USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=26 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 71 SER OG : rot 180:sc= -0.105 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -1.76 (180deg=-1.76) USER MOD Set 2.1: A 49 GLN :FLIP amide:sc= 0.205 F(o=-0.78,f=0.11) USER MOD Set 2.2: A 57 ASN :FLIP amide:sc= -0.0981 X(o=0.068,f=0.11) USER MOD Set 3.1: A 35 TYR OH : rot 30:sc= -3.12! USER MOD Set 3.2: A 95 HEM CMA :methyl 150:sc= -3.51! (180deg=-3.51!) USER MOD Set 4.1: A 26 HIS : no HE2:sc= -2.4 K(o=-1.5,f=-10!) USER MOD Set 4.2: A 30 TYR OH : rot 124:sc= 0.941 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 15:sc= -0.517 USER MOD Single : A 8 THR OG1 : rot 59:sc= 0.227 USER MOD Single : A 13 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -6.25! C(o=-6.2!,f=-7.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 28:sc= 1.29 USER MOD Single : A 27 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-1.9) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 121:sc= 2.05 USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 1.05 (180deg=1) USER MOD Single : A 55 THR OG1 : rot 20:sc= 0.391 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 72 LYS NZ :NH3+ 155:sc= -0.026 (180deg=-0.311) 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 HE2:sc= 0.318 K(o=0.32,f=-7.7!) USER MOD Single : A 85 SER OG : rot -48:sc= 1.18 USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= -1.26 (180deg=-1.65!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.47! (180deg=-5.88!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -8.02! (180deg=-12.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 2.856 -0.568 -7.650 1.00 0.00 N ATOM 2 CA VAL A 4 3.474 0.647 -8.153 1.00 0.00 C ATOM 3 C VAL A 4 2.397 1.712 -8.367 1.00 0.00 C ATOM 4 O VAL A 4 1.206 1.416 -8.303 1.00 0.00 O ATOM 5 CB VAL A 4 4.272 0.341 -9.423 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.390 0.465 -10.667 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.502 1.244 -9.529 1.00 0.00 C ATOM 0 HA VAL A 4 4.183 1.043 -7.426 1.00 0.00 H new ATOM 0 HB VAL A 4 4.620 -0.690 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.981 0.243 -11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.561 -0.239 -10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.999 1.480 -10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.051 1.006 -10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.186 2.287 -9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.147 1.084 -8.665 1.00 0.00 H new ATOM 17 N LYS A 5 2.855 2.930 -8.616 1.00 0.00 N ATOM 18 CA LYS A 5 1.945 4.041 -8.839 1.00 0.00 C ATOM 19 C LYS A 5 2.116 4.555 -10.269 1.00 0.00 C ATOM 20 O LYS A 5 3.220 4.915 -10.676 1.00 0.00 O ATOM 21 CB LYS A 5 2.143 5.118 -7.770 1.00 0.00 C ATOM 22 CG LYS A 5 0.983 5.120 -6.773 1.00 0.00 C ATOM 23 CD LYS A 5 -0.128 6.069 -7.226 1.00 0.00 C ATOM 24 CE LYS A 5 -0.882 5.496 -8.429 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.217 6.123 -8.550 1.00 0.00 N ATOM 0 H LYS A 5 3.844 3.172 -8.668 1.00 0.00 H new ATOM 0 HA LYS A 5 0.910 3.712 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.081 4.944 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.221 6.096 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.585 4.111 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.345 5.421 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.823 6.239 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.300 7.037 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.309 5.668 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.989 4.417 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.715 5.723 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.767 5.938 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.108 7.149 -8.677 1.00 0.00 H new ATOM 39 N TYR A 6 1.007 4.573 -10.995 1.00 0.00 N ATOM 40 CA TYR A 6 1.020 5.037 -12.371 1.00 0.00 C ATOM 41 C TYR A 6 0.502 6.474 -12.471 1.00 0.00 C ATOM 42 O TYR A 6 -0.679 6.728 -12.243 1.00 0.00 O ATOM 43 CB TYR A 6 0.073 4.112 -13.137 1.00 0.00 C ATOM 44 CG TYR A 6 0.489 2.639 -13.118 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.772 2.281 -13.481 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.416 1.671 -12.737 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.164 0.895 -13.462 1.00 0.00 C ATOM 48 CE2 TYR A 6 -0.024 0.285 -12.719 1.00 0.00 C ATOM 49 CZ TYR A 6 1.247 -0.034 -13.082 1.00 0.00 C ATOM 50 OH TYR A 6 1.617 -1.342 -13.065 1.00 0.00 O ATOM 0 H TYR A 6 0.093 4.273 -10.655 1.00 0.00 H new ATOM 0 HA TYR A 6 2.034 5.022 -12.771 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.927 4.202 -12.713 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.012 4.448 -14.172 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.481 3.039 -13.779 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.419 1.952 -12.452 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.164 0.600 -13.743 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.724 -0.483 -12.424 1.00 0.00 H new ATOM 0 HH TYR A 6 0.861 -1.892 -12.772 1.00 0.00 H new ATOM 60 N TYR A 7 1.412 7.374 -12.810 1.00 0.00 N ATOM 61 CA TYR A 7 1.062 8.778 -12.943 1.00 0.00 C ATOM 62 C TYR A 7 0.861 9.157 -14.412 1.00 0.00 C ATOM 63 O TYR A 7 1.488 8.578 -15.297 1.00 0.00 O ATOM 64 CB TYR A 7 2.251 9.564 -12.384 1.00 0.00 C ATOM 65 CG TYR A 7 2.759 9.047 -11.036 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.905 8.987 -9.954 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.072 8.643 -10.903 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.384 8.501 -8.686 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.551 8.157 -9.635 1.00 0.00 C ATOM 70 CZ TYR A 7 3.683 8.110 -8.589 1.00 0.00 C ATOM 71 OH TYR A 7 4.135 7.652 -7.391 1.00 0.00 O ATOM 0 H TYR A 7 2.391 7.159 -12.997 1.00 0.00 H new ATOM 0 HA TYR A 7 0.133 8.993 -12.415 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.067 9.531 -13.106 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.964 10.610 -12.276 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.878 9.304 -10.058 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.740 8.691 -11.750 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.726 8.448 -7.831 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.576 7.837 -9.517 1.00 0.00 H new ATOM 0 HH TYR A 7 3.373 7.449 -6.810 1.00 0.00 H new ATOM 81 N THR A 8 -0.015 10.128 -14.624 1.00 0.00 N ATOM 82 CA THR A 8 -0.306 10.591 -15.970 1.00 0.00 C ATOM 83 C THR A 8 0.794 11.535 -16.460 1.00 0.00 C ATOM 84 O THR A 8 1.438 12.211 -15.659 1.00 0.00 O ATOM 85 CB THR A 8 -1.695 11.231 -15.960 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.753 11.917 -14.712 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.817 10.195 -15.866 1.00 0.00 C ATOM 0 H THR A 8 -0.532 10.607 -13.887 1.00 0.00 H new ATOM 0 HA THR A 8 -0.319 9.763 -16.678 1.00 0.00 H new ATOM 0 HB THR A 8 -1.825 11.827 -16.863 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.030 12.577 -14.667 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.782 10.703 -15.863 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.764 9.522 -16.722 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.706 9.621 -14.946 1.00 0.00 H new ATOM 95 N LEU A 9 0.976 11.550 -17.772 1.00 0.00 N ATOM 96 CA LEU A 9 1.987 12.400 -18.377 1.00 0.00 C ATOM 97 C LEU A 9 1.749 13.850 -17.952 1.00 0.00 C ATOM 98 O LEU A 9 2.645 14.687 -18.058 1.00 0.00 O ATOM 99 CB LEU A 9 2.018 12.200 -19.894 1.00 0.00 C ATOM 100 CG LEU A 9 1.025 13.040 -20.701 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.215 12.819 -22.202 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.413 12.764 -20.258 1.00 0.00 C ATOM 0 H LEU A 9 0.440 10.987 -18.433 1.00 0.00 H new ATOM 0 HA LEU A 9 2.980 12.123 -18.022 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.024 12.422 -20.249 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.830 11.147 -20.106 1.00 0.00 H new ATOM 0 HG LEU A 9 1.226 14.093 -20.502 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.498 13.427 -22.753 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.227 13.105 -22.487 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.056 11.767 -22.438 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.098 13.373 -20.847 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.644 11.709 -20.409 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.522 13.012 -19.202 1.00 0.00 H new ATOM 114 N GLU A 10 0.536 14.104 -17.482 1.00 0.00 N ATOM 115 CA GLU A 10 0.169 15.440 -17.041 1.00 0.00 C ATOM 116 C GLU A 10 0.988 15.837 -15.811 1.00 0.00 C ATOM 117 O GLU A 10 1.333 17.005 -15.642 1.00 0.00 O ATOM 118 CB GLU A 10 -1.330 15.528 -16.754 1.00 0.00 C ATOM 119 CG GLU A 10 -2.043 16.375 -17.811 1.00 0.00 C ATOM 120 CD GLU A 10 -1.514 17.810 -17.809 1.00 0.00 C ATOM 121 OE1 GLU A 10 -2.072 18.621 -17.039 1.00 0.00 O ATOM 122 OE2 GLU A 10 -0.563 18.065 -18.581 1.00 0.00 O ATOM 0 H GLU A 10 -0.205 13.408 -17.397 1.00 0.00 H new ATOM 0 HA GLU A 10 0.394 16.142 -17.844 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.760 14.526 -16.735 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.490 15.962 -15.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.899 15.931 -18.796 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.116 16.378 -17.617 1.00 0.00 H new ATOM 129 N GLU A 11 1.274 14.842 -14.984 1.00 0.00 N ATOM 130 CA GLU A 11 2.046 15.073 -13.776 1.00 0.00 C ATOM 131 C GLU A 11 3.442 15.594 -14.127 1.00 0.00 C ATOM 132 O GLU A 11 3.738 16.770 -13.926 1.00 0.00 O ATOM 133 CB GLU A 11 2.133 13.801 -12.928 1.00 0.00 C ATOM 134 CG GLU A 11 1.301 13.934 -11.651 1.00 0.00 C ATOM 135 CD GLU A 11 -0.114 13.389 -11.860 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.737 13.798 -12.864 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.540 12.578 -11.012 1.00 0.00 O ATOM 0 H GLU A 11 0.985 13.874 -15.127 1.00 0.00 H new ATOM 0 HA GLU A 11 1.535 15.832 -13.183 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.781 12.948 -13.508 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.173 13.603 -12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.786 13.394 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.251 14.981 -11.352 1.00 0.00 H new ATOM 144 N ILE A 12 4.261 14.691 -14.646 1.00 0.00 N ATOM 145 CA ILE A 12 5.618 15.045 -15.028 1.00 0.00 C ATOM 146 C ILE A 12 5.630 16.468 -15.590 1.00 0.00 C ATOM 147 O ILE A 12 6.528 17.252 -15.287 1.00 0.00 O ATOM 148 CB ILE A 12 6.194 14.001 -15.986 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.078 13.250 -16.716 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.142 13.049 -15.254 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.766 11.922 -16.022 1.00 0.00 C ATOM 0 H ILE A 12 4.012 13.716 -14.811 1.00 0.00 H new ATOM 0 HA ILE A 12 6.273 15.040 -14.157 1.00 0.00 H new ATOM 0 HB ILE A 12 6.781 14.520 -16.744 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.180 13.867 -16.748 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.375 13.064 -17.748 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.537 12.317 -15.958 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.965 13.617 -14.821 