USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 19 HIS HE2 : A 19 HIS NE2 : A 90 HEMFE :(H bumps) USER MOD Set 1.1: A 8 LYS NZ :NH3+ -150:sc= -0.505! (180deg=-2.62!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.641 USER MOD Set 1.3: A 83 GLN :FLIP amide:sc= 1.12 F(o=-0.063,f=1.3) USER MOD Set 2.1: A 53 GLN : amide:sc= 0.807 K(o=3,f=-9.6!) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -179:sc= 2.19 (180deg=0.969) USER MOD Set 3.1: A 31 THR OG1 : rot 171:sc= 0.0352 USER MOD Set 3.2: A 33 GLN : amide:sc= 1.08 K(o=2.8,f=1.5) USER MOD Set 3.3: A 87 ASN : amide:sc= 1.71 K(o=2.8,f=1.5) USER MOD Set 4.1: A 24 ASN : amide:sc= 2.52 K(o=1.8,f=-13!) USER MOD Set 4.2: A 90 HEM CMD :methyl 150:sc= -0.707 (180deg=-0.707) USER MOD Single : A 1 GLU N :NH3+ -118:sc= 0.744 (180deg=0.205!) USER MOD Single : A 14 ASN : amide:sc= 1.05 K(o=1.1,f=0.22) USER MOD Single : A 25 ASN : amide:sc= 0.477 K(o=0.48,f=-0.028) USER MOD Single : A 30 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-5.3!) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0.695 (180deg=-0.721!) USER MOD Single : A 39 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.051) USER MOD Single : A 46 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.07 K(o=1.1,f=-0.27) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.246 (180deg=-0.246) USER MOD Single : A 81 TYR OH : rot 167:sc= 1.16 USER MOD Single : A 88 LYS NZ :NH3+ 145:sc= 1.05 (180deg=-3.8!) USER MOD Single : A 90 HEM CMA :methyl 150:sc= -0.26 (180deg=-0.26) USER MOD Single : A 90 HEM CMB :methyl 150:sc= -1.26 (180deg=-1.26) USER MOD Single : A 90 HEM CMC :methyl 150:sc= -0.346 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.495 -15.538 -4.808 1.00 0.00 N ATOM 2 CA GLU A 1 4.115 -15.985 -4.586 1.00 0.00 C ATOM 3 C GLU A 1 3.353 -14.977 -3.717 1.00 0.00 C ATOM 4 O GLU A 1 2.704 -15.372 -2.752 1.00 0.00 O ATOM 5 CB GLU A 1 4.071 -17.406 -3.988 1.00 0.00 C ATOM 6 CG GLU A 1 4.627 -18.496 -4.922 1.00 0.00 C ATOM 7 CD GLU A 1 6.140 -18.650 -4.850 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.811 -17.707 -5.321 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.589 -19.677 -4.303 1.00 0.00 O ATOM 0 H1 GLU A 1 5.651 -15.385 -5.825 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.659 -14.648 -4.295 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.155 -16.264 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 1 3.615 -16.034 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.639 -17.415 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.039 -17.651 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.161 -19.449 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.343 -18.262 -5.948 1.00 0.00 H new ATOM 10 N ALA A 2 3.440 -13.679 -4.035 1.00 0.00 N ATOM 11 CA ALA A 2 2.830 -12.604 -3.258 1.00 0.00 C ATOM 12 C ALA A 2 3.305 -12.670 -1.805 1.00 0.00 C ATOM 13 O ALA A 2 2.510 -12.575 -0.872 1.00 0.00 O ATOM 14 CB ALA A 2 1.301 -12.649 -3.377 1.00 0.00 C ATOM 0 H ALA A 2 3.946 -13.346 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 2 3.149 -11.643 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.866 -11.840 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.014 -12.534 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.935 -13.605 -3.003 1.00 0.00 H new ATOM 15 N ASP A 3 4.616 -12.859 -1.624 1.00 0.00 N ATOM 16 CA ASP A 3 5.189 -13.068 -0.305 1.00 0.00 C ATOM 17 C ASP A 3 5.178 -11.775 0.514 1.00 0.00 C ATOM 18 O ASP A 3 5.322 -10.666 -0.003 1.00 0.00 O ATOM 19 CB ASP A 3 6.580 -13.709 -0.411 1.00 0.00 C ATOM 20 CG ASP A 3 7.389 -13.553 0.872 1.00 0.00 C ATOM 21 OD1 ASP A 3 6.835 -13.797 1.968 1.00 0.00 O ATOM 22 OD2 ASP A 3 8.535 -13.083 0.744 1.00 0.00 O ATOM 0 H ASP A 3 5.297 -12.870 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 3 4.565 -13.775 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.472 -14.768 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.125 -13.255 -1.239 1.00 0.00 H new ATOM 23 N LEU A 4 5.014 -11.960 1.820 1.00 0.00 N ATOM 24 CA LEU A 4 5.007 -10.954 2.848 1.00 0.00 C ATOM 25 C LEU A 4 6.383 -10.327 3.001 1.00 0.00 C ATOM 26 O LEU A 4 6.501 -9.109 3.080 1.00 0.00 O ATOM 27 CB LEU A 4 4.582 -11.629 4.164 1.00 0.00 C ATOM 28 CG LEU A 4 3.249 -11.048 4.604 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.091 -11.467 3.688 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.938 -11.426 6.054 1.00 0.00 C ATOM 0 H LEU A 4 4.872 -12.894 2.205 1.00 0.00 H new ATOM 0 HA LEU A 4 4.311 -10.158 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.496 -12.707 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.337 -11.466 4.933 1.00 0.00 H new ATOM 0 HG LEU A 4 3.345 -9.965 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.163 -11.024 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.287 -11.122 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.999 -12.553 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.979 -10.998 6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.893 -12.511 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.720 -11.039 6.707 1.00 0.00 H new ATOM 31 N ALA A 5 7.419 -11.157 3.082 1.00 0.00 N ATOM 32 CA ALA A 5 8.787 -10.676 3.262 1.00 0.00 C ATOM 33 C ALA A 5 9.257 -9.910 2.023 1.00 0.00 C ATOM 34 O ALA A 5 9.794 -8.813 2.152 1.00 0.00 O ATOM 35 CB ALA A 5 9.726 -11.830 3.627 1.00 0.00 C ATOM 0 H ALA A 5 7.337 -12.172 3.026 1.00 0.00 H new ATOM 0 HA ALA A 5 8.806 -9.976 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.739 -11.448 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.391 -12.292 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.717 -12.573 2.829 1.00 0.00 H new ATOM 36 N LEU A 6 9.022 -10.447 0.825 1.00 0.00 N ATOM 37 CA LEU A 6 9.184 -9.754 -0.439 1.00 0.00 C ATOM 38 C LEU A 6 8.430 -8.423 -0.381 1.00 0.00 C ATOM 39 O LEU A 6 9.010 -7.358 -0.587 1.00 0.00 O ATOM 40 CB LEU A 6 8.648 -10.682 -1.539 1.00 0.00 C ATOM 41 CG LEU A 6 8.565 -10.030 -2.922 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.951 -9.707 -3.488 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.815 -10.963 -3.880 1.00 0.00 C ATOM 0 H LEU A 6 8.703 -11.409 0.712 1.00 0.00 H new ATOM 0 HA LEU A 6 10.228 -9.521 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.289 -11.561 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.656 -11.031 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 6 8.027 -9.088 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.845 -9.246 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.466 -9.019 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.530 -10.626 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.755 -10.501 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.348 -11.911 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.809 -11.141 -3.501 1.00 0.00 H new ATOM 44 N GLY A 7 7.132 -8.487 -0.076 1.00 0.00 N ATOM 45 CA GLY A 7 6.293 -7.315 0.091 1.00 0.00 C ATOM 46 C GLY A 7 6.923 -6.296 1.034 1.00 0.00 C ATOM 47 O GLY A 7 6.936 -5.103 0.751 1.00 0.00 O ATOM 0 H GLY A 7 6.636 -9.367 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.118 -6.852 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.320 -7.617 0.480 1.00 0.00 H new ATOM 48 N LYS A 8 7.467 -6.754 2.157 1.00 0.00 N ATOM 49 CA LYS A 8 8.132 -5.887 3.097 1.00 0.00 C ATOM 50 C LYS A 8 9.353 -5.241 2.445 1.00 0.00 C ATOM 51 O LYS A 8 9.463 -4.021 2.419 1.00 0.00 O ATOM 52 CB LYS A 8 8.488 -6.653 4.375 1.00 0.00 C ATOM 53 CG LYS A 8 9.126 -5.629 5.302 1.00 0.00 C ATOM 54 CD LYS A 8 9.326 -6.104 6.735 1.00 0.00 C ATOM 55 CE LYS A 8 10.135 -5.044 7.503 1.00 0.00 C ATOM 56 NZ LYS A 8 9.592 -3.674 7.350 1.00 0.00 N ATOM 0 H LYS A 8 7.454 -7.736 2.432 1.00 0.00 H new ATOM 0 HA LYS A 8 7.456 -5.083 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.600 -7.093 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.176 -7.472 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.093 -5.340 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.505 -4.733 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.362 -6.264 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.851 -7.059 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.152 -5.305 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.167 -5.060 7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.367 -2.984 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.130 -3.585 6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.897 -3.490 8.102 1.00 0.00 H new ATOM 57 N ALA A 9 10.280 -6.053 1.937 1.00 0.00 N ATOM 58 CA ALA A 9 11.471 -5.578 1.241 1.00 0.00 C ATOM 59 C ALA A 9 11.123 -4.479 0.231 1.00 0.00 C ATOM 60 O ALA A 9 11.774 -3.434 0.199 1.00 0.00 O ATOM 61 CB ALA A 9 12.186 -6.753 0.566 1.00 0.00 C ATOM 0 H ALA A 9 10.223 -7.069 1.999 1.00 0.00 H new ATOM 0 HA ALA A 9 12.148 -5.137 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.074 -6.390 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.479 -7.483 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.515 -7.223 -0.152 1.00 0.00 H new ATOM 62 N VAL A 10 10.072 -4.690 -0.566 1.00 0.00 N ATOM 63 CA VAL A 10 9.549 -3.667 -1.452 1.00 0.00 C ATOM 64 C VAL A 10 9.126 -2.442 -0.641 1.00 0.00 C ATOM 65 O VAL A 10 9.621 -1.346 -0.899 1.00 0.00 O ATOM 66 CB VAL A 10 8.375 -4.246 -2.254 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.704 -3.178 -3.117 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.825 -5.393 -3.160 1.00 0.00 C ATOM 0 H VAL A 10 9.567 -5.575 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 10 10.321 -3.349 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 10 7.660 -4.622 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.878 -3.624 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.325 -2.380 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.431 -2.767 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.968 -5.778 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.575 -5.029 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.253 -6.190 -2.552 1.00 0.00 H new ATOM 69 N PHE A 11 8.209 -2.623 0.312 1.00 0.00 N ATOM 70 CA PHE A 11 7.640 -1.563 1.133 1.00 0.00 C ATOM 71 C PHE A 11 8.716 -0.631 1.680 1.00 0.00 C ATOM 72 O PHE A 11 8.735 