18.215 1.00 0.00 H new ATOM 0 HA HIS A 26 13.236 3.714 -18.784 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.114 2.708 -16.139 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.462 2.118 -17.752 1.00 0.00 H new ATOM 0 HD1 HIS A 26 15.326 5.241 -15.660 1.00 0.00 H new ATOM 0 HD2 HIS A 26 17.021 2.655 -18.510 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.746 5.991 -16.001 1.00 0.00 H new ATOM 406 N HIS A 27 10.872 4.244 -17.605 1.00 0.00 N ATOM 407 CA HIS A 27 9.509 3.995 -17.165 1.00 0.00 C ATOM 408 C HIS A 27 9.438 4.093 -15.639 1.00 0.00 C ATOM 409 O HIS A 27 8.956 3.175 -14.978 1.00 0.00 O ATOM 410 CB HIS A 27 9.002 2.654 -17.698 1.00 0.00 C ATOM 411 CG HIS A 27 9.290 2.427 -19.163 1.00 0.00 C ATOM 412 ND1 HIS A 27 8.784 3.241 -20.161 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.036 1.470 -19.787 1.00 0.00 C ATOM 414 CE1 HIS A 27 9.212 2.786 -21.329 1.00 0.00 C ATOM 415 NE2 HIS A 27 9.987 1.687 -21.095 1.00 0.00 N ATOM 0 H HIS A 27 10.972 5.010 -18.271 1.00 0.00 H new ATOM 0 HA HIS A 27 8.845 4.756 -17.575 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.457 1.850 -17.120 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.926 2.594 -17.536 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.575 0.671 -19.299 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.987 3.210 -22.297 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.452 1.125 -21.808 1.00 0.00 H new ATOM 423 N LYS A 28 9.924 5.213 -15.127 1.00 0.00 N ATOM 424 CA LYS A 28 9.921 5.443 -13.692 1.00 0.00 C ATOM 425 C LYS A 28 10.305 6.897 -13.411 1.00 0.00 C ATOM 426 O LYS A 28 11.469 7.271 -13.543 1.00 0.00 O ATOM 427 CB LYS A 28 10.816 4.423 -12.985 1.00 0.00 C ATOM 428 CG LYS A 28 10.019 3.610 -11.963 1.00 0.00 C ATOM 429 CD LYS A 28 10.776 2.342 -11.561 1.00 0.00 C ATOM 430 CE LYS A 28 10.705 2.118 -10.049 1.00 0.00 C ATOM 431 NZ LYS A 28 10.556 0.677 -9.745 1.00 0.00 N ATOM 0 H LYS A 28 10.323 5.972 -15.680 1.00 0.00 H new ATOM 0 HA LYS A 28 8.921 5.293 -13.284 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.261 3.753 -13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.636 4.938 -12.485 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.826 4.218 -11.079 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.050 3.342 -12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.353 1.482 -12.080 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.818 2.422 -11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.608 2.504 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.864 2.672 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.509 0.543 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.682 0.319 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.372 0.156 -10.126 1.00 0.00 H new ATOM 445 N VAL A 29 9.304 7.677 -13.030 1.00 0.00 N ATOM 446 CA VAL A 29 9.522 9.082 -12.730 1.00 0.00 C ATOM 447 C VAL A 29 10.395 9.202 -11.480 1.00 0.00 C ATOM 448 O VAL A 29 10.222 8.449 -10.522 1.00 0.00 O ATOM 449 CB VAL A 29 8.179 9.802 -12.593 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.284 9.529 -13.803 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.477 9.410 -11.291 1.00 0.00 C ATOM 0 H VAL A 29 8.340 7.363 -12.922 1.00 0.00 H new ATOM 0 HA VAL A 29 10.055 9.569 -13.547 1.00 0.00 H new ATOM 0 HB VAL A 29 8.376 10.874 -12.558 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.336 10.053 -13.680 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.778 9.882 -14.708 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.099 8.458 -13.884 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.525 9.936 -11.218 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.299 8.335 -11.283 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.106 9.680 -10.443 1.00 0.00 H new ATOM 461 N TYR A 30 11.317 10.153 -11.529 1.00 0.00 N ATOM 462 CA TYR A 30 12.217 10.381 -10.413 1.00 0.00 C ATOM 463 C TYR A 30 12.006 11.774 -9.814 1.00 0.00 C ATOM 464 O TYR A 30 12.364 12.778 -10.426 1.00 0.00 O ATOM 465 CB TYR A 30 13.632 10.297 -10.988 1.00 0.00 C ATOM 466 CG TYR A 30 14.198 8.876 -11.045 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.376 7.796 -10.792 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.528 8.674 -11.348 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.906 6.459 -10.845 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.059 7.337 -11.402 1.00 0.00 C ATOM 471 CZ TYR A 30 15.223 6.295 -11.148 1.00 0.00 C ATOM 472 OH TYR A 30 15.724 5.032 -11.198 1.00 0.00 O ATOM 0 H TYR A 30 11.459 10.774 -12.325 1.00 0.00 H new ATOM 0 HA TYR A 30 12.042 9.650 -9.624 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.630 10.717 -11.994 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.295 10.917 -10.385 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.335 7.955 -10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.171 9.519 -11.545 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.274 5.606 -10.649 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.099 7.165 -11.639 1.00 0.00 H new ATOM 0 HH TYR A 30 16.676 5.067 -11.426 1.00 0.00 H new ATOM 482 N ASP A 31 11.425 11.788 -8.623 1.00 0.00 N ATOM 483 CA ASP A 31 11.162 13.040 -7.934 1.00 0.00 C ATOM 484 C ASP A 31 12.450 13.532 -7.270 1.00 0.00 C ATOM 485 O ASP A 31 12.620 13.395 -6.060 1.00 0.00 O ATOM 486 CB ASP A 31 10.108 12.856 -6.841 1.00 0.00 C ATOM 487 CG ASP A 31 9.718 14.135 -6.096 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.646 15.184 -6.770 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.500 14.033 -4.869 1.00 0.00 O ATOM 0 H ASP A 31 11.129 10.953 -8.118 1.00 0.00 H new ATOM 0 HA ASP A 31 10.799 13.759 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.212 12.427 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.480 12.131 -6.117 1.00 0.00 H new ATOM 494 N LEU A 32 13.323 14.096 -8.091 1.00 0.00 N ATOM 495 CA LEU A 32 14.590 14.610 -7.600 1.00 0.00 C ATOM 496 C LEU A 32 14.434 16.093 -7.256 1.00 0.00 C ATOM 497 O LEU A 32 15.328 16.893 -7.527 1.00 0.00 O ATOM 498 CB LEU A 32 15.709 14.325 -8.603 1.00 0.00 C ATOM 499 CG LEU A 32 15.680 15.148 -9.893 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.975 15.943 -10.066 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.387 14.259 -11.103 1.00 0.00 C ATOM 0 H LEU A 32 13.178 14.208 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 32 14.879 14.098 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.665 14.495 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.671 13.269 -8.869 1.00 0.00 H new ATOM 0 HG LEU A 32 14.867 15.870 -9.819 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.928 16.519 -10.990 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.101 16.621 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.820 15.256 -10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.372 14.868 -12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.162 13.498 -11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.418 13.777 -10.974 1.00 0.00 H new ATOM 513 N THR A 33 13.294 16.415 -6.664 1.00 0.00 N ATOM 514 CA THR A 33 13.011 17.786 -6.280 1.00 0.00 C ATOM 515 C THR A 33 14.074 18.298 -5.307 1.00 0.00 C ATOM 516 O THR A 33 14.649 19.366 -5.515 1.00 0.00 O ATOM 517 CB THR A 33 11.592 17.834 -5.710 1.00 0.00 C ATOM 518 OG1 THR A 33 10.781 17.295 -6.750 1.00 0.00 O ATOM 519 CG2 THR A 33 11.077 19.266 -5.540 1.00 0.00 C ATOM 0 H THR A 33 12.555 15.749 -6.441 1.00 0.00 H new ATOM 0 HA THR A 33 13.054 18.454 -7.140 1.00 0.00 H new ATOM 0 HB THR A 33 11.571 17.324 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.237 16.562 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.066 19.243 -5.133 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.731 19.809 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.067 19.766 -6.508 1.00 0.00 H new ATOM 527 N LYS A 34 14.304 17.513 -4.264 1.00 0.00 N ATOM 528 CA LYS A 34 15.288 17.874 -3.259 1.00 