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.600 12.534 -14.461 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.970 11.408 -16.561 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.659 11.298 -16.013 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.446 12.113 -14.998 1.00 0.00 H new ATOM 163 N GLN A 13 4.623 16.760 -16.401 1.00 0.00 N ATOM 164 CA GLN A 13 4.506 18.074 -17.008 1.00 0.00 C ATOM 165 C GLN A 13 4.410 19.152 -15.926 1.00 0.00 C ATOM 166 O GLN A 13 5.393 19.829 -15.630 1.00 0.00 O ATOM 167 CB GLN A 13 3.305 18.137 -17.953 1.00 0.00 C ATOM 168 CG GLN A 13 3.611 17.431 -19.275 1.00 0.00 C ATOM 169 CD GLN A 13 3.592 18.419 -20.444 1.00 0.00 C ATOM 170 OE1 GLN A 13 3.439 19.617 -20.273 1.00 0.00 O ATOM 171 NE2 GLN A 13 3.755 17.852 -21.635 1.00 0.00 N ATOM 0 H GLN A 13 3.880 16.107 -16.652 1.00 0.00 H new ATOM 0 HA GLN A 13 5.402 18.260 -17.600 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.440 17.672 -17.480 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.042 19.177 -18.144 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.588 16.950 -19.217 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.878 16.643 -19.448 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.878 16.842 -21.706 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.757 18.427 -22.478 1.00 0.00 H new ATOM 180 N LYS A 14 3.216 19.277 -15.367 1.00 0.00 N ATOM 181 CA LYS A 14 2.977 20.261 -14.323 1.00 0.00 C ATOM 182 C LYS A 14 4.109 20.192 -13.296 1.00 0.00 C ATOM 183 O LYS A 14 4.403 21.180 -12.623 1.00 0.00 O ATOM 184 CB LYS A 14 1.585 20.074 -13.719 1.00 0.00 C ATOM 185 CG LYS A 14 1.438 18.682 -13.101 1.00 0.00 C ATOM 186 CD LYS A 14 -0.037 18.324 -12.903 1.00 0.00 C ATOM 187 CE LYS A 14 -0.205 17.296 -11.782 1.00 0.00 C ATOM 188 NZ LYS A 14 -0.939 17.890 -10.641 1.00 0.00 N ATOM 0 H LYS A 14 2.403 18.714 -15.617 1.00 0.00 H new ATOM 0 HA LYS A 14 2.984 21.268 -14.739 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.410 20.834 -12.958 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.828 20.215 -14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.912 17.942 -13.745 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.956 18.649 -12.143 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.605 19.224 -12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.446 17.925 -13.831 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.744 16.426 -12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.773 16.947 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.045 17.180 -9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.409 18.706 -10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.879 18.202 -10.958 1.00 0.00 H new ATOM 202 N HIS A 15 4.714 19.017 -13.206 1.00 0.00 N ATOM 203 CA HIS A 15 5.806 18.807 -12.271 1.00 0.00 C ATOM 204 C HIS A 15 7.141 19.056 -12.977 1.00 0.00 C ATOM 205 O HIS A 15 8.089 18.290 -12.809 1.00 0.00 O ATOM 206 CB HIS A 15 5.721 17.415 -11.640 1.00 0.00 C ATOM 207 CG HIS A 15 4.443 17.166 -10.875 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.011 17.987 -9.847 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.507 16.181 -11.000 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.868 17.506 -9.381 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.556 16.388 -10.096 1.00 0.00 N ATOM 0 H HIS A 15 4.469 18.200 -13.765 1.00 0.00 H new ATOM 0 HA HIS A 15 5.729 19.520 -11.450 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.815 16.665 -12.425 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.568 17.280 -10.967 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.491 18.820 -9.507 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.535 15.370 -11.713 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.285 17.926 -8.575 1.00 0.00 H new ATOM 219 N LYS A 16 7.171 20.130 -13.752 1.00 0.00 N ATOM 220 CA LYS A 16 8.374 20.490 -14.484 1.00 0.00 C ATOM 221 C LYS A 16 9.002 21.731 -13.847 1.00 0.00 C ATOM 222 O LYS A 16 9.740 22.464 -14.503 1.00 0.00 O ATOM 223 CB LYS A 16 8.066 20.653 -15.974 1.00 0.00 C ATOM 224 CG LYS A 16 9.352 20.810 -16.786 1.00 0.00 C ATOM 225 CD LYS A 16 9.160 20.309 -18.220 1.00 0.00 C ATOM 226 CE LYS A 16 8.821 21.466 -19.163 1.00 0.00 C ATOM 227 NZ LYS A 16 9.176 21.118 -20.557 1.00 0.00 N ATOM 0 H LYS A 16 6.382 20.762 -13.889 1.00 0.00 H new ATOM 0 HA LYS A 16 9.112 19.690 -14.420 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.510 19.786 -16.331 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.428 21.524 -16.124 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.652 21.858 -16.800 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.158 20.254 -16.308 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.068 19.812 -18.560 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.362 19.567 -18.246 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.757 21.696 -19.099 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.360 22.363 -18.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.940 21.913 -21.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.195 20.921 -20.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.643 20.275 -20.851 1.00 0.00 H new ATOM 241 N ASP A 17 8.685 21.928 -12.575 1.00 0.00 N ATOM 242 CA ASP A 17 9.209 23.068 -11.842 1.00 0.00 C ATOM 243 C ASP A 17 10.028 22.569 -10.650 1.00 0.00 C ATOM 244 O ASP A 17 9.999 21.383 -10.326 1.00 0.00 O ATOM 245 CB ASP A 17 8.076 23.944 -11.303 1.00 0.00 C ATOM 246 CG ASP A 17 7.268 24.685 -12.371 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.743 25.758 -12.798 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.193 24.161 -12.734 1.00 0.00 O ATOM 0 H ASP A 17 8.072 21.318 -12.034 1.00 0.00 H new ATOM 0 HA ASP A 17 9.825 23.654 -12.524 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.397 23.318 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.499 24.676 -10.615 1.00 0.00 H new ATOM 253 N SER A 18 10.740 23.499 -10.031 1.00 0.00 N ATOM 254 CA SER A 18 11.566 23.169 -8.883 1.00 0.00 C ATOM 255 C SER A 18 10.710 22.527 -7.789 1.00 0.00 C ATOM 256 O SER A 18 11.066 21.479 -7.251 1.00 0.00 O ATOM 257 CB SER A 18 12.278 24.410 -8.340 1.00 0.00 C ATOM 258 OG SER A 18 13.659 24.429 -8.688 1.00 0.00 O ATOM 0 H SER A 18 10.762 24.482 -10.303 1.00 0.00 H new ATOM 0 HA SER A 18 12.328 22.458 -9.204 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.794 25.305 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.177 24.440 -7.255 1.00 0.00 H new ATOM 0 HG SER A 18 14.077 25.237 -8.324 1.00 0.00 H new ATOM 264 N LYS A 19 9.597 23.183 -7.493 1.00 0.00 N ATOM 265 CA LYS A 19 8.687 22.689 -6.473 1.00 0.00 C ATOM 266 C LYS A 19 8.519 21.177 -6.634 1.00 0.00 C ATOM 267 O LYS A 19 8.591 20.434 -5.657 1.00 0.00 O ATOM 268 CB LYS A 19 7.367 23.463 -6.513 1.00 0.00 C ATOM 269 CG LYS A 19 6.708 23.351 -7.890 1.00 0.00 C ATOM 270 CD LYS A 19 5.335 24.025 -7.896 1.00 0.00 C ATOM 271 CE LYS A 19 5.320 25.230 -8.837 1.00 0.00 C ATOM 272 NZ LYS A 19 4.072 26.006 -8.667 1.00 0.00 N ATOM 0 H LYS A 19 9.305 24.051 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 19 9.100 22.859 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.691 23.077 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.549 24.511 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.347 23.813 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.603 22.301 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.575 23.308 -8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.078 24.345 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.181 25.867 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.408 24.893 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.079 26.820 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.254 25.400 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.004 26.344 -7.686 1.00 0.00 H new ATOM 286 N SER A 20 8.298 20.767 -7.875 1.00 0.00 N ATOM 287 CA SER A 20 8.120 19.358 -8.176 1.00 0.00 C ATOM 288 C SER A 20 8.835 19.006 -9.482 1.00 0.00 C ATOM 289 O SER A 20 8.305 19.238 -10.567 1.00 0.00 O ATOM 290 CB SER A 20 6.635 18.998 -8.271 1.00 0.00 C ATOM 291 OG SER A 20 6.014 18.949 -6.990 1.00 0.00 O ATOM 0 H SER A 20 8.238 21.387 -8.683 1.00 0.00 H new ATOM 0 HA SER A 20 8.556 18.778 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.123 19.732 -8.894 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.527 18.031 -8.763 1.00 0.00 H new ATOM 0 HG SER A 20 5.067 18.718 -7.094 1.00 0.00 H new ATOM 297 N THR A 21 10.030 18.453 -9.334 1.00 0.00 N ATOM 298 CA THR A 21 10.824 18.068 -10.487 1.00 0.00 C ATOM 299 C THR A 21 10.769 16.552 -10.691 1.00 0.00 C ATOM 300 O THR A 21 11.324 15.794 -9.897 1.00 0.00 O ATOM 301 CB THR A 21 12.244 18.602 -10.285 1.00 0.00 C ATOM 302 OG1 THR A 21 12.156 19.972 -10.665 1.00 0.00 O ATOM 303 CG2 THR A 21 13.242 18.003 -11.277 1.00 0.00 C ATOM 0 H THR A 21 10.467 18.263 -8.432 1.00 0.00 H new ATOM 0 HA THR A 21 10.425 18.503 -11.403 1.00 0.00 H new ATOM 0 HB THR A 21 12.571 18.387 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.244 20.296 -10.513 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.233 18.416 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.271 16.920 -11.155 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.934 18.246 -12.294 1.00 0.00 H new ATOM 311 N TRP A 22 10.094 16.155 -11.760 1.00 0.00 N ATOM 312 CA TRP A 22 9.960 14.743 -12.078 1.00 0.00 C ATOM 313 C TRP A 22 10.675 14.488 -13.406 1.00 0.00 C ATOM 314 O TRP A 22 10.874 15.410 -14.196 1.00 0.00 O ATOM 315 CB TRP A 22 8.488 14.324 -12.101 1.00 0.00 C ATOM 316 CG TRP A 22 7.951 13.866 -10.743 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.435 14.148 -9.526 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.799 13.027 -10.514 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.683 13.555 -8.533 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.656 12.851 -9.152 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.907 12.436 -11.426 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.633 12.085 -8.582 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.890 11.673 -10.840 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.732 11.487 -9.471 1.00 0.00 C ATOM 0 H TRP A 22 9.634 16.786 -12.417 1.00 0.00 H new ATOM 0 HA TRP A 22 10.426 14.128 -11.308 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.887 15.162 -12.454 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.362 13.516 -12.822 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.305 14.762 -9.345 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.850 13.621 -7.529 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.999 12.561 -12.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.543 11.962 -7.