0.569 1.396 1.00 0.00 O ATOM 73 CB PHE A 11 6.811 -2.164 2.273 1.00 0.00 C ATOM 74 CG PHE A 11 6.058 -1.123 3.073 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.848 -0.607 2.579 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.645 -0.557 4.220 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.268 0.521 3.181 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.036 0.540 4.851 1.00 0.00 C ATOM 79 CZ PHE A 11 4.861 1.097 4.319 1.00 0.00 C ATOM 0 H PHE A 11 7.833 -3.544 0.537 1.00 0.00 H new ATOM 0 HA PHE A 11 6.987 -0.964 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.100 -2.879 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.470 -2.719 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.364 -1.078 1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.563 -0.966 4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.365 0.947 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.472 0.956 5.747 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.415 1.964 4.782 1.00 0.00 H new ATOM 80 N ASP A 12 9.623 -1.218 2.454 1.00 0.00 N ATOM 81 CA ASP A 12 10.721 -0.554 3.119 1.00 0.00 C ATOM 82 C ASP A 12 11.588 0.231 2.127 1.00 0.00 C ATOM 83 O ASP A 12 12.167 1.247 2.505 1.00 0.00 O ATOM 84 CB ASP A 12 11.518 -1.609 3.902 1.00 0.00 C ATOM 85 CG ASP A 12 10.772 -2.134 5.126 1.00 0.00 C ATOM 86 OD1 ASP A 12 9.609 -2.576 4.985 1.00 0.00 O ATOM 87 OD2 ASP A 12 11.346 -2.158 6.238 1.00 0.00 O ATOM 0 H ASP A 12 9.604 -2.221 2.639 1.00 0.00 H new ATOM 0 HA ASP A 12 10.341 0.190 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.753 -2.443 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.467 -1.177 4.220 1.00 0.00 H new ATOM 88 N GLY A 13 11.679 -0.206 0.864 1.00 0.00 N ATOM 89 CA GLY A 13 12.455 0.494 -0.147 1.00 0.00 C ATOM 90 C GLY A 13 11.650 1.609 -0.815 1.00 0.00 C ATOM 91 O GLY A 13 12.161 2.704 -1.033 1.00 0.00 O ATOM 0 H GLY A 13 11.217 -1.050 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.350 0.917 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.789 -0.216 -0.904 1.00 0.00 H new ATOM 92 N ASN A 14 10.408 1.305 -1.202 1.00 0.00 N ATOM 93 CA ASN A 14 9.661 2.056 -2.207 1.00 0.00 C ATOM 94 C ASN A 14 8.579 2.935 -1.585 1.00 0.00 C ATOM 95 O ASN A 14 8.281 4.014 -2.094 1.00 0.00 O ATOM 96 CB ASN A 14 8.997 1.093 -3.201 1.00 0.00 C ATOM 97 CG ASN A 14 10.005 0.329 -4.051 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.291 0.712 -5.180 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.543 -0.766 -3.523 1.00 0.00 N ATOM 0 H ASN A 14 9.887 0.517 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 14 10.378 2.700 -2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.379 0.382 -2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.331 1.656 -3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.215 -1.314 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.284 -1.058 -2.581 1.00 0.00 H new ATOM 100 N CYS A 15 7.935 2.432 -0.534 1.00 0.00 N ATOM 101 CA CYS A 15 6.667 2.939 -0.027 1.00 0.00 C ATOM 102 C CYS A 15 6.924 3.749 1.242 1.00 0.00 C ATOM 103 O CYS A 15 6.378 4.840 1.421 1.00 0.00 O ATOM 104 CB CYS A 15 5.742 1.782 0.257 1.00 0.00 C ATOM 105 SG CYS A 15 5.626 0.565 -1.095 1.00 0.00 S ATOM 0 H CYS A 15 8.292 1.640 0.001 1.00 0.00 H new ATOM 0 HA CYS A 15 6.197 3.585 -0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.081 1.274 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.746 2.171 0.466 1.00 0.00 H new ATOM 106 N ALA A 16 7.801 3.222 2.107 1.00 0.00 N ATOM 107 CA ALA A 16 8.248 3.858 3.340 1.00 0.00 C ATOM 108 C ALA A 16 8.610 5.332 3.136 1.00 0.00 C ATOM 109 O ALA A 16 8.351 6.154 4.013 1.00 0.00 O ATOM 110 CB ALA A 16 9.439 3.081 3.902 1.00 0.00 C ATOM 0 H ALA A 16 8.230 2.309 1.956 1.00 0.00 H new ATOM 0 HA ALA A 16 7.423 3.837 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.778 3.552 4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.139 2.054 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.251 3.083 3.174 1.00 0.00 H new ATOM 111 N ALA A 17 9.176 5.665 1.970 1.00 0.00 N ATOM 112 CA ALA A 17 9.448 7.032 1.539 1.00 0.00 C ATOM 113 C ALA A 17 8.312 7.997 1.900 1.00 0.00 C ATOM 114 O ALA A 17 8.570 9.096 2.386 1.00 0.00 O ATOM 115 CB ALA A 17 9.687 7.040 0.025 1.00 0.00 C ATOM 0 H ALA A 17 9.464 4.967 1.284 1.00 0.00 H new ATOM 0 HA ALA A 17 10.337 7.381 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.891 8.058 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.540 6.404 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.800 6.664 -0.485 1.00 0.00 H new ATOM 116 N CYS A 18 7.064 7.589 1.647 1.00 0.00 N ATOM 117 CA CYS A 18 5.884 8.404 1.913 1.00 0.00 C ATOM 118 C CYS A 18 5.122 7.893 3.139 1.00 0.00 C ATOM 119 O CYS A 18 4.534 8.696 3.869 1.00 0.00 O ATOM 120 CB CYS A 18 5.002 8.461 0.696 1.00 0.00 C ATOM 121 SG CYS A 18 5.832 9.407 -0.616 1.00 0.00 S ATOM 0 H CYS A 18 6.847 6.675 1.248 1.00 0.00 H new ATOM 0 HA CYS A 18 6.211 9.419 2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.782 7.452 0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.049 8.927 0.947 1.00 0.00 H new ATOM 122 N HIS A 19 5.125 6.571 3.351 1.00 0.00 N ATOM 123 CA HIS A 19 4.272 5.884 4.314 1.00 0.00 C ATOM 124 C HIS A 19 5.028 5.238 5.478 1.00 0.00 C ATOM 125 O HIS A 19 4.423 4.418 6.157 1.00 0.00 O ATOM 126 CB HIS A 19 3.487 4.801 3.566 1.00 0.00 C ATOM 127 CG HIS A 19 2.558 5.334 2.514 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.398 6.028 2.764 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.576 5.012 1.184 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.730 6.117 1.604 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.402 5.508 0.612 1.00 0.00 N ATOM 0 H HIS A 19 5.740 5.937 2.841 1.00 0.00 H new ATOM 0 HA HIS A 19 3.623 6.638 4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.192 4.114 3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.909 4.223 4.287 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.101 6.405 3.664 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.357 4.472 0.669 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.222 6.613 1.483 1.00 0.00 H new ATOM 132 N ALA A 20 6.296 5.576 5.733 1.00 0.00 N ATOM 133 CA ALA A 20 7.148 5.062 6.814 1.00 0.00 C ATOM 134 C ALA A 20 6.557 3.911 7.653 1.00 0.00 C ATOM 135 O ALA A 20 6.829 2.751 7.361 1.00 0.00 O ATOM 136 CB ALA A 20 7.624 6.234 7.677 1.00 0.00 C ATOM 0 H ALA A 20 6.787 6.258 5.155 1.00 0.00 H new ATOM 0 HA ALA A 20 7.998 4.581 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.257 5.860 8.482 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.193 6.931 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.761 6.746 8.103 1.00 0.00 H new ATOM 137 N GLY A 21 5.751 4.218 8.679 1.00 0.00 N ATOM 138 CA GLY A 21 5.060 3.229 9.509 1.00 0.00 C ATOM 139 C GLY A 21 3.555 3.247 9.234 1.00 0.00 C ATOM 140 O GLY A 21 2.757 3.540 10.119 1.00 0.00 O ATOM 0 H GLY A 21 5.559 5.180 8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.459 2.235 9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.245 3.439 10.563 1.00 0.00 H new ATOM 141 N GLY A 22 3.170 3.006 7.979 1.00 0.00 N ATOM 142 CA GLY A 22 1.820 3.238 7.477 1.00 0.00 C ATOM 143 C GLY A 22 1.457 4.728 7.457 1.00 0.00 C ATOM 144 O GLY A 22 0.297 5.090 7.254 1.00 0.00 O ATOM 0 H GLY A 22 3.804 2.636 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.734 2.831 6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.105 2.700 8.100 1.00 0.00 H new ATOM 145 N GLY A 23 2.451 5.593 7.663 1.00 0.00 N ATOM 146 CA GLY A 23 2.284 6.983 8.028 1.00 0.00 C ATOM 147 C GLY A 23 2.357 7.876 6.809 1.00 0.00 C ATOM 148 O GLY A 23 3.409 8.438 6.530 1.00 0.00 O ATOM 0 H GLY A 23 3.431 5.324 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.324 7.119 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.057 7.271 8.741 1.00 0.00 H new ATOM 149 N ASN A 24 1.236 7.990 6.096 1.00 0.00 N ATOM 150 CA ASN A 24 1.075 8.884 4.958 1.00 0.00 C ATOM 151 C ASN A 24 1.478 10.318 5.310 1.00 0.00 C ATOM 152 O ASN A 24 0.642 11.083 5.776 1.00 0.00 O ATOM 153 CB ASN A 24 -0.378 8.858 4.508 1.00 0.00 C ATOM 154 CG ASN A 24 -0.510 9.502 3.135 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.157 10.478 2.792 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.332 8.872 2.318 1.00 0.00 N ATOM 0 H ASN A 24 0.397 7.448 6.302 1.00 0.00 H new ATOM 0 HA ASN A 24 1.727 8.541 4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.738 7.830 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.000 9.389 5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.436 9.190 1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.863 8.067 2.650 1.00 0.00 H new ATOM 157 N ASN A 25 2.731 10.716 5.074 1.00 0.00 N ATOM 158 CA ASN A 25 3.156 12.071 5.429 1.00 0.00 C ATOM 159 C ASN A 25 2.770 13.112 4.374 1.00 0.00 C ATOM 160 O ASN A 25 3.045 14.293 4.567 1.00 0.00 O ATOM 161 CB ASN A 25 4.644 12.125 5.799 1.00 0.00 C ATOM 162 CG ASN A 25 5.579 12.226 4.597 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.026 13.308 4.231 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.924 11.097 3.995 1.00 0.00 N ATOM 0 H ASN A 25 3.453 10.135 4.649 1.00 0.00 H new ATOM 0 HA ASN A 25 2.600 12.345 6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.815 12.981 6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.898 11.232 6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.574 11.116 3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.539 10.209 4.317 1.00 0.00 H new ATOM 165 N VAL A 26 2.126 12.699 3.276 1.00 0.00 N ATOM 166 CA VAL A 26 1.768 13.592 2.183 1.00 0.00 C ATOM 167 C VAL A 26 0.341 14.104 2.376 1.00 0.00 C ATOM 168 O VAL A 26 0.113 15.310 2.402 1.00 0.00 O ATOM 169 CB VAL A 26 1.939 12.854 0.850 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.620 13.778 -0.327 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.371 12.341 0.691 1.00 0.00 C ATOM 0 H VAL A 26 1.840 11.731 3.126 1.00 0.00 H new ATOM 0 HA VAL A 26 2.427 14.460 2.174 1.00 0.00 H new ATOM 0 HB VAL A 26 1.247 12.012 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.748 13.233 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.590 14.126 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.294 