0.00 C ATOM 529 C LYS A 34 16.689 17.801 -3.871 1.00 0.00 C ATOM 530 O LYS A 34 17.531 18.657 -3.606 1.00 0.00 O ATOM 531 CB LYS A 34 15.118 17.008 -2.008 1.00 0.00 C ATOM 532 CG LYS A 34 13.638 16.787 -1.691 1.00 0.00 C ATOM 533 CD LYS A 34 13.271 15.305 -1.787 1.00 0.00 C ATOM 534 CE LYS A 34 11.960 15.114 -2.551 1.00 0.00 C ATOM 535 NZ LYS A 34 10.840 14.882 -1.612 1.00 0.00 N ATOM 0 H LYS A 34 13.825 16.628 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 34 15.137 18.902 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.609 16.046 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.607 17.487 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.418 17.155 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.024 17.363 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.071 14.760 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.177 14.884 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.755 15.995 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.050 14.269 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.958 14.754 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.030 14.028 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.744 15.700 -0.977 1.00 0.00 H new ATOM 549 N TYR A 35 16.892 16.772 -4.680 1.00 0.00 N ATOM 550 CA TYR A 35 18.175 16.576 -5.333 1.00 0.00 C ATOM 551 C TYR A 35 18.214 17.284 -6.688 1.00 0.00 C ATOM 552 O TYR A 35 18.979 16.900 -7.571 1.00 0.00 O ATOM 553 CB TYR A 35 18.310 15.068 -5.553 1.00 0.00 C ATOM 554 CG TYR A 35 19.636 14.649 -6.194 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.762 14.496 -5.411 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.704 14.425 -7.554 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.009 14.102 -6.013 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.952 14.030 -8.156 1.00 0.00 C ATOM 559 CZ TYR A 35 22.043 13.888 -7.356 1.00 0.00 C ATOM 560 OH TYR A 35 23.221 13.516 -7.925 1.00 0.00 O ATOM 0 H TYR A 35 16.190 16.065 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 35 18.982 16.983 -4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.205 14.560 -4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.489 14.728 -6.185 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.708 14.672 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.823 14.546 -8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.898 13.979 -5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.020 13.851 -9.219 1.00 0.00 H new ATOM 0 HH TYR A 35 23.751 13.008 -7.276 1.00 0.00 H new ATOM 570 N LEU A 36 17.379 18.305 -6.811 1.00 0.00 N ATOM 571 CA LEU A 36 17.307 19.070 -8.045 1.00 0.00 C ATOM 572 C LEU A 36 18.455 20.081 -8.079 1.00 0.00 C ATOM 573 O LEU A 36 19.171 20.181 -9.075 1.00 0.00 O ATOM 574 CB LEU A 36 15.924 19.703 -8.204 1.00 0.00 C ATOM 575 CG LEU A 36 15.781 20.728 -9.331 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.448 22.053 -8.955 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.319 20.170 -10.651 1.00 0.00 C ATOM 0 H LEU A 36 16.746 18.621 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 36 17.432 18.415 -8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.199 18.906 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.657 20.186 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 36 14.720 20.931 -9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.332 22.764 -9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.979 22.454 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.509 21.886 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.206 20.918 -11.435 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.374 19.920 -10.537 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.761 19.273 -10.921 1.00 0.00 H new ATOM 589 N GLU A 37 18.594 20.807 -6.979 1.00 0.00 N ATOM 590 CA GLU A 37 19.642 21.809 -6.871 1.00 0.00 C ATOM 591 C GLU A 37 20.914 21.184 -6.293 1.00 0.00 C ATOM 592 O GLU A 37 21.962 21.827 -6.256 1.00 0.00 O ATOM 593 CB GLU A 37 19.181 22.995 -6.024 1.00 0.00 C ATOM 594 CG GLU A 37 18.161 23.848 -6.783 1.00 0.00 C ATOM 595 CD GLU A 37 18.379 25.337 -6.509 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.945 25.784 -5.425 1.00 0.00 O ATOM 597 OE2 GLU A 37 18.974 25.996 -7.388 1.00 0.00 O ATOM 0 H GLU A 37 17.999 20.722 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 37 19.865 22.184 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 37 18.739 22.633 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.040 23.607 -5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.245 23.655 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.151 23.564 -6.486 1.00 0.00 H new ATOM 604 N GLU A 38 20.779 19.941 -5.857 1.00 0.00 N ATOM 605 CA GLU A 38 21.905 19.223 -5.283 1.00 0.00 C ATOM 606 C GLU A 38 22.707 18.525 -6.383 1.00 0.00 C ATOM 607 O GLU A 38 23.889 18.234 -6.207 1.00 0.00 O ATOM 608 CB GLU A 38 21.435 18.221 -4.227 1.00 0.00 C ATOM 609 CG GLU A 38 22.111 18.486 -2.880 1.00 0.00 C ATOM 610 CD GLU A 38 23.633 18.411 -3.005 1.00 0.00 C ATOM 611 OE1 GLU A 38 24.110 17.371 -3.508 1.00 0.00 O ATOM 612 OE2 GLU A 38 24.286 19.395 -2.596 1.00 0.00 O ATOM 0 H GLU A 38 19.907 19.412 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 38 22.556 19.944 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.353 18.287 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.660 17.207 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 38 21.821 19.470 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.767 17.757 -2.147 1.00 0.00 H new ATOM 619 N HIS A 39 22.031 18.276 -7.496 1.00 0.00 N ATOM 620 CA HIS A 39 22.665 17.618 -8.625 1.00 0.00 C ATOM 621 C HIS A 39 23.986 18.318 -8.951 1.00 0.00 C ATOM 622 O HIS A 39 24.018 19.531 -9.148 1.00 0.00 O ATOM 623 CB HIS A 39 21.716 17.557 -9.822 1.00 0.00 C ATOM 624 CG HIS A 39 22.100 16.530 -10.861 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.038 16.778 -12.221 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.552 15.250 -10.723 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.436 15.691 -12.863 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.753 14.744 -11.934 1.00 0.00 N ATOM 0 H HIS A 39 21.051 18.518 -7.639 1.00 0.00 H new ATOM 0 HA HIS A 39 22.895 16.585 -8.365 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.710 17.337 -9.464 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.679 18.539 -10.293 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.737 17.650 -12.655 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.718 14.736 -9.788 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.499 15.574 -13.935 1.00 0.00 H new ATOM 636 N PRO A 40 25.073 17.501 -9.000 1.00 0.00 N ATOM 637 CA PRO A 40 26.394 18.029 -9.299 1.00 0.00 C ATOM 638 C PRO A 40 26.529 18.355 -10.788 1.00 0.00 C ATOM 639 O PRO A 40 27.273 19.260 -11.163 1.00 0.00 O ATOM 640 CB PRO A 40 27.361 16.952 -8.836 1.00 0.00 C ATOM 641 CG PRO A 40 26.543 15.676 -8.725 1.00 0.00 C ATOM 642 CD PRO A 40 25.073 16.059 -8.772 1.00 0.00 C ATOM 0 HA PRO A 40 26.596 18.972 -8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.179 16.831 -9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.807 17.214 -7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.786 14.995 -9.540 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.772 15.155 -7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.552 15.532 -9.571 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.568 15.805 -7.840 1.00 0.00 H new ATOM 650 N GLY A 41 25.798 17.601 -11.595 1.00 0.00 N ATOM 651 CA GLY A 41 25.828 17.798 -13.035 1.00 0.00 C ATOM 652 C GLY A 41 25.256 19.166 -13.412 1.00 0.00 C ATOM 653 O GLY A 41 25.985 20.040 -13.880 1.00 0.00 O ATOM 0 H GLY A 41 25.181 16.852 -11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.853 17.716 -13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.254 17.012 -13.525 1.00 0.00 H new ATOM 657 N GLY A 42 23.957 19.309 -13.193 1.00 