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.178 11.195 -11.497 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.918 10.884 -9.096 1.00 0.00 H new ATOM 335 N VAL A 23 11.040 13.231 -13.613 1.00 0.00 N ATOM 336 CA VAL A 23 11.728 12.842 -14.833 1.00 0.00 C ATOM 337 C VAL A 23 11.525 11.345 -15.072 1.00 0.00 C ATOM 338 O VAL A 23 11.891 10.523 -14.233 1.00 0.00 O ATOM 339 CB VAL A 23 13.203 13.240 -14.749 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.891 12.557 -13.566 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.929 12.928 -16.060 1.00 0.00 C ATOM 0 H VAL A 23 10.872 12.469 -12.956 1.00 0.00 H new ATOM 0 HA VAL A 23 11.311 13.367 -15.692 1.00 0.00 H new ATOM 0 HB VAL A 23 13.250 14.317 -14.586 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.938 12.858 -13.531 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.398 12.850 -12.639 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.828 11.475 -13.684 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.976 13.220 -15.975 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.866 11.859 -16.265 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.463 13.482 -16.875 1.00 0.00 H new ATOM 351 N ILE A 24 10.943 11.035 -16.221 1.00 0.00 N ATOM 352 CA ILE A 24 10.687 9.652 -16.582 1.00 0.00 C ATOM 353 C ILE A 24 12.019 8.943 -16.841 1.00 0.00 C ATOM 354 O ILE A 24 12.657 9.169 -17.867 1.00 0.00 O ATOM 355 CB ILE A 24 9.712 9.577 -17.758 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.372 10.225 -17.401 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.540 8.133 -18.236 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.798 10.989 -18.595 1.00 0.00 C ATOM 0 H ILE A 24 10.641 11.719 -16.915 1.00 0.00 H new ATOM 0 HA ILE A 24 10.200 9.127 -15.760 1.00 0.00 H new ATOM 0 HB ILE A 24 10.134 10.144 -18.588 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.666 9.458 -17.082 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.505 10.905 -16.560 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.842 8.107 -19.073 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.504 7.738 -18.556 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.151 7.524 -17.420 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.846 11.440 -18.315 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.495 11.771 -18.896 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.643 10.301 -19.427 1.00 0.00 H new ATOM 370 N LEU A 25 12.397 8.097 -15.893 1.00 0.00 N ATOM 371 CA LEU A 25 13.640 7.353 -16.006 1.00 0.00 C ATOM 372 C LEU A 25 13.330 5.856 -16.057 1.00 0.00 C ATOM 373 O LEU A 25 12.706 5.316 -15.145 1.00 0.00 O ATOM 374 CB LEU A 25 14.602 7.745 -14.882 1.00 0.00 C ATOM 375 CG LEU A 25 15.798 8.604 -15.293 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.383 9.676 -16.302 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.486 9.208 -14.066 1.00 0.00 C ATOM 0 H LEU A 25 11.864 7.911 -15.043 1.00 0.00 H new ATOM 0 HA LEU A 25 14.152 7.604 -16.935 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.039 8.283 -14.119 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.977 6.833 -14.417 1.00 0.00 H new ATOM 0 HG LEU A 25 16.526 7.961 -15.788 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.253 10.273 -16.577 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.974 9.199 -17.192 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.626 10.322 -15.856 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.333 9.814 -14.386 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.777 9.833 -13.522 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.838 8.407 -13.415 1.00 0.00 H new ATOM 389 N HIS A 26 13.780 5.228 -17.133 1.00 0.00 N ATOM 390 CA HIS A 26 13.559 3.803 -17.316 1.00 0.00 C ATOM 391 C HIS A 26 12.155 3.436 -16.832 1.00 0.00 C ATOM 392 O HIS A 26 11.996 2.562 -15.981 1.00 0.00 O ATOM 393 CB HIS A 26 14.656 2.990 -16.625 1.00 0.00 C ATOM 394 CG HIS A 26 15.474 3.782 -15.633 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.365 4.770 -16.015 1.00 0.00 N ATOM 396 CD2 HIS A 26 15.527 3.721 -14.271 1.00 0.00 C ATOM 397 CE1 HIS A 26 16.924 5.274 -14.925 1.00 0.00 C ATOM 398 NE2 HIS A 26 16.403 4.622 -13.846 1.00 0.00 N ATOM 0 H HIS A 26 14.297 5.680 -17.887 1.00 0.00 H new ATOM 0 HA HIS A 26 13.617 3.555 -18.376 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.198 2.145 -16.111 1.00 0.00 H new ATOM 0 HB3 HIS A 26 15.322 2.579 -17.384 1.00 0.00 H new ATOM 0 HD1 HIS A 26 16.558 5.061 -16.973 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.953 3.053 -13.645 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.662 6.062 -14.896 1.00 0.00 H new ATOM 406 N HIS A 27 11.171 4.122 -17.395 1.00 0.00 N ATOM 407 CA HIS A 27 9.786 3.879 -17.032 1.00 0.00 C ATOM 408 C HIS A 27 9.629 3.972 -15.512 1.00 0.00 C ATOM 409 O HIS A 27 9.088 3.063 -14.884 1.00 0.00 O ATOM 410 CB HIS A 27 9.302 2.542 -17.597 1.00 0.00 C ATOM 411 CG HIS A 27 9.726 2.289 -19.023 1.00 0.00 C ATOM 412 ND1 HIS A 27 11.028 1.977 -19.376 1.00 0.00 N ATOM 413 CD2 HIS A 27 9.007 2.304 -20.183 1.00 0.00 C ATOM 414 CE1 HIS A 27 11.079 1.815 -20.689 1.00 0.00 C ATOM 415 NE2 HIS A 27 9.826 2.019 -21.187 1.00 0.00 N ATOM 0 H HIS A 27 11.306 4.846 -18.100 1.00 0.00 H new ATOM 0 HA HIS A 27 9.151 4.646 -17.476 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.679 1.736 -16.968 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.214 2.508 -17.541 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.951 2.512 -20.269 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.958 1.565 -21.264 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.562 1.962 -22.171 1.00 0.00 H new ATOM 423 N LYS A 28 10.113 5.078 -14.966 1.00 0.00 N ATOM 424 CA LYS A 28 10.034 5.301 -13.532 1.00 0.00 C ATOM 425 C LYS A 28 10.410 6.751 -13.225 1.00 0.00 C ATOM 426 O LYS A 28 11.591 7.092 -13.168 1.00 0.00 O ATOM 427 CB LYS A 28 10.884 4.273 -12.783 1.00 0.00 C ATOM 428 CG LYS A 28 10.005 3.195 -12.147 1.00 0.00 C ATOM 429 CD LYS A 28 10.734 1.850 -12.102 1.00 0.00 C ATOM 430 CE LYS A 28 11.031 1.435 -10.659 1.00 0.00 C ATOM 431 NZ LYS A 28 11.638 0.086 -10.622 1.00 0.00 N ATOM 0 H LYS A 28 10.561 5.829 -15.491 1.00 0.00 H new ATOM 0 HA LYS A 28 9.013 5.154 -13.179 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.592 3.811 -13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.469 4.773 -12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.727 3.496 -11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.080 3.093 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.125 1.086 -12.586 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.666 1.918 -12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.706 2.157 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.110 1.442 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.833 -0.180 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.981 -0.602 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.527 0.090 -11.162 1.00 0.00 H new ATOM 445 N VAL A 29 9.384 7.568 -13.035 1.00 0.00 N ATOM 446 CA VAL A 29 9.592 8.974 -12.736 1.00 0.00 C ATOM 447 C VAL A 29 10.470 9.101 -11.488 1.00 0.00 C ATOM 448 O VAL A 29 10.313 8.339 -10.535 1.00 0.00 O ATOM 449 CB VAL A 29 8.244 9.685 -12.593 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.356 9.424 -13.811 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.539 9.268 -11.301 1.00 0.00 C ATOM 0 H VAL A 29 8.406 7.282 -13.082 1.00 0.00 H new ATOM 0 HA VAL A 29 10.117 9.465 -13.555 1.00 0.00 H new ATOM 0 HB VAL A 29 8.434 10.757 -12.540 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.404 9.940 -13.685 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.852 9.793 -14.709 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.178 8.353 -13.909 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.584 9.787 -11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.367 8.192 -11.311 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.163 9.527 -10.446 1.00 0.00 H new ATOM 461 N TYR A 30 11.373 10.069 -11.535 1.00 0.00 N ATOM 462 CA TYR A 30 12.274 10.305 -10.420 1.00 0.00 C ATOM 463 C TYR A 30 12.030 11.681 -9.799 1.00 0.00 C ATOM 464 O TYR A 30 12.371 12.704 -10.390 1.00 0.00 O ATOM 465 CB TYR A 30 13.688 10.267 -11.006 1.00 0.00 C ATOM 466 CG TYR A 30 14.290 8.863 -11.090 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.499 7.758 -10.847 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.624 8.702 -11.407 1.00 0.00 C ATOM 469 CE1 TYR A 30 14.066 6.436 -10.926 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.190 7.380 -11.486 1.00 0.00 C ATOM 471 CZ TYR A 30 15.383 6.313 -11.241 1.00 0.00 C ATOM 472 OH TYR A 30 15.919 5.065 -11.315 1.00 0.00 O ATOM 0 H TYR A 30 11.500 10.699 -12.327 1.00 0.00 H new ATOM 0 HA TYR A 30 12.123 9.558 -9.640 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.668 10.703 -12.005 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.339 10.894 -10.398 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.456 7.885 -10.598 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.243 9.567 -11.596 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.459 5.563 -10.739 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.232 7.239 -11.734 1.00 0.00 H new ATOM 0 HH TYR A 30 16.321 4.934 -12.199 1.00 0.00 H new ATOM 482 N ASP A 31 11.440 11.663 -8.612 1.00 0.00 N ATOM 483 CA ASP A 31 11.145 12.897 -7.904 1.00 0.00 C ATOM 484 C ASP A 31 12.430 13.437 -7.272 1.00 0.00 C ATOM 485 O ASP A 31 12.618 13.338 -6.060 1.00 0.00 O ATOM 486 CB ASP A 31 10.130 12.660 -6.783 1.00 0.00 C ATOM 487 CG ASP A 31 9.749 13.906 -5.982 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.845 15.007 -6.566 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.369 13.729 -4.804 1.00 0.00 O ATOM 0 H ASP A 31 11.159 10.813 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 31 10.732 13.606 -8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.225 12.234 -7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.535 11.916 -6.098 1.00 0.00 H new ATOM 494 N LEU A 32 13.280 13.994 -8.120 1.00 0.00 N ATOM 495 CA LEU A 32 14.542 14.549 -7.660 1.00 0.00 C ATOM 496 C LEU A 32 14.359 16.039 -7.362 1.00 0.00 C ATOM 497 O LEU A 32 15.192 16.859 -7.747 1.00 0.00 O ATOM 498 CB LEU A 32 15.656 14.255 -8.666 1.00 0.00 C ATOM 499 CG LEU A 32 15.530 14.944 -10.026 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.707 15.891 -10.272 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.376 13.917 -11.150 1.00 0.00 C ATOM 0 H LEU A 32 13.120 14.073 -9.124 1.00 0.00 H new ATOM 0 HA LEU A 32 14.852 14.072 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.607 14.546 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.697 13.178 -8.829 1.00 0.00 H new ATOM 0 HG LEU A 32 14.624 15.551 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.593 16.368 -11.246 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.728 16.654 -9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.639 15.326 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.288 14.434 -12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.249 13.265 -11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.481 13.320 -10.977 1.00 0.00 H new ATOM 513 N THR A 33 13.266 16.344 -6.680 1.00 0.00 N ATOM 514 CA THR A 33 12.964 17.721 -6.326 1.00 0.00 C ATOM 515 C THR A 33 14.002 18.257 -5.338 1.00 0.00 C ATOM 516 O THR A 33 14.551 19.340 -5.536 1.00 0.00 O ATOM 517 CB THR A 33 11.532 17.768 -5.789 1.00 0.00 C ATOM 518 OG1 THR A 33 10.734 17.338 -6.887 1.00 0.00 O ATOM 519 CG2 THR A 33 11.055 19.196 -5.518 1.00 0.00 C ATOM 0 H THR A 33 12.578 15.661 -6.363 1.00 0.00 H new ATOM 0 HA THR A 