14.634 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.467 11.821 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.064 13.182 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.604 11.654 1.504 1.00 0.00 H new ATOM 172 N ILE A 27 -0.616 13.182 2.513 1.00 0.00 N ATOM 173 CA ILE A 27 -1.987 13.462 2.915 1.00 0.00 C ATOM 174 C ILE A 27 -2.149 12.839 4.316 1.00 0.00 C ATOM 175 O ILE A 27 -2.483 11.657 4.415 1.00 0.00 O ATOM 176 CB ILE A 27 -2.977 12.925 1.856 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.709 13.569 0.470 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.416 13.226 2.312 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.820 13.314 -0.553 1.00 0.00 C ATOM 0 H ILE A 27 -0.447 12.191 2.341 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.209 14.528 2.974 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.840 11.848 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.584 14.644 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.769 13.183 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.119 12.850 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.604 12.739 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.545 14.303 2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.563 13.794 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.931 12.241 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.759 13.725 -0.181 1.00 0.00 H new ATOM 180 N PRO A 28 -1.881 13.610 5.391 1.00 0.00 N ATOM 181 CA PRO A 28 -1.674 13.136 6.758 1.00 0.00 C ATOM 182 C PRO A 28 -2.557 11.979 7.223 1.00 0.00 C ATOM 183 O PRO A 28 -2.060 11.005 7.785 1.00 0.00 O ATOM 184 CB PRO A 28 -1.855 14.368 7.643 1.00 0.00 C ATOM 185 CG PRO A 28 -1.254 15.467 6.773 1.00 0.00 C ATOM 186 CD PRO A 28 -1.672 15.054 5.361 1.00 0.00 C ATOM 0 HA PRO A 28 -0.680 12.693 6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.904 14.556 7.873 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.333 14.268 8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.643 16.450 7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.170 15.515 6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.583 15.571 5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.902 15.319 4.636 1.00 0.00 H new ATOM 187 N ASP A 29 -3.872 12.112 7.041 1.00 0.00 N ATOM 188 CA ASP A 29 -4.853 11.211 7.631 1.00 0.00 C ATOM 189 C ASP A 29 -5.046 9.937 6.800 1.00 0.00 C ATOM 190 O ASP A 29 -5.585 8.944 7.286 1.00 0.00 O ATOM 191 CB ASP A 29 -6.164 11.987 7.809 1.00 0.00 C ATOM 192 CG ASP A 29 -7.135 11.261 8.729 1.00 0.00 C ATOM 193 OD1 ASP A 29 -6.744 11.027 9.893 1.00 0.00 O ATOM 194 OD2 ASP A 29 -8.267 11.003 8.271 1.00 0.00 O ATOM 0 H ASP A 29 -4.285 12.854 6.476 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.494 10.868 8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.948 12.975 8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.631 12.138 6.836 1.00 0.00 H new ATOM 195 N HIS A 30 -4.589 9.930 5.544 1.00 0.00 N ATOM 196 CA HIS A 30 -4.863 8.847 4.605 1.00 0.00 C ATOM 197 C HIS A 30 -3.825 7.725 4.796 1.00 0.00 C ATOM 198 O HIS A 30 -3.104 7.353 3.867 1.00 0.00 O ATOM 199 CB HIS A 30 -4.913 9.465 3.198 1.00 0.00 C ATOM 200 CG HIS A 30 -5.730 8.717 2.174 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.662 7.376 1.884 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.620 9.276 1.293 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.463 7.145 0.829 1.00 0.00 C ATOM 204 NE2 HIS A 30 -7.072 8.272 0.439 1.00 0.00 N ATOM 0 H HIS A 30 -4.018 10.679 5.153 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.825 8.365 4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.310 10.477 3.281 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.892 9.553 2.825 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.104 6.681 2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.919 10.314 1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.597 6.181 0.360 1.00 0.00 H new ATOM 205 N THR A 31 -3.717 7.231 6.035 1.00 0.00 N ATOM 206 CA THR A 31 -2.686 6.310 6.505 1.00 0.00 C ATOM 207 C THR A 31 -3.004 4.871 6.110 1.00 0.00 C ATOM 208 O THR A 31 -4.169 4.483 6.082 1.00 0.00 O ATOM 209 CB THR A 31 -2.628 6.389 8.035 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.928 6.205 8.548 1.00 0.00 O ATOM 211 CG2 THR A 31 -2.139 7.746 8.525 1.00 0.00 C ATOM 0 H THR A 31 -4.380 7.477 6.770 1.00 0.00 H new ATOM 0 HA THR A 31 -1.735 6.593 6.053 1.00 0.00 H new ATOM 0 HB THR A 31 -1.934 5.620 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.885 6.108 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.115 7.752 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.137 7.933 8.139 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.815 8.525 8.172 1.00 0.00 H new ATOM 212 N LEU A 32 -1.980 4.032 5.942 1.00 0.00 N ATOM 213 CA LEU A 32 -2.164 2.641 5.540 1.00 0.00 C ATOM 214 C LEU A 32 -2.648 1.753 6.696 1.00 0.00 C ATOM 215 O LEU A 32 -2.213 0.607 6.787 1.00 0.00 O ATOM 216 CB LEU A 32 -0.843 2.064 5.002 1.00 0.00 C ATOM 217 CG LEU A 32 -0.110 2.907 3.954 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.087 2.098 3.446 1.00 0.00 C ATOM 219 CD2 LEU A 32 -1.021 3.234 2.775 1.00 0.00 C ATOM 0 H LEU A 32 -1.005 4.298 6.081 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.930 2.641 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.170 1.906 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.048 1.084 4.570 1.00 0.00 H new ATOM 0 HG LEU A 32 0.209 3.844 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.626 2.678 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.753 1.872 4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.735 1.168 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.474 3.833 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.355 2.309 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.887 3.794 3.128 1.00 0.00 H new ATOM 220 N GLN A 33 -3.529 2.229 7.582 1.00 0.00 N ATOM 221 CA GLN A 33 -3.996 1.448 8.723 1.00 0.00 C ATOM 222 C GLN A 33 -5.499 1.200 8.619 1.00 0.00 C ATOM 223 O GLN A 33 -6.232 2.098 8.207 1.00 0.00 O ATOM 224 CB GLN A 33 -3.524 2.049 10.050 1.00 0.00 C ATOM 225 CG GLN A 33 -4.314 3.267 10.527 1.00 0.00 C ATOM 226 CD GLN A 33 -3.595 3.968 11.678 1.00 0.00 C ATOM 227 OE1 GLN A 33 -3.355 5.168 11.631 1.00 0.00 O ATOM 228 NE2 GLN A 33 -3.218 3.230 12.719 1.00 0.00 N ATOM 0 H GLN A 33 -3.935 3.163 7.525 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.536 0.460 8.701 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.575 1.278 10.819 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.476 2.331 9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.450 3.964 9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.308 2.957 10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.427 2.232 12.739 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.720 3.662 13.497 1.00 0.00 H new ATOM 229 N LYS A 34 -5.924 -0.027 8.964 1.00 0.00 N ATOM 230 CA LYS A 34 -7.258 -0.578 8.749 1.00 0.00 C ATOM 231 C LYS A 34 -8.333 0.501 8.745 1.00 0.00 C ATOM 232 O LYS A 34 -8.908 0.796 7.706 1.00 0.00 O ATOM 233 CB LYS A 34 -7.532 -1.637 9.819 1.00 0.00 C ATOM 234 CG LYS A 34 -8.927 -2.262 9.682 1.00 0.00 C ATOM 235 CD LYS A 34 -9.005 -3.445 10.653 1.00 0.00 C ATOM 236 CE LYS A 34 -10.379 -4.129 10.812 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.490 -3.506 10.058 1.00 0.00 N ATOM 0 H LYS A 34 -5.305 -0.693 9.426 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.292 -1.039 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.778 -2.421 9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.435 -1.185 10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.699 -1.528 9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.098 -2.595 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.287 -4.198 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.683 -3.099 11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.287 -5.168 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.641 -4.138 11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.398 -3.826 10.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.425 -2.471 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.429 -3.783 9.057 1.00 0.00 H new ATOM 238 N ALA A 35 -8.567 1.098 9.913 1.00 0.00 N ATOM 239 CA ALA A 35 -9.583 2.119 10.122 1.00 0.00 C ATOM 240 C ALA A 35 -9.648 3.128 8.968 1.00 0.00 C ATOM 241 O ALA A 35 -10.723 3.364 8.418 1.00 0.00 O ATOM 242 CB ALA A 35 -9.321 2.829 11.453 1.00 0.00 C ATOM 0 H ALA A 35 -8.041 0.877 10.758 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.554 1.626 10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.080 3.595 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.360 2.104 12.266 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.336 3.295 11.429 1.00 0.00 H new ATOM 243 N ALA A 36 -8.497 3.703 8.600 1.00 0.00 N ATOM 244 CA ALA A 36 -8.407 4.755 7.597 1.00 0.00 C ATOM 245 C ALA A 36 -8.591 4.162 6.203 1.00 0.00 C ATOM 246 O ALA A 36 -9.289 4.732 5.365 1.00 0.00 O ATOM 247 CB ALA A 36 -7.046 5.446 7.713 1.00 0.00 C ATOM 0 H ALA A 36 -7.595 3.443 8.999 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.195 5.490 7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.973 6.235 6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.942 5.879 8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.253 4.717 7.550 1.00 0.00 H new ATOM 248 N ILE A 37 -8.004 2.984 5.983 1.00 0.00 N ATOM 249 CA ILE A 37 -8.131 2.257 4.731 1.00 0.00 C ATOM 250 C ILE A 37 -9.615 2.009 4.440 1.00 0.00 C ATOM 251 O ILE A 37 -10.092 2.297 3.347 1.00 0.00 O ATOM 252 CB ILE A 37 -7.238 0.993 4.790 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.135 1.000 3.726 1.00 0.00 C ATOM 254 CG2 ILE A 37 -7.978 -0.339 4.681 1.00 0.00 C ATOM 255 CD1 ILE A 37 -4.882 0.287 4.243 1.00 0.00 C ATOM 0 H ILE A 37 -7.425 2.510 6.676 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.766 2.830 3.879 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.813 1.057 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.492 0.509 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.890 2.027 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.261 -1.159 4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.691 -0.427 5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.511 -0.383 3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.111 0.303 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.515 0.796 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.127 -0.746 4.490 1.00 0.00 H new ATOM 256 N GLU A 38 -10.364 1.527 5.430 1.00 0.00 N ATOM 257 CA GLU A 38 -11.777 1.236 5.301 1.00 0.00 C ATOM 258 C GLU A 38 -12.602 2.479 4.961 1.00 0.00 C ATOM 259 O GLU A 38 -13.573 2.360 4.215 1.00 0.00 O ATOM 260 CB GLU A 38 -12.246 0.504 6.564 1.00 0.00 C ATOM 261 CG GLU A 38 -11.571 -0.876 6.562 1.00 0.00 C ATOM 262 CD GLU A 38 -11.874 -1.754 7.761 1.00 0.00 C ATOM 263 OE1 GLU A 38 -11.931 -1.248 8.906 1.00 0.00 O ATOM 264 OE2 GLU A 38 -11.897 -2.992 7.581 1.00 0.00 O ATOM 0 H GLU A 38 -9.992 1.327 6.358 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.938 0.575 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.974 1.065 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.331 0.402 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.873 -1.407 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.492 -0.733 6.502 1.00 0.00 H new ATOM 265 N GLN A 39 -12.240 3.663 5.470 1.00 0.00 N ATOM 266 CA GLN A 39 -12.873 4.889 5.025 1.00 0.00 C ATOM 267 C GLN A 39 -12.483 5.215 3.580 1.00 0.00 C ATOM 268 O GLN A 39 -13.352 5.398 2.731 1.00 0.00 O ATOM 269 CB GLN A 39 -12.495 6.057 5.943 1.00 0.00 C ATOM 270 CG GLN A 39 -12.749 5.824 7.434 1.00 0.00 C ATOM 271 CD GLN A 39 -14.048 5.083 7.729 1.00 0.00 C ATOM 272 OE1 GLN A 39 -15.132 5.644 7.621 1.00 0.00 O ATOM 273 NE2 GLN A 39 -13.946 3.813 8.112 1.00 0.00 N ATOM 0 H GLN A 39 -11.520 3.788 6.181 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.952 4.740 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.438 6.281 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.053 6.939 5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.916 5.258 7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.767 6.787 7.945 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.028 3.377 8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.786 3.276 8.326 1.00 0.00 H new ATOM 274 N PHE A 40 -11.182 5.374 3.324 1.00 0.00 N ATOM 275 CA PHE A 40 -10.714 6.068 2.135 1.00 0.00 C ATOM 276 C PHE A 40 -10.595 5.159 0.915 1.00 0.00 C ATOM 277 O PHE A 40 -10.924 5.595 -0.187 1.00 0.00 O ATOM 278 CB PHE A 40 -9.398 6.798 2.429 1.00 0.00 C ATOM 279 CG PHE A 40 -9.479 7.789 3.573 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.408 8.845 3.519 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.617 7.674 4.680 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.522 9.743 4.592 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.726 8.578 5.752 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.688 9.601 5.714 1.00 0.00 C ATOM 0 H PHE A 40 -10.437 5.029 3.929 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.473 6.806 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.629 6.060 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.079 7.324 1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.036 8.965 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.872 6.892 4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.249 10.541 4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.070 8.486 6.605 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.787 10.279 6.548 1.00 0.00 H new ATOM 285 N LEU A 41 -10.100 3.928 1.072 1.00 0.00 N ATOM 286 CA LEU A 41 -9.815 3.055 -0.036 1.00 0.00 C ATOM 287 C LEU A 41 -11.012 2.862 -0.962 1.00 0.00 C ATOM 288 O LEU A 41 -12.076 2.407 -0.541 1.00 0.00 O ATOM 289 CB LEU A 41 -9.327 1.730 0.533 1.00 0.00 C ATOM 290 CG LEU A 41 -8.664 0.844 -0.514 1.00 0.00 C ATOM 291 CD1 LEU A 41 -7.640 1.639 -1.323 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.923 -0.219 0.279 1.00 0.00 C ATOM 0 H LEU A 41 -9.890 3.520 1.983 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.045 3.509 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.619 1.925 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.170 1.196 0.972 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.400 0.435 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.178 0.988 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.138 2.467 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.872 2.030 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.418 -0.899 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.187 0.257 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.633 -0.779 0.888 1.00 0.00 H new ATOM 293 N ASP A 42 -10.805 3.178 -2.241 1.00 0.00 N ATOM 294 CA ASP A 42 -11.827 3.301 -3.271 1.00 0.00 C ATOM 295 C ASP A 42 -12.717 2.057 -3.329 1.00 0.00 C ATOM 296 O ASP A 42 -13.924 2.164 -3.533 1.00 0.00 O ATOM 297 CB ASP A 42 -11.154 3.577 -4.631 1.00 0.00 C ATOM 298 CG ASP A 42 -9.999 4.565 -4.528 1.00 0.00 C ATOM 299 OD1 ASP A 42 -8.969 4.167 -3.939 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.100 5.719 -4.995 1.00 0.00 O ATOM 0 H ASP A 42 -9.869 3.364 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.477 4.140 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.787 2.639 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.897 3.965 -5.327 1.00 0.00 H new ATOM 301 N GLY A 43 -12.112 0.877 -3.152 1.00 0.00 N ATOM 302 CA GLY A 43 -12.801 -0.408 -3.167 1.00 0.00 C ATOM 303 C GLY A 43 -12.799 -1.105 -1.805 1.00 0.00 C ATOM 304 O GLY A 43 -12.877 -2.332 -1.758 1.00 0.00 O ATOM 0 H GLY A 43 -11.108 0.792 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.831 -0.258 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.328 -1.059 -3.902 1.00 0.00 H new ATOM 305 N GLY A 44 -12.732 -0.360 -0.696 1.00 0.00 N ATOM 306 CA GLY A 44 -12.780 -0.926 0.641 1.00 0.00 C ATOM 307 C GLY A 44 -11.506 -1.698 0.975 1.00 0.00 C ATOM 308 O GLY A 44 -10.599 -1.823 0.153 1.00 0.00 O ATOM 0 H GLY A 44 -12.643 0.656 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.923 -0.127 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.640 -1.590 0.724 1.00 0.00 H new ATOM 309 N PHE A 45 -11.434 -2.212 2.206 1.00 0.00 N ATOM 310 CA PHE A 45 -10.268 -2.954 2.678 1.00 0.00 C ATOM 311 C PHE A 45 -10.177 -4.323 1.999 1.00 0.00 C ATOM 312 O PHE A 45 -10.480 -5.346 2.610 1.00 0.00 O ATOM 313 CB PHE A 45 -10.224 -3.071 4.203 1.00 0.00 C ATOM 314 CG PHE A 45 -9.004 -3.765 4.793 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.731 -3.625 4.201 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.119 -4.425 6.031 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.582 -4.048 4.886 1.00 0.00 C ATOM 318 CE2 PHE A 45 -7.972 -4.910 6.685 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.701 -4.692 6.127 1.00 0.00 C ATOM 0 H PHE A 45 -12.179 -2.125 2.897 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.387 -2.380 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.284 -2.068 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.114 -3.608 4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.641 -3.190 3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.092 -4.560 6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.605 -3.878 4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.068 -5.450 7.616 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.816 -5.020 6.653 1.00 0.00 H new ATOM 320 N ASN A 46 -9.747 -4.337 0.737 1.00 0.00 N ATOM 321 CA ASN A 46 -9.686 -5.536 -0.098 1.00 0.00 C ATOM 322 C ASN A 46 -8.351 -5.567 -0.838 1.00 0.00 C ATOM 323 O ASN A 46 -7.800 -4.512 -1.153 1.00 0.00 O ATOM 324 CB ASN A 46 -10.874 -5.559 -1.065 1.00 0.00 C ATOM 325 CG ASN A 46 -12.200 -5.746 -0.332 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.442 -6.786 0.274 1.00 0.00 O ATOM 327 ND2 ASN A 46 -13.073 -4.743 -0.356 1.00 0.00 N ATOM 0 H ASN A 46 -9.425 -3.497 0.257 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.751 -6.430 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.900 -4.628 -1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.740 -6.366 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.963 -4.830 0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.853 -3.887 -0.865 1.00 0.00 H new ATOM 328 N ILE A 47 -7.803 -6.760 -1.094 1.00 0.00 N ATOM 329 CA ILE A 47 -6.487 -6.914 -1.687 1.00 0.00 C ATOM 330 C ILE A 47 -6.521 -6.267 -3.066 1.00 0.00 C ATOM 331 O ILE A 47 -5.686 -5.427 -3.372 1.00 0.00 O ATOM 332 CB ILE A 47 -6.119 -8.410 -1.737 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.844 -8.991 -0.337 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.929 -8.666 -2.666 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.469 -8.624 0.231 1.00 0.00 C ATOM 0 H ILE A 47 -8.269 -7.645 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.715 -6.422 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.989 -8.927 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.615 -8.639 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.929 -10.077 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.698 -9.731 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.179 -8.339 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.062 -8.110 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.352 -9.071 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.689 -9.000 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.386 -7.540 0.311 1.00 0.00 H new ATOM 336 N GLU A 48 -7.517 -6.632 -3.868 1.00 0.00 N ATOM 337 CA GLU A 48 -7.842 -6.038 -5.153 1.00 0.00 C ATOM 338 C GLU A 48 -7.668 -4.522 -5.103 1.00 0.00 C ATOM 339 O GLU A 48 -6.888 -3.941 -5.853 1.00 0.00 O ATOM 340 CB GLU A 48 -9.281 -6.390 -5.545 1.00 0.00 C ATOM 341 CG GLU A 48 -9.718 -7.826 -5.231 1.00 0.00 C ATOM 342 CD GLU A 48 -10.258 -8.020 -3.816 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.423 -8.254 -2.912 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.487 -7.879 -3.655 1.00 0.00 O ATOM 0 H GLU A 48 -8.151 -7.392 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.160 -6.440 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.956 -5.703 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.400 -6.218 