USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=13 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 33 GLN : amide:sc= 1.04 K(o=2.1,f=-5!) USER MOD Set 1.2: A 87 ASN : amide:sc= 1.02 K(o=2.1,f=-6.3) USER MOD Set 2.1: A 53 GLN : amide:sc= 1.78 K(o=5.1,f=-14!) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -154:sc= 3.35 (180deg=1.04) USER MOD Single : A 1 GLU N :NH3+ 162:sc= 0.224 (180deg=-0.22!) USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= 0.926 (180deg=-0.0379!) USER MOD Single : A 14 ASN : amide:sc= 1.04 K(o=1,f=0.33) USER MOD Single : A 24 ASN : amide:sc= 2.29 K(o=2.3,f=-9.7!) USER MOD Single : A 25 ASN : amide:sc= 0.939 K(o=0.94,f=-0.0042) USER MOD Single : A 30 HIS : no HE2:sc= -1.55 K(o=-1.5,f=-5.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0683 USER MOD Single : A 34 LYS NZ :NH3+ -119:sc= 0.917 (180deg=-3.03!) USER MOD Single : A 39 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.08) USER MOD Single : A 46 ASN : amide:sc= 1.09 K(o=1.1,f=-0.011) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.12 K(o=1.1,f=-0.19) USER MOD Single : A 61 MET CE :methyl -175:sc= -0.102 (180deg=-0.127) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -12:sc= 1.19 USER MOD Single : A 83 GLN : amide:sc= 0.759 K(o=0.76,f=-0.038) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= -0.576! (180deg=-1.27!) USER MOD Single : A 90 HEM CMA :methyl -30:sc= -0.395 (180deg=-0.737) USER MOD Single : A 90 HEM CMB :methyl 150:sc= -0.781 (180deg=-0.781) USER MOD Single : A 90 HEM CMC :methyl 150:sc= -0.8 (180deg=-0.8) USER MOD Single : A 90 HEM CMD :methyl -30:sc= -1.13 (180deg=-1.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.412 -15.568 -5.027 1.00 0.00 N ATOM 2 CA GLU A 1 4.440 -16.141 -4.083 1.00 0.00 C ATOM 3 C GLU A 1 3.639 -15.078 -3.310 1.00 0.00 C ATOM 4 O GLU A 1 3.037 -15.418 -2.295 1.00 0.00 O ATOM 5 CB GLU A 1 5.090 -17.136 -3.101 1.00 0.00 C ATOM 6 CG GLU A 1 6.246 -18.010 -3.628 1.00 0.00 C ATOM 7 CD GLU A 1 5.998 -18.683 -4.973 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.957 -17.916 -5.960 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.871 -19.923 -4.995 1.00 0.00 O ATOM 0 H1 GLU A 1 6.114 -16.291 -5.284 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.917 -15.247 -5.883 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.893 -14.760 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 1 3.734 -16.687 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.460 -16.570 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.309 -17.800 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.139 -17.390 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.461 -18.782 -2.889 1.00 0.00 H new ATOM 10 N ALA A 2 3.635 -13.809 -3.743 1.00 0.00 N ATOM 11 CA ALA A 2 3.043 -12.688 -3.011 1.00 0.00 C ATOM 12 C ALA A 2 3.420 -12.719 -1.522 1.00 0.00 C ATOM 13 O ALA A 2 2.564 -12.581 -0.649 1.00 0.00 O ATOM 14 CB ALA A 2 1.525 -12.668 -3.225 1.00 0.00 C ATOM 0 H ALA A 2 4.053 -13.531 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 2 3.452 -11.759 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.091 -11.831 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.309 -12.557 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.094 -13.601 -2.862 1.00 0.00 H new ATOM 15 N ASP A 3 4.711 -12.915 -1.239 1.00 0.00 N ATOM 16 CA ASP A 3 5.208 -13.075 0.121 1.00 0.00 C ATOM 17 C ASP A 3 5.189 -11.742 0.882 1.00 0.00 C ATOM 18 O ASP A 3 5.307 -10.660 0.304 1.00 0.00 O ATOM 19 CB ASP A 3 6.588 -13.752 0.094 1.00 0.00 C ATOM 20 CG ASP A 3 7.392 -13.527 1.368 1.00 0.00 C ATOM 21 OD1 ASP A 3 6.830 -13.692 2.474 1.00 0.00 O ATOM 22 OD2 ASP A 3 8.546 -13.083 1.221 1.00 0.00 O ATOM 0 H ASP A 3 5.439 -12.967 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 3 4.542 -13.733 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.457 -14.823 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.154 -13.374 -0.757 1.00 0.00 H new ATOM 23 N LEU A 4 5.047 -11.850 2.201 1.00 0.00 N ATOM 24 CA LEU A 4 4.997 -10.748 3.139 1.00 0.00 C ATOM 25 C LEU A 4 6.401 -10.204 3.393 1.00 0.00 C ATOM 26 O LEU A 4 6.553 -8.998 3.560 1.00 0.00 O ATOM 27 CB LEU A 4 4.347 -11.196 4.451 1.00 0.00 C ATOM 28 CG LEU A 4 2.994 -11.904 4.271 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.399 -12.144 5.660 1.00 0.00 C ATOM 30 CD2 LEU A 4 1.988 -11.105 3.434 1.00 0.00 C ATOM 0 H LEU A 4 4.960 -12.757 2.660 1.00 0.00 H new ATOM 0 HA LEU A 4 4.391 -9.950 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.030 -11.867 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.207 -10.325 5.091 1.00 0.00 H new ATOM 0 HG LEU A 4 3.180 -12.833 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.437 -12.646 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.076 -12.768 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.260 -11.189 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.058 -11.667 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.792 -10.148 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.399 -10.932 2.439 1.00 0.00 H new ATOM 31 N ALA A 5 7.433 -11.056 3.434 1.00 0.00 N ATOM 32 CA ALA A 5 8.803 -10.581 3.630 1.00 0.00 C ATOM 33 C ALA A 5 9.301 -9.876 2.367 1.00 0.00 C ATOM 34 O ALA A 5 9.862 -8.787 2.453 1.00 0.00 O ATOM 35 CB ALA A 5 9.722 -11.729 4.056 1.00 0.00 C ATOM 0 H ALA A 5 7.345 -12.067 3.335 1.00 0.00 H new ATOM 0 HA ALA A 5 8.815 -9.852 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.735 -11.352 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.361 -12.156 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.725 -12.498 3.284 1.00 0.00 H new ATOM 36 N LEU A 6 9.053 -10.454 1.191 1.00 0.00 N ATOM 37 CA LEU A 6 9.197 -9.801 -0.093 1.00 0.00 C ATOM 38 C LEU A 6 8.459 -8.461 -0.043 1.00 0.00 C ATOM 39 O LEU A 6 9.061 -7.406 -0.238 1.00 0.00 O ATOM 40 CB LEU A 6 8.628 -10.752 -1.159 1.00 0.00 C ATOM 41 CG LEU A 6 8.620 -10.155 -2.567 1.00 0.00 C ATOM 42 CD1 LEU A 6 10.030 -10.100 -3.167 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.695 -10.970 -3.478 1.00 0.00 C ATOM 0 H LEU A 6 8.737 -11.421 1.113 1.00 0.00 H new ATOM 0 HA LEU A 6 10.237 -9.589 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.215 -11.670 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.610 -11.026 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 6 8.249 -9.133 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.983 -9.670 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.670 -9.483 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.441 -11.108 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.696 -10.537 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.049 -12.000 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.682 -10.953 -3.076 1.00 0.00 H new ATOM 44 N GLY A 7 7.157 -8.500 0.254 1.00 0.00 N ATOM 45 CA GLY A 7 6.342 -7.308 0.406 1.00 0.00 C ATOM 46 C GLY A 7 6.999 -6.275 1.320 1.00 0.00 C ATOM 47 O GLY A 7 7.054 -5.096 0.983 1.00 0.00 O ATOM 0 H GLY A 7 6.642 -9.369 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.164 -6.864 -0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.369 -7.584 0.812 1.00 0.00 H new ATOM 48 N LYS A 8 7.530 -6.701 2.466 1.00 0.00 N ATOM 49 CA LYS A 8 8.249 -5.821 3.359 1.00 0.00 C ATOM 50 C LYS A 8 9.449 -5.203 2.645 1.00 0.00 C ATOM 51 O LYS A 8 9.582 -3.988 2.616 1.00 0.00 O ATOM 52 CB LYS A 8 8.676 -6.564 4.631 1.00 0.00 C ATOM 53 CG LYS A 8 9.356 -5.535 5.529 1.00 0.00 C ATOM 54 CD LYS A 8 9.693 -6.067 6.923 1.00 0.00 C ATOM 55 CE LYS A 8 9.883 -4.928 7.939 1.00 0.00 C ATOM 56 NZ LYS A 8 10.542 -3.728 7.377 1.00 0.00 N ATOM 0 H LYS A 8 7.469 -7.665 2.792 1.00 0.00 H new ATOM 0 HA LYS A 8 7.583 -5.012 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.813 -7.004 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.357 -7.381 4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.273 -5.194 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.706 -4.666 5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.895 -6.727 7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.603 -6.665 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.909 -4.643 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.474 -5.297 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.895 -3.131 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.338 -4.019 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.857 -3.190 6.809 1.00 0.00 H new ATOM 57 N ALA A 9 10.338 -6.030 2.103 1.00 0.00 N ATOM 58 CA ALA A 9 11.530 -5.573 1.396 1.00 0.00 C ATOM 59 C ALA A 9 11.178 -4.503 0.357 1.00 0.00 C ATOM 60 O ALA A 9 11.836 -3.465 0.279 1.00 0.00 O ATOM 61 CB ALA A 9 12.248 -6.764 0.755 1.00 0.00 