33 13.021 18.375 -7.196 1.00 0.00 H new ATOM 0 HB THR A 33 11.470 17.184 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.222 16.544 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.033 19.173 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.706 19.663 -4.779 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.085 19.771 -6.443 1.00 0.00 H new ATOM 527 N LYS A 34 14.240 17.475 -4.296 1.00 0.00 N ATOM 528 CA LYS A 34 15.202 17.857 -3.277 1.00 0.00 C ATOM 529 C LYS A 34 16.616 17.758 -3.853 1.00 0.00 C ATOM 530 O LYS A 34 17.481 18.567 -3.526 1.00 0.00 O ATOM 531 CB LYS A 34 14.995 17.030 -2.007 1.00 0.00 C ATOM 532 CG LYS A 34 13.512 16.727 -1.784 1.00 0.00 C ATOM 533 CD LYS A 34 13.211 15.248 -2.029 1.00 0.00 C ATOM 534 CE LYS A 34 12.064 15.078 -3.026 1.00 0.00 C ATOM 535 NZ LYS A 34 11.140 14.012 -2.577 1.00 0.00 N ATOM 0 H LYS A 34 13.783 16.578 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 34 15.051 18.895 -2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.553 16.097 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.392 17.571 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.232 16.995 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.908 17.340 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.103 14.750 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.952 14.765 -1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.522 16.018 -3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.463 14.831 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.436 13.828 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.679 13.143 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.656 14.316 -1.708 1.00 0.00 H new ATOM 549 N TYR A 35 16.805 16.757 -4.700 1.00 0.00 N ATOM 550 CA TYR A 35 18.099 16.540 -5.325 1.00 0.00 C ATOM 551 C TYR A 35 18.208 17.310 -6.643 1.00 0.00 C ATOM 552 O TYR A 35 19.100 17.048 -7.447 1.00 0.00 O ATOM 553 CB TYR A 35 18.181 15.040 -5.615 1.00 0.00 C ATOM 554 CG TYR A 35 19.516 14.594 -6.214 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.601 14.370 -5.391 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.637 14.418 -7.578 1.00 0.00 C ATOM 557 CE1 TYR A 35 21.858 13.950 -5.954 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.893 13.998 -8.142 1.00 0.00 C ATOM 559 CZ TYR A 35 21.943 13.785 -7.302 1.00 0.00 C ATOM 560 OH TYR A 35 23.129 13.389 -7.835 1.00 0.00 O ATOM 0 H TYR A 35 16.084 16.087 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 35 18.902 16.884 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.009 14.491 -4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.378 14.768 -6.300 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.507 14.510 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.789 14.596 -8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.714 13.770 -5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.000 13.855 -9.207 1.00 0.00 H new ATOM 0 HH TYR A 35 23.611 12.836 -7.185 1.00 0.00 H new ATOM 570 N LEU A 36 17.285 18.244 -6.823 1.00 0.00 N ATOM 571 CA LEU A 36 17.265 19.052 -8.030 1.00 0.00 C ATOM 572 C LEU A 36 18.440 20.032 -8.001 1.00 0.00 C ATOM 573 O LEU A 36 19.145 20.191 -8.996 1.00 0.00 O ATOM 574 CB LEU A 36 15.905 19.730 -8.198 1.00 0.00 C ATOM 575 CG LEU A 36 15.805 20.766 -9.321 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.535 22.056 -8.942 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.310 20.190 -10.645 1.00 0.00 C ATOM 0 H LEU A 36 16.546 18.459 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 36 17.394 18.424 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.156 18.958 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.645 20.216 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 36 14.754 21.019 -9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.449 22.775 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.089 22.474 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.587 21.838 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.228 20.946 -11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.353 19.891 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.710 19.322 -10.917 1.00 0.00 H new ATOM 589 N GLU A 37 18.615 20.664 -6.849 1.00 0.00 N ATOM 590 CA GLU A 37 19.692 21.623 -6.678 1.00 0.00 C ATOM 591 C GLU A 37 20.952 20.921 -6.168 1.00 0.00 C ATOM 592 O GLU A 37 22.026 21.521 -6.119 1.00 0.00 O ATOM 593 CB GLU A 37 19.275 22.754 -5.736 1.00 0.00 C ATOM 594 CG GLU A 37 18.274 23.691 -6.413 1.00 0.00 C ATOM 595 CD GLU A 37 18.238 25.053 -5.715 1.00 0.00 C ATOM 596 OE1 GLU A 37 19.295 25.721 -5.722 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.156 25.393 -5.191 1.00 0.00 O ATOM 0 H GLU A 37 18.028 20.530 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 37 19.915 22.067 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 37 18.832 22.335 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.155 23.318 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.545 23.822 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.281 23.243 -6.394 1.00 0.00 H new ATOM 604 N GLU A 38 20.781 19.659 -5.801 1.00 0.00 N ATOM 605 CA GLU A 38 21.891 18.869 -5.296 1.00 0.00 C ATOM 606 C GLU A 38 22.676 18.254 -6.457 1.00 0.00 C ATOM 607 O GLU A 38 23.859 17.951 -6.319 1.00 0.00 O ATOM 608 CB GLU A 38 21.399 17.787 -4.333 1.00 0.00 C ATOM 609 CG GLU A 38 22.319 17.679 -3.115 1.00 0.00 C ATOM 610 CD GLU A 38 21.590 18.101 -1.837 1.00 0.00 C ATOM 611 OE1 GLU A 38 20.530 17.499 -1.563 1.00 0.00 O ATOM 612 OE2 GLU A 38 22.110 19.018 -1.165 1.00 0.00 O ATOM 0 H GLU A 38 19.890 19.164 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 38 22.558 19.528 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.385 18.018 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.358 16.827 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.675 16.654 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.197 18.308 -3.261 1.00 0.00 H new ATOM 619 N HIS A 39 21.985 18.090 -7.575 1.00 0.00 N ATOM 620 CA HIS A 39 22.603 17.518 -8.759 1.00 0.00 C ATOM 621 C HIS A 39 23.908 18.254 -9.064 1.00 0.00 C ATOM 622 O HIS A 39 23.913 19.473 -9.232 1.00 0.00 O ATOM 623 CB HIS A 39 21.628 17.526 -9.939 1.00 0.00 C ATOM 624 CG HIS A 39 21.998 16.571 -11.048 1.00 0.00 C ATOM 625 ND1 HIS A 39 21.943 16.919 -12.386 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.431 15.278 -11.004 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.327 15.875 -13.107 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.627 14.859 -12.248 1.00 0.00 N ATOM 0 H HIS A 39 21.003 18.343 -7.686 1.00 0.00 H new ATOM 0 HA HIS A 39 22.851 16.473 -8.574 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.631 17.276 -9.575 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.574 18.536 -10.346 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.656 17.825 -12.755 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.588 14.694 -10.109 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.391 15.836 -14.184 1.00 0.00 H new ATOM 636 N PRO A 40 25.013 17.464 -9.129 1.00 0.00 N ATOM 637 CA PRO A 40 26.321 18.028 -9.411 1.00 0.00 C ATOM 638 C PRO A 40 26.454 18.393 -10.891 1.00 0.00 C ATOM 639 O PRO A 40 27.167 19.333 -11.241 1.00 0.00 O ATOM 640 CB PRO A 40 27.313 16.963 -8.970 1.00 0.00 C ATOM 641 CG PRO A 40 26.524 15.666 -8.892 1.00 0.00 C ATOM 642 CD PRO A 40 25.045 16.017 -8.935 1.00 0.00 C ATOM 0 HA PRO A 40 26.499 18.963 -8.880 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.136 16.878 -9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.750 17.213 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.785 15.010 -9.722 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.762 15.129 -7.974 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.538 15.497 -9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.543 15.730 -8.011 1.00 0.00 H new ATOM 650 N GLY A 41 25.757 17.630 -11.720 1.00 0.00 N ATOM 651 CA GLY A 41 25.787 17.862 -13.154 1.00 0.00 C ATOM 652 C GLY A 41 25.212 19.237 -13.500 1.00 0.00 C ATOM 653 O GLY A 41 25.930 20.109 -13.985 1.00 0.00 O ATOM 0 H GLY A 41 25.168 16.851 -11.426 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.813 17.791 -13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.215 17.086 -13.663 1.00 0.00 H new ATOM 657 N GLY A 42 23.923 19.387 -13.237 1.00 0.00 N ATOM 658 CA GLY A 42 23.243 20.640 -13.514 1.00 0.00 C ATOM 659 C GLY A 42 21.806 20.612 -12.992 1.00 0.00 C ATOM 660 O GLY A 42 21.153 19.570 -13.015 1.00 0.00 O ATOM 0 H GLY A 42 23.331 18.661 -12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.786 21.463 -13.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.240 20.826 -14.588 1.00 0.00 H new ATOM 664 N GLU A 43 21.354 21.770 -12.532 1.00 0.00 N ATOM 665 CA GLU A 43 20.006 21.891 -12.003 1.00 0.00 C ATOM 666 C GLU A 43 19.018 22.192 -13.133 1.00 0.00 C ATOM 667 O GLU A 43 17.807 22.194 -12.920 1.00 0.00 O ATOM 668 CB GLU A 43 19.938 22.965 -10.915 1.00 0.00 C ATOM 669 CG GLU A 43 20.378 24.326 -11.459 1.00 0.00 C ATOM 670 CD GLU A 43 21.438 24.960 -10.556 1.00 0.00 C ATOM 671 OE1 GLU A 43 22.344 24.212 -10.131 1.00 0.00 O ATOM 672 OE2 GLU A 43 21.317 26.180 -10.311 1.00 0.00 O ATOM 0 H GLU A 43 21.898 22.633 -12.515 1.00 0.00 H new ATOM 0 HA GLU A 43 19.729 20.941 -11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.920 23.035 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.576 22.681 -10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.777 24.207 -12.466 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.515 24.988 -11.534 1.00 0.00 H new ATOM 679 N GLU A 44 19.573 22.439 -14.310 1.00 0.00 N ATOM 680 CA GLU A 44 18.756 22.740 -15.474 1.00 0.00 C ATOM 681 C GLU A 44 18.569 21.486 -16.330 1.00 0.00 C ATOM 682 O GLU A 44 17.441 21.105 -16.640 1.00 0.00 O ATOM 683 CB GLU A 44 19.369 23.877 -16.295 1.00 0.00 C ATOM 684 CG GLU A 44 18.312 24.553 -17.171 1.00 0.00 C ATOM 685 CD GLU A 44 17.545 25.616 -16.382 1.00 0.00 C ATOM 686 OE1 GLU A 44 16.967 25.242 -15.339 1.00 0.00 O ATOM 687 OE2 GLU A 44 17.553 26.778 -16.841 1.00 0.00 O ATOM 0 H GLU A 44 20.578 22.437 -14.483 1.00 0.00 H new ATOM 0 HA GLU A 44 17.776 23.071 -15.130 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.817 24.612 -15.627 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.170 23.486 -16.922 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.791 25.012 -18.036 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.617 23.805 -17.551 1.00 0.00 H new ATOM 694 N VAL A 45 19.691 20.878 -16.687 1.00 0.00 N ATOM 695 CA VAL A 45 19.664 19.675 -17.501 1.00 0.00 C ATOM 696 C VAL A 45 18.513 18.778 -17.040 1.00 0.00 C ATOM 697 O VAL A 45 17.957 18.019 -17.831 1.00 0.00 O ATOM 698 CB VAL A 45 21.024 18.977 -17.447 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.728 19.248 -16.116 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.878 17.473 -17.695 1.00 0.00 C ATOM 0 H VAL A 45 20.625 21.196 -16.427 1.00 0.00 H new ATOM 0 HA VAL A 45 19.483 19.925 -18.546 1.00 0.00 H new ATOM 0 HB VAL A 45 21.644 19.390 -18.243 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.692 18.740 -16.104 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.881 