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.486 -8.125 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.869 -8.493 -5.378 1.00 0.00 H new ATOM 345 N ALA A 49 -8.412 -3.897 -4.193 1.00 0.00 N ATOM 346 CA ALA A 49 -8.399 -2.454 -3.993 1.00 0.00 C ATOM 347 C ALA A 49 -6.989 -1.929 -3.690 1.00 0.00 C ATOM 348 O ALA A 49 -6.536 -0.984 -4.336 1.00 0.00 O ATOM 349 CB ALA A 49 -9.407 -2.066 -2.910 1.00 0.00 C ATOM 0 H ALA A 49 -9.049 -4.388 -3.566 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.703 -1.976 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.390 -0.985 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.406 -2.376 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.144 -2.559 -1.974 1.00 0.00 H new ATOM 350 N ILE A 50 -6.277 -2.532 -2.727 1.00 0.00 N ATOM 351 CA ILE A 50 -4.895 -2.178 -2.442 1.00 0.00 C ATOM 352 C ILE A 50 -4.060 -2.257 -3.725 1.00 0.00 C ATOM 353 O ILE A 50 -3.473 -1.259 -4.145 1.00 0.00 O ATOM 354 CB ILE A 50 -4.333 -3.093 -1.333 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.065 -2.981 0.016 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.843 -2.826 -1.130 1.00 0.00 C ATOM 357 CD1 ILE A 50 -4.881 -1.639 0.719 1.00 0.00 C ATOM 0 H ILE A 50 -6.647 -3.273 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.847 -1.152 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.498 -4.111 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.129 -3.150 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.713 -3.775 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.460 -3.478 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.308 -3.023 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.696 -1.785 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.429 -1.644 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.822 -1.474 0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.261 -0.840 0.083 1.00 0.00 H new ATOM 358 N VAL A 51 -4.002 -3.436 -4.348 1.00 0.00 N ATOM 359 CA VAL A 51 -3.209 -3.703 -5.529 1.00 0.00 C ATOM 360 C VAL A 51 -3.488 -2.632 -6.585 1.00 0.00 C ATOM 361 O VAL A 51 -2.567 -1.986 -7.076 1.00 0.00 O ATOM 362 CB VAL A 51 -3.536 -5.116 -6.048 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.759 -5.360 -7.332 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.120 -6.233 -5.085 1.00 0.00 C ATOM 0 H VAL A 51 -4.525 -4.250 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.146 -3.666 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.618 -5.146 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.983 -6.358 -7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.046 -4.618 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.691 -5.279 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.381 -7.200 -5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.044 -6.188 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.639 -6.107 -4.135 1.00 0.00 H new ATOM 365 N TYR A 52 -4.769 -2.421 -6.897 1.00 0.00 N ATOM 366 CA TYR A 52 -5.225 -1.407 -7.834 1.00 0.00 C ATOM 367 C TYR A 52 -4.610 -0.042 -7.511 1.00 0.00 C ATOM 368 O TYR A 52 -4.180 0.667 -8.421 1.00 0.00 O ATOM 369 CB TYR A 52 -6.758 -1.350 -7.812 1.00 0.00 C ATOM 370 CG TYR A 52 -7.350 -0.285 -8.712 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.512 -0.539 -10.086 1.00 0.00 C ATOM 372 CD2 TYR A 52 -7.649 0.990 -8.196 1.00 0.00 C ATOM 373 CE1 TYR A 52 -7.924 0.491 -10.948 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.055 2.021 -9.060 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.164 1.778 -10.439 1.00 0.00 C ATOM 376 OH TYR A 52 -8.487 2.798 -11.282 1.00 0.00 O ATOM 0 H TYR A 52 -5.531 -2.966 -6.493 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.897 -1.674 -8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.151 -2.322 -8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.090 -1.172 -6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.320 -1.527 -10.479 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.566 1.176 -7.135 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.056 0.293 -12.002 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.283 3.000 -8.664 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.621 3.620 -10.765 1.00 0.00 H new ATOM 377 N GLN A 53 -4.563 0.321 -6.223 1.00 0.00 N ATOM 378 CA GLN A 53 -4.019 1.588 -5.762 1.00 0.00 C ATOM 379 C GLN A 53 -2.558 1.707 -6.205 1.00 0.00 C ATOM 380 O GLN A 53 -2.187 2.625 -6.935 1.00 0.00 O ATOM 381 CB GLN A 53 -4.150 1.670 -4.226 1.00 0.00 C ATOM 382 CG GLN A 53 -4.284 3.109 -3.724 1.00 0.00 C ATOM 383 CD GLN A 53 -5.720 3.624 -3.725 1.00 0.00 C ATOM 384 OE1 GLN A 53 -6.014 4.645 -3.112 1.00 0.00 O ATOM 385 NE2 GLN A 53 -6.640 2.963 -4.419 1.00 0.00 N ATOM 0 H GLN A 53 -4.909 -0.271 -5.468 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.574 2.419 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.020 1.095 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.277 1.208 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.885 3.170 -2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.672 3.761 -4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.385 2.115 -4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.601 3.304 -4.446 1.00 0.00 H new ATOM 386 N ILE A 54 -1.740 0.749 -5.760 1.00 0.00 N ATOM 387 CA ILE A 54 -0.315 0.671 -6.064 1.00 0.00 C ATOM 388 C ILE A 54 -0.097 0.670 -7.581 1.00 0.00 C ATOM 389 O ILE A 54 0.746 1.401 -8.100 1.00 0.00 O ATOM 390 CB ILE A 54 0.295 -0.576 -5.390 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.547 -0.381 -3.883 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.650 -0.954 -6.007 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.715 -0.554 -3.043 1.00 0.00 C ATOM 0 H ILE A 54 -2.063 -0.012 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 54 0.195 1.548 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.445 -1.360 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.300 -1.096 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.956 0.615 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.045 -1.837 -5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.520 -1.168 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.348 -0.125 -5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.475 -0.405 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.461 0.178 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.112 -1.559 -3.186 1.00 0.00 H new ATOM 394 N GLU A 55 -0.848 -0.173 -8.287 1.00 0.00 N ATOM 395 CA GLU A 55 -0.759 -0.308 -9.728 1.00 0.00 C ATOM 396 C GLU A 55 -0.962 1.059 -10.380 1.00 0.00 C ATOM 397 O GLU A 55 -0.041 1.593 -10.996 1.00 0.00 O ATOM 398 CB GLU A 55 -1.787 -1.350 -10.174 1.00 0.00 C ATOM 399 CG GLU A 55 -1.718 -1.731 -11.656 1.00 0.00 C ATOM 400 CD GLU A 55 -2.887 -2.637 -12.027 1.00 0.00 C ATOM 401 OE1 GLU A 55 -4.029 -2.121 -12.023 1.00 0.00 O ATOM 402 OE2 GLU A 55 -2.626 -3.830 -12.282 1.00 0.00 O ATOM 0 H GLU A 55 -1.543 -0.787 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 55 0.225 -0.657 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.652 -2.251 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.785 -0.970 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.738 -0.831 -12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.776 -2.238 -11.864 1.00 0.00 H new ATOM 403 N ASN A 56 -2.164 1.615 -10.222 1.00 0.00 N ATOM 404 CA ASN A 56 -2.666 2.715 -11.036 1.00 0.00 C ATOM 405 C ASN A 56 -2.214 4.088 -10.550 1.00 0.00 C ATOM 406 O ASN A 56 -2.187 5.027 -11.341 1.00 0.00 O ATOM 407 CB ASN A 56 -4.195 2.640 -11.124 1.00 0.00 C ATOM 408 CG ASN A 56 -4.627 1.395 -11.883 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.831 1.431 -13.093 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.733 0.286 -11.168 1.00 0.00 N ATOM 0 H ASN A 56 -2.826 1.305 -9.510 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.234 2.598 -12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.622 2.628 -10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.580 3.529 -11.624 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.995 -0.590 -11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.553 0.307 -10.164 1.00 0.00 H new ATOM 411 N GLY A 57 -1.859 4.222 -9.271 1.00 0.00 N ATOM 412 CA GLY A 57 -1.403 5.493 -8.725 1.00 0.00 C ATOM 413 C GLY A 57 -2.570 6.426 -8.397 1.00 0.00 C ATOM 414 O GLY A 57 -3.698 6.223 -8.843 1.00 0.00 O ATOM 0 H GLY A 57 -1.880 3.459 -8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.819 5.312 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.740 5.979 -9.441 1.00 0.00 H new ATOM 415 N LYS A 58 -2.293 7.415 -7.545 1.00 0.00 N ATOM 416 CA LYS A 58 -3.281 8.123 -6.756 1.00 0.00 C ATOM 417 C LYS A 58 -2.846 9.558 -6.428 1.00 0.00 C ATOM 418 O LYS A 58 -1.787 10.017 -6.861 1.00 0.00 O ATOM 419 CB LYS A 58 -3.473 7.288 -5.476 1.00 0.00 C ATOM 420 CG LYS A 58 -4.938 7.144 -5.091 1.00 0.00 C ATOM 421 CD LYS A 58 -5.678 6.215 -6.042 1.00 0.00 C ATOM 422 CE LYS A 58 -7.194 6.377 -5.829 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.606 6.417 -4.404 1.00 0.00 N ATOM 0 H LYS A 58 -1.343 7.749 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.213 8.229 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.040 6.299 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.929 7.756 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.011 6.758 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.414 8.125 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.417 6.448 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.382 5.181 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.522 7.295 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.709 5.552 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.640 6.510 -4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.310 5.539 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.157 7.230 -3.936 1.00 0.00 H new ATOM 424 N GLY A 59 -3.666 10.262 -5.636 1.00 0.00 N ATOM 425 CA GLY A 59 -3.353 11.562 -5.068 1.00 0.00 C ATOM 426 C GLY A 59 -1.943 11.551 -4.486 1.00 0.00 C ATOM 427 O GLY A 59 -1.635 10.738 -3.625 1.00 0.00 O ATOM 0 H GLY A 59 -4.591 9.924 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.433 12.332 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.075 