C ATOM 0 H ALA A 9 10.250 -7.045 2.143 1.00 0.00 H new ATOM 0 HA ALA A 9 12.208 -5.112 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.136 -6.413 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.541 -7.472 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.579 -7.255 0.049 1.00 0.00 H new ATOM 62 N VAL A 10 10.119 -4.735 -0.423 1.00 0.00 N ATOM 63 CA VAL A 10 9.604 -3.744 -1.348 1.00 0.00 C ATOM 64 C VAL A 10 9.195 -2.488 -0.580 1.00 0.00 C ATOM 65 O VAL A 10 9.679 -1.400 -0.890 1.00 0.00 O ATOM 66 CB VAL A 10 8.423 -4.338 -2.129 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.817 -3.302 -3.075 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.850 -5.545 -2.964 1.00 0.00 C ATOM 0 H VAL A 10 9.602 -5.614 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 10 10.376 -3.463 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 10 7.687 -4.649 -1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.982 -3.748 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.461 -2.448 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.575 -2.971 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.988 -5.938 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.616 -5.241 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.251 -6.318 -2.308 1.00 0.00 H new ATOM 69 N PHE A 11 8.303 -2.641 0.401 1.00 0.00 N ATOM 70 CA PHE A 11 7.754 -1.561 1.208 1.00 0.00 C ATOM 71 C PHE A 11 8.855 -0.637 1.719 1.00 0.00 C ATOM 72 O PHE A 11 8.887 0.554 1.404 1.00 0.00 O ATOM 73 CB PHE A 11 6.940 -2.142 2.369 1.00 0.00 C ATOM 74 CG PHE A 11 6.259 -1.093 3.216 1.00 0.00 C ATOM 75 CD1 PHE A 11 5.044 -0.534 2.787 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.904 -0.582 4.359 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.519 0.589 3.446 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.343 0.502 5.053 1.00 0.00 C ATOM 79 CZ PHE A 11 5.161 1.101 4.586 1.00 0.00 C ATOM 0 H PHE A 11 7.933 -3.555 0.661 1.00 0.00 H new ATOM 0 HA PHE A 11 7.093 -0.961 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.186 -2.820 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.599 -2.736 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.514 -0.967 1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.829 -1.023 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.620 1.060 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.821 0.876 5.947 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.746 1.954 5.103 1.00 0.00 H new ATOM 80 N ASP A 12 9.764 -1.228 2.491 1.00 0.00 N ATOM 81 CA ASP A 12 10.939 -0.623 3.078 1.00 0.00 C ATOM 82 C ASP A 12 11.691 0.246 2.064 1.00 0.00 C ATOM 83 O ASP A 12 12.173 1.319 2.420 1.00 0.00 O ATOM 84 CB ASP A 12 11.841 -1.749 3.604 1.00 0.00 C ATOM 85 CG ASP A 12 11.321 -2.493 4.831 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.141 -2.333 5.222 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.110 -3.255 5.435 1.00 0.00 O ATOM 0 H ASP A 12 9.685 -2.215 2.736 1.00 0.00 H new ATOM 0 HA ASP A 12 10.640 0.035 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.995 -2.471 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.817 -1.326 3.844 1.00 0.00 H new ATOM 88 N GLY A 13 11.813 -0.206 0.810 1.00 0.00 N ATOM 89 CA GLY A 13 12.562 0.518 -0.204 1.00 0.00 C ATOM 90 C GLY A 13 11.714 1.602 -0.868 1.00 0.00 C ATOM 91 O GLY A 13 12.184 2.713 -1.097 1.00 0.00 O ATOM 0 H GLY A 13 11.397 -1.077 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.443 0.972 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.918 -0.180 -0.961 1.00 0.00 H new ATOM 92 N ASN A 14 10.483 1.248 -1.243 1.00 0.00 N ATOM 93 CA ASN A 14 9.708 1.964 -2.250 1.00 0.00 C ATOM 94 C ASN A 14 8.616 2.830 -1.631 1.00 0.00 C ATOM 95 O ASN A 14 8.299 3.902 -2.144 1.00 0.00 O ATOM 96 CB ASN A 14 9.056 0.967 -3.218 1.00 0.00 C ATOM 97 CG ASN A 14 10.078 0.210 -4.057 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.381 0.599 -5.179 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.614 -0.884 -3.523 1.00 0.00 N ATOM 0 H ASN A 14 9.993 0.445 -0.849 1.00 0.00 H new ATOM 0 HA ASN A 14 10.402 2.616 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.458 0.254 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.373 1.501 -3.879 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.299 -1.426 -4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.340 -1.181 -2.586 1.00 0.00 H new ATOM 100 N CYS A 15 7.986 2.323 -0.572 1.00 0.00 N ATOM 101 CA CYS A 15 6.717 2.818 -0.060 1.00 0.00 C ATOM 102 C CYS A 15 6.978 3.656 1.188 1.00 0.00 C ATOM 103 O CYS A 15 6.436 4.752 1.334 1.00 0.00 O ATOM 104 CB CYS A 15 5.812 1.652 0.249 1.00 0.00 C ATOM 105 SG CYS A 15 5.649 0.464 -1.123 1.00 0.00 S ATOM 0 H CYS A 15 8.356 1.538 -0.036 1.00 0.00 H new ATOM 0 HA CYS A 15 6.225 3.444 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.194 1.130 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.823 2.030 0.509 1.00 0.00 H new ATOM 106 N ALA A 16 7.857 3.154 2.064 1.00 0.00 N ATOM 107 CA ALA A 16 8.333 3.831 3.266 1.00 0.00 C ATOM 108 C ALA A 16 8.696 5.295 2.997 1.00 0.00 C ATOM 109 O ALA A 16 8.471 6.150 3.852 1.00 0.00 O ATOM 110 CB ALA A 16 9.537 3.070 3.823 1.00 0.00 C ATOM 0 H ALA A 16 8.269 2.229 1.946 1.00 0.00 H new ATOM 0 HA ALA A 16 7.527 3.838 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.899 3.569 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.241 2.050 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.330 3.047 3.076 1.00 0.00 H new ATOM 111 N ALA A 17 9.225 5.579 1.801 1.00 0.00 N ATOM 112 CA ALA A 17 9.495 6.924 1.305 1.00 0.00 C ATOM 113 C ALA A 17 8.386 7.916 1.673 1.00 0.00 C ATOM 114 O ALA A 17 8.679 9.030 2.101 1.00 0.00 O ATOM 115 CB ALA A 17 9.679 6.874 -0.215 1.00 0.00 C ATOM 0 H ALA A 17 9.484 4.852 1.134 1.00 0.00 H new ATOM 0 HA ALA A 17 10.408 7.280 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.881 7.877 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.516 6.220 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.771 6.489 -0.679 1.00 0.00 H new ATOM 116 N CYS A 18 7.123 7.511 1.495 1.00 0.00 N ATOM 117 CA CYS A 18 5.957 8.328 1.812 1.00 0.00 C ATOM 118 C CYS A 18 5.212 7.780 3.031 1.00 0.00 C ATOM 119 O CYS A 18 4.580 8.557 3.744 1.00 0.00 O ATOM 120 CB CYS A 18 5.035 8.412 0.624 1.00 0.00 C ATOM 121 SG CYS A 18 5.814 9.335 -0.734 1.00 0.00 S ATOM 0 H CYS A 18 6.884 6.593 1.121 1.00 0.00 H new ATOM 0 HA CYS A 18 6.306 9.332 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.777 7.408 0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.104 8.900 0.914 1.00 0.00 H new ATOM 122 N HIS A 19 5.250 6.463 3.260 1.00 0.00 N ATOM 123 CA HIS A 19 4.433 5.782 4.260 1.00 0.00 C ATOM 124 C HIS A 19 5.236 5.173 5.410 1.00 0.00 C ATOM 125 O HIS A 19 4.693 4.315 6.095 1.00 0.00 O ATOM 126 CB HIS A 19 3.609 4.693 3.566 1.00 0.00 C ATOM 127 CG HIS A 19 2.630 5.231 2.563 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.471 5.910 2.858 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.621 4.946 1.226 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.771 6.019 1.717 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.426 5.440 0.697 1.00 0.00 N ATOM 0 H HIS A 19 5.863 5.832 2.743 1.00 0.00 H new ATOM 0 HA HIS A 19 3.791 6.537 4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.285 4.000 3.066 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.068 4.122 4.320 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.194 6.265 3.773 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.397 4.432 0.678 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.189 6.506 1.631 1.00 0.00 H new ATOM 132 N ALA A 20 6.479 5.601 5.649 1.00 0.00 N ATOM 133 CA ALA A 20 7.381 5.158 6.719 1.00 0.00 C ATOM 134 C ALA A 20 6.864 4.013 7.610 1.00 0.00 C ATOM 135 O ALA A 20 7.212 2.859 7.375 1.00 0.00 O ATOM 136 CB ALA A 20 7.826 6.378 7.527 1.00 0.00 C ATOM 0 H ALA A 20 6.912 6.314 5.062 1.00 0.00 H new ATOM 0 HA ALA A 20 8.237 4.696 6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.497 6.061 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.346 7.078 6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.953 6.866 7.960 1.00 0.00 H new ATOM 137 N GLY A 21 6.037 4.317 8.621 1.00 0.00 N ATOM 138 CA GLY A 21 5.430 3.326 9.512 1.00 0.00 C ATOM 139 C GLY A 21 3.921 3.233 9.280 1.00 0.00 C ATOM 140 O GLY A 21 3.132 3.460 10.192 1.00 0.00 O ATOM 0 H GLY A 21 5.769 5.276 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.888 2.351 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.626 3.596 10.550 1.00 0.00 H new ATOM 141 N GLY A 22 3.516 2.964 8.037 1.00 0.00 N ATOM 142 CA GLY A 22 2.141 3.133 7.583 1.00 0.00 C ATOM 143 C GLY A 22 1.737 