20.321 -15.997 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.113 18.877 -15.297 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.859 17.000 -17.651 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.232 17.039 -16.932 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.439 17.307 -18.679 1.00 0.00 H new ATOM 710 N LEU A 46 18.189 18.897 -15.761 1.00 0.00 N ATOM 711 CA LEU A 46 17.114 18.106 -15.185 1.00 0.00 C ATOM 712 C LEU A 46 15.771 18.758 -15.520 1.00 0.00 C ATOM 713 O LEU A 46 14.910 18.133 -16.135 1.00 0.00 O ATOM 714 CB LEU A 46 17.342 17.903 -13.686 1.00 0.00 C ATOM 715 CG LEU A 46 18.789 17.657 -13.255 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.039 18.189 -11.843 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.156 16.177 -13.382 1.00 0.00 C ATOM 0 H LEU A 46 18.651 19.529 -15.107 1.00 0.00 H new ATOM 0 HA LEU A 46 17.101 17.107 -15.620 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.972 18.783 -13.160 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.737 17.058 -13.358 1.00 0.00 H new ATOM 0 HG LEU A 46 19.443 18.210 -13.929 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.075 18.001 -11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.845 19.261 -11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.375 17.684 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.190 16.030 -13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.497 15.583 -12.748 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.043 15.862 -14.419 1.00 0.00 H new ATOM 729 N ARG A 47 15.635 20.007 -15.099 1.00 0.00 N ATOM 730 CA ARG A 47 14.411 20.752 -15.346 1.00 0.00 C ATOM 731 C ARG A 47 14.188 20.919 -16.850 1.00 0.00 C ATOM 732 O ARG A 47 13.103 20.631 -17.356 1.00 0.00 O ATOM 733 CB ARG A 47 14.463 22.132 -14.688 1.00 0.00 C ATOM 734 CG ARG A 47 14.466 22.013 -13.163 1.00 0.00 C ATOM 735 CD ARG A 47 14.172 23.363 -12.507 1.00 0.00 C ATOM 736 NE ARG A 47 15.388 24.204 -12.511 1.00 0.00 N ATOM 737 CZ ARG A 47 15.380 25.539 -12.391 1.00 0.00 C ATOM 738 NH1 ARG A 47 14.216 26.192 -12.257 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.532 26.222 -12.406 1.00 0.00 N ATOM 0 H ARG A 47 16.352 20.522 -14.588 1.00 0.00 H new ATOM 0 HA ARG A 47 13.585 20.188 -14.913 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.357 22.662 -15.017 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.606 22.724 -15.008 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.720 21.283 -12.850 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.434 21.644 -12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.368 23.869 -13.042 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.828 23.212 -11.484 1.00 0.00 H new ATOM 0 HE ARG A 47 16.290 23.739 -12.611 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.338 25.673 -12.246 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.209 27.208 -12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.417 25.726 -12.509 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.524 27.238 -12.315 1.00 0.00 H new ATOM 753 N GLU A 48 15.230 21.383 -17.524 1.00 0.00 N ATOM 754 CA GLU A 48 15.159 21.592 -18.960 1.00 0.00 C ATOM 755 C GLU A 48 14.303 20.507 -19.613 1.00 0.00 C ATOM 756 O GLU A 48 13.573 20.776 -20.566 1.00 0.00 O ATOM 757 CB GLU A 48 16.559 21.631 -19.577 1.00 0.00 C ATOM 758 CG GLU A 48 17.040 20.223 -19.934 1.00 0.00 C ATOM 759 CD GLU A 48 18.375 20.274 -20.682 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.622 21.311 -21.333 1.00 0.00 O ATOM 761 OE2 GLU A 48 19.117 19.274 -20.584 1.00 0.00 O ATOM 0 H GLU A 48 16.128 21.620 -17.102 1.00 0.00 H new ATOM 0 HA GLU A 48 14.688 22.558 -19.144 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.549 22.253 -20.472 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.256 22.091 -18.877 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.150 19.631 -19.025 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.292 19.724 -20.551 1.00 0.00 H new ATOM 768 N GLN A 49 14.419 19.302 -19.075 1.00 0.00 N ATOM 769 CA GLN A 49 13.665 18.174 -19.594 1.00 0.00 C ATOM 770 C GLN A 49 13.224 17.258 -18.450 1.00 0.00 C ATOM 771 O GLN A 49 13.359 16.038 -18.539 1.00 0.00 O ATOM 772 CB GLN A 49 14.478 17.400 -20.633 1.00 0.00 C ATOM 773 CG GLN A 49 15.810 16.928 -20.046 1.00 0.00 C ATOM 774 CD GLN A 49 16.780 16.509 -21.152 1.00 0.00 C ATOM 775 OE1 GLN A 49 16.428 15.394 -21.786 1.00 0.00 O flip ATOM 776 NE2 GLN A 49 17.781 17.155 -21.413 1.00 0.00 N flip ATOM 0 H GLN A 49 15.024 19.082 -18.284 1.00 0.00 H new ATOM 0 HA GLN A 49 12.774 18.557 -20.091 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.905 16.541 -20.982 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.663 18.033 -21.501 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.253 17.728 -19.453 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.637 16.089 -19.372 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.992 18.003 -20.887 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.407 16.848 -22.158 1.00 0.00 H new ATOM 785 N ALA A 50 12.707 17.881 -17.402 1.00 0.00 N ATOM 786 CA ALA A 50 12.246 17.138 -16.242 1.00 0.00 C ATOM 787 C ALA A 50 11.048 16.273 -16.638 1.00 0.00 C ATOM 788 O ALA A 50 11.211 15.108 -16.999 1.00 0.00 O ATOM 789 CB ALA A 50 11.913 18.113 -15.110 1.00 0.00 C ATOM 0 H ALA A 50 12.597 18.893 -17.332 1.00 0.00 H new ATOM 0 HA ALA A 50 13.028 16.471 -15.878 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.567 17.555 -14.240 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.804 18.682 -14.846 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.130 18.797 -15.437 1.00 0.00 H new ATOM 795 N GLY A 51 9.870 16.876 -16.559 1.00 0.00 N ATOM 796 CA GLY A 51 8.646 16.175 -16.904 1.00 0.00 C ATOM 797 C GLY A 51 8.817 15.379 -18.200 1.00 0.00 C ATOM 798 O GLY A 51 8.191 14.336 -18.378 1.00 0.00 O ATOM 0 H GLY A 51 9.738 17.843 -16.261 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.367 15.502 -16.093 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.832 16.891 -17.017 1.00 0.00 H new ATOM 802 N GLY A 52 9.668 15.902 -19.070 1.00 0.00 N ATOM 803 CA GLY A 52 9.930 15.253 -20.344 1.00 0.00 C ATOM 804 C GLY A 52 10.502 13.849 -20.136 1.00 0.00 C ATOM 805 O GLY A 52 10.030 13.103 -19.279 1.00 0.00 O ATOM 0 H GLY A 52 10.185 16.768 -18.918 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.008 15.192 -20.922 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.631 15.853 -20.925 1.00 0.00 H new ATOM 809 N ASP A 53 11.511 13.532 -20.935 1.00 0.00 N ATOM 810 CA ASP A 53 12.152 12.231 -20.849 1.00 0.00 C ATOM 811 C ASP A 53 13.670 12.413 -20.866 1.00 0.00 C ATOM 812 O ASP A 53 14.242 12.807 -21.881 1.00 0.00 O ATOM 813 CB ASP A 53 11.769 11.349 -22.039 1.00 0.00 C ATOM 814 CG ASP A 53 12.269 11.844 -23.398 1.00 0.00 C ATOM 815 OD1 ASP A 53 11.960 13.010 -23.725 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.946 11.045 -24.079 1.00 0.00 O ATOM 0 H ASP A 53 11.900 14.153 -21.644 1.00 0.00 H new ATOM 0 HA ASP A 53 11.824 11.754 -19.925 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.159 10.346 -21.869 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.683 11.267 -22.076 1.00 0.00 H new ATOM 821 N ALA A 54 14.283 12.120 -19.728 1.00 0.00 N ATOM 822 CA ALA A 54 15.724 12.247 -19.599 1.00 0.00 C ATOM 823 C ALA A 54 16.345 10.855 -19.469 1.00 0.00 C ATOM 824 O ALA A 54 17.445 10.708 -18.939 1.00 0.00 O ATOM 825 CB ALA A 54 16.053 13.145 -18.404 1.00 0.00 C ATOM 0 H ALA A 54 13.807 11.795 -18.887 1.00 0.00 H new ATOM 0 HA ALA A 54 16.148 12.716 -20.487 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.135 13.240 -18.307 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.614 14.131 -18.558 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.645 12.704 -17.494 1.00 0.00 H new ATOM 831 N THR A 55 15.613 9.867 -19.965 1.00 0.00 N ATOM 832 CA THR A 55 16.079 8.491 -19.911 1.00 0.00 C ATOM 833 C THR A 55 17.502 8.388 -20.461 1.00 0.00 C ATOM 834 O THR A 55 18.447 8.148 -19.710 1.00 0.00 O ATOM 835 CB THR A 55 15.072 7.622 -20.666 1.00 0.00 C ATOM 836 OG1 THR A 55 13.927 7.599 -19.817 1.00 0.00 O ATOM 837 CG2 THR A 55 15.506 6.157 -20.746 1.00 0.00 C ATOM 0 H THR A 55 14.702 9.992 -20.406 1.00 0.00 H new ATOM 0 HA THR A 55 16.135 8.132 -18.883 1.00 0.00 H new ATOM 0 HB THR A 55 14.937 8.016 -21.673 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.969 8.351 -19.191 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.756 5.585 -21.292 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.463 6.089 -21.264 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.609 5.753 -19.739 1.00 0.00 H new ATOM 845 N GLU A 56 17.613 8.575 -21.768 1.00 0.00 N ATOM 846 CA GLU A 56 18.906 8.506 -22.428 1.00 0.00 C ATOM 847 C GLU A 56 19.835 9.596 -21.888 1.00 0.00 C ATOM 848 O GLU A 56 21.030 9.363 -21.706 1.00 0.00 O ATOM 849 CB GLU A 56 18.754 8.618 -23.946 1.00 0.00 C ATOM 850 CG GLU A 56 17.905 7.471 -24.498 1.00 0.00 C ATOM 851 CD GLU A 56 17.357 7.812 -25.885 1.00 0.00 C ATOM 852 OE1 GLU A 56 18.147 7.710 -26.848 1.00 0.00 O ATOM 853 OE2 GLU A 56 16.160 8.167 -25.951 1.00 0.00 O ATOM 0 H GLU A 56 16.828 8.774 -22.388 1.00 0.00 H new ATOM 0 HA GLU A 56 19.351 7.535 -22.212 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.292 9.572 -24.199 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.738 8.606 -24.415 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.506 6.563 -24.554 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.079 7.265 -23.817 1.00 0.00 H new ATOM 860 N ASN A 57 19.253 10.761 -21.647 1.00 0.00 N ATOM 861 CA ASN A 57 20.013 11.886 -21.132 1.00 0.00 C ATOM 862 C ASN A 57 20.593 11.521 -19.765 1.00 0.00 C ATOM 863 O ASN A 57 21.552 12.142 -19.307 1.00 0.00 O ATOM 864 CB ASN A 57 19.124 13.118 -20.955 1.00 0.00 C ATOM 865 CG ASN A 57 19.114 13.974 -22.224 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.202 13.604 -23.119 1.00 0.00 O flip ATOM 867 ND2 ASN A 57 19.884 14.908 -22.380 1.00 0.00 N flip ATOM 0 H ASN A 57 18.262 10.950 -21.799 1.00 0.00 H new ATOM 0 HA ASN A 57 20.804 12.113 -21.847 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.108 12.806 -20.714 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.483 13.712 -20.114 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.560 15.139 -21.652 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.851 15.458 -23.238 1.00 0.00 H new ATOM 874 N PHE A 58 19.987 10.516 -19.150 1.00 0.00 N ATOM 875 CA PHE A 58 20.431 10.061 -17.843 1.00 0.00 C ATOM 876 C PHE A 58 21.394 8.879 -17.972 1.00 0.00 C ATOM 877 O PHE A 58 22.385 8.799 -17.247 1.00 0.00 O ATOM 878 CB PHE A 58 19.185 9.608 -17.080 1.00 0.00 C ATOM 879 CG PHE A 58 19.468 8.586 -15.976 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.708 7.287 -16.297 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.479 8.979 -14.674 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.971 6.340 -15.272 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.744 8.032 -13.650 1.00 0.00 C ATOM 884 CZ PHE A 58 19.983 6.732 -13.970 1.00 0.00 C ATOM 0 H PHE A 58 19.192 10.004 -19.533 1.00 0.00 H new ATOM 0 HA PHE A 58 20.954 10.866 -17.327 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.705 