11.811 -4.290 1.00 0.00 H new ATOM 428 N ALA A 60 -1.087 12.429 -5.011 1.00 0.00 N ATOM 429 CA ALA A 60 0.347 12.496 -4.777 1.00 0.00 C ATOM 430 C ALA A 60 0.996 11.121 -4.552 1.00 0.00 C ATOM 431 O ALA A 60 1.802 10.965 -3.638 1.00 0.00 O ATOM 432 CB ALA A 60 0.610 13.478 -3.636 1.00 0.00 C ATOM 0 H ALA A 60 -1.403 13.157 -5.652 1.00 0.00 H new ATOM 0 HA ALA A 60 0.831 12.864 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.682 13.539 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.233 14.463 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.103 13.133 -2.735 1.00 0.00 H new ATOM 433 N MET A 61 0.663 10.143 -5.405 1.00 0.00 N ATOM 434 CA MET A 61 1.164 8.779 -5.316 1.00 0.00 C ATOM 435 C MET A 61 1.469 8.233 -6.713 1.00 0.00 C ATOM 436 O MET A 61 0.532 7.971 -7.470 1.00 0.00 O ATOM 437 CB MET A 61 0.114 7.907 -4.632 1.00 0.00 C ATOM 438 CG MET A 61 0.501 6.428 -4.671 1.00 0.00 C ATOM 439 SD MET A 61 -0.227 5.396 -3.380 1.00 0.00 S ATOM 440 CE MET A 61 -0.171 3.764 -4.142 1.00 0.00 C ATOM 0 H MET A 61 0.026 10.288 -6.188 1.00 0.00 H new ATOM 0 HA MET A 61 2.086 8.769 -4.734 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.006 8.225 -3.596 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.850 8.045 -5.122 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.214 6.021 -5.641 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.586 6.353 -4.602 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.589 3.028 -3.456 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.753 3.773 -5.064 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.863 3.503 -4.368 1.00 0.00 H new ATOM 441 N PRO A 62 2.753 8.018 -7.052 1.00 0.00 N ATOM 442 CA PRO A 62 3.157 7.359 -8.282 1.00 0.00 C ATOM 443 C PRO A 62 2.415 6.044 -8.520 1.00 0.00 C ATOM 444 O PRO A 62 2.181 5.276 -7.588 1.00 0.00 O ATOM 445 CB PRO A 62 4.661 7.107 -8.139 1.00 0.00 C ATOM 446 CG PRO A 62 5.114 8.241 -7.224 1.00 0.00 C ATOM 447 CD PRO A 62 3.922 8.405 -6.281 1.00 0.00 C ATOM 0 HA PRO A 62 2.918 7.985 -9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.867 6.130 -7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.169 7.139 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.026 7.986 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.318 9.155 -7.782 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.033 7.777 -5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.838 9.434 -5.932 1.00 0.00 H new ATOM 448 N ALA A 63 2.095 5.782 -9.786 1.00 0.00 N ATOM 449 CA ALA A 63 1.646 4.485 -10.259 1.00 0.00 C ATOM 450 C ALA A 63 2.864 3.565 -10.333 1.00 0.00 C ATOM 451 O ALA A 63 3.947 4.025 -10.711 1.00 0.00 O ATOM 452 CB ALA A 63 1.016 4.688 -11.640 1.00 0.00 C ATOM 0 H ALA A 63 2.144 6.485 -10.523 1.00 0.00 H new ATOM 0 HA ALA A 63 0.908 4.035 -9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.667 3.730 -12.025 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.173 5.375 -11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.758 5.104 -12.321 1.00 0.00 H new ATOM 453 N TRP A 64 2.724 2.284 -9.985 1.00 0.00 N ATOM 454 CA TRP A 64 3.850 1.357 -9.922 1.00 0.00 C ATOM 455 C TRP A 64 3.749 0.286 -11.006 1.00 0.00 C ATOM 456 O TRP A 64 4.601 -0.605 -11.064 1.00 0.00 O ATOM 457 CB TRP A 64 3.956 0.789 -8.508 1.00 0.00 C ATOM 458 CG TRP A 64 4.348 1.814 -7.489 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.533 2.605 -6.755 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.699 2.235 -7.167 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.292 3.457 -5.976 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.644 3.269 -6.188 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.968 1.848 -7.632 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.804 3.860 -5.668 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.136 2.461 -7.150 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.058 3.446 -6.150 1.00 0.00 C ATOM 0 H TRP A 64 1.828 1.863 -9.740 1.00 0.00 H new ATOM 0 HA TRP A 64 4.779 1.887 -10.131 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.998 0.353 -8.226 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.688 -0.019 -8.502 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.454 2.575 -6.775 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.903 4.140 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.046 1.066 -8.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.735 4.623 -4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.098 2.175 -7.549 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.961 3.885 -5.752 1.00 0.00 H new ATOM 467 N ASP A 65 2.757 0.409 -11.899 1.00 0.00 N ATOM 468 CA ASP A 65 2.590 -0.426 -13.054 1.00 0.00 C ATOM 469 C ASP A 65 3.929 -0.624 -13.770 1.00 0.00 C ATOM 470 O ASP A 65 4.623 0.335 -14.102 1.00 0.00 O ATOM 471 CB ASP A 65 1.524 0.197 -13.965 1.00 0.00 C ATOM 472 CG ASP A 65 1.925 1.557 -14.515 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.776 2.539 -13.759 1.00 0.00 O ATOM 474 OD2 ASP A 65 2.454 1.634 -15.644 1.00 0.00 O ATOM 0 H ASP A 65 2.034 1.123 -11.817 1.00 0.00 H new ATOM 0 HA ASP A 65 2.248 -1.418 -12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.326 -0.480 -14.796 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.593 0.298 -13.407 1.00 0.00 H new ATOM 475 N GLY A 66 4.352 -1.879 -13.902 1.00 0.00 N ATOM 476 CA GLY A 66 5.576 -2.254 -14.601 1.00 0.00 C ATOM 477 C GLY A 66 6.875 -1.882 -13.873 1.00 0.00 C ATOM 478 O GLY A 66 7.930 -2.401 -14.229 1.00 0.00 O ATOM 0 H GLY A 66 3.844 -2.677 -13.519 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.566 -3.331 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.577 -1.779 -15.582 1.00 0.00 H new ATOM 479 N ARG A 67 6.838 -0.988 -12.878 1.00 0.00 N ATOM 480 CA ARG A 67 8.011 -0.652 -12.077 1.00 0.00 C ATOM 481 C ARG A 67 8.272 -1.767 -11.074 1.00 0.00 C ATOM 482 O ARG A 67 9.426 -2.105 -10.824 1.00 0.00 O ATOM 483 CB ARG A 67 7.808 0.704 -11.388 1.00 0.00 C ATOM 484 CG ARG A 67 7.897 1.828 -12.436 1.00 0.00 C ATOM 485 CD ARG A 67 6.681 2.758 -12.411 1.00 0.00 C ATOM 486 NE ARG A 67 6.337 3.192 -13.777 1.00 0.00 N ATOM 487 CZ ARG A 67 5.064 3.253 -14.199 1.00 0.00 C ATOM 488 NH1 ARG A 67 4.115 3.602 -13.335 1.00 0.00 N ATOM 489 NH2 ARG A 67 4.751 2.937 -15.458 1.00 0.00 N ATOM 0 H ARG A 67 5.995 -0.481 -12.609 1.00 0.00 H new ATOM 0 HA ARG A 67 8.888 -0.561 -12.718 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.838 0.731 -10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.565 0.850 -10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.800 2.413 -12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.991 1.387 -13.428 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.831 2.244 -11.961 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.893 3.628 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 67 7.086 3.453 -14.419 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.360 3.818 -12.369 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.143 3.653 -13.639 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.482 2.646 -16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.781 2.986 -15.770 1.00 0.00 H new ATOM 490 N LEU A 68 7.197 -2.331 -10.520 1.00 0.00 N ATOM 491 CA LEU A 68 7.250 -3.542 -9.717 1.00 0.00 C ATOM 492 C LEU A 68 6.702 -4.700 -10.566 1.00 0.00 C ATOM 493 O LEU A 68 5.848 -4.467 -11.425 1.00 0.00 O ATOM 494 CB LEU A 68 6.431 -3.322 -8.434 1.00 0.00 C ATOM 495 CG LEU A 68 6.892 -2.125 -7.582 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.924 -1.932 -6.410 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.312 -2.284 -7.031 1.00 0.00 C ATOM 0 H LEU A 68 6.256 -1.950 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 68 8.269 -3.787 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.385 -3.178 -8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.481 -4.225 -7.826 1.00 0.00 H new ATOM 0 HG LEU A 68 6.896 -1.256 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.249 -1.085 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.922 -1.741 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.912 -2.832 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.574 -1.406 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.361 -3.172 -6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.014 -2.387 -7.858 1.00 0.00 H new ATOM 498 N ASP A 69 7.187 -5.928 -10.348 1.00 0.00 N ATOM 499 CA ASP A 69 6.643 -7.136 -10.977 1.00 0.00 C ATOM 500 C ASP A 69 5.245 -7.424 -10.434 1.00 0.00 C ATOM 501 O ASP A 69 4.812 -6.852 -9.442 1.00 0.00 O ATOM 502 CB ASP A 69 7.576 -8.332 -10.736 1.00 0.00 C ATOM 503 CG ASP A 69 7.214 -9.627 -11.447 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.292 -10.300 -10.932 1.00 0.00 O ATOM 505 OD2 ASP A 69 7.825 -9.902 -12.499 1.00 0.00 O ATOM 0 H ASP A 69 7.974 -6.112 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 69 6.571 -6.972 -12.052 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.583 -8.046 -11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.609 -8.529 -9.664 1.00 0.00 H new ATOM 506 N GLU A 70 4.553 -8.359 -11.064 1.00 0.00 N ATOM 507 CA GLU A 70 3.232 -8.807 -10.660 1.00 0.00 C ATOM 508 C GLU A 70 3.296 -9.416 -9.259 1.00 0.00 C ATOM 509 O GLU A 70 2.489 -9.082 -8.388 1.00 0.00 O ATOM 510 CB GLU A 70 2.691 -9.828 -11.671 1.00 0.00 C ATOM 511 CG GLU A 70 2.486 -9.218 -13.066 1.00 0.00 C ATOM 512 CD GLU A 70 1.854 -10.206 -14.043 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.050 -11.042 -13.577 1.00 0.00 O ATOM 514 OE2 GLU A 70 2.176 -10.099 -15.246 1.00 0.00 O ATOM 0 H GLU A 70 4.904 -8.840 -11.892 1.00 0.00 H new ATOM 0 HA GLU A 70 2.554 -7.953 -10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.383 -10.667 -11.742 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.743 -10.227 -11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.852 -8.335 -12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.447 -8.885 -13.459 1.00 0.00 H new ATOM 515 N ASP A 71 4.258 -10.316 -9.036 1.00 0.00 N ATOM 516 CA ASP A 71 4.370 -11.016 -7.761 1.00 0.00 C ATOM 517 C ASP A 71 4.713 -10.005 -6.667 1.00 0.00 C ATOM 518 O ASP A 71 4.111 -9.970 -5.597 1.00 0.00 O ATOM 519 CB ASP A 71 5.433 -12.114 -7.863 1.00 0.00 C ATOM 520 CG ASP A 71 5.259 -13.150 -6.769 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.525 -12.886 -5.577 1.00 0.00 O ATOM 522 OD2 ASP A 71 4.849 -14.288 -7.059 1.00 0.00 O ATOM 0 H ASP A 71 4.967 -10.574 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 71 3.423 -11.493 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.368 -12.597 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.426 -11.670 -7.792 1.00 0.00 H new ATOM 523 N GLU A 72 5.667 -9.137 -6.990 1.00 0.00 N ATOM 524 CA GLU A 72 6.134 -8.041 -6.177 1.00 0.00 C ATOM 525 C GLU A 72 4.970 -7.135 -5.749 1.00 0.00 C ATOM 526 O GLU A 72 4.696 -7.006 -4.555 1.00 0.00 O ATOM 527 CB GLU A 72 7.191 -7.340 -7.029 1.00 0.00 C ATOM 528 CG GLU A 72 7.984 -6.320 -6.255 1.00 0.00 C ATOM 529 CD GLU A 72 9.121 -5.743 -7.090 1.00 0.00 C ATOM 530 OE1 GLU A 72 8.996 -5.816 -8.332 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.088 -5.247 -6.476 1.00 0.00 O ATOM 0 H GLU A 72 6.158 -9.192 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 72 6.571 -8.365 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.871 -8.085 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.705 -6.851 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.325 -5.515 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.390 -6.781 -5.355 1.00 0.00 H new ATOM 532 N ILE A 73 4.257 -6.548 -6.716 1.00 0.00 N ATOM 533 CA ILE A 73 3.009 -5.804 -6.518 1.00 0.00 C ATOM 534 C ILE A 73 2.100 -6.568 -5.549 1.00 0.00 C ATOM 535 O ILE A 73 1.670 -6.049 -4.516 1.00 0.00 O ATOM 536 CB ILE A 73 2.289 -5.604 -7.873 1.00 0.00 C ATOM 537 CG1 ILE A 73 2.991 -4.626 -8.825 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.834 -5.169 -7.701 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.700 -3.143 -8.585 1.00 0.00 C ATOM 0 H ILE A 73 4.544 -6.579 -7.694 1.00 0.00 H new ATOM 0 HA ILE A 73 3.240 -4.826 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 73 2.326 -6.592 -8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.067 -4.783 -8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.704 -4.873 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.374 -5.042 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.291 -5.930 -7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.798 -4.224 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.246 -2.543 -9.313 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.631 -2.960 -8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.015 -2.869 -7.578 1.00 0.00 H new ATOM 540 N ALA A 74 1.788 -7.817 -5.890 1.00 0.00 N ATOM 541 CA ALA A 74 0.919 -8.639 -5.060 1.00 0.00 C ATOM 542 C ALA A 74 1.473 -8.789 -3.636 1.00 0.00 C ATOM 543 O ALA A 74 0.704 -8.821 -2.673 1.00 0.00 O ATOM 544 CB ALA A 74 0.687 -9.996 -5.728 1.00 0.00 C ATOM 0 H ALA A 74 2.125 -8.279 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.044 -8.137 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.036 -10.604 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.218 -9.847 -6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.642 -10.505 -5.860 1.00 0.00 H new ATOM 545 N GLY A 75 2.798 -8.859 -3.487 1.00 0.00 N ATOM 546 CA GLY A 75 3.451 -9.072 -2.214 1.00 0.00 C ATOM 547 C GLY A 75 3.312 -7.815 -1.377 1.00 0.00 C ATOM 548 O GLY A 75 2.913 -7.880 -0.218 1.00 0.00 O ATOM 0 H GLY A 75 3.449 -8.766 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.003 -9.921 -1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.504 -9.310 -2.365 1.00 0.00 H new ATOM 549 N VAL A 76 3.622 -6.657 -1.965 1.00 0.00 N ATOM 550 CA VAL A 76 3.514 -5.391 -1.261 1.00 0.00 C ATOM 551 C VAL A 76 2.067 -5.171 -0.823 1.00 0.00 C ATOM 552 O VAL A 76 1.828 -4.803 0.328 1.00 0.00 O ATOM 553 CB VAL A 76 4.141 -4.246 -2.079 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.198 -3.478 -3.008 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.721 -3.193 -1.126 1.00 0.00 C ATOM 0 H VAL A 76 3.949 -6.577 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 76 4.101 -5.411 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 76 4.878 -4.754 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.755 -2.699 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.767 -4.164 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.400 -3.023 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.165 -2.383 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.926 -2.795 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.486 -3.652 -0.499 1.00 0.00 H new ATOM 556 N ALA A 77 1.097 -5.455 -1.704 1.00 0.00 N ATOM 557 CA ALA A 77 -0.301 -5.409 -1.317 1.00 0.00 C ATOM 558 C ALA A 77 -0.589 -6.327 -0.125 1.00 0.00 C ATOM 559 O ALA A 77 -1.100 -5.865 0.893 1.00 0.00 O ATOM 560 CB ALA A 77 -1.186 -5.753 -2.511 1.00 0.00 C ATOM 0 H ALA A 77 1.262 -5.715 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.532 -4.394 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.233 -5.716 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.012 -5.034 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.946 -6.755 -2.865 1.00 0.00 H new ATOM 561 N ALA A 78 -0.266 -7.620 -0.241 1.00 0.00 N ATOM 562 CA ALA A 78 -0.467 -8.588 0.835 1.00 0.00 C ATOM 563 C ALA A 78 0.152 -8.115 2.156 1.00 0.00 C ATOM 564 O ALA A 78 -0.501 -8.147 3.197 1.00 0.00 O ATOM 565 CB ALA A 78 0.093 -9.951 0.417 1.00 0.00 C ATOM 0 H ALA A 78 0.142 -8.022 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.539 -8.684 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.059 -10.669 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.422 -10.296 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.159 -9.858 0.210 1.00 0.00 H new ATOM 566 N TYR A 79 1.407 -7.665 2.120 1.00 0.00 N ATOM 567 CA TYR A 79 2.118 -7.166 3.288 1.00 0.00 C ATOM 568 C TYR A 79 1.373 -5.997 3.911 1.00 0.00 C ATOM 569 O TYR A 79 1.064 -6.033 5.098 1.00 0.00 O ATOM 570 CB TYR A 79 3.528 -6.719 2.889 1.00 0.00 C ATOM 571 CG TYR A 79 4.325 -6.073 4.010 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.665 -6.817 5.154 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.637 -4.700 3.955 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.325 -6.196 6.231 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.337 -4.093 5.014 1.00 0.00 C ATOM 576 CZ TYR A 79 5.691 -4.842 6.146 1.00 0.00 C ATOM 577 OH TYR A 79 6.399 -4.258 7.155 1.00 0.00 O ATOM 0 H TYR A 79 1.962 -7.638 1.265 1.00 0.00 H new ATOM 0 HA TYR A 79 2.183 -7.971 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.079 -7.584 2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.451 -6.014 2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.419 -7.867 5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.339 -4.113 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.550 -6.761 7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.602 -3.048 4.955 1.00 0.00 H new ATOM 0 HH TYR A 79 6.569 -3.318 6.934 1.00 0.00 H new ATOM 578 N VAL A 80 1.089 -4.959 3.123 1.00 0.00 N ATOM 579 CA VAL A 80 0.303 -3.830 3.573 1.00 0.00 C ATOM 580 C VAL A 80 -0.987 -4.338 4.225 1.00 0.00 C ATOM 581 O VAL A 80 -1.332 -3.897 5.318 1.00 0.00 O ATOM 582 CB VAL A 80 0.065 -2.896 2.376 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.121 -1.973 2.624 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.312 -2.044 2.106 1.00 0.00 C ATOM 0 H VAL A 80 1.402 -4.886 2.155 1.00 0.00 H new ATOM 0 HA VAL A 80 0.824 -3.251 4.336 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.149 -3.522 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.264 -1.324 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.019 -2.570 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.929 -1.364 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.127 -1.388 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.539 -1.442 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.157 -2.696 1.885 1.00 0.00 H new ATOM 585 N TYR A 81 -1.685 -5.277 3.581 1.00 0.00 N ATOM 586 CA TYR A 81 -2.913 -5.839 4.118 1.00 0.00 C ATOM 587 C TYR A 81 -2.681 -6.435 5.507 1.00 0.00 C ATOM 588 O TYR A 81 -3.383 -6.076 6.445 1.00 0.00 O ATOM 589 CB TYR A 81 -3.518 -6.863 3.152 1.00 0.00 C ATOM 590 CG TYR A 81 -5.010 -7.058 3.338 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.503 -7.861 4.384 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.911 -6.387 2.492 1.00 0.00 C ATOM 593 CE1 TYR A 81 -6.889 -7.957 4.604 1.00 0.00 C ATOM 594 CE2 TYR A 81 -7.292 -6.497 2.706 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.784 -7.246 3.787 1.00 0.00 C ATOM 596 OH TYR A 81 -9.123 -7.309 4.032 1.00 0.00 O ATOM 0 H TYR A 81 -1.411 -5.663 2.678 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.637 -5.032 4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.326 -6.543 2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.014 -7.820 3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.817 -8.403 5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.538 -5.786 1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.266 -8.579 5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.981 -6.003 2.036 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.582 -6.609 3.523 1.00 0.00 H new ATOM 597 N ASP A 82 -1.701 -7.331 5.645 1.00 0.00 N ATOM 598 CA ASP A 82 -1.347 -7.959 6.916 1.00 0.00 C ATOM 599 C ASP A 82 -1.048 -6.906 7.993 1.00 0.00 C ATOM 600 O ASP A 82 -1.666 -6.849 9.062 1.00 0.00 O ATOM 601 CB ASP A 82 -0.104 -8.841 6.710 1.00 0.00 C ATOM 602 CG ASP A 82 0.339 -9.407 8.047 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.491 -10.049 8.726 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.462 -9.090 8.498 1.00 0.00 O ATOM 0 H ASP A 82 -1.124 -7.644 4.864 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.192 -8.561 7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.330 -9.651 6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.701 -8.256 6.265 1.00 0.00 H new ATOM 605 N GLN A 83 -0.051 -6.086 7.673 1.00 0.00 N ATOM 606 CA GLN A 83 0.536 -5.034 8.477 1.00 0.00 C ATOM 607 C GLN A 83 -0.559 -4.082 8.980 1.00 0.00 C ATOM 608 O GLN A 83 -0.576 -3.726 10.160 1.00 0.00 O ATOM 609 CB GLN A 83 1.603 -4.386 7.569 1.00 0.00 C ATOM 610 CG GLN A 83 2.528 -3.351 8.173 1.00 0.00 C ATOM 611 