4.612 7.562 1.00 0.00 C ATOM 144 O GLY A 22 0.550 4.937 7.493 1.00 0.00 O ATOM 0 H GLY A 22 4.144 2.619 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.031 2.710 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.469 2.580 8.239 1.00 0.00 H new ATOM 145 N GLY A 23 2.729 5.504 7.624 1.00 0.00 N ATOM 146 CA GLY A 23 2.596 6.899 8.000 1.00 0.00 C ATOM 147 C GLY A 23 2.638 7.801 6.782 1.00 0.00 C ATOM 148 O GLY A 23 3.702 8.296 6.426 1.00 0.00 O ATOM 0 H GLY A 23 3.692 5.252 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.657 7.047 8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.398 7.172 8.686 1.00 0.00 H new ATOM 149 N ASN A 24 1.484 7.993 6.144 1.00 0.00 N ATOM 150 CA ASN A 24 1.329 8.864 4.987 1.00 0.00 C ATOM 151 C ASN A 24 1.912 10.256 5.252 1.00 0.00 C ATOM 152 O ASN A 24 1.374 11.005 6.060 1.00 0.00 O ATOM 153 CB ASN A 24 -0.146 8.967 4.636 1.00 0.00 C ATOM 154 CG ASN A 24 -0.321 9.538 3.234 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.348 10.485 2.823 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.185 8.894 2.467 1.00 0.00 N ATOM 0 H ASN A 24 0.616 7.537 6.425 1.00 0.00 H new ATOM 0 HA ASN A 24 1.879 8.434 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.610 7.982 4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.655 9.603 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.316 9.178 1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.721 8.113 2.846 1.00 0.00 H new ATOM 157 N ASN A 25 2.999 10.613 4.570 1.00 0.00 N ATOM 158 CA ASN A 25 3.653 11.908 4.727 1.00 0.00 C ATOM 159 C ASN A 25 2.956 12.995 3.906 1.00 0.00 C ATOM 160 O ASN A 25 3.121 14.174 4.205 1.00 0.00 O ATOM 161 CB ASN A 25 5.135 11.814 4.332 1.00 0.00 C ATOM 162 CG ASN A 25 6.016 11.243 5.441 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.872 11.940 5.975 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.833 9.980 5.808 1.00 0.00 N ATOM 0 H ASN A 25 3.453 10.006 3.888 1.00 0.00 H new ATOM 0 HA ASN A 25 3.582 12.186 5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.229 11.189 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.497 12.807 4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.409 9.575 6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.116 9.415 5.352 1.00 0.00 H new ATOM 165 N VAL A 26 2.209 12.628 2.861 1.00 0.00 N ATOM 166 CA VAL A 26 1.617 13.597 1.946 1.00 0.00 C ATOM 167 C VAL A 26 0.289 14.094 2.520 1.00 0.00 C ATOM 168 O VAL A 26 0.074 15.298 2.641 1.00 0.00 O ATOM 169 CB VAL A 26 1.459 12.973 0.549 1.00 0.00 C ATOM 170 CG1 VAL A 26 0.895 13.992 -0.452 1.00 0.00 C ATOM 171 CG2 VAL A 26 2.810 12.474 0.019 1.00 0.00 C ATOM 0 H VAL A 26 2.001 11.657 2.630 1.00 0.00 H new ATOM 0 HA VAL A 26 2.272 14.461 1.836 1.00 0.00 H new ATOM 0 HB VAL A 26 0.767 12.137 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.794 13.523 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.082 14.334 -0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.572 14.843 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.674 12.037 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.506 13.310 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.211 11.720 0.697 1.00 0.00 H new ATOM 172 N ILE A 27 -0.602 13.161 2.865 1.00 0.00 N ATOM 173 CA ILE A 27 -1.890 13.429 3.493 1.00 0.00 C ATOM 174 C ILE A 27 -1.840 12.751 4.871 1.00 0.00 C ATOM 175 O ILE A 27 -2.085 11.547 4.944 1.00 0.00 O ATOM 176 CB ILE A 27 -3.034 12.911 2.597 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.927 13.522 1.187 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.386 13.270 3.231 1.00 0.00 C ATOM 179 CD1 ILE A 27 -4.082 13.122 0.263 1.00 0.00 C ATOM 0 H ILE A 27 -0.437 12.167 2.708 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.083 14.494 3.620 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.956 11.827 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.898 14.608 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.985 13.212 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.194 12.904 2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.460 12.809 4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.465 14.353 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.944 13.587 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.099 12.038 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.026 13.456 0.694 1.00 0.00 H new ATOM 180 N PRO A 28 -1.471 13.485 5.938 1.00 0.00 N ATOM 181 CA PRO A 28 -1.095 12.953 7.245 1.00 0.00 C ATOM 182 C PRO A 28 -1.937 11.783 7.756 1.00 0.00 C ATOM 183 O PRO A 28 -1.401 10.789 8.241 1.00 0.00 O ATOM 184 CB PRO A 28 -1.167 14.147 8.198 1.00 0.00 C ATOM 185 CG PRO A 28 -0.730 15.304 7.304 1.00 0.00 C ATOM 186 CD PRO A 28 -1.325 14.935 5.945 1.00 0.00 C ATOM 0 HA PRO A 28 -0.101 12.511 7.173 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.173 14.294 8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.505 14.023 9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.111 16.259 7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.356 15.391 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.289 15.423 5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.674 15.263 5.134 1.00 0.00 H new ATOM 187 N ASP A 29 -3.258 11.930 7.686 1.00 0.00 N ATOM 188 CA ASP A 29 -4.246 11.027 8.247 1.00 0.00 C ATOM 189 C ASP A 29 -4.581 9.867 7.305 1.00 0.00 C ATOM 190 O ASP A 29 -5.163 8.875 7.745 1.00 0.00 O ATOM 191 CB ASP A 29 -5.502 11.843 8.589 1.00 0.00 C ATOM 192 CG ASP A 29 -6.083 12.572 7.381 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.287 13.259 6.699 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.309 12.452 7.179 1.00 0.00 O ATOM 0 H ASP A 29 -3.685 12.725 7.211 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.835 10.570 9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.259 11.178 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.257 12.570 9.363 1.00 0.00 H new ATOM 195 N HIS A 30 -4.193 9.931 6.028 1.00 0.00 N ATOM 196 CA HIS A 30 -4.543 8.920 5.034 1.00 0.00 C ATOM 197 C HIS A 30 -3.533 7.763 5.109 1.00 0.00 C ATOM 198 O HIS A 30 -2.895 7.395 4.118 1.00 0.00 O ATOM 199 CB HIS A 30 -4.625 9.625 3.673 1.00 0.00 C ATOM 200 CG HIS A 30 -5.480 8.964 2.622 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.507 7.629 2.298 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.324 9.608 1.756 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.324 7.483 1.239 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.841 8.664 0.871 1.00 0.00 N ATOM 0 H HIS A 30 -3.624 10.691 5.656 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.514 8.460 5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.003 10.635 3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.614 9.722 3.278 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.999 6.883 2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.550 10.664 1.759 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.535 6.542 0.752 1.00 0.00 H new ATOM 205 N THR A 31 -3.353 7.238 6.326 1.00 0.00 N ATOM 206 CA THR A 31 -2.357 6.250 6.718 1.00 0.00 C ATOM 207 C THR A 31 -2.732 4.860 6.212 1.00 0.00 C ATOM 208 O THR A 31 -3.900 4.600 5.948 1.00 0.00 O ATOM 209 CB THR A 31 -2.305 6.238 8.253 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.620 6.156 8.770 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.678 7.520 8.800 1.00 0.00 C ATOM 0 H THR A 31 -3.942 7.515 7.112 1.00 0.00 H new ATOM 0 HA THR A 31 -1.390 6.510 6.287 1.00 0.00 H new ATOM 0 HB THR A 31 -1.704 5.380 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.586 6.147 9.749 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.657 7.479 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.661 7.618 8.421 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.269 8.379 8.481 1.00 0.00 H new ATOM 212 N LEU A 32 -1.791 3.912 6.188 1.00 0.00 N ATOM 213 CA LEU A 32 -2.069 2.548 5.729 1.00 0.00 C ATOM 214 C LEU A 32 -2.804 1.707 6.787 1.00 0.00 C ATOM 215 O LEU A 32 -2.569 0.505 6.906 1.00 0.00 O ATOM 216 CB LEU A 32 -0.761 1.869 5.299 1.00 0.00 C ATOM 217 CG LEU A 32 0.047 2.679 4.273 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.192 1.809 3.751 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.810 3.117 3.085 1.00 0.00 C ATOM 0 H LEU A 32 -0.826 4.065 6.482 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.739 2.617 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.144 1.698 6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.991 0.891 4.876 1.00 0.00 H new ATOM 0 HG LEU A 32 0.421 3.574 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.774 2.372 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.835 1.518 