10.481 -16.638 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.476 9.177 -17.787 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.699 6.975 -17.331 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.286 10.011 -14.419 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.162 5.308 -15.527 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.756 8.344 -12.616 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.182 6.011 -13.191 1.00 0.00 H new ATOM 894 N GLU A 59 21.069 7.991 -18.900 1.00 0.00 N ATOM 895 CA GLU A 59 21.893 6.817 -19.133 1.00 0.00 C ATOM 896 C GLU A 59 23.140 7.195 -19.935 1.00 0.00 C ATOM 897 O GLU A 59 24.210 6.625 -19.730 1.00 0.00 O ATOM 898 CB GLU A 59 21.097 5.720 -19.843 1.00 0.00 C ATOM 899 CG GLU A 59 19.907 5.269 -18.992 1.00 0.00 C ATOM 900 CD GLU A 59 19.329 3.952 -19.511 1.00 0.00 C ATOM 901 OE1 GLU A 59 20.146 3.066 -19.844 1.00 0.00 O ATOM 902 OE2 GLU A 59 18.083 3.860 -19.565 1.00 0.00 O ATOM 0 H GLU A 59 20.247 8.061 -19.499 1.00 0.00 H new ATOM 0 HA GLU A 59 22.211 6.423 -18.168 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.742 6.088 -20.805 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.746 4.869 -20.047 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.222 5.149 -17.955 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.135 6.038 -19.003 1.00 0.00 H new ATOM 909 N ASP A 60 22.960 8.153 -20.832 1.00 0.00 N ATOM 910 CA ASP A 60 24.057 8.614 -21.667 1.00 0.00 C ATOM 911 C ASP A 60 25.184 9.142 -20.775 1.00 0.00 C ATOM 912 O ASP A 60 26.357 8.876 -21.028 1.00 0.00 O ATOM 913 CB ASP A 60 23.610 9.751 -22.587 1.00 0.00 C ATOM 914 CG ASP A 60 24.636 10.171 -23.641 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.627 10.818 -23.242 1.00 0.00 O ATOM 916 OD2 ASP A 60 24.405 9.834 -24.822 1.00 0.00 O ATOM 0 H ASP A 60 22.070 8.623 -20.999 1.00 0.00 H new ATOM 0 HA ASP A 60 24.396 7.773 -22.272 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.693 9.449 -23.094 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.365 10.619 -21.975 1.00 0.00 H new ATOM 921 N VAL A 61 24.786 9.879 -19.749 1.00 0.00 N ATOM 922 CA VAL A 61 25.746 10.447 -18.818 1.00 0.00 C ATOM 923 C VAL A 61 26.347 9.327 -17.965 1.00 0.00 C ATOM 924 O VAL A 61 27.381 9.515 -17.327 1.00 0.00 O ATOM 925 CB VAL A 61 25.082 11.543 -17.983 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.318 12.524 -18.875 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.163 10.941 -16.919 1.00 0.00 C ATOM 0 H VAL A 61 23.811 10.096 -19.542 1.00 0.00 H new ATOM 0 HA VAL A 61 26.566 10.921 -19.358 1.00 0.00 H new ATOM 0 HB VAL A 61 25.869 12.097 -17.471 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.855 13.293 -18.257 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.008 12.990 -19.578 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.545 11.988 -19.427 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.704 11.742 -16.340 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.385 10.351 -17.402 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.745 10.301 -16.256 1.00 0.00 H new ATOM 937 N GLY A 62 25.671 8.187 -17.982 1.00 0.00 N ATOM 938 CA GLY A 62 26.125 7.038 -17.218 1.00 0.00 C ATOM 939 C GLY A 62 26.240 7.378 -15.732 1.00 0.00 C ATOM 940 O GLY A 62 27.315 7.734 -15.253 1.00 0.00 O ATOM 0 H GLY A 62 24.813 8.035 -18.512 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.429 6.210 -17.352 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.092 6.706 -17.595 1.00 0.00 H new ATOM 944 N HIS A 63 25.115 7.256 -15.041 1.00 0.00 N ATOM 945 CA HIS A 63 25.076 7.546 -13.617 1.00 0.00 C ATOM 946 C HIS A 63 25.849 6.470 -12.853 1.00 0.00 C ATOM 947 O HIS A 63 25.763 5.287 -13.181 1.00 0.00 O ATOM 948 CB HIS A 63 23.632 7.696 -13.134 1.00 0.00 C ATOM 949 CG HIS A 63 23.007 9.028 -13.471 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.731 9.421 -14.769 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.605 10.054 -12.665 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.190 10.630 -14.734 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.113 11.021 -13.430 1.00 0.00 N ATOM 0 H HIS A 63 24.224 6.960 -15.441 1.00 0.00 H new ATOM 0 HA HIS A 63 25.564 8.501 -13.422 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.028 6.902 -13.573 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.605 7.557 -12.053 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.913 8.873 -15.610 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.675 10.075 -11.588 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.867 11.205 -15.589 1.00 0.00 H new ATOM 961 N SER A 64 26.586 6.918 -11.847 1.00 0.00 N ATOM 962 CA SER A 64 27.373 6.008 -11.033 1.00 0.00 C ATOM 963 C SER A 64 26.485 5.352 -9.974 1.00 0.00 C ATOM 964 O SER A 64 25.339 5.754 -9.786 1.00 0.00 O ATOM 965 CB SER A 64 28.544 6.737 -10.369 1.00 0.00 C ATOM 966 OG SER A 64 29.718 6.710 -11.177 1.00 0.00 O ATOM 0 H SER A 64 26.654 7.899 -11.577 1.00 0.00 H new ATOM 0 HA SER A 64 27.783 5.234 -11.682 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.263 7.772 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.757 6.277 -9.404 1.00 0.00 H new ATOM 0 HG SER A 64 30.441 7.187 -10.719 1.00 0.00 H new ATOM 972 N THR A 65 27.050 4.355 -9.310 1.00 0.00 N ATOM 973 CA THR A 65 26.325 3.640 -8.274 1.00 0.00 C ATOM 974 C THR A 65 25.715 4.623 -7.274 1.00 0.00 C ATOM 975 O THR A 65 24.547 4.499 -6.909 1.00 0.00 O ATOM 976 CB THR A 65 27.284 2.635 -7.631 1.00 0.00 C ATOM 977 OG1 THR A 65 27.066 1.431 -8.360 1.00 0.00 O ATOM 978 CG2 THR A 65 26.886 2.281 -6.198 1.00 0.00 C ATOM 0 H THR A 65 28.002 4.025 -9.469 1.00 0.00 H new ATOM 0 HA THR A 65 25.484 3.086 -8.692 1.00 0.00 H new ATOM 0 HB THR A 65 28.295 3.043 -7.636 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.650 0.726 -8.009 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.599 1.565 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.887 3.183 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.888 1.842 -6.195 1.00 0.00 H new ATOM 986 N ASP A 66 26.534 5.579 -6.858 1.00 0.00 N ATOM 987 CA ASP A 66 26.089 6.583 -5.907 1.00 0.00 C ATOM 988 C ASP A 66 24.668 7.022 -6.262 1.00 0.00 C ATOM 989 O ASP A 66 23.830 7.200 -5.379 1.00 0.00 O ATOM 990 CB ASP A 66 26.991 7.819 -5.949 1.00 0.00 C ATOM 991 CG ASP A 66 28.253 7.729 -5.090 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.188 7.026 -4.059 1.00 0.00 O ATOM 993 OD2 ASP A 66 29.255 8.365 -5.483 1.00 0.00 O ATOM 0 H ASP A 66 27.502 5.679 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 66 26.126 6.143 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.286 8.000 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.411 8.684 -5.627 1.00 0.00 H new ATOM 998 N ALA A 67 24.439 7.185 -7.557 1.00 0.00 N ATOM 999 CA ALA A 67 23.133 7.600 -8.040 1.00 0.00 C ATOM 1000 C ALA A 67 22.131 6.463 -7.826 1.00 0.00 C ATOM 1001 O ALA A 67 21.024 6.690 -7.337 1.00 0.00 O ATOM 1002 CB ALA A 67 23.240 8.016 -9.508 1.00 0.00 C ATOM 0 H ALA A 67 25.136 7.037 -8.287 1.00 0.00 H new ATOM 0 HA ALA A 67 22.774 8.465 -7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.260 8.327 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.942 8.845 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.595 7.172 -10.100 1.00 0.00 H new ATOM 1008 N ARG A 68 22.553 5.266 -8.205 1.00 0.00 N ATOM 1009 CA ARG A 68 21.706 4.094 -8.061 1.00 0.00 C ATOM 1010 C ARG A 68 20.933 4.156 -6.742 1.00 0.00 C ATOM 1011 O ARG A 68 19.730 3.901 -6.712 1.00 0.00 O ATOM 1012 CB ARG A 68 22.534 2.808 -8.100 1.00 0.00 C ATOM 1013 CG ARG A 68 21.789 1.698 -8.844 1.00 0.00 C ATOM 1014 CD ARG A 68 22.769 0.730 -9.510 1.00 0.00 C ATOM 1015 NE ARG A 68 22.088 -0.547 -9.821 1.00 0.00 N ATOM 1016 CZ ARG A 68 21.315 -0.743 -10.898 1.00 0.00 C ATOM 1017 NH1 ARG A 68 21.122 0.252 -11.773 1.00 0.00 N ATOM 1018 NH2 ARG A 68 20.737 -1.935 -11.100 1.00 0.00 N ATOM 0 H ARG A 68 23.470 5.082 -8.612 1.00 0.00 H new ATOM 0 HA ARG A 68 21.005 4.087 -8.896 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.489 3.001 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.756 2.483 -7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.151 1.153 -8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.136 2.136 -9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 68 23.165 1.172 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 68 23.618 0.548 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 68 22.215 -1.326 -9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.563 1.159 -11.620 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.534 0.103 -12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.885 -2.693 -10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.149 -2.084 -11.920 1.00 0.00 H new ATOM 1032 N GLU A 69 21.656 4.494 -5.685 1.00 0.00 N ATOM 1033 CA GLU A 69 21.054 4.592 -4.366 1.00 0.00 C ATOM 1034 C GLU A 69 20.060 5.755 -4.322 1.00 0.00 C ATOM 1035 O GLU A 69 18.895 5.567 -3.974 1.00 0.00 O ATOM 1036 CB GLU A 69 22.125 4.746 -3.284 1.00 0.00 C ATOM 1037 CG GLU A 69 21.739 3.977 -2.019 1.00 0.00 C ATOM 1038 CD GLU A 69 22.206 2.522 -2.098 1.00 0.00 C ATOM 1039 OE1 GLU A 69 23.417 2.302 -1.880 1.00 0.00 O ATOM 1040 OE2 GLU A 69 21.342 1.662 -2.373 1.00 0.00 O ATOM 0 H GLU A 69 22.654 4.704 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 69 20.512 3.668 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.081 4.381 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.258 5.801 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.182 4.458 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.658 4.009 -1.885 1.00 0.00 H new ATOM 1047 N LEU A 70 20.556 6.930 -4.681 1.00 0.00 N ATOM 1048 CA LEU A 70 19.726 8.122 -4.686 1.00 0.00 C ATOM 1049 C LEU A 70 18.492 7.875 -5.558 1.00 0.00 C ATOM 1050 O LEU A 70 17.372 7.828 -5.053 1.00 0.00 O ATOM 1051 CB LEU A 70 20.544 9.343 -5.112 1.00 0.00 C ATOM 1052 CG LEU A 70 21.301 10.065 -3.995 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.733 9.084 -2.903 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.486 10.855 -4.558 1.00 0.00 C ATOM 0 H LEU A 70 21.522 7.082 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 70 19.369 8.341 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.264 9.028 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.873 10.057 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 70 20.625 10.784 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.269 9.623 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.852 8.605 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.386 8.325 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.007 11.359 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.172 10.173 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.124 11.596 -5.270 1.00 0.00 H new ATOM 1066 N SER A 71 18.740 7.725 -6.850 1.00 0.00 N ATOM 1067 CA SER A 71 17.663 7.484 -7.796 1.00 0.00 C ATOM 1068 C SER A 71 16.557 6.662 -7.131 1.00 0.00 C ATOM 1069 O SER A 71 15.407 7.097 -7.071 1.00 0.00 O ATOM 1070 CB SER A 71 18.178 6.767 -9.045 1.00 0.00 C ATOM 1071 OG SER A 71 19.094 7.571 -9.783 1.00 0.00 O ATOM 0 H SER A 71 19.671 7.766 -7.265 1.00 0.00 H new ATOM 