0.00 N ATOM 658 CA GLY A 42 23.280 20.556 -13.506 1.00 0.00 C ATOM 659 C GLY A 42 21.825 20.523 -13.030 1.00 0.00 C ATOM 660 O GLY A 42 21.208 19.460 -12.986 1.00 0.00 O ATOM 0 H GLY A 42 23.356 18.583 -12.803 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.803 21.387 -13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.311 20.731 -14.581 1.00 0.00 H new ATOM 664 N GLU A 43 21.321 21.699 -12.687 1.00 0.00 N ATOM 665 CA GLU A 43 19.951 21.819 -12.217 1.00 0.00 C ATOM 666 C GLU A 43 19.000 22.009 -13.400 1.00 0.00 C ATOM 667 O GLU A 43 17.808 21.721 -13.295 1.00 0.00 O ATOM 668 CB GLU A 43 19.814 22.964 -11.213 1.00 0.00 C ATOM 669 CG GLU A 43 20.255 24.292 -11.832 1.00 0.00 C ATOM 670 CD GLU A 43 19.720 25.477 -11.025 1.00 0.00 C ATOM 671 OE1 GLU A 43 19.732 25.367 -9.780 1.00 0.00 O ATOM 672 OE2 GLU A 43 19.313 26.466 -11.671 1.00 0.00 O ATOM 0 H GLU A 43 21.837 22.578 -12.725 1.00 0.00 H new ATOM 0 HA GLU A 43 19.681 20.896 -11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.778 23.039 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.417 22.752 -10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.343 24.336 -11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.896 24.355 -12.859 1.00 0.00 H new ATOM 679 N GLU A 44 19.561 22.493 -14.498 1.00 0.00 N ATOM 680 CA GLU A 44 18.776 22.726 -15.699 1.00 0.00 C ATOM 681 C GLU A 44 18.593 21.420 -16.474 1.00 0.00 C ATOM 682 O GLU A 44 17.468 21.026 -16.777 1.00 0.00 O ATOM 683 CB GLU A 44 19.423 23.799 -16.577 1.00 0.00 C ATOM 684 CG GLU A 44 19.503 25.136 -15.839 1.00 0.00 C ATOM 685 CD GLU A 44 18.873 26.258 -16.667 1.00 0.00 C ATOM 686 OE1 GLU A 44 17.652 26.161 -16.917 1.00 0.00 O ATOM 687 OE2 GLU A 44 19.626 27.187 -17.031 1.00 0.00 O ATOM 0 H GLU A 44 20.549 22.730 -14.582 1.00 0.00 H new ATOM 0 HA GLU A 44 17.793 23.091 -15.402 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.424 23.480 -16.869 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.847 23.920 -17.494 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.992 25.057 -14.879 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.545 25.377 -15.627 1.00 0.00 H new ATOM 694 N VAL A 45 19.717 20.784 -16.774 1.00 0.00 N ATOM 695 CA VAL A 45 19.695 19.531 -17.509 1.00 0.00 C ATOM 696 C VAL A 45 18.531 18.672 -17.010 1.00 0.00 C ATOM 697 O VAL A 45 17.977 17.873 -17.762 1.00 0.00 O ATOM 698 CB VAL A 45 21.049 18.830 -17.389 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.703 19.129 -16.038 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.907 17.322 -17.606 1.00 0.00 C ATOM 0 H VAL A 45 20.649 21.114 -16.521 1.00 0.00 H new ATOM 0 HA VAL A 45 19.532 19.714 -18.571 1.00 0.00 H new ATOM 0 HB VAL A 45 21.699 19.222 -18.171 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.664 18.619 -15.978 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.856 20.204 -15.938 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.055 18.778 -15.235 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.884 16.848 -17.515 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.232 16.909 -16.857 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.503 17.134 -18.601 1.00 0.00 H new ATOM 710 N LEU A 46 18.193 18.868 -15.743 1.00 0.00 N ATOM 711 CA LEU A 46 17.105 18.121 -15.135 1.00 0.00 C ATOM 712 C LEU A 46 15.779 18.816 -15.448 1.00 0.00 C ATOM 713 O LEU A 46 14.901 18.229 -16.080 1.00 0.00 O ATOM 714 CB LEU A 46 17.360 17.929 -13.639 1.00 0.00 C ATOM 715 CG LEU A 46 18.813 17.676 -13.232 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.073 18.152 -11.801 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.190 16.206 -13.425 1.00 0.00 C ATOM 0 H LEU A 46 18.653 19.533 -15.122 1.00 0.00 H new ATOM 0 HA LEU A 46 17.047 17.118 -15.557 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.006 18.816 -13.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.755 17.091 -13.292 1.00 0.00 H new ATOM 0 HG LEU A 46 19.457 18.261 -13.888 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.113 17.960 -11.537 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.872 19.221 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.419 17.614 -11.114 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.228 16.055 -13.128 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.542 15.581 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.069 15.934 -14.474 1.00 0.00 H new ATOM 729 N ARG A 47 15.675 20.056 -14.993 1.00 0.00 N ATOM 730 CA ARG A 47 14.470 20.836 -15.218 1.00 0.00 C ATOM 731 C ARG A 47 14.196 20.971 -16.717 1.00 0.00 C ATOM 732 O ARG A 47 13.129 20.588 -17.194 1.00 0.00 O ATOM 733 CB ARG A 47 14.594 22.231 -14.601 1.00 0.00 C ATOM 734 CG ARG A 47 14.664 22.152 -13.076 1.00 0.00 C ATOM 735 CD ARG A 47 14.154 23.444 -12.435 1.00 0.00 C ATOM 736 NE ARG A 47 15.136 24.533 -12.639 1.00 0.00 N ATOM 737 CZ ARG A 47 15.070 25.428 -13.633 1.00 0.00 C ATOM 738 NH1 ARG A 47 14.067 25.370 -14.521 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.005 26.381 -13.740 1.00 0.00 N ATOM 0 H ARG A 47 16.405 20.540 -14.470 1.00 0.00 H new ATOM 0 HA ARG A 47 13.642 20.312 -14.740 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.487 22.724 -14.984 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.741 22.841 -14.898 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.070 21.309 -12.725 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.692 21.969 -12.765 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.195 23.722 -12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.987 23.289 -11.369 1.00 0.00 H new ATOM 0 HE ARG A 47 15.912 24.606 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.355 24.644 -14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.016 26.051 -15.278 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.768 26.425 -13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.954 27.062 -14.497 1.00 0.00 H new ATOM 753 N GLU A 48 15.178 21.517 -17.419 1.00 0.00 N ATOM 754 CA GLU A 48 15.056 21.707 -18.854 1.00 0.00 C ATOM 755 C GLU A 48 14.218 20.586 -19.469 1.00 0.00 C ATOM 756 O GLU A 48 13.335 20.842 -20.287 1.00 0.00 O ATOM 757 CB GLU A 48 16.434 21.787 -19.515 1.00 0.00 C ATOM 758 CG GLU A 48 16.307 22.023 -21.021 1.00 0.00 C ATOM 759 CD GLU A 48 17.602 22.598 -21.598 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.483 21.779 -21.941 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.682 23.842 -21.684 1.00 0.00 O ATOM 0 H GLU A 48 16.062 21.834 -17.020 1.00 0.00 H new ATOM 0 HA GLU A 48 14.547 22.654 -19.033 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.011 22.594 -19.064 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.983 20.863 -19.333 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.068 21.084 -21.521 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.482 22.708 -21.217 1.00 0.00 H new ATOM 768 N GLN A 49 14.522 19.366 -19.052 1.00 0.00 N ATOM 769 CA GLN A 49 13.806 18.204 -19.552 1.00 0.00 C ATOM 770 C GLN A 49 13.348 17.323 -18.388 1.00 0.00 C ATOM 771 O GLN A 49 13.572 16.113 -18.395 1.00 0.00 O ATOM 772 CB GLN A 49 14.669 17.410 -20.535 1.00 0.00 C ATOM 773 CG GLN A 49 15.953 16.917 -19.863 1.00 0.00 C ATOM 774 CD GLN A 49 17.075 16.741 -20.889 1.00 0.00 C ATOM 775 OE1 GLN A 49 18.027 17.502 -20.940 1.00 0.00 O ATOM 776 NE2 GLN A 49 16.909 15.699 -21.698 1.00 0.00 N ATOM 0 H GLN A 49 15.254 19.156 -18.374 1.00 0.00 H new ATOM 0 HA GLN A 49 12.923 18.548 -20.091 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.104 16.559 -20.916 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.920 18.035 -21.392 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.263 17.628 -19.097 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.764 15.969 -19.359 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.087 15.103 -21.600 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.603 15.496 -22.417 1.00 0.00 H new ATOM 785 N ALA A 50 12.714 17.962 -17.416 