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.784 0.916 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.198 3.686 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.212 2.237 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.631 3.740 3.439 1.00 0.00 H new ATOM 220 N GLN A 33 -3.696 2.331 7.557 1.00 0.00 N ATOM 221 CA GLN A 33 -4.442 1.692 8.626 1.00 0.00 C ATOM 222 C GLN A 33 -5.698 1.051 8.060 1.00 0.00 C ATOM 223 O GLN A 33 -6.268 1.572 7.105 1.00 0.00 O ATOM 224 CB GLN A 33 -4.827 2.738 9.686 1.00 0.00 C ATOM 225 CG GLN A 33 -3.968 2.592 10.940 1.00 0.00 C ATOM 226 CD GLN A 33 -4.206 1.263 11.653 1.00 0.00 C ATOM 227 OE1 GLN A 33 -5.096 0.496 11.287 1.00 0.00 O ATOM 228 NE2 GLN A 33 -3.399 0.982 12.667 1.00 0.00 N ATOM 0 H GLN A 33 -3.921 3.320 7.447 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.822 0.923 9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.706 3.740 9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.879 2.625 9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.915 2.673 10.668 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.185 3.413 11.624 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.673 1.645 12.940 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.504 0.103 13.174 1.00 0.00 H new ATOM 229 N LYS A 34 -6.178 -0.025 8.694 1.00 0.00 N ATOM 230 CA LYS A 34 -7.421 -0.665 8.302 1.00 0.00 C ATOM 231 C LYS A 34 -8.521 0.388 8.219 1.00 0.00 C ATOM 232 O LYS A 34 -9.110 0.604 7.169 1.00 0.00 O ATOM 233 CB LYS A 34 -7.774 -1.747 9.316 1.00 0.00 C ATOM 234 CG LYS A 34 -8.986 -2.535 8.813 1.00 0.00 C ATOM 235 CD LYS A 34 -9.361 -3.540 9.895 1.00 0.00 C ATOM 236 CE LYS A 34 -10.550 -4.427 9.493 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.792 -3.666 9.224 1.00 0.00 N ATOM 0 H LYS A 34 -5.713 -0.468 9.487 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.313 -1.133 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.926 -2.416 9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.995 -1.297 10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.820 -1.865 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.750 -3.047 7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.500 -4.171 10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.606 -3.005 10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.283 -4.997 8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.740 -5.148 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.534 -3.967 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.610 -2.649 9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.105 -3.846 8.249 1.00 0.00 H new ATOM 238 N ALA A 35 -8.759 1.069 9.338 1.00 0.00 N ATOM 239 CA ALA A 35 -9.765 2.117 9.439 1.00 0.00 C ATOM 240 C ALA A 35 -9.606 3.167 8.333 1.00 0.00 C ATOM 241 O ALA A 35 -10.587 3.608 7.737 1.00 0.00 O ATOM 242 CB ALA A 35 -9.663 2.773 10.819 1.00 0.00 C ATOM 0 H ALA A 35 -8.252 0.905 10.208 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.750 1.667 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.413 3.560 10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.834 2.023 11.592 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.670 3.204 10.945 1.00 0.00 H new ATOM 243 N ALA A 36 -8.364 3.575 8.065 1.00 0.00 N ATOM 244 CA ALA A 36 -8.079 4.683 7.165 1.00 0.00 C ATOM 245 C ALA A 36 -8.365 4.246 5.735 1.00 0.00 C ATOM 246 O ALA A 36 -9.011 4.965 4.979 1.00 0.00 O ATOM 247 CB ALA A 36 -6.627 5.119 7.341 1.00 0.00 C ATOM 0 H ALA A 36 -7.532 3.144 8.468 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.715 5.538 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.412 5.949 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.465 5.436 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.966 4.284 7.110 1.00 0.00 H new ATOM 248 N ILE A 37 -7.967 3.015 5.416 1.00 0.00 N ATOM 249 CA ILE A 37 -8.397 2.351 4.206 1.00 0.00 C ATOM 250 C ILE A 37 -9.922 2.357 4.128 1.00 0.00 C ATOM 251 O ILE A 37 -10.482 2.867 3.163 1.00 0.00 O ATOM 252 CB ILE A 37 -7.771 0.946 4.141 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.430 0.986 3.410 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.684 -0.068 3.463 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.452 -0.070 3.939 1.00 0.00 C ATOM 0 H ILE A 37 -7.338 2.458 5.995 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.047 2.885 3.322 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.621 0.626 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.594 0.826 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.988 1.976 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.195 -1.042 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.620 -0.143 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.892 0.254 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.513 -0.004 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.266 0.105 4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.881 -1.063 3.805 1.00 0.00 H new ATOM 256 N GLU A 38 -10.605 1.777 5.110 1.00 0.00 N ATOM 257 CA GLU A 38 -12.029 1.543 4.997 1.00 0.00 C ATOM 258 C GLU A 38 -12.823 2.845 4.849 1.00 0.00 C ATOM 259 O GLU A 38 -13.855 2.854 4.183 1.00 0.00 O ATOM 260 CB GLU A 38 -12.499 0.679 6.173 1.00 0.00 C ATOM 261 CG GLU A 38 -11.892 -0.721 6.007 1.00 0.00 C ATOM 262 CD GLU A 38 -12.229 -1.687 7.128 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.172 -1.289 8.313 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.413 -2.890 6.840 1.00 0.00 O ATOM 0 H GLU A 38 -10.191 1.463 5.988 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.224 0.992 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.185 1.120 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.587 0.622 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.237 -1.144 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.808 -0.628 5.937 1.00 0.00 H new ATOM 265 N GLN A 39 -12.359 3.940 5.457 1.00 0.00 N ATOM 266 CA GLN A 39 -12.898 5.260 5.185 1.00 0.00 C ATOM 267 C GLN A 39 -12.492 5.768 3.796 1.00 0.00 C ATOM 268 O GLN A 39 -13.353 6.035 2.961 1.00 0.00 O ATOM 269 CB GLN A 39 -12.445 6.228 6.280 1.00 0.00 C ATOM 270 CG GLN A 39 -12.973 5.860 7.671 1.00 0.00 C ATOM 271 CD GLN A 39 -14.495 5.836 7.767 1.00 0.00 C ATOM 272 OE1 GLN A 39 -15.118 6.825 8.138 1.00 0.00 O ATOM 273 NE2 GLN A 39 -15.111 4.699 7.456 1.00 0.00 N ATOM 0 H GLN A 39 -11.606 3.930 6.145 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.986 5.196 5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.356 6.251 6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.779 7.234 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.586 4.880 7.948 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.584 6.574 8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.568 3.892 7.150 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.127 4.634 7.523 1.00 0.00 H new ATOM 274 N PHE A 40 -11.194 5.984 3.572 1.00 0.00 N ATOM 275 CA PHE A 40 -10.711 6.749 2.427 1.00 0.00 C ATOM 276 C PHE A 40 -10.688 5.933 1.134 1.00 0.00 C ATOM 277 O PHE A 40 -11.083 6.441 0.085 1.00 0.00 O ATOM 278 CB PHE A 40 -9.332 7.347 2.726 1.00 0.00 C ATOM 279 CG PHE A 40 -9.272 8.227 3.959 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.100 9.361 4.055 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.332 7.962 4.972 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.009 10.209 5.172 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.260 8.795 6.102 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.092 9.923 6.197 1.00 0.00 C ATOM 0 H PHE A 40 -10.453 5.634 4.179 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.420 7.560 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.617 6.533 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.011 7.932 1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.807 9.580 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.665 7.117 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.644 11.080 5.242 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.565 8.568 6.897 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.027 10.571 7.059 1.00 0.00 H new ATOM 285 N LEU A 41 -10.197 4.692 1.174 1.00 0.00 N ATOM 286 CA LEU A 41 -10.135 3.839 0.009 1.00 0.00 C ATOM 287 C LEU A 41 -11.524 3.517 -0.537 1.00 0.00 C ATOM 288 O LEU A 41 -12.176 2.576 -0.092 1.00 0.00 O ATOM 289 CB LEU A 41 -9.328 2.572 0.310 1.00 0.00 C ATOM 290 CG LEU A 41 -8.555 2.142 -0.942 1.00 0.00 C ATOM 291 CD1 LEU A 41 -7.510 3.207 -1.305 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.848 0.835 -0.626 1.00 0.00 C ATOM 0 H LEU A 41 -9.833 4.259 2.023 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.615 4.385 