CD GLN A 83 3.394 -3.862 9.304 1.00 0.00 C ATOM 612 OE1 GLN A 83 2.862 -3.749 10.506 1.00 0.00 O flip ATOM 613 NE2 GLN A 83 4.523 -4.305 9.108 1.00 0.00 N flip ATOM 0 H GLN A 83 0.403 -6.152 6.762 1.00 0.00 H new ATOM 0 HA GLN A 83 1.015 -5.385 9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.221 -5.185 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.087 -3.921 6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 83 3.174 -2.958 7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.929 -2.518 8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.887 -4.371 8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.096 -4.607 9.896 1.00 0.00 H new ATOM 614 N ALA A 84 -1.492 -3.715 8.094 1.00 0.00 N ATOM 615 CA ALA A 84 -2.651 -2.886 8.393 1.00 0.00 C ATOM 616 C ALA A 84 -3.698 -3.633 9.220 1.00 0.00 C ATOM 617 O ALA A 84 -4.200 -3.089 10.202 1.00 0.00 O ATOM 618 CB ALA A 84 -3.281 -2.394 7.086 1.00 0.00 C ATOM 0 H ALA A 84 -1.453 -4.001 7.116 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.307 -2.040 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.148 -1.774 7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.551 -1.808 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.593 -3.250 6.488 1.00 0.00 H new ATOM 619 N ALA A 85 -4.057 -4.855 8.813 1.00 0.00 N ATOM 620 CA ALA A 85 -5.148 -5.635 9.390 1.00 0.00 C ATOM 621 C ALA A 85 -4.971 -5.773 10.894 1.00 0.00 C ATOM 622 O ALA A 85 -5.881 -5.468 11.661 1.00 0.00 O ATOM 623 CB ALA A 85 -5.226 -7.028 8.751 1.00 0.00 C ATOM 0 H ALA A 85 -3.581 -5.339 8.052 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.078 -5.104 9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.047 -7.588 9.199 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.397 -6.928 7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.289 -7.559 8.921 1.00 0.00 H new ATOM 624 N GLY A 86 -3.784 -6.216 11.311 1.00 0.00 N ATOM 625 CA GLY A 86 -3.480 -6.370 12.726 1.00 0.00 C ATOM 626 C GLY A 86 -3.102 -5.050 13.400 1.00 0.00 C ATOM 627 O GLY A 86 -2.707 -5.071 14.561 1.00 0.00 O ATOM 0 H GLY A 86 -3.020 -6.473 10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.345 -6.797 13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.660 -7.079 12.841 1.00 0.00 H new ATOM 628 N ASN A 87 -3.157 -3.925 12.672 1.00 0.00 N ATOM 629 CA ASN A 87 -2.541 -2.655 13.037 1.00 0.00 C ATOM 630 C ASN A 87 -1.182 -2.889 13.696 1.00 0.00 C ATOM 631 O ASN A 87 -0.935 -2.458 14.820 1.00 0.00 O ATOM 632 CB ASN A 87 -3.492 -1.794 13.882 1.00 0.00 C ATOM 633 CG ASN A 87 -3.065 -0.325 13.878 1.00 0.00 C ATOM 634 OD1 ASN A 87 -3.719 0.510 13.260 1.00 0.00 O ATOM 635 ND2 ASN A 87 -1.965 0.016 14.538 1.00 0.00 N ATOM 0 H ASN A 87 -3.652 -3.880 11.781 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.352 -2.080 12.131 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.507 -1.881 13.493 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.510 -2.167 14.906 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.650 0.986 14.537 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.435 -0.692 15.046 1.00 0.00 H new ATOM 636 N LYS A 88 -0.297 -3.584 12.981 1.00 0.00 N ATOM 637 CA LYS A 88 1.032 -3.914 13.462 1.00 0.00 C ATOM 638 C LYS A 88 2.040 -2.814 13.102 1.00 0.00 C ATOM 639 O LYS A 88 3.245 -3.067 13.140 1.00 0.00 O ATOM 640 CB LYS A 88 1.402 -5.272 12.849 1.00 0.00 C ATOM 641 CG LYS A 88 0.547 -6.390 13.440 1.00 0.00 C ATOM 642 CD LYS A 88 0.953 -7.749 12.860 1.00 0.00 C ATOM 643 CE LYS A 88 0.254 -8.013 11.522 1.00 0.00 C ATOM 644 NZ LYS A 88 0.646 -9.302 10.921 1.00 0.00 N ATOM 0 H LYS A 88 -0.491 -3.934 12.043 1.00 0.00 H new ATOM 0 HA LYS A 88 1.052 -3.981 14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.265 -5.237 11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.456 -5.481 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.658 -6.404 14.524 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.505 -6.199 13.230 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.034 -7.779 12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.700 -8.539 13.567 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.826 -8.000 11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.490 -7.206 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.170 -9.717 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.420 -9.148 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.965 -9.951 11.669 1.00 0.00 H new ATOM 645 N TRP A 89 1.558 -1.646 12.662 1.00 0.00 N ATOM 646 CA TRP A 89 2.383 -0.472 12.429 1.00 0.00 C ATOM 647 C TRP A 89 2.941 0.022 13.765 1.00 0.00 C ATOM 648 O TRP A 89 2.167 -0.018 14.749 1.00 0.00 O ATOM 649 CB TRP A 89 1.530 0.627 11.783 1.00 0.00 C ATOM 650 CG TRP A 89 1.000 0.326 10.416 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.306 0.278 10.074 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.742 0.053 9.187 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.418 0.018 8.728 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.810 -0.125 8.124 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.108 -0.105 8.868 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.204 -0.403 6.806 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.509 -0.441 7.562 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.571 -0.527 6.518 1.00 0.00 C ATOM 659 OXT TRP A 89 4.116 0.447 13.772 1.00 0.00 O ATOM 0 H TRP A 89 0.570 -1.496 12.457 1.00 0.00 H new ATOM 0 HA TRP A 89 3.208 -0.724 11.763 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.686 0.838 12.440 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.127 1.537 11.728 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.134 0.422 10.752 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.308 -0.060 8.235 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.855 0.034 9.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.466 -0.520 6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.552 -0.636 7.359 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.901 -0.687 5.502 1.00 0.00 H new TER 660 TRP A 89 HETATM 661 FE HEM A 90 0.784 5.286 -1.239 1.00 0.00 FE HETATM 662 CHA HEM A 90 -2.557 6.051 -0.613 1.00 0.00 C HETATM 663 CHB HEM A 90 0.158 1.953 -0.655 1.00 0.00 C HETATM 664 CHC HEM A 90 3.962 4.525 -2.394 1.00 0.00 C HETATM 665 CHD HEM A 90 1.530 8.672 -1.355 1.00 0.00 C HETATM 666 NA HEM A 90 -0.909 4.191 -0.782 1.00 0.00 N HETATM 667 C1A HEM A 90 -2.154 4.713 -0.568 1.00 0.00 C HETATM 668 C2A HEM A 90 -3.019 3.618 -0.196 1.00 0.00 C HETATM 669 C3A HEM A 90 -2.266 2.469 -0.209 1.00 0.00 C HETATM 670 C4A HEM A 90 -0.915 2.841 -0.563 1.00 0.00 C HETATM 671 CMA HEM A 90 -2.793 1.091 0.106 1.00 0.00 C HETATM 672 CAA HEM A 90 -4.433 3.734 0.316 1.00 0.00 C HETATM 673 CBA HEM A 90 -4.453 4.101 1.802 1.00 0.00 C HETATM 674 CGA HEM A 90 -5.857 4.366 2.323 1.00 0.00 C HETATM 675 O1A HEM A 90 -6.810 3.840 1.713 1.00 0.00 O HETATM 676 O2A HEM A 90 -5.946 5.134 3.305 1.00 0.00 O HETATM 677 NB HEM A 90 1.869 3.549 -1.475 1.00 0.00 N HETATM 678 C1B HEM A 90 1.416 2.308 -1.142 1.00 0.00 C HETATM 679 C2B HEM A 90 2.490 1.374 -1.389 1.00 0.00 C HETATM 680 C3B HEM A 90 3.523 2.079 -1.974 1.00 0.00 C HETATM 681 C4B HEM A 90 3.140 3.473 -1.980 1.00 0.00 C HETATM 682 CMB HEM A 90 2.510 -0.090 -1.003 1.00 0.00 C HETATM 683 CAB HEM A 90 4.845 1.497 -2.432 1.00 0.00 C HETATM 684 CBB HEM A 90 4.720 0.597 -3.669 1.00 0.00 C HETATM 685 NC HEM A 90 2.434 6.401 -1.826 1.00 0.00 N HETATM 686 C1C HEM A 90 3.616 5.867 -2.246 1.00 0.00 C HETATM 687 C2C HEM A 90 4.538 6.956 -2.456 1.00 0.00 C HETATM 688 C3C HEM A 90 3.890 8.119 -2.096 1.00 0.00 C HETATM 689 C4C HEM A 90 2.529 7.762 -1.742 1.00 0.00 C HETATM 690 CMC HEM A 90 6.000 6.798 -2.806 1.00 0.00 C HETATM 691 CAC HEM A 90 4.535 9.475 -1.886 1.00 0.00 C HETATM 692 CBC HEM A 90 5.052 10.158 -3.154 1.00 0.00 C HETATM 693 ND HEM A 90 -0.330 7.058 -1.044 1.00 0.00 N HETATM 694 C1D HEM A 90 0.200 8.311 -1.104 1.00 0.00 C HETATM 695 C2D HEM A 90 -0.885 9.244 -0.888 1.00 0.00 C HETATM 696 C3D HEM A 90 -2.051 8.507 -0.815 1.00 0.00 C HETATM 697 C4D HEM A 90 -1.672 7.114 -0.812 1.00 0.00 C HETATM 698 CMD HEM A 90 -0.763 10.744 -0.738 1.00 0.00 C HETATM 699 CAD HEM A 90 -3.475 9.024 -0.879 1.00 0.00 C HETATM 700 CBD HEM A 90 -4.143 8.645 -2.207 1.00 0.00 C HETATM 701 CGD HEM A 90 -5.569 9.162 -2.390 1.00 0.00 C HETATM 702 O1D HEM A 90 -6.415 8.367 -2.871 1.00 0.00 O HETATM 703 O2D HEM A 90 -5.767 10.364 -2.117 1.00 0.00 O HETATM 0 HMA1 HEM A 90 -3.621 1.170 0.810 1.00 0.00 H new HETATM 0 HMA2 HEM A 90 -1.998 0.489 0.547 1.00 0.00 H new HETATM 0 HMA3 HEM A 90 -3.141 0.616 -0.811 1.00 0.00 H new HETATM 0 HMB1 HEM A 90 3.116 -0.646 -1.718 1.00 0.00 H new HETATM 0 HMB2 HEM A 90 1.493 -0.481 -1.008 1.00 0.00 H new HETATM 0 HMB3 HEM A 90 2.935 -0.197 -0.005 1.00 0.00 H new HETATM 0 HMC1 HEM A 90 6.325 7.649 -3.404 1.00 0.00 H new HETATM 0 HMC2 HEM A 90 6.140 5.880 -3.376 1.00 0.00 H new HETATM 0 HMC3 HEM A 90 6.590 6.751 -1.891 1.00 0.00 H new HETATM 0 HMD1 HEM A 90 -1.669 11.222 -1.110 1.00 0.00 H new HETATM 0 HMD2 HEM A 90 0.095 11.098 -1.310 1.00 0.00 H new HETATM 0 HMD3 HEM A 90 -0.626 10.995 0.314 1.00 0.00 H new HETATM 0 HBB1 HEM A 90 5.607 0.122 -4.089 1.00 0.00 H new HETATM 0 HBB2 HEM A 90 3.745 0.433 -4.127 1.00 0.00 H new HETATM 0 HBC1 HEM A 90 5.529 11.136 -3.090 1.00 0.00 H new HETATM 0 HBC2 HEM A 90 4.943 9.667 -4.121 1.00 0.00 H new HETATM 0 HBA1 HEM A 90 -3.838 4.986 1.962 1.00 0.00 H new HETATM 0 HBA2 HEM A 90 -4.003 3.292 2.378 1.00 0.00 H new HETATM 0 HAA1 HEM A 90 -4.957 2.790 0.164 1.00 0.00 H new HETATM 0 HAA2 HEM A 90 -4.969 4.491 -0.256 1.00 0.00 H new HETATM 0 HBD1 HEM A 90 -4.154 7.558 -2.292 1.00 0.00 H new HETATM 0 HBD2 HEM A 90 -3.529 9.023 -3.025 1.00 0.00 H new HETATM 0 HAD1 HEM A 90 -3.477 10.108 -0.764 1.00 0.00 H new HETATM 0 HAD2 HEM A 90 -4.051 8.615 -0.049 1.00 0.00 H new HETATM 0 HHA HEM A 90 -3.606 6.275 -0.488 1.00 0.00 H new HETATM 0 HHB HEM A 90 0.006 0.934 -0.331 1.00 0.00 H new HETATM 0 HHC HEM A 90 4.911 4.286 -2.851 1.00 0.00 H new HETATM 0 HHD HEM A 90 1.804 9.711 -1.245 1.00 0.00 H new HETATM 0 HAB HEM A 90 5.792 1.698 -1.932 1.00 0.00 H new HETATM 0 HAC HEM A 90 4.624 9.932 -0.900 1.00 0.00 H new