1.00 0.00 N ATOM 786 CA ALA A 50 12.222 17.251 -16.249 1.00 0.00 C ATOM 787 C ALA A 50 11.032 16.379 -16.653 1.00 0.00 C ATOM 788 O ALA A 50 11.208 15.229 -17.054 1.00 0.00 O ATOM 789 CB ALA A 50 11.862 18.257 -15.153 1.00 0.00 C ATOM 0 H ALA A 50 12.530 18.965 -17.413 1.00 0.00 H new ATOM 0 HA ALA A 50 12.992 16.592 -15.848 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.493 17.724 -14.277 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.748 18.832 -14.882 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.089 18.933 -15.519 1.00 0.00 H new ATOM 795 N GLY A 51 9.847 16.957 -16.532 1.00 0.00 N ATOM 796 CA GLY A 51 8.627 16.246 -16.879 1.00 0.00 C ATOM 797 C GLY A 51 8.822 15.412 -18.147 1.00 0.00 C ATOM 798 O GLY A 51 8.245 14.333 -18.278 1.00 0.00 O ATOM 0 H GLY A 51 9.704 17.910 -16.198 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.332 15.597 -16.054 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.816 16.959 -17.029 1.00 0.00 H new ATOM 802 N GLY A 52 9.636 15.943 -19.048 1.00 0.00 N ATOM 803 CA GLY A 52 9.913 15.260 -20.300 1.00 0.00 C ATOM 804 C GLY A 52 10.532 13.884 -20.049 1.00 0.00 C ATOM 805 O GLY A 52 10.169 13.202 -19.091 1.00 0.00 O ATOM 0 H GLY A 52 10.112 16.838 -18.936 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.990 15.149 -20.870 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.591 15.863 -20.905 1.00 0.00 H new ATOM 809 N ASP A 53 11.455 13.517 -20.925 1.00 0.00 N ATOM 810 CA ASP A 53 12.127 12.233 -20.811 1.00 0.00 C ATOM 811 C ASP A 53 13.641 12.453 -20.825 1.00 0.00 C ATOM 812 O ASP A 53 14.200 12.888 -21.831 1.00 0.00 O ATOM 813 CB ASP A 53 11.771 11.318 -21.985 1.00 0.00 C ATOM 814 CG ASP A 53 12.567 10.014 -22.052 1.00 0.00 C ATOM 815 OD1 ASP A 53 13.813 10.110 -22.076 1.00 0.00 O ATOM 816 OD2 ASP A 53 11.911 8.950 -22.077 1.00 0.00 O ATOM 0 H ASP A 53 11.754 14.086 -21.717 1.00 0.00 H new ATOM 0 HA ASP A 53 11.806 11.766 -19.880 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.710 11.076 -21.929 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.924 11.868 -22.914 1.00 0.00 H new ATOM 821 N ALA A 54 14.262 12.141 -19.697 1.00 0.00 N ATOM 822 CA ALA A 54 15.701 12.299 -19.567 1.00 0.00 C ATOM 823 C ALA A 54 16.344 10.926 -19.359 1.00 0.00 C ATOM 824 O ALA A 54 17.424 10.823 -18.780 1.00 0.00 O ATOM 825 CB ALA A 54 16.008 13.266 -18.421 1.00 0.00 C ATOM 0 H ALA A 54 13.795 11.780 -18.865 1.00 0.00 H new ATOM 0 HA ALA A 54 16.123 12.727 -20.476 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.087 13.384 -18.324 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.554 14.235 -18.631 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.601 12.869 -17.491 1.00 0.00 H new ATOM 831 N THR A 55 15.651 9.905 -19.842 1.00 0.00 N ATOM 832 CA THR A 55 16.140 8.542 -19.717 1.00 0.00 C ATOM 833 C THR A 55 17.518 8.408 -20.371 1.00 0.00 C ATOM 834 O THR A 55 18.500 8.099 -19.699 1.00 0.00 O ATOM 835 CB THR A 55 15.090 7.606 -20.315 1.00 0.00 C ATOM 836 OG1 THR A 55 14.092 7.510 -19.301 1.00 0.00 O ATOM 837 CG2 THR A 55 15.603 6.172 -20.470 1.00 0.00 C ATOM 0 H THR A 55 14.755 9.994 -20.321 1.00 0.00 H new ATOM 0 HA THR A 55 16.283 8.267 -18.672 1.00 0.00 H new ATOM 0 HB THR A 55 14.777 7.986 -21.287 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.822 8.410 -19.022 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.818 5.549 -20.899 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.472 6.166 -21.128 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.885 5.779 -19.493 1.00 0.00 H new ATOM 845 N GLU A 56 17.543 8.646 -21.674 1.00 0.00 N ATOM 846 CA GLU A 56 18.783 8.556 -22.426 1.00 0.00 C ATOM 847 C GLU A 56 19.788 9.593 -21.921 1.00 0.00 C ATOM 848 O GLU A 56 20.982 9.311 -21.824 1.00 0.00 O ATOM 849 CB GLU A 56 18.529 8.724 -23.925 1.00 0.00 C ATOM 850 CG GLU A 56 17.645 7.597 -24.462 1.00 0.00 C ATOM 851 CD GLU A 56 18.439 6.666 -25.380 1.00 0.00 C ATOM 852 OE1 GLU A 56 18.847 7.146 -26.459 1.00 0.00 O ATOM 853 OE2 GLU A 56 18.621 5.495 -24.981 1.00 0.00 O ATOM 0 H GLU A 56 16.725 8.901 -22.228 1.00 0.00 H new ATOM 0 HA GLU A 56 19.206 7.564 -22.271 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.051 9.686 -24.111 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.479 8.732 -24.460 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.231 7.027 -23.630 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.802 8.020 -25.009 1.00 0.00 H new ATOM 860 N ASN A 57 19.269 10.772 -21.612 1.00 0.00 N ATOM 861 CA ASN A 57 20.105 11.853 -21.119 1.00 0.00 C ATOM 862 C ASN A 57 20.702 11.455 -19.768 1.00 0.00 C ATOM 863 O ASN A 57 21.730 11.990 -19.358 1.00 0.00 O ATOM 864 CB ASN A 57 19.290 13.132 -20.917 1.00 0.00 C ATOM 865 CG ASN A 57 19.428 14.066 -22.122 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.606 14.085 -23.023 1.00 0.00 O ATOM 867 ND2 ASN A 57 20.511 14.837 -22.087 1.00 0.00 N ATOM 0 H ASN A 57 18.279 11.003 -21.694 1.00 0.00 H new ATOM 0 HA ASN A 57 20.887 12.036 -21.856 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.240 12.879 -20.767 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.627 13.644 -20.015 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.693 15.495 -22.845 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.159 14.771 -21.302 1.00 0.00 H new ATOM 874 N PHE A 58 20.031 10.519 -19.114 1.00 0.00 N ATOM 875 CA PHE A 58 20.482 10.042 -17.818 1.00 0.00 C ATOM 876 C PHE A 58 21.458 8.874 -17.972 1.00 0.00 C ATOM 877 O PHE A 58 22.449 8.788 -17.249 1.00 0.00 O ATOM 878 CB PHE A 58 19.243 9.559 -17.062 1.00 0.00 C ATOM 879 CG PHE A 58 19.531 8.477 -16.019 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.752 7.194 -16.413 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.567 8.798 -14.698 1.00 0.00 C ATOM 882 CE1 PHE A 58 20.020 6.191 -15.445 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.835 7.794 -13.730 1.00 0.00 C ATOM 884 CZ PHE A 58 20.056 6.512 -14.125 1.00 0.00 C ATOM 0 H PHE A 58 19.178 10.078 -19.457 1.00 0.00 H new ATOM 0 HA PHE A 58 20.996 10.843 -17.286 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.777 10.411 -16.567 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.520 9.173 -17.780 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.724 6.939 -17.462 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.392 9.817 -14.385 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.195 5.172 -15.758 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.863 8.049 -12.681 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.260 5.748 -13.389 1.00 0.00 H new ATOM 894 N GLU A 59 21.144 8.003 -18.920 1.00 0.00 N ATOM 895 CA GLU A 59 21.981 6.843 -19.178 1.00 0.00 C ATOM 896 C GLU A 59 23.211 7.248 -19.993 1.00 0.00 C ATOM 897 O GLU A 59 24.298 6.708 -19.791 1.00 0.00 O ATOM 898 CB GLU A 59 21.189 5.745 -19.890 1.00 0.00 C ATOM 899 CG GLU A 59 20.169 5.104 -18.947 1.00 0.00 C ATOM 900 CD GLU A 59 19.905 3.647 -19.331 1.00 0.00 C ATOM 901 OE1 GLU A 59 19.778 3.395 -20.550 1.00 0.00 O ATOM 902 OE2 GLU A 59 19.836 2.818 -18.399 1.00 0.00 O ATOM 0 H GLU A 59 20.322 8.077 -19.519 1.00 0.00 H new ATOM 0 HA GLU A 59 22.318 6.441 -18.222 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.676 6.165 -20.755 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.873 4.983 -20.264 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.536 5.153 -17.922 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.236 5.667 -18.979 1.00 0.00 H new ATOM 909 N ASP A 60 22.999 8.194 -20.895 1.00 0.00 N ATOM 910 CA ASP A 60 24.078 8.678 -21.740 1.00 0.00 C ATOM 911 C ASP A 60 25.225 9.177 -20.859 1.00 0.00 C ATOM 912 O ASP A 60 26.389 8.879 -21.123 1.00 0.00 O ATOM 913 CB ASP A 60 23.612 9.843 -22.615 1.00 0.00 C ATOM 914 CG ASP A 60 24.640 10.338 -23.635 1.00 0.00 C ATOM 915 OD1 ASP A 60 24.733 9.694 -24.704 1.00 0.00 O ATOM 916 OD2 ASP A 60 25.309 11.346 -23.323 1.00 0.00 O ATOM 0 H ASP A 60 22.096 8.639 -21.060 1.00 