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.635 2.757 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.995 1.772 0.630 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.239 2.021 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.965 2.894 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.010 4.156 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.812 3.329 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.288 0.503 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.163 0.985 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.585 0.078 -0.359 1.00 0.00 H new ATOM 293 N ASP A 42 -11.917 4.274 -1.561 1.00 0.00 N ATOM 294 CA ASP A 42 -12.779 3.871 -2.666 1.00 0.00 C ATOM 295 C ASP A 42 -13.107 2.366 -2.680 1.00 0.00 C ATOM 296 O ASP A 42 -14.245 1.982 -2.418 1.00 0.00 O ATOM 297 CB ASP A 42 -12.104 4.335 -3.971 1.00 0.00 C ATOM 298 CG ASP A 42 -10.600 4.076 -3.968 1.00 0.00 C ATOM 299 OD1 ASP A 42 -10.220 2.923 -4.256 1.00 0.00 O ATOM 300 OD2 ASP A 42 -9.858 5.014 -3.590 1.00 0.00 O ATOM 0 H ASP A 42 -11.622 5.247 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.752 4.347 -2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.558 3.818 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.287 5.400 -4.113 1.00 0.00 H new ATOM 301 N GLY A 43 -12.134 1.510 -2.999 1.00 0.00 N ATOM 302 CA GLY A 43 -12.358 0.082 -3.189 1.00 0.00 C ATOM 303 C GLY A 43 -12.484 -0.743 -1.899 1.00 0.00 C ATOM 304 O GLY A 43 -12.652 -1.960 -1.984 1.00 0.00 O ATOM 0 H GLY A 43 -11.163 1.794 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.267 -0.051 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.536 -0.322 -3.780 1.00 0.00 H new ATOM 305 N GLY A 44 -12.418 -0.134 -0.712 1.00 0.00 N ATOM 306 CA GLY A 44 -12.583 -0.818 0.559 1.00 0.00 C ATOM 307 C GLY A 44 -11.358 -1.651 0.936 1.00 0.00 C ATOM 308 O GLY A 44 -10.380 -1.732 0.193 1.00 0.00 O ATOM 0 H GLY A 44 -12.245 0.866 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.774 -0.084 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.458 -1.466 0.509 1.00 0.00 H new ATOM 309 N PHE A 45 -11.413 -2.277 2.117 1.00 0.00 N ATOM 310 CA PHE A 45 -10.335 -3.127 2.619 1.00 0.00 C ATOM 311 C PHE A 45 -10.274 -4.437 1.834 1.00 0.00 C ATOM 312 O PHE A 45 -10.622 -5.496 2.356 1.00 0.00 O ATOM 313 CB PHE A 45 -10.451 -3.380 4.132 1.00 0.00 C ATOM 314 CG PHE A 45 -9.253 -4.059 4.785 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.959 -3.534 4.606 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.436 -5.153 5.652 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.862 -4.090 5.276 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.333 -5.716 6.323 1.00 0.00 C ATOM 319 CZ PHE A 45 -7.047 -5.180 6.136 1.00 0.00 C ATOM 0 H PHE A 45 -12.209 -2.206 2.751 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.397 -2.593 2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.619 -2.425 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.335 -3.992 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.811 -2.693 3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.424 -5.561 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.874 -3.679 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.475 -6.560 6.982 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.202 -5.608 6.655 1.00 0.00 H new ATOM 320 N ASN A 46 -9.812 -4.369 0.584 1.00 0.00 N ATOM 321 CA ASN A 46 -9.771 -5.504 -0.335 1.00 0.00 C ATOM 322 C ASN A 46 -8.415 -5.527 -1.035 1.00 0.00 C ATOM 323 O ASN A 46 -7.862 -4.470 -1.332 1.00 0.00 O ATOM 324 CB ASN A 46 -10.922 -5.396 -1.340 1.00 0.00 C ATOM 325 CG ASN A 46 -12.287 -5.481 -0.661 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.640 -6.503 -0.081 1.00 0.00 O ATOM 327 ND2 ASN A 46 -13.070 -4.407 -0.701 1.00 0.00 N ATOM 0 H ASN A 46 -9.450 -3.507 0.176 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.894 -6.439 0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.844 -4.452 -1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.834 -6.193 -2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.982 -4.423 -0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.759 -3.567 -1.188 1.00 0.00 H new ATOM 328 N ILE A 47 -7.852 -6.713 -1.286 1.00 0.00 N ATOM 329 CA ILE A 47 -6.512 -6.842 -1.833 1.00 0.00 C ATOM 330 C ILE A 47 -6.509 -6.194 -3.214 1.00 0.00 C ATOM 331 O ILE A 47 -5.652 -5.373 -3.513 1.00 0.00 O ATOM 332 CB ILE A 47 -6.116 -8.330 -1.871 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.869 -8.905 -0.463 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.901 -8.566 -2.772 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.534 -8.482 0.161 1.00 0.00 C ATOM 0 H ILE A 47 -8.317 -7.604 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.771 -6.336 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.965 -8.864 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.680 -8.591 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.905 -9.993 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.650 -9.627 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.133 -8.246 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.053 -7.994 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.437 -8.929 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.713 -8.820 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.501 -7.396 0.248 1.00 0.00 H new ATOM 336 N GLU A 48 -7.506 -6.539 -4.025 1.00 0.00 N ATOM 337 CA GLU A 48 -7.819 -5.934 -5.305 1.00 0.00 C ATOM 338 C GLU A 48 -7.645 -4.417 -5.241 1.00 0.00 C ATOM 339 O GLU A 48 -6.840 -3.838 -5.965 1.00 0.00 O ATOM 340 CB GLU A 48 -9.252 -6.294 -5.708 1.00 0.00 C ATOM 341 CG GLU A 48 -9.681 -7.734 -5.396 1.00 0.00 C ATOM 342 CD GLU A 48 -10.250 -7.937 -3.993 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.433 -8.131 -3.061 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.488 -7.849 -3.868 1.00 0.00 O ATOM 0 H GLU A 48 -8.151 -7.293 -3.787 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.131 -6.321 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.936 -5.612 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.364 -6.123 -6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.430 -8.043 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.821 -8.391 -5.524 1.00 0.00 H new ATOM 345 N ALA A 49 -8.414 -3.792 -4.348 1.00 0.00 N ATOM 346 CA ALA A 49 -8.389 -2.351 -4.121 1.00 0.00 C ATOM 347 C ALA A 49 -6.974 -1.846 -3.818 1.00 0.00 C ATOM 348 O ALA A 49 -6.513 -0.886 -4.437 1.00 0.00 O ATOM 349 CB ALA A 49 -9.357 -1.977 -2.998 1.00 0.00 C ATOM 0 H ALA A 49 -9.082 -4.283 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.712 -1.862 -5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.329 -0.899 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.368 -2.277 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.065 -2.488 -2.081 1.00 0.00 H new ATOM 350 N ILE A 50 -6.276 -2.486 -2.873 1.00 0.00 N ATOM 351 CA ILE A 50 -4.905 -2.127 -2.555 1.00 0.00 C ATOM 352 C ILE A 50 -4.052 -2.183 -3.830 1.00 0.00 C ATOM 353 O ILE A 50 -3.490 -1.171 -4.252 1.00 0.00 O ATOM 354 CB ILE A 50 -4.369 -3.049 -1.440 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.143 -2.960 -0.112 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.888 -2.785 -1.190 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.140 -1.591 0.568 1.00 0.00 C ATOM 0 H ILE A 50 -6.647 -3.257 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.858 -1.106 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.517 -4.063 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.177 -3.252 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.724 -3.690 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.529 -3.445 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.325 -2.974 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.750 -1.747 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.714 -1.643 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.114 -1.299 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.590 -0.854 -0.097 1.00 0.00 H new ATOM 358 N VAL A 51 -3.956 -3.363 -4.447 1.00 0.00 N ATOM 359 CA VAL A 51 -3.139 -3.612 -5.615 1.00 0.00 C ATOM 360 C VAL A 51 -3.422 -2.551 -6.682 1.00 0.00 C ATOM 361 O VAL A 51 -2.501 -1.899 -7.164 1.00 0.00 O ATOM 362 CB VAL A 51 -3.409 -5.039 -6.124 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.593 -5.266 -7.386 1.00 0.00 C ATOM 364 CG2 VAL A 51 -2.970 -6.126 -5.134 1.00 0.00 C ATOM 0 H VAL A 51 -4.463 -4.189 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.081 -3.541 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.485 -5.114 -6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.773 -6.274 