0 HA SER A 71 17.256 8.447 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.666 5.837 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.335 6.499 -9.683 1.00 0.00 H new ATOM 0 HG SER A 71 19.401 7.077 -10.572 1.00 0.00 H new ATOM 1077 N LYS A 72 16.943 5.491 -6.648 1.00 0.00 N ATOM 1078 CA LYS A 72 15.998 4.605 -5.989 1.00 0.00 C ATOM 1079 C LYS A 72 15.370 5.331 -4.798 1.00 0.00 C ATOM 1080 O LYS A 72 14.149 5.351 -4.652 1.00 0.00 O ATOM 1081 CB LYS A 72 16.672 3.282 -5.617 1.00 0.00 C ATOM 1082 CG LYS A 72 16.316 2.185 -6.622 1.00 0.00 C ATOM 1083 CD LYS A 72 15.842 0.919 -5.906 1.00 0.00 C ATOM 1084 CE LYS A 72 16.531 -0.323 -6.474 1.00 0.00 C ATOM 1085 NZ LYS A 72 17.980 -0.294 -6.175 1.00 0.00 N ATOM 0 H LYS A 72 17.897 5.135 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 72 15.186 4.342 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.753 3.416 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.361 2.979 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.535 2.541 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.185 1.955 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.052 1.000 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.762 0.820 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.084 -1.221 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.377 -0.371 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.353 -1.265 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.474 0.262 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 18.134 0.142 -5.243 1.00 0.00 H new ATOM 1099 N THR A 73 16.234 5.909 -3.976 1.00 0.00 N ATOM 1100 CA THR A 73 15.778 6.634 -2.802 1.00 0.00 C ATOM 1101 C THR A 73 14.823 7.758 -3.206 1.00 0.00 C ATOM 1102 O THR A 73 13.913 8.105 -2.454 1.00 0.00 O ATOM 1103 CB THR A 73 17.012 7.129 -2.044 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.103 6.257 -0.921 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.805 8.513 -1.426 1.00 0.00 C ATOM 0 H THR A 73 17.246 5.890 -4.100 1.00 0.00 H new ATOM 0 HA THR A 73 15.206 5.988 -2.136 1.00 0.00 H new ATOM 0 HB THR A 73 17.865 7.159 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.878 6.506 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.711 8.816 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.584 9.234 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.973 8.477 -0.723 1.00 0.00 H new ATOM 1113 N TYR A 74 15.062 8.296 -4.393 1.00 0.00 N ATOM 1114 CA TYR A 74 14.233 9.373 -4.907 1.00 0.00 C ATOM 1115 C TYR A 74 13.203 8.845 -5.907 1.00 0.00 C ATOM 1116 O TYR A 74 12.912 9.498 -6.907 1.00 0.00 O ATOM 1117 CB TYR A 74 15.184 10.329 -5.630 1.00 0.00 C ATOM 1118 CG TYR A 74 15.945 11.274 -4.698 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.115 10.856 -4.096 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.462 12.544 -4.458 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.832 11.745 -3.219 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.178 13.433 -3.580 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.328 12.990 -3.004 1.00 0.00 C ATOM 1124 OH TYR A 74 18.004 13.829 -2.175 1.00 0.00 O ATOM 0 H TYR A 74 15.818 8.006 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 74 13.689 9.857 -4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.903 9.745 -6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.613 10.922 -6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.493 9.862 -4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.547 12.871 -4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.749 11.430 -2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.810 14.429 -3.383 1.00 0.00 H new ATOM 0 HH TYR A 74 17.528 14.684 -2.116 1.00 0.00 H new ATOM 1134 N ILE A 75 12.680 7.667 -5.601 1.00 0.00 N ATOM 1135 CA ILE A 75 11.689 7.042 -6.460 1.00 0.00 C ATOM 1136 C ILE A 75 10.340 7.010 -5.738 1.00 0.00 C ATOM 1137 O ILE A 75 10.282 6.751 -4.536 1.00 0.00 O ATOM 1138 CB ILE A 75 12.170 5.666 -6.923 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.885 5.456 -8.411 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.567 4.555 -6.062 1.00 0.00 C ATOM 1141 CD1 ILE A 75 10.455 4.956 -8.631 1.00 0.00 C ATOM 0 H ILE A 75 12.924 7.129 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 75 11.551 7.628 -7.369 1.00 0.00 H new ATOM 0 HB ILE A 75 13.251 5.623 -6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 75 12.033 6.392 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 75 12.593 4.736 -8.822 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.926 3.587 -6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.865 4.697 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.480 4.587 -6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.279 4.815 -9.697 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.317 4.007 -8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.749 5.689 -8.240 1.00 0.00 H new ATOM 1153 N ILE A 76 9.290 7.278 -6.499 1.00 0.00 N ATOM 1154 CA ILE A 76 7.946 7.283 -5.946 1.00 0.00 C ATOM 1155 C ILE A 76 7.075 6.294 -6.724 1.00 0.00 C ATOM 1156 O ILE A 76 6.237 5.608 -6.141 1.00 0.00 O ATOM 1157 CB ILE A 76 7.385 8.706 -5.916 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.832 9.106 -7.285 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.433 9.698 -5.408 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.944 9.640 -8.190 1.00 0.00 C ATOM 0 H ILE A 76 9.342 7.493 -7.495 1.00 0.00 H new ATOM 0 HA ILE A 76 7.959 6.948 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 76 6.552 8.730 -5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.357 8.245 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.061 9.867 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.008 10.702 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.737 9.421 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.301 9.679 -6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.524 9.917 -9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.400 10.515 -7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.701 8.868 -8.331 1.00 0.00 H new ATOM 1172 N GLY A 77 7.304 6.253 -8.028 1.00 0.00 N ATOM 1173 CA GLY A 77 6.550 5.360 -8.892 1.00 0.00 C ATOM 1174 C GLY A 77 6.905 5.591 -10.363 1.00 0.00 C ATOM 1175 O GLY A 77 7.958 6.148 -10.671 1.00 0.00 O ATOM 0 H GLY A 77 8.001 6.823 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.759 4.325 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.482 5.519 -8.743 1.00 0.00 H new ATOM 1179 N GLU A 78 6.006 5.152 -11.231 1.00 0.00 N ATOM 1180 CA GLU A 78 6.212 5.303 -12.662 1.00 0.00 C ATOM 1181 C GLU A 78 5.051 6.083 -13.285 1.00 0.00 C ATOM 1182 O GLU A 78 4.039 6.326 -12.629 1.00 0.00 O ATOM 1183 CB GLU A 78 6.382 3.941 -13.339 1.00 0.00 C ATOM 1184 CG GLU A 78 5.057 3.177 -13.375 1.00 0.00 C ATOM 1185 CD GLU A 78 4.814 2.568 -14.757 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.292 1.433 -14.969 1.00 0.00 O ATOM 1187 OE2 GLU A 78 4.156 3.252 -15.571 1.00 0.00 O ATOM 0 H GLU A 78 5.133 4.692 -10.972 1.00 0.00 H new ATOM 0 HA GLU A 78 7.131 5.867 -12.820 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.754 4.080 -14.354 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.129 3.355 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.067 2.388 -12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.238 3.850 -13.121 1.00 0.00 H new ATOM 1194 N LEU A 79 5.237 6.453 -14.543 1.00 0.00 N ATOM 1195 CA LEU A 79 4.219 7.200 -15.262 1.00 0.00 C ATOM 1196 C LEU A 79 3.530 6.277 -16.268 1.00 0.00 C ATOM 1197 O LEU A 79 4.138 5.330 -16.764 1.00 0.00 O ATOM 1198 CB LEU A 79 4.822 8.457 -15.892 1.00 0.00 C ATOM 1199 CG LEU A 79 5.035 8.411 -17.406 1.00 0.00 C ATOM 1200 CD1 LEU A 79 5.639 7.072 -17.834 1.00 0.00 C ATOM 1201 CD2 LEU A 79 3.736 8.719 -18.153 1.00 0.00 C ATOM 0 H LEU A 79 6.078 6.249 -15.083 1.00 0.00 H new ATOM 0 HA LEU A 79 3.450 7.554 -14.576 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.173 9.302 -15.662 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.782 8.653 -15.416 1.00 0.00 H new ATOM 0 HG LEU A 79 5.751 9.188 -17.674 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.780 7.065 -18.915 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.601 6.933 -17.341 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.966 6.262 -17.551 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.916 8.680 -19.227 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.979 7.982 -17.885 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.387 9.715 -17.880 1.00 0.00 H new ATOM 1213 N HIS A 80 2.270 6.585 -16.539 1.00 0.00 N ATOM 1214 CA HIS A 80 1.492 5.795 -17.478 1.00 0.00 C ATOM 1215 C HIS A 80 2.383 5.356 -18.642 1.00 0.00 C ATOM 1216 O HIS A 80 2.862 6.189 -19.410 1.00 0.00 O ATOM 1217 CB HIS A 80 0.252 6.563 -17.937 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.001 5.723 -18.008 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.064 6.028 -18.841 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.348 4.583 -17.343 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.003 5.109 -18.676 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.558 4.215 -17.746 1.00 0.00 N ATOM 0 H HIS A 80 1.769 7.371 -16.125 1.00 0.00 H new ATOM 0 HA HIS A 80 1.128 4.893 -16.986 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.080 7.396 -17.255 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.446 6.991 -18.920 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.115 6.826 -19.475 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.741 4.068 -16.613 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.954 5.073 -19.187 1.00 0.00 H new ATOM 1230 N PRO A 81 2.583 4.015 -18.738 1.00 0.00 N ATOM 1231 CA PRO A 81 3.408 3.455 -19.796 1.00 0.00 C ATOM 1232 C PRO A 81 2.669 3.477 -21.136 1.00 0.00 C ATOM 1233 O PRO A 81 3.289 3.351 -22.191 1.00 0.00 O ATOM 1234 CB PRO A 81 3.748 2.049 -19.328 1.00 0.00 C ATOM 1235 CG PRO A 81 2.727 1.710 -18.253 1.00 0.00 C ATOM 1236 CD PRO A 81 2.031 2.998 -17.847 1.00 0.00 C ATOM 0 HA PRO A 81 4.316 4.032 -19.972 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.696 1.339 -20.154 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.762 2.004 -18.932 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.003 0.987 -18.629 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.216 1.253 -17.393 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.950 2.917 -17.961 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.224 3.240 -16.802 1.00 0.00 H new ATOM 1244 N ASP A 82 1.357 3.637 -21.050 1.00 0.00 N ATOM 1245 CA ASP A 82 0.529 3.676 -22.243 1.00 0.00 C ATOM 1246 C ASP A 82 0.613 5.068 -22.871 1.00 0.00 C ATOM 1247 O ASP A 82 0.573 5.205 -24.093 1.00 0.00 O ATOM 1248 CB ASP A 82 -0.937 3.397 -21.905 1.00 0.00 C ATOM 1249 CG ASP A 82 -1.687 2.547 -22.932 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -1.393 1.333 -22.987 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -2.538 3.130 -23.639 1.00 0.00 O ATOM 0 H ASP A 82 0.847 3.741 -20.173 1.00 0.00 H new ATOM 0 HA ASP A 82 0.892 2.912 -22.931 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.982 2.896 -20.938 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.456 