0.00 H new ATOM 0 HA ASP A 60 24.402 7.856 -22.378 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.711 9.540 -23.148 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.335 10.675 -21.968 1.00 0.00 H new ATOM 921 N VAL A 61 24.857 9.928 -19.832 1.00 0.00 N ATOM 922 CA VAL A 61 25.840 10.471 -18.912 1.00 0.00 C ATOM 923 C VAL A 61 26.448 9.332 -18.091 1.00 0.00 C ATOM 924 O VAL A 61 27.507 9.494 -17.486 1.00 0.00 O ATOM 925 CB VAL A 61 25.203 11.558 -18.045 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.450 12.574 -18.906 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.281 10.947 -16.988 1.00 0.00 C ATOM 0 H VAL A 61 23.891 10.173 -19.617 1.00 0.00 H new ATOM 0 HA VAL A 61 26.653 10.947 -19.460 1.00 0.00 H new ATOM 0 HB VAL A 61 26.004 12.085 -17.527 1.00 0.00 H new ATOM 0 HG11 VAL A 61 24.006 13.336 -18.265 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.143 13.045 -19.603 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.663 12.066 -19.464 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.841 11.742 -16.385 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.488 10.383 -17.479 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.856 10.280 -16.345 1.00 0.00 H new ATOM 937 N GLY A 62 25.751 8.205 -18.095 1.00 0.00 N ATOM 938 CA GLY A 62 26.210 7.039 -17.359 1.00 0.00 C ATOM 939 C GLY A 62 26.294 7.336 -15.860 1.00 0.00 C ATOM 940 O GLY A 62 27.363 7.661 -15.347 1.00 0.00 O ATOM 0 H GLY A 62 24.872 8.075 -18.596 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.530 6.205 -17.531 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.189 6.733 -17.728 1.00 0.00 H new ATOM 944 N HIS A 63 25.152 7.214 -15.200 1.00 0.00 N ATOM 945 CA HIS A 63 25.082 7.465 -13.771 1.00 0.00 C ATOM 946 C HIS A 63 25.791 6.338 -13.017 1.00 0.00 C ATOM 947 O HIS A 63 25.670 5.169 -13.382 1.00 0.00 O ATOM 948 CB HIS A 63 23.633 7.659 -13.322 1.00 0.00 C ATOM 949 CG HIS A 63 23.084 9.037 -13.599 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.786 9.483 -14.876 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.780 10.064 -12.753 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.327 10.723 -14.789 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.324 11.080 -13.473 1.00 0.00 N ATOM 0 H HIS A 63 24.267 6.944 -15.629 1.00 0.00 H new ATOM 0 HA HIS A 63 25.600 8.395 -13.536 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.006 6.922 -13.824 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.565 7.460 -12.252 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.900 8.948 -15.737 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.892 10.051 -11.679 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.011 11.342 -15.615 1.00 0.00 H new ATOM 961 N SER A 64 26.515 6.727 -11.978 1.00 0.00 N ATOM 962 CA SER A 64 27.243 5.764 -11.169 1.00 0.00 C ATOM 963 C SER A 64 26.326 5.191 -10.087 1.00 0.00 C ATOM 964 O SER A 64 25.219 5.685 -9.880 1.00 0.00 O ATOM 965 CB SER A 64 28.480 6.401 -10.534 1.00 0.00 C ATOM 966 OG SER A 64 29.502 6.655 -11.494 1.00 0.00 O ATOM 0 H SER A 64 26.613 7.697 -11.677 1.00 0.00 H new ATOM 0 HA SER A 64 27.578 4.955 -11.819 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.198 7.335 -10.049 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.868 5.743 -9.757 1.00 0.00 H new ATOM 0 HG SER A 64 30.274 7.063 -11.050 1.00 0.00 H new ATOM 972 N THR A 65 26.820 4.155 -9.425 1.00 0.00 N ATOM 973 CA THR A 65 26.059 3.510 -8.368 1.00 0.00 C ATOM 974 C THR A 65 25.494 4.554 -7.403 1.00 0.00 C ATOM 975 O THR A 65 24.313 4.515 -7.065 1.00 0.00 O ATOM 976 CB THR A 65 26.970 2.484 -7.689 1.00 0.00 C ATOM 977 OG1 THR A 65 26.777 1.293 -8.446 1.00 0.00 O ATOM 978 CG2 THR A 65 26.489 2.115 -6.284 1.00 0.00 C ATOM 0 H THR A 65 27.738 3.746 -9.600 1.00 0.00 H new ATOM 0 HA THR A 65 25.193 2.983 -8.769 1.00 0.00 H new ATOM 0 HB THR A 65 27.984 2.879 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.332 0.576 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.170 1.385 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.467 3.009 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.488 1.688 -6.343 1.00 0.00 H new ATOM 986 N ASP A 66 26.365 5.462 -6.988 1.00 0.00 N ATOM 987 CA ASP A 66 25.967 6.515 -6.069 1.00 0.00 C ATOM 988 C ASP A 66 24.576 7.023 -6.454 1.00 0.00 C ATOM 989 O ASP A 66 23.760 7.324 -5.586 1.00 0.00 O ATOM 990 CB ASP A 66 26.936 7.697 -6.132 1.00 0.00 C ATOM 991 CG ASP A 66 28.079 7.651 -5.115 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.853 6.671 -5.175 1.00 0.00 O ATOM 993 OD2 ASP A 66 28.152 8.597 -4.301 1.00 0.00 O ATOM 0 H ASP A 66 27.345 5.490 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 66 25.969 6.101 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.363 7.745 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.373 8.618 -5.981 1.00 0.00 H new ATOM 998 N ALA A 67 24.350 7.103 -7.757 1.00 0.00 N ATOM 999 CA ALA A 67 23.072 7.570 -8.268 1.00 0.00 C ATOM 1000 C ALA A 67 22.020 6.476 -8.075 1.00 0.00 C ATOM 1001 O ALA A 67 20.914 6.748 -7.611 1.00 0.00 O ATOM 1002 CB ALA A 67 23.227 7.979 -9.734 1.00 0.00 C ATOM 0 H ALA A 67 25.030 6.852 -8.474 1.00 0.00 H new ATOM 0 HA ALA A 67 22.737 8.450 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.269 8.329 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.963 8.779 -9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.560 7.121 -10.318 1.00 0.00 H new ATOM 1008 N ARG A 68 22.403 5.261 -8.441 1.00 0.00 N ATOM 1009 CA ARG A 68 21.506 4.124 -8.314 1.00 0.00 C ATOM 1010 C ARG A 68 20.835 4.128 -6.939 1.00 0.00 C ATOM 1011 O ARG A 68 19.664 3.775 -6.816 1.00 0.00 O ATOM 1012 CB ARG A 68 22.258 2.806 -8.503 1.00 0.00 C ATOM 1013 CG ARG A 68 22.392 2.459 -9.988 1.00 0.00 C ATOM 1014 CD ARG A 68 21.954 1.018 -10.256 1.00 0.00 C ATOM 1015 NE ARG A 68 22.356 0.611 -11.621 1.00 0.00 N ATOM 1016 CZ ARG A 68 21.780 1.069 -12.741 1.00 0.00 C ATOM 1017 NH1 ARG A 68 20.773 1.949 -12.664 1.00 0.00 N ATOM 1018 NH2 ARG A 68 22.211 0.644 -13.936 1.00 0.00 N ATOM 0 H ARG A 68 23.321 5.039 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 68 20.748 4.211 -9.092 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.248 2.880 -8.052 1.00 0.00 H new ATOM 0 HB3 ARG A 68 21.731 2.005 -7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.786 3.143 -10.581 1.00 0.00 H new ATOM 0 HG3 ARG A 68 23.426 2.593 -10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.404 0.350 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.873 0.931 -10.146 1.00 0.00 H new ATOM 0 HE ARG A 68 23.119 -0.060 -11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.445 2.270 -11.753 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.334 2.298 -13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.977 -0.027 -13.993 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.773 0.992 -14.789 1.00 0.00 H new ATOM 1032 N GLU A 69 21.607 4.531 -5.941 1.00 0.00 N ATOM 1033 CA GLU A 69 21.102 4.586 -4.580 1.00 0.00 C ATOM 1034 C GLU A 69 20.109 5.740 -4.428 1.00 0.00 C ATOM 1035 O GLU A 69 18.977 5.535 -3.992 1.00 0.00 O ATOM 1036 CB GLU A 69 22.249 4.713 -3.574 1.00 0.00 C ATOM 1037 CG GLU A 69 22.132 3.658 -2.473 1.00 0.00 C ATOM 1038 CD GLU A 69 23.462 3.483 -1.737 1.00 0.00 C ATOM 1039 OE1 GLU A 69 23.696 4.268 -0.793 1.00 0.00 O ATOM 1040 OE2 GLU A 69 24.216 2.569 -2.136 1.00 0.00 O ATOM 0 H GLU A 69 22.579 4.823 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 69 20.579 3.653 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.203 4.602 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.240 5.709 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.356 3.951 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.825 2.707 -2.907 1.00 0.00 H new ATOM 1047 N LEU A 70 20.568 6.927 -4.795 1.00 0.00 N ATOM 1048 CA LEU A 70 19.735 8.113 -4.706 1.00 0.00 C ATOM 1049 C LEU A 70 18.463 7.902 -5.530 1.00 0.00 C ATOM 1050 O LEU A 70 17.360 7.901 -4.986 1.00 0.00 O ATOM 1051 CB LEU A 70 20.528 9.357 -5.107 1.00 0.00 C ATOM 1052 CG LEU A 70 21.234 10.100 -3.971 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.626 9.138 -2.848 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.434 10.891 -4.494 1.00 0.00 C ATOM 0 H LEU A 70 21.508 7.093 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 70 19.423 8.282 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.277 9.064 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.849 10.052 -5.602 1.00 0.00 H new ATOM 0 HG LEU A 70 20.535 10.821 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.126 9.691 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.731 8.660 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.300 8.377 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.917 11.409 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.145 10.208 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.096 11.620 -5.231 1.00 0.00 H new ATOM 1066 N SER A 71 18.661 7.725 -6.828 1.00 0.00 N ATOM 1067 CA SER A 71 17.544 7.513 -7.733 1.00 0.00 C ATOM 1068 C SER A 71 16.499 6.614 -7.071 1.00 0.00 C ATOM 1069 O SER A 71 15.330 6.986 -6.966 1.00 0.00 O ATOM 1070 CB SER A 71 18.014 6.899 -9.053 1.00 0.00 C ATOM 1071 OG SER A 71 19.018 5.908 -8.853 1.00 0.00 O ATOM 0 H SER A 71 19.578 7.724 -7.275 1.00 0.00 H new ATOM 0 HA SER A 71 17.094 8.481 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.163 6.454 -9.569 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.404 7.685 -9.700 1.00 0.00 H new ATOM 0 HG SER A 71 19.726 6.271 -8.281 1.00 0.00 H new ATOM 1077 N LYS A 72 16.954 5.447 -6.641 1.00 0.00 N ATOM 1078 CA LYS A 72 16.073 4.491 -5.992 1.00 0.00 C ATOM 1079 C LYS A 72 15.465 5.132 -4.743 1.00 0.00 C ATOM 1080 O LYS A 72 14.305 4.884 -4.416 1.00 0.00 O ATOM 1081 CB LYS A 72 16.815 3.183 -5.712 1.00 0.00 C ATOM 1082 CG LYS A 72 16.588 2.173 -6.839 1.00 0.00 C ATOM 1083 CD LYS A 72 15.722 1.005 -6.364 1.00 0.00 C ATOM 1084 CE LYS A 72 16.438 -0.330 -6.574 1.00 0.00 C ATOM 1085 NZ LYS A 72 15.981 -1.325 -5.576 1.00 0.00 N ATOM 0 H LYS A 72 17.923 5.141 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 72 15.246 4.227 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.882 3.381 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.473 2.762 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.107 2.667 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.548 1.798 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.483 1.131 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.777 1.004 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.243 -0.700 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.516 -0.189 -6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.476 -2.226 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.189 -0.977 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.956 -1.472 -5.676 1.00 0.00 H new ATOM 1099 N THR A 73 16.274 5.944 -4.079 1.00 0.00 N ATOM 1100 CA THR A 73 15.829 6.622 -2.873 1.00 0.00 C ATOM 1101 C THR A 73 14.850 7.744 -3.223 1.00 0.00 C ATOM 1102 O THR A 73 13.967 8.072 -2.432 1.00 0.00 O ATOM 1103 CB THR A 73 17.068 7.110 -2.121 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.220 6.173 -1.058 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.836 8.445 -1.411 1.00 0.00 C ATOM 0 H THR A 73 17.235 6.148 -4.353 1.00 0.00 H new ATOM 0 HA THR A 73 15.279 5.946 -2.219 1.00 0.00 H new ATOM 0 HB THR A 73 17.899 7.211 -2.819 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.003 6.413 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.747 8.745 -0.893 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.568 9.206 -2.145 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.027 8.337 -0.689 1.00 0.00 H new ATOM 1113 N TYR A 74 15.039 8.303 -4.409 1.00 0.00 N ATOM 1114 CA TYR A 74 14.184 9.382 -4.873 1.00 0.00 C ATOM 1115 C TYR A 74 13.123 8.861 -5.845 1.00 0.00 C ATOM 1116 O TYR A 74 12.787 9.529 -6.821 1.00 0.00 O ATOM 1117 CB TYR A 74 15.100 10.358 -5.615 1.00 0.00 C ATOM 1118 CG TYR A 74 15.856 11.320 -4.698 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.032 10.919 -4.095 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.364 12.590 -4.471 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.745 11.825 -3.231 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.076 13.495 -3.608 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.231 13.068 -3.031 1.00 0.00 C ATOM 1124 OH TYR A 74 17.903 13.924 -2.214 1.00 0.00 O ATOM 0 H TYR A 74 15.772 8.029 -5.063 1.00 0.00 H new ATOM 0 HA TYR A 74 13.667 9.849 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.821 9.789 -6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.503 10.937 -6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.417 9.926 -4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.444 12.904 -4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.666 11.524 -2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.702 14.491 -3.423 1.00 0.00 H new ATOM 0 HH TYR A 74 17.421 14.776 -2.165 1.00 0.00 H new ATOM 1134 N ILE A 75 12.622 7.671 -5.542 1.00 0.00 N ATOM 1135 CA ILE A 75 11.606 7.053 -6.375 1.00 0.00 C ATOM 1136 C ILE A 75 10.262 7.092 -5.646 1.00 0.00 C ATOM 1137 O ILE A 75 10.200 6.875 -4.436 1.00 0.00 O ATOM 1138 CB ILE A 75 12.037 5.646 -6.792 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.191 5.136 -7.961 1.00 0.00 C ATOM 1140 CG2 ILE A 75 12.006 4.687 -5.600 1.00 0.00 C ATOM 1141 CD1 ILE A 75 11.255 6.103 -9.146 1.00 0.00 C ATOM 0 H ILE A 75 12.902 7.120 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 75 11.483 7.612 -7.303 1.00 0.00 H new ATOM 0 HB ILE A 75 13.069 5.694 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.546 4.153 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.156 5.015 -7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.317 3.694 -5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.685 5.046 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.994 4.638 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.646 5.718 -9.963 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.877 7.079 -8.840 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.288 6.202 -9.479 1.00 0.00 H new ATOM 1153 N ILE A 76 9.217 7.372 -6.412 1.00 0.00 N ATOM 1154 CA ILE A 76 7.877 7.443 -5.853 1.00 0.00 C ATOM 1155 C ILE A 76 6.959 6.486 -6.617 1.00 0.00 C ATOM 1156 O ILE A 76 6.046 5.902 -6.038 1.00 0.00 O ATOM 1157 CB ILE A 76 7.380 8.890 -5.836 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.818 9.293 -7.202 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.481 9.843 -5.366 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.924 9.831 -8.113 1.00 0.00 C ATOM 0 H ILE A 76 9.271 7.552 -7.414 1.00 0.00 H new ATOM 0 HA ILE A 76 7.880 7.119 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 76 6.564 8.962 -5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.342 8.432 -7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.047 10.053 -7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.101 10.865 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.793 9.569 -4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.334 9.775 -6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.498 10.110 -9.077 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.382 10.706 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.681 9.061 -8.260 1.00 0.00 H new ATOM 1172 N GLY A 77 7.235 6.356 -7.907 1.00 0.00 N ATOM 1173 CA GLY A 77 6.445 5.481 -8.757 1.00 0.00 C ATOM 1174 C GLY A 77 6.804 5.678 -10.231 1.00 0.00 C ATOM 1175 O GLY A 77 7.805 6.318 -10.550 1.00 0.00 O ATOM 0 H GLY A 77 7.995 6.842 -8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.615 4.442 -8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.384 5.683 -8.607 1.00 0.00 H new ATOM 1179 N GLU A 78 5.967 5.116 -11.091 1.00 0.00 N ATOM 1180 CA GLU A 78 6.184 5.221 -12.524 1.00 