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.886 -4.540 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.533 -5.147 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.188 -7.109 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.899 -6.039 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.511 -6.003 -4.196 1.00 0.00 H new ATOM 365 N TYR A 52 -4.699 -2.347 -7.009 1.00 0.00 N ATOM 366 CA TYR A 52 -5.154 -1.349 -7.964 1.00 0.00 C ATOM 367 C TYR A 52 -4.523 0.022 -7.696 1.00 0.00 C ATOM 368 O TYR A 52 -4.040 0.671 -8.627 1.00 0.00 O ATOM 369 CB TYR A 52 -6.686 -1.278 -7.922 1.00 0.00 C ATOM 370 CG TYR A 52 -7.276 -0.137 -8.725 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.383 -0.242 -10.123 1.00 0.00 C ATOM 372 CD2 TYR A 52 -7.639 1.061 -8.081 1.00 0.00 C ATOM 373 CE1 TYR A 52 -7.856 0.847 -10.874 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.106 2.151 -8.835 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.213 2.043 -10.232 1.00 0.00 C ATOM 376 OH TYR A 52 -8.669 3.096 -10.967 1.00 0.00 O ATOM 0 H TYR A 52 -5.462 -2.889 -6.603 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.835 -1.645 -8.963 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.093 -2.218 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.006 -1.181 -6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.102 -1.159 -10.619 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.559 1.142 -7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.945 0.764 -11.947 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.382 3.071 -8.341 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.873 3.847 -10.371 1.00 0.00 H new ATOM 377 N GLN A 53 -4.519 0.477 -6.439 1.00 0.00 N ATOM 378 CA GLN A 53 -3.929 1.766 -6.106 1.00 0.00 C ATOM 379 C GLN A 53 -2.438 1.731 -6.455 1.00 0.00 C ATOM 380 O GLN A 53 -1.949 2.606 -7.169 1.00 0.00 O ATOM 381 CB GLN A 53 -4.188 2.108 -4.629 1.00 0.00 C ATOM 382 CG GLN A 53 -3.479 3.405 -4.188 1.00 0.00 C ATOM 383 CD GLN A 53 -4.387 4.537 -3.721 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.607 4.518 -3.884 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.777 5.570 -3.155 1.00 0.00 N ATOM 0 H GLN A 53 -4.915 -0.027 -5.646 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.393 2.561 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.261 2.211 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.849 1.282 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.789 3.162 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.878 3.768 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.764 5.560 -3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.320 6.375 -2.843 1.00 0.00 H new ATOM 386 N ILE A 54 -1.726 0.719 -5.953 1.00 0.00 N ATOM 387 CA ILE A 54 -0.290 0.571 -6.172 1.00 0.00 C ATOM 388 C ILE A 54 0.035 0.549 -7.670 1.00 0.00 C ATOM 389 O ILE A 54 0.912 1.284 -8.118 1.00 0.00 O ATOM 390 CB ILE A 54 0.246 -0.663 -5.417 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.494 -0.368 -3.926 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.584 -1.145 -5.994 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.790 -0.359 -3.104 1.00 0.00 C ATOM 0 H ILE A 54 -2.133 -0.022 -5.382 1.00 0.00 H new ATOM 0 HA ILE A 54 0.226 1.439 -5.761 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.525 -1.425 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.174 -1.117 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.989 0.598 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.929 -2.015 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.452 -1.415 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.323 -0.347 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.553 -0.146 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.462 0.408 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.274 -1.333 -3.174 1.00 0.00 H new ATOM 394 N GLU A 55 -0.661 -0.280 -8.451 1.00 0.00 N ATOM 395 CA GLU A 55 -0.524 -0.311 -9.887 1.00 0.00 C ATOM 396 C GLU A 55 -0.656 1.107 -10.442 1.00 0.00 C ATOM 397 O GLU A 55 0.301 1.657 -10.985 1.00 0.00 O ATOM 398 CB GLU A 55 -1.660 -1.152 -10.461 1.00 0.00 C ATOM 399 CG GLU A 55 -1.586 -2.674 -10.389 1.00 0.00 C ATOM 400 CD GLU A 55 -2.883 -3.277 -10.941 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.749 -2.488 -11.395 1.00 0.00 O ATOM 402 OE2 GLU A 55 -2.990 -4.519 -10.890 1.00 0.00 O ATOM 0 H GLU A 55 -1.339 -0.951 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 55 0.447 -0.728 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.577 -0.847 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.767 -0.881 -11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.732 -3.034 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.435 -2.993 -9.358 1.00 0.00 H new ATOM 403 N ASN A 56 -1.869 1.657 -10.341 1.00 0.00 N ATOM 404 CA ASN A 56 -2.353 2.676 -11.255 1.00 0.00 C ATOM 405 C ASN A 56 -2.001 4.082 -10.779 1.00 0.00 C ATOM 406 O ASN A 56 -1.893 4.985 -11.605 1.00 0.00 O ATOM 407 CB ASN A 56 -3.864 2.488 -11.469 1.00 0.00 C ATOM 408 CG ASN A 56 -4.163 1.146 -12.141 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.133 1.037 -13.363 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.409 0.120 -11.335 1.00 0.00 N ATOM 0 H ASN A 56 -2.540 1.402 -9.617 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.852 2.559 -12.216 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.379 2.541 -10.510 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.251 3.300 -12.084 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.583 -0.806 -11.726 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.424 0.258 -10.324 1.00 0.00 H new ATOM 411 N GLY A 57 -1.809 4.269 -9.469 1.00 0.00 N ATOM 412 CA GLY A 57 -1.543 5.569 -8.869 1.00 0.00 C ATOM 413 C GLY A 57 -2.793 6.442 -8.892 1.00 0.00 C ATOM 414 O GLY A 57 -3.552 6.461 -9.859 1.00 0.00 O ATOM 0 H GLY A 57 -1.836 3.507 -8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.204 5.438 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.737 6.066 -9.409 1.00 0.00 H new ATOM 415 N LYS A 58 -3.059 7.117 -7.778 1.00 0.00 N ATOM 416 CA LYS A 58 -4.369 7.642 -7.484 1.00 0.00 C ATOM 417 C LYS A 58 -4.163 8.892 -6.625 1.00 0.00 C ATOM 418 O LYS A 58 -3.318 8.900 -5.730 1.00 0.00 O ATOM 419 CB LYS A 58 -5.106 6.479 -6.802 1.00 0.00 C ATOM 420 CG LYS A 58 -6.576 6.713 -6.467 1.00 0.00 C ATOM 421 CD LYS A 58 -6.694 7.691 -5.301 1.00 0.00 C ATOM 422 CE LYS A 58 -7.905 7.337 -4.426 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.596 6.271 -3.455 1.00 0.00 N ATOM 0 H LYS A 58 -2.363 7.311 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.968 7.965 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.038 5.604 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.580 6.235 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.098 7.108 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.054 5.768 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.784 7.664 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.796 8.708 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.239 8.227 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.731 7.019 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.469 5.763 -3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.916 5.606 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.185 6.691 -2.597 1.00 0.00 H new ATOM 424 N GLY A 59 -4.894 9.970 -6.910 1.00 0.00 N ATOM 425 CA GLY A 59 -4.750 11.218 -6.176 1.00 0.00 C ATOM 426 C GLY A 59 -3.321 11.750 -6.300 1.00 0.00 C ATOM 427 O GLY A 59 -2.897 12.104 -7.397 1.00 0.00 O ATOM 0 H GLY A 59 -5.595 9.999 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.454 11.956 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.996 11.060 -5.126 1.00 0.00 H new ATOM 428 N ALA A 60 -2.583 11.796 -5.185 1.00 0.00 N ATOM 429 CA ALA A 60 -1.207 12.285 -5.140 1.00 0.00 C ATOM 430 C ALA A 60 -0.208 11.142 -4.923 1.00 0.00 C ATOM 431 O ALA A 60 0.888 11.375 -4.415 1.00 0.00 O ATOM 432 CB ALA A 60 -1.091 13.357 -4.049 1.00 0.00 C ATOM 0 H ALA A 60 -2.933 11.489 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.956 12.731 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.066 13.727 -4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.766 14.182 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.358 12.925 -3.085 1.00 0.00 H new ATOM 433 N MET A 61 -0.574 9.911 -5.297 1.00 0.00 N ATOM 434 CA MET A 61 0.286 8.742 -5.180 1.00 0.00 C ATOM 435 C MET A 61 0.762 8.297 -6.569 1.00 0.00 C ATOM 436 O MET A 61 -0.075 8.126 -7.456 1.00 0.00 O ATOM 437 CB MET A 61 -0.514 7.640 -4.489 1.00 0.00 C ATOM 438 CG MET A 61 0.186 6.286 -4.523 1.00 0.00 C ATOM 439 SD MET A 61 -0.332 