4.349 -21.795 1.00 0.00 H new ATOM 1256 N ASP A 83 0.728 6.066 -22.007 1.00 0.00 N ATOM 1257 CA ASP A 83 0.817 7.443 -22.463 1.00 0.00 C ATOM 1258 C ASP A 83 2.280 7.889 -22.441 1.00 0.00 C ATOM 1259 O ASP A 83 2.570 9.084 -22.449 1.00 0.00 O ATOM 1260 CB ASP A 83 0.025 8.379 -21.547 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.490 8.156 -21.550 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -2.071 8.227 -22.655 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -2.032 7.922 -20.449 1.00 0.00 O ATOM 0 H ASP A 83 0.762 5.949 -20.994 1.00 0.00 H new ATOM 0 HA ASP A 83 0.406 7.491 -23.471 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.393 8.262 -20.527 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.226 9.409 -21.843 1.00 0.00 H new ATOM 1268 N ARG A 84 3.165 6.903 -22.412 1.00 0.00 N ATOM 1269 CA ARG A 84 4.592 7.178 -22.389 1.00 0.00 C ATOM 1270 C ARG A 84 5.074 7.600 -23.779 1.00 0.00 C ATOM 1271 O ARG A 84 6.175 8.130 -23.922 1.00 0.00 O ATOM 1272 CB ARG A 84 5.383 5.950 -21.934 1.00 0.00 C ATOM 1273 CG ARG A 84 5.508 4.929 -23.066 1.00 0.00 C ATOM 1274 CD ARG A 84 6.211 3.658 -22.582 1.00 0.00 C ATOM 1275 NE ARG A 84 6.855 2.970 -23.723 1.00 0.00 N ATOM 1276 CZ ARG A 84 7.294 1.706 -23.687 1.00 0.00 C ATOM 1277 NH1 ARG A 84 7.161 0.981 -22.567 1.00 0.00 N ATOM 1278 NH2 ARG A 84 7.866 1.164 -24.771 1.00 0.00 N ATOM 0 H ARG A 84 2.921 5.913 -22.404 1.00 0.00 H new ATOM 0 HA ARG A 84 4.762 7.988 -21.680 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.376 6.255 -21.603 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.888 5.491 -21.078 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.518 4.679 -23.446 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.067 5.365 -23.894 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.958 3.910 -21.830 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.491 2.993 -22.105 1.00 0.00 H new ATOM 0 HE ARG A 84 6.972 3.492 -24.592 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.725 1.393 -21.742 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.496 0.018 -22.540 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.967 1.715 -25.624 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.200 0.201 -24.743 1.00 0.00 H new ATOM 1292 N SER A 85 4.226 7.350 -24.765 1.00 0.00 N ATOM 1293 CA SER A 85 4.552 7.698 -26.138 1.00 0.00 C ATOM 1294 C SER A 85 3.677 8.862 -26.605 1.00 0.00 C ATOM 1295 O SER A 85 3.499 9.068 -27.804 1.00 0.00 O ATOM 1296 CB SER A 85 4.374 6.495 -27.067 1.00 0.00 C ATOM 1297 OG SER A 85 4.645 6.826 -28.427 1.00 0.00 O ATOM 0 H SER A 85 3.314 6.911 -24.641 1.00 0.00 H new ATOM 0 HA SER A 85 5.598 8.001 -26.175 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.038 5.691 -26.750 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.355 6.119 -26.982 1.00 0.00 H new ATOM 0 HG SER A 85 4.166 7.647 -28.665 1.00 0.00 H new ATOM 1303 N LYS A 86 3.152 9.593 -25.632 1.00 0.00 N ATOM 1304 CA LYS A 86 2.299 10.732 -25.928 1.00 0.00 C ATOM 1305 C LYS A 86 3.118 12.019 -25.816 1.00 0.00 C ATOM 1306 O LYS A 86 2.583 13.070 -25.465 1.00 0.00 O ATOM 1307 CB LYS A 86 1.055 10.715 -25.039 1.00 0.00 C ATOM 1308 CG LYS A 86 -0.176 10.262 -25.827 1.00 0.00 C ATOM 1309 CD LYS A 86 -1.110 11.441 -26.111 1.00 0.00 C ATOM 1310 CE LYS A 86 -0.565 12.309 -27.249 1.00 0.00 C ATOM 1311 NZ LYS A 86 0.374 13.324 -26.721 1.00 0.00 N ATOM 0 H LYS A 86 3.301 9.419 -24.638 1.00 0.00 H new ATOM 0 HA LYS A 86 1.931 10.676 -26.952 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.217 10.046 -24.194 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.883 11.710 -24.629 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.137 9.807 -26.767 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.711 9.497 -25.264 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.101 11.070 -26.374 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.224 12.045 -25.211 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.058 11.682 -27.982 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.389 12.801 -27.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.014 13.633 -27.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.162 14.142 -26.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.930 12.912 -25.945 1.00 0.00 H new ATOM 1325 N ILE A 87 4.402 11.896 -26.120 1.00 0.00 N ATOM 1326 CA ILE A 87 5.299 13.036 -26.057 1.00 0.00 C ATOM 1327 C ILE A 87 5.434 13.652 -27.451 1.00 0.00 C ATOM 1328 O ILE A 87 5.321 14.865 -27.612 1.00 0.00 O ATOM 1329 CB ILE A 87 6.636 12.633 -25.432 1.00 0.00 C ATOM 1330 CG1 ILE A 87 6.531 12.568 -23.907 1.00 0.00 C ATOM 1331 CG2 ILE A 87 7.759 13.564 -25.891 1.00 0.00 C ATOM 1332 CD1 ILE A 87 6.257 11.139 -23.436 1.00 0.00 C ATOM 0 H ILE A 87 4.842 11.023 -26.411 1.00 0.00 H new ATOM 0 HA ILE A 87 4.888 13.807 -25.405 1.00 0.00 H new ATOM 0 HB ILE A 87 6.887 11.631 -25.780 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.456 12.931 -23.460 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.732 13.226 -23.566 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.698 13.255 -25.432 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.852 13.515 -26.976 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.528 14.587 -25.593 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.187 11.121 -22.348 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.319 10.788 -23.866 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.070 10.488 -23.758 1.00 0.00 H new ATOM 1344 N ALA A 88 5.672 12.785 -28.425 1.00 0.00 N ATOM 1345 CA ALA A 88 5.823 13.228 -29.800 1.00 0.00 C ATOM 1346 C ALA A 88 4.753 14.276 -30.114 1.00 0.00 C ATOM 1347 O ALA A 88 3.587 13.939 -30.309 1.00 0.00 O ATOM 1348 CB ALA A 88 5.748 12.020 -30.737 1.00 0.00 C ATOM 0 H ALA A 88 5.764 11.778 -28.289 1.00 0.00 H new ATOM 0 HA ALA A 88 6.796 13.696 -29.948 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.861 12.352 -31.769 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.546 11.319 -30.492 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.783 11.527 -30.618 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.549 12.806 -12.655 1.00 0.00 FE HETATM 1356 CHA HEM A 95 25.900 12.975 -12.849 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.795 11.489 -9.533 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.180 12.667 -12.466 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.285 14.149 -15.781 1.00 0.00 C HETATM 1360 NA HEM A 95 24.070 12.324 -11.452 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.400 12.488 -11.722 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.168 12.012 -10.576 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.289 11.603 -9.646 1.00 0.00 C HETATM 1364 C4A HEM A 95 23.978 11.809 -10.190 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.652 10.995 -8.300 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.610 11.390 -10.587 1.00 0.00 C HETATM 1367 CBA HEM A 95 28.873 12.211 -10.234 1.00 0.00 C HETATM 1368 CGA HEM A 95 28.914 12.648 -8.777 1.00 0.00 C HETATM 1369 O1A HEM A 95 30.003 13.044 -8.292 1.00 0.00 O HETATM 1370 O2A HEM A 95 27.855 12.618 -8.100 1.00 0.00 O HETATM 1371 NB HEM A 95 21.239 12.193 -11.286 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.536 11.676 -10.062 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.314 11.353 -9.341 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.299 11.678 -10.156 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.873 12.231 -11.384 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.172 10.742 -7.958 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.831 11.512 -9.851 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.147 10.520 -9.651 1.00 0.00 C HETATM 1379 NC HEM A 95 21.024 13.321 -13.874 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.693 13.172 -13.612 1.00 0.00 C HETATM 1381 C2C HEM A 95 18.911 13.625 -14.739 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.814 14.076 -15.687 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.119 13.854 -15.145 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.426 13.671 -14.897 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.428 14.646 -17.013 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.518 15.192 -17.303 1.00 0.00 C HETATM 1387 ND HEM A 95 23.858 13.444 -14.037 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.554 13.967 -15.278 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.807 14.298 -15.985 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.780 13.962 -15.155 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.204 13.435 -13.940 1.00 0.00 C HETATM 1392 CMD HEM A 95 24.907 14.898 -17.355 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.362 14.275 -15.170 1.00 0.00 C HETATM 1394 CBD HEM A 95 28.143 13.054 -15.715 1.00 0.00 C HETATM 1395 CGD HEM A 95 28.702 12.194 -14.582 1.00 0.00 C HETATM 1396 O1D HEM A 95 29.258 12.622 -13.572 1.00 0.00 O HETATM 1397 O2D HEM A 95 28.764 10.938 -14.999 1.00 0.00 O HETATM 0 HMA1 HEM A 95 26.618 10.496 -8.375 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 24.891 10.270 -8.011 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.707 11.782 -7.548 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.250 11.096 -7.497 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 21.022 11.035 -7.342 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.142 9.656 -8.042 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 16.973 12.870 -14.313 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.168 13.544 -15.948 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.052 14.633 -14.545 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 24.052 14.583 -17.953 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 25.827 14.562 -17.833 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 24.915 15.985 -17.276 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.082 10.625 -9.444 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.602 9.530 -9.680 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.396 15.543 -18.328 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.738 15.382 -16.565 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 28.916 13.093 -10.873 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 29.759 11.615 -10.453 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 27.769 10.989 -11.588 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 27.589 10.541 -9.903 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 28.960 13.397 -16.349 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.486 12.450 -16.341 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 27.703 14.514 -14.162 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 27.561 15.149 -15.789 1.00 0.00 H new HETATM 0 HHA HEM A 95 26.977 13.015 -12.917 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.867 11.066 -8.542 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.103 12.604 -12.406 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.208 14.565 -16.775 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.279 12.450 -9.800 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.156 14.499 -17.811 1.00 0.00 H new