0.00 C ATOM 1181 C GLU A 78 5.028 5.979 -13.180 1.00 0.00 C ATOM 1182 O GLU A 78 4.009 6.239 -12.542 1.00 0.00 O ATOM 1183 CB GLU A 78 6.362 3.839 -13.155 1.00 0.00 C ATOM 1184 CG GLU A 78 5.026 3.100 -13.242 1.00 0.00 C ATOM 1185 CD GLU A 78 5.199 1.732 -13.906 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.640 0.806 -13.192 1.00 0.00 O ATOM 1187 OE2 GLU A 78 4.885 1.643 -15.113 1.00 0.00 O ATOM 0 H GLU A 78 5.137 4.587 -10.823 1.00 0.00 H new ATOM 0 HA GLU A 78 7.104 5.781 -12.693 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.790 3.943 -14.152 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.067 3.254 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.611 2.973 -12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.312 3.697 -13.810 1.00 0.00 H new ATOM 1194 N LEU A 79 5.224 6.311 -14.448 1.00 0.00 N ATOM 1195 CA LEU A 79 4.211 7.032 -15.198 1.00 0.00 C ATOM 1196 C LEU A 79 3.458 6.054 -16.103 1.00 0.00 C ATOM 1197 O LEU A 79 4.026 5.065 -16.561 1.00 0.00 O ATOM 1198 CB LEU A 79 4.838 8.208 -15.952 1.00 0.00 C ATOM 1199 CG LEU A 79 5.501 7.871 -17.288 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.546 6.766 -17.119 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.454 7.513 -18.344 1.00 0.00 C ATOM 0 H LEU A 79 6.070 6.093 -14.974 1.00 0.00 H new ATOM 0 HA LEU A 79 3.477 7.470 -14.521 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.063 8.953 -16.131 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.583 8.672 -15.306 1.00 0.00 H new ATOM 0 HG LEU A 79 6.026 8.758 -17.642 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.002 6.546 -18.084 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.315 7.096 -16.421 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.066 5.868 -16.731 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.952 7.278 -19.285 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.881 6.648 -18.010 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.782 8.358 -18.491 1.00 0.00 H new ATOM 1213 N HIS A 80 2.191 6.365 -16.331 1.00 0.00 N ATOM 1214 CA HIS A 80 1.354 5.526 -17.172 1.00 0.00 C ATOM 1215 C HIS A 80 2.130 5.121 -18.427 1.00 0.00 C ATOM 1216 O HIS A 80 2.516 5.973 -19.225 1.00 0.00 O ATOM 1217 CB HIS A 80 0.032 6.224 -17.493 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.183 5.341 -17.338 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.365 5.565 -18.024 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.386 4.232 -16.572 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.234 4.627 -17.676 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.625 3.802 -16.777 1.00 0.00 N ATOM 0 H HIS A 80 1.723 7.187 -15.948 1.00 0.00 H new ATOM 0 HA HIS A 80 1.095 4.613 -16.636 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.077 7.091 -16.842 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.069 6.597 -18.517 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.662 3.780 -15.911 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.246 4.533 -18.040 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.052 2.988 -16.335 1.00 0.00 H new ATOM 1230 N PRO A 81 2.343 3.784 -18.564 1.00 0.00 N ATOM 1231 CA PRO A 81 3.066 3.256 -19.708 1.00 0.00 C ATOM 1232 C PRO A 81 2.197 3.282 -20.967 1.00 0.00 C ATOM 1233 O PRO A 81 2.680 3.012 -22.065 1.00 0.00 O ATOM 1234 CB PRO A 81 3.476 1.850 -19.300 1.00 0.00 C ATOM 1235 CG PRO A 81 2.574 1.476 -18.135 1.00 0.00 C ATOM 1236 CD PRO A 81 1.902 2.745 -17.639 1.00 0.00 C ATOM 0 HA PRO A 81 3.941 3.854 -19.964 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.355 1.152 -20.128 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.526 1.818 -19.008 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.827 0.747 -18.449 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.154 1.014 -17.336 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.817 2.646 -17.643 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.197 2.975 -16.615 1.00 0.00 H new ATOM 1244 N ASP A 82 0.930 3.613 -20.766 1.00 0.00 N ATOM 1245 CA ASP A 82 -0.011 3.678 -21.871 1.00 0.00 C ATOM 1246 C ASP A 82 0.167 5.007 -22.608 1.00 0.00 C ATOM 1247 O ASP A 82 0.095 5.055 -23.835 1.00 0.00 O ATOM 1248 CB ASP A 82 -1.455 3.605 -21.369 1.00 0.00 C ATOM 1249 CG ASP A 82 -2.444 2.954 -22.338 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -1.986 2.547 -23.429 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -3.635 2.879 -21.969 1.00 0.00 O ATOM 0 H ASP A 82 0.533 3.839 -19.854 1.00 0.00 H new ATOM 0 HA ASP A 82 0.184 2.833 -22.532 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.470 3.050 -20.431 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.798 4.615 -21.147 1.00 0.00 H new ATOM 1256 N ASP A 83 0.394 6.053 -21.829 1.00 0.00 N ATOM 1257 CA ASP A 83 0.584 7.379 -22.392 1.00 0.00 C ATOM 1258 C ASP A 83 2.079 7.698 -22.444 1.00 0.00 C ATOM 1259 O ASP A 83 2.472 8.862 -22.377 1.00 0.00 O ATOM 1260 CB ASP A 83 -0.098 8.446 -21.532 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.609 8.570 -21.733 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -2.057 8.278 -22.863 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -2.283 8.956 -20.753 1.00 0.00 O ATOM 0 H ASP A 83 0.451 6.010 -20.812 1.00 0.00 H new ATOM 0 HA ASP A 83 0.146 7.387 -23.390 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.097 8.224 -20.483 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.362 9.411 -21.745 1.00 0.00 H new ATOM 1268 N ARG A 84 2.873 6.644 -22.564 1.00 0.00 N ATOM 1269 CA ARG A 84 4.316 6.797 -22.625 1.00 0.00 C ATOM 1270 C ARG A 84 4.728 7.406 -23.967 1.00 0.00 C ATOM 1271 O ARG A 84 5.908 7.665 -24.199 1.00 0.00 O ATOM 1272 CB ARG A 84 5.021 5.451 -22.445 1.00 0.00 C ATOM 1273 CG ARG A 84 4.848 4.572 -23.684 1.00 0.00 C ATOM 1274 CD ARG A 84 6.196 4.026 -24.162 1.00 0.00 C ATOM 1275 NE ARG A 84 6.168 3.821 -25.627 1.00 0.00 N ATOM 1276 CZ ARG A 84 5.587 2.773 -26.228 1.00 0.00 C ATOM 1277 NH1 ARG A 84 4.983 1.829 -25.494 1.00 0.00 N ATOM 1278 NH2 ARG A 84 5.612 2.670 -27.564 1.00 0.00 N ATOM 0 H ARG A 84 2.544 5.680 -22.621 1.00 0.00 H new ATOM 0 HA ARG A 84 4.614 7.461 -21.814 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.082 5.615 -22.256 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.617 4.939 -21.572 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.177 3.744 -23.456 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.382 5.150 -24.482 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.993 4.721 -23.899 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.415 3.084 -23.659 1.00 0.00 H new ATOM 0 HE ARG A 84 6.619 4.521 -26.216 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.965 1.907 -24.477 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.541 1.032 -25.952 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.073 3.389 -28.122 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.170 1.873 -28.022 1.00 0.00 H new ATOM 1292 N SER A 85 3.733 7.616 -24.816 1.00 0.00 N ATOM 1293 CA SER A 85 3.976 8.189 -26.129 1.00 0.00 C ATOM 1294 C SER A 85 3.802 9.709 -26.077 1.00 0.00 C ATOM 1295 O SER A 85 3.137 10.289 -26.934 1.00 0.00 O ATOM 1296 CB SER A 85 3.043 7.582 -27.177 1.00 0.00 C ATOM 1297 OG SER A 85 3.559 6.368 -27.713 1.00 0.00 O ATOM 0 H SER A 85 2.756 7.399 -24.620 1.00 0.00 H new ATOM 0 HA SER A 85 5.001 7.957 -26.419 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.068 7.394 -26.728 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.890 8.298 -27.984 1.00 0.00 H new ATOM 0 HG SER A 85 2.933 6.011 -28.377 1.00 0.00 H new ATOM 1303 N LYS A 86 4.409 10.308 -25.064 1.00 0.00 N ATOM 1304 CA LYS A 86 4.328 11.749 -24.890 1.00 0.00 C ATOM 1305 C LYS A 86 5.494 12.412 -25.626 1.00 0.00 C ATOM 1306 O LYS A 86 5.892 13.526 -25.287 1.00 0.00 O ATOM 1307 CB LYS A 86 4.257 12.105 -23.403 1.00 0.00 C ATOM 1308 CG LYS A 86 5.562 11.747 -22.690 1.00 0.00 C ATOM 1309 CD LYS A 86 6.488 12.962 -22.599 1.00 0.00 C ATOM 1310 CE LYS A 86 7.804 12.703 -23.334 1.00 0.00 C ATOM 1311 NZ LYS A 86 8.618 13.939 -23.390 1.00 0.00 N ATOM 0 H LYS A 86 4.959 9.823 -24.355 1.00 0.00 H new ATOM 0 HA LYS A 86 3.410 12.136 -25.331 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.057 13.171 -23.290 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.427 11.574 -22.938 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.344 11.376 -21.689 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.064 10.942 -23.226 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.993 13.834 -23.027 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.690 13.192 -21.553 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.362 11.916 -22.827 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.600 12.349 -24.