5.160 -3.219 1.00 0.00 S ATOM 440 CE MET A 61 -0.020 3.565 -4.004 1.00 0.00 C ATOM 0 H MET A 61 -1.490 9.702 -5.694 1.00 0.00 H new ATOM 0 HA MET A 61 1.174 8.973 -4.591 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.693 7.924 -3.452 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.489 7.551 -4.968 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.000 5.817 -5.489 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.262 6.443 -4.447 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.374 2.764 -3.355 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.547 3.519 -4.957 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.050 3.447 -4.175 1.00 0.00 H new ATOM 441 N PRO A 62 2.075 8.094 -6.783 1.00 0.00 N ATOM 442 CA PRO A 62 2.596 7.645 -8.063 1.00 0.00 C ATOM 443 C PRO A 62 2.195 6.196 -8.347 1.00 0.00 C ATOM 444 O PRO A 62 1.918 5.416 -7.436 1.00 0.00 O ATOM 445 CB PRO A 62 4.118 7.801 -7.974 1.00 0.00 C ATOM 446 CG PRO A 62 4.391 7.637 -6.480 1.00 0.00 C ATOM 447 CD PRO A 62 3.166 8.292 -5.842 1.00 0.00 C ATOM 0 HA PRO A 62 2.189 8.231 -8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.637 7.046 -8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.447 8.774 -8.340 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.483 6.588 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.316 8.130 -6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.938 7.838 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.339 9.353 -5.662 1.00 0.00 H new ATOM 448 N ALA A 63 2.181 5.858 -9.637 1.00 0.00 N ATOM 449 CA ALA A 63 1.801 4.558 -10.164 1.00 0.00 C ATOM 450 C ALA A 63 3.027 3.643 -10.201 1.00 0.00 C ATOM 451 O ALA A 63 4.126 4.114 -10.512 1.00 0.00 O ATOM 452 CB ALA A 63 1.249 4.792 -11.572 1.00 0.00 C ATOM 0 H ALA A 63 2.447 6.515 -10.370 1.00 0.00 H new ATOM 0 HA ALA A 63 1.048 4.076 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.950 3.839 -12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.385 5.454 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.019 5.250 -12.193 1.00 0.00 H new ATOM 453 N TRP A 64 2.865 2.346 -9.925 1.00 0.00 N ATOM 454 CA TRP A 64 3.969 1.393 -9.871 1.00 0.00 C ATOM 455 C TRP A 64 3.865 0.345 -10.979 1.00 0.00 C ATOM 456 O TRP A 64 4.700 -0.562 -11.040 1.00 0.00 O ATOM 457 CB TRP A 64 4.059 0.787 -8.470 1.00 0.00 C ATOM 458 CG TRP A 64 4.415 1.788 -7.415 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.572 2.571 -6.701 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.753 2.202 -7.034 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.302 3.402 -5.874 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.660 3.216 -6.039 1.00 0.00 C ATOM 463 CE3 TRP A 64 7.039 1.827 -7.462 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.800 3.804 -5.470 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.188 2.441 -6.934 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.071 3.415 -5.925 1.00 0.00 C ATOM 0 H TRP A 64 1.955 1.928 -9.732 1.00 0.00 H new ATOM 0 HA TRP A 64 4.906 1.918 -10.060 1.00 0.00 H new ATOM 0 HB2 TRP A 64 3.103 0.328 -8.218 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.804 -0.009 -8.473 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.494 2.549 -6.768 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.889 4.070 -5.223 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.146 1.054 -8.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.702 4.546 -4.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.164 2.164 -7.304 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.957 3.863 -5.501 1.00 0.00 H new ATOM 467 N ASP A 65 2.890 0.498 -11.886 1.00 0.00 N ATOM 468 CA ASP A 65 2.732 -0.317 -13.062 1.00 0.00 C ATOM 469 C ASP A 65 4.079 -0.544 -13.758 1.00 0.00 C ATOM 470 O ASP A 65 4.786 0.398 -14.113 1.00 0.00 O ATOM 471 CB ASP A 65 1.695 0.340 -13.982 1.00 0.00 C ATOM 472 CG ASP A 65 2.127 1.703 -14.499 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.984 2.673 -13.728 1.00 0.00 O ATOM 474 OD2 ASP A 65 2.672 1.791 -15.620 1.00 0.00 O ATOM 0 H ASP A 65 2.175 1.221 -11.803 1.00 0.00 H new ATOM 0 HA ASP A 65 2.367 -1.306 -12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.503 -0.318 -14.829 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.755 0.446 -13.441 1.00 0.00 H new ATOM 475 N GLY A 66 4.480 -1.810 -13.863 1.00 0.00 N ATOM 476 CA GLY A 66 5.697 -2.229 -14.547 1.00 0.00 C ATOM 477 C GLY A 66 7.005 -1.788 -13.877 1.00 0.00 C ATOM 478 O GLY A 66 8.074 -2.138 -14.371 1.00 0.00 O ATOM 0 H GLY A 66 3.954 -2.588 -13.465 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.695 -3.316 -14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.677 -1.836 -15.564 1.00 0.00 H new ATOM 479 N ARG A 67 6.955 -1.031 -12.775 1.00 0.00 N ATOM 480 CA ARG A 67 8.142 -0.677 -12.001 1.00 0.00 C ATOM 481 C ARG A 67 8.437 -1.790 -11.005 1.00 0.00 C ATOM 482 O ARG A 67 9.598 -2.124 -10.785 1.00 0.00 O ATOM 483 CB ARG A 67 7.930 0.677 -11.310 1.00 0.00 C ATOM 484 CG ARG A 67 8.047 1.792 -12.363 1.00 0.00 C ATOM 485 CD ARG A 67 6.941 2.846 -12.259 1.00 0.00 C ATOM 486 NE ARG A 67 6.559 3.306 -13.606 1.00 0.00 N ATOM 487 CZ ARG A 67 5.282 3.351 -14.016 1.00 0.00 C ATOM 488 NH1 ARG A 67 4.328 3.655 -13.139 1.00 0.00 N ATOM 489 NH2 ARG A 67 4.971 3.070 -15.284 1.00 0.00 N ATOM 0 H ARG A 67 6.088 -0.648 -12.398 1.00 0.00 H new ATOM 0 HA ARG A 67 9.006 -0.573 -12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.950 0.709 -10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.671 0.820 -10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.015 2.281 -12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.022 1.346 -13.357 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.074 2.427 -11.749 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.286 3.690 -11.661 1.00 0.00 H new ATOM 0 HE ARG A 67 7.292 3.601 -14.251 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.571 3.850 -12.168 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.354 3.693 -13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.706 2.820 -15.946 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.999 3.106 -15.591 1.00 0.00 H new ATOM 490 N LEU A 68 7.379 -2.361 -10.428 1.00 0.00 N ATOM 491 CA LEU A 68 7.451 -3.566 -9.618 1.00 0.00 C ATOM 492 C LEU A 68 6.916 -4.733 -10.462 1.00 0.00 C ATOM 493 O LEU A 68 6.081 -4.510 -11.341 1.00 0.00 O ATOM 494 CB LEU A 68 6.623 -3.349 -8.343 1.00 0.00 C ATOM 495 CG LEU A 68 7.056 -2.134 -7.502 1.00 0.00 C ATOM 496 CD1 LEU A 68 6.084 -1.958 -6.331 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.480 -2.255 -6.953 1.00 0.00 C ATOM 0 H LEU A 68 6.434 -1.988 -10.515 1.00 0.00 H new ATOM 0 HA LEU A 68 8.473 -3.796 -9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.576 -3.229 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.688 -4.245 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 68 7.039 -1.269 -8.165 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.387 -1.099 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.077 -1.796 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.096 -2.854 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.722 -1.366 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.551 -3.137 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.183 -2.348 -7.781 1.00 0.00 H new ATOM 498 N ASP A 69 7.389 -5.961 -10.214 1.00 0.00 N ATOM 499 CA ASP A 69 6.842 -7.170 -10.838 1.00 0.00 C ATOM 500 C ASP A 69 5.436 -7.439 -10.309 1.00 0.00 C ATOM 501 O ASP A 69 5.003 -6.871 -9.314 1.00 0.00 O ATOM 502 CB ASP A 69 7.756 -8.376 -10.575 1.00 0.00 C ATOM 503 CG ASP A 69 7.394 -9.661 -11.302 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.452 -10.325 -10.813 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.027 -9.937 -12.341 1.00 0.00 O ATOM 0 H ASP A 69 8.162 -6.143 -9.574 1.00 0.00 H new ATOM 0 HA ASP A 69 6.789 -7.014 -11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.774 -8.101 -10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.759 -8.577 -9.504 1.00 0.00 H new ATOM 506 N GLU A 70 4.740 -8.360 -10.955 1.00 0.00 N ATOM 507 CA GLU A 70 3.409 -8.792 -10.568 1.00 0.00 C ATOM 508 C GLU A 70 3.450 -9.404 -9.165 1.00 0.00 C ATOM 509 O GLU A 70 2.624 -9.072 -8.311 1.00 0.00 O ATOM 510 CB GLU A 70 2.864 -9.796 -11.594 1.00 0.00 C ATOM 511 CG GLU A 70 2.701 -9.173 -12.991 1.00 0.00 C ATOM 512 CD GLU A 70 2.081 -10.140 -13.996 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.392 -11.082 -13.545 1.00 0.00 O ATOM 514 OE2 GLU A 70 2.294 -9.911 -15.206 1.00 0.00 O ATOM 0 H GLU A 70 5.094 -8.839 -11.783 1.00 0.00 H new ATOM 0 HA GLU A 70 2.740 -7.932 -10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.538 -10.651 -11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.900 -10.174 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.077 -8.282 -12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.676 -8.850 -13.357 1.00 0.00 H new ATOM 515 N ASP A 71 4.418 -10.292 -8.914 1.00 0.00 N ATOM 516 CA ASP A 71 4.501 -10.970 -7.623 1.00 0.00 C ATOM 517 C ASP A 71 4.826 -9.955 -6.534 1.00 0.00 C ATOM 518 O ASP A 71 4.224 -9.925 -5.465 1.00 0.00 O ATOM 519 CB ASP A 71 5.566 -12.069 -7.647 1.00 0.00 C ATOM 520 CG ASP A 71 5.388 -12.984 -6.448 1.00 0.00 C ATOM 521 OD1 ASP A 71 4.320 -13.629 -6.358 1.00 0.00 O ATOM 522 OD2 ASP A 71 6.301 -13.133 -5.609 1.00 0.00 O ATOM 0 H ASP A 71 5.145 -10.553 -9.580 1.00 0.00 H new ATOM 0 HA ASP A 71 3.538 -11.436 -7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.488 -12.644 -8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.561 -11.624 -7.632 1.00 0.00 H new ATOM 523 N GLU A 72 5.795 -9.102 -6.850 1.00 0.00 N ATOM 524 CA GLU A 72 6.260 -8.006 -6.036 1.00 0.00 C ATOM 525 C GLU A 72 5.087 -7.107 -5.615 1.00 0.00 C ATOM 526 O GLU A 72 4.794 -6.981 -4.425 1.00 0.00 O ATOM 527 CB GLU A 72 7.320 -7.306 -6.887 1.00 0.00 C ATOM 528 CG GLU A 72 8.128 -6.304 -6.107 1.00 0.00 C ATOM 529 CD GLU A 72 9.266 -5.719 -6.932 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.163 -5.810 -8.174 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.212 -5.197 -6.307 1.00 0.00 O ATOM 0 H GLU A 72 6.300 -9.169 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 72 6.699 -8.322 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.990 -8.054 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.834 -6.802 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.476 -5.499 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.535 -6.782 -5.216 1.00 0.00 H new ATOM 532 N ILE A 73 4.385 -6.529 -6.595 1.00 0.00 N ATOM 533 CA ILE A 73 3.126 -5.796 -6.423 1.00 0.00 C ATOM 534 C ILE A 73 2.200 -6.561 -5.468 1.00 0.00 C ATOM 535 O ILE A 73 1.752 -6.038 -4.445 1.00 0.00 O ATOM 536 CB ILE A 73 2.437 -5.603 -7.795 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.192 -4.665 -8.748 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.989 -5.135 -7.659 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.886 -3.173 -8.606 1.00 0.00 C ATOM 0 H ILE A 73 4.690 -6.560 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 73 3.340 -4.817 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 73 2.451 -6.598 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.262 -4.812 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.970 -4.965 -9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.551 -5.015 -8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.419 -5.875 -7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.963 -4.181 -7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.476 -2.610 -9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.826 -3.000 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.138 -2.844 -7.598 1.00 0.00 H new ATOM 540 N ALA A 74 1.894 -7.813 -5.808 1.00 0.00 N ATOM 541 CA ALA A 74 1.006 -8.628 -4.989 1.00 0.00 C ATOM 542 C ALA A 74 1.529 -8.765 -3.552 1.00 0.00 C ATOM 543 O ALA A 74 0.745 -8.756 -2.603 1.00 0.00 O ATOM 544 CB ALA A 74 0.792 -9.993 -5.646 1.00 0.00 C ATOM 0 H ALA A 74 2.248 -8.281 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 74 0.041 -8.125 -4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.127 -10.595 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.346 -9.857 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.751 -10.501 -5.749 1.00 0.00 H new ATOM 545 N GLY A 75 2.850 -8.869 -3.381 1.00 0.00 N ATOM 546 CA GLY A 75 3.477 -9.084 -2.094 1.00 0.00 C ATOM 547 C GLY A 75 3.336 -7.825 -1.262 1.00 0.00 C ATOM 548 O GLY A 75 2.953 -7.887 -0.098 1.00 0.00 O ATOM 0 H GLY A 75 3.516 -8.804 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.011 -9.927 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.530 -9.333 -2.225 1.00 0.00 H new ATOM 549 N VAL A 76 3.624 -6.668 -1.860 1.00 0.00 N ATOM 550 CA VAL A 76 3.522 -5.402 -1.157 1.00 0.00 C ATOM 551 C VAL A 76 2.071 -5.144 -0.748 1.00 0.00 C ATOM 552 O VAL A 76 1.818 -4.764 0.397 1.00 0.00 O ATOM 553 CB VAL A 76 4.204 -4.279 -1.957 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.311 -3.499 -2.925 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.795 -3.245 -0.990 1.00 0.00 C ATOM 0 H VAL A 76 3.929 -6.588 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 76 4.076 -5.436 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 76 4.947 -4.804 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.902 -2.735 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.892 -4.182 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.502 -3.023 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.278 -2.450 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.998 -2.822 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.529 -3.728 -0.345 1.00 0.00 H new ATOM 556 N ALA A 77 1.109 -5.402 -1.644 1.00 0.00 N ATOM 557 CA ALA A 77 -0.294 -5.324 -1.270 1.00 0.00 C ATOM 558 C ALA A 77 -0.608 -6.244 -0.085 1.00 0.00 C ATOM 559 O ALA A 77 -1.120 -5.784 0.936 1.00 0.00 O ATOM 560 CB ALA A 77 -1.171 -5.651 -2.474 1.00 0.00 C ATOM 0 H ALA A 77 1.280 -5.662 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.511 -4.305 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.221 -5.591 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.972 -4.937 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.948 -6.659 -2.824 1.00 0.00 H new ATOM 561 N ALA A 78 -0.299 -7.539 -0.213 1.00 0.00 N ATOM 562 CA ALA A 78 -0.516 -8.516 0.848 1.00 0.00 C ATOM 563 C ALA A 78 0.099 -8.061 2.177 1.00 0.00 C ATOM 564 O ALA A 78 -0.561 -8.108 3.210 1.00 0.00 O ATOM 565 CB ALA A 78 0.030 -9.881 0.418 1.00 0.00 C ATOM 0 H ALA A 78 0.109 -7.935 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.589 -8.605 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.135 -10.606 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.484 -10.210 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.098 -9.799 0.218 1.00 0.00 H new ATOM 566 N TYR A 79 1.351 -7.603 2.156 1.00 0.00 N ATOM 567 CA TYR A 79 2.058 -7.101 3.327 1.00 0.00 C ATOM 568 C TYR A 79 1.302 -5.948 3.970 1.00 0.00 C ATOM 569 O TYR A 79 1.022 -5.975 5.165 1.00 0.00 O ATOM 570 CB TYR A 79 3.455 -6.638 2.912 1.00 0.00 C ATOM 571 CG TYR A 79 4.257 -5.976 4.016 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.695 -6.730 5.120 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.477 -4.586 3.989 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.368 -6.100 6.181 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.146 -3.958 5.052 1.00 0.00 C ATOM 576 CZ TYR A 79 5.610 -4.718 6.138 1.00 0.00 C ATOM 577 OH TYR A 79 6.291 -4.112 7.152 1.00 0.00 O ATOM 0 H TYR A 79 1.911 -7.571 1.304 1.00 0.00 H new ATOM 0 HA TYR A 79 2.135 -7.905 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.013 -7.498 2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.359 -5.939 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.514 -7.794 5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.131 -4.002 3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.699 -6.680 7.030 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.304 -2.890 5.034 1.00 0.00 H new ATOM 0 HH TYR A 79 6.372 -3.154 6.964 1.00 0.00 H new ATOM 578 N VAL A 80 0.985 -4.919 3.188 1.00 0.00 N ATOM 579 CA VAL A 80 0.217 -3.790 3.667 1.00 0.00 C ATOM 580 C VAL A 80 -1.085 -4.281 4.315 1.00 0.00 C ATOM 581 O VAL A 80 -1.433 -3.856 5.419 1.00 0.00 O ATOM 582 CB VAL A 80 0.008 -2.838 2.482 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.149 -1.883 2.727 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.282 -2.024 2.222 1.00 0.00 C ATOM 0 H VAL A 80 1.256 -4.851 2.207 1.00 0.00 H new ATOM 0 HA VAL A 80 0.738 -3.239 4.450 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.226 -3.451 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.266 -1.225 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.066 -2.453 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.946 -1.285 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.119 -1.353 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.528 -1.440 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.106 -2.700 1.994 1.00 0.00 H new ATOM 585 N TYR A 81 -1.791 -5.194 3.644 1.00 0.00 N ATOM 586 CA TYR A 81 -3.020 -5.778 4.161 1.00 0.00 C ATOM 587 C TYR A 81 -2.778 -6.450 5.515 1.00 0.00 C ATOM 588 O TYR A 81 -3.519 -6.213 6.466 1.00 0.00 O ATOM 589 CB TYR A 81 -3.598 -6.763 3.139 1.00 0.00 C ATOM 590 CG TYR A 81 -5.091 -6.976 