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.111 13.989 -24.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.999 14.768 -23.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.317 13.929 -22.620 1.00 0.00 H new ATOM 1325 N ILE A 87 6.006 11.702 -26.619 1.00 0.00 N ATOM 1326 CA ILE A 87 7.117 12.209 -27.406 1.00 0.00 C ATOM 1327 C ILE A 87 6.594 13.218 -28.432 1.00 0.00 C ATOM 1328 O ILE A 87 7.331 14.095 -28.878 1.00 0.00 O ATOM 1329 CB ILE A 87 7.906 11.054 -28.028 1.00 0.00 C ATOM 1330 CG1 ILE A 87 9.381 11.423 -28.193 1.00 0.00 C ATOM 1331 CG2 ILE A 87 7.274 10.608 -29.348 1.00 0.00 C ATOM 1332 CD1 ILE A 87 10.063 11.580 -26.832 1.00 0.00 C ATOM 0 H ILE A 87 5.672 10.779 -26.897 1.00 0.00 H new ATOM 0 HA ILE A 87 7.823 12.740 -26.767 1.00 0.00 H new ATOM 0 HB ILE A 87 7.863 10.204 -27.347 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.890 10.652 -28.772 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.466 12.353 -28.756 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.853 9.787 -29.770 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.251 10.276 -29.168 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.266 11.443 -30.048 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.111 11.842 -26.978 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.567 12.368 -26.265 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.997 10.641 -26.282 1.00 0.00 H new ATOM 1344 N ALA A 88 5.324 13.058 -28.775 1.00 0.00 N ATOM 1345 CA ALA A 88 4.693 13.943 -29.738 1.00 0.00 C ATOM 1346 C ALA A 88 4.357 15.273 -29.060 1.00 0.00 C ATOM 1347 O ALA A 88 4.460 15.395 -27.840 1.00 0.00 O ATOM 1348 CB ALA A 88 3.456 13.259 -30.325 1.00 0.00 C ATOM 0 H ALA A 88 4.716 12.329 -28.403 1.00 0.00 H new ATOM 0 HA ALA A 88 5.371 14.157 -30.564 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.982 13.923 -31.048 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.752 12.335 -30.821 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.752 13.032 -29.525 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.566 12.775 -12.622 1.00 0.00 FE HETATM 1356 CHA HEM A 95 25.920 12.934 -12.785 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.779 11.443 -9.505 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.195 12.645 -12.467 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.337 14.133 -15.745 1.00 0.00 C HETATM 1360 NA HEM A 95 24.075 12.282 -11.409 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.407 12.442 -11.665 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.163 11.960 -10.513 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.274 11.549 -9.594 1.00 0.00 C HETATM 1364 C4A HEM A 95 23.968 11.762 -10.149 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.623 10.933 -8.248 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.603 11.333 -10.514 1.00 0.00 C HETATM 1367 CBA HEM A 95 27.871 9.862 -10.123 1.00 0.00 C HETATM 1368 CGA HEM A 95 28.644 9.720 -8.820 1.00 0.00 C HETATM 1369 O1A HEM A 95 29.045 8.580 -8.474 1.00 0.00 O HETATM 1370 O2A HEM A 95 28.874 10.746 -8.131 1.00 0.00 O HETATM 1371 NB HEM A 95 21.241 12.159 -11.269 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.524 11.636 -10.045 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.296 11.313 -9.338 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.290 11.645 -10.161 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.876 12.201 -11.381 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.139 10.695 -7.958 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.818 11.482 -9.870 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.138 10.495 -9.633 1.00 0.00 C HETATM 1379 NC HEM A 95 21.054 13.300 -13.854 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.720 13.155 -13.605 1.00 0.00 C HETATM 1381 C2C HEM A 95 18.951 13.615 -14.737 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.863 14.067 -15.675 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.163 13.839 -15.121 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.468 13.665 -14.908 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.493 14.645 -17.002 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.586 15.194 -17.298 1.00 0.00 C HETATM 1387 ND HEM A 95 23.890 13.415 -13.989 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.599 13.945 -15.232 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.860 14.275 -15.925 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.824 13.932 -15.086 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.235 13.400 -13.880 1.00 0.00 C HETATM 1392 CMD HEM A 95 24.975 14.881 -17.290 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.407 14.241 -15.085 1.00 0.00 C HETATM 1394 CBD HEM A 95 28.114 13.409 -16.183 1.00 0.00 C HETATM 1395 CGD HEM A 95 29.579 13.148 -15.837 1.00 0.00 C HETATM 1396 O1D HEM A 95 30.429 14.016 -15.643 1.00 0.00 O HETATM 1397 O2D HEM A 95 29.849 11.872 -16.075 1.00 0.00 O HETATM 0 HMA1 HEM A 95 24.824 11.139 -7.535 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 26.556 11.362 -7.882 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.739 9.855 -8.360 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.214 11.049 -7.504 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 20.984 10.983 -7.332 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.107 9.609 -8.047 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 17.008 12.862 -14.332 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.219 13.543 -15.962 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.093 14.626 -14.555 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 24.125 14.572 -17.898 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 25.899 14.545 -17.761 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 24.986 15.968 -17.206 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.069 10.601 -9.447 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.600 9.508 -9.608 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.475 15.551 -18.322 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.799 15.381 -16.567 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 28.428 9.376 -10.924 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 26.920 9.338 -10.033 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 28.211 11.947 -9.850 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 27.999 11.465 -11.521 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 28.053 13.936 -17.135 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.595 12.459 -16.311 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 27.831 14.004 -14.109 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 27.578 15.304 -15.257 1.00 0.00 H new HETATM 0 HHA HEM A 95 26.998 12.972 -12.842 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.841 11.015 -8.515 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.118 12.585 -12.418 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.271 14.554 -16.737 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.258 12.417 -9.872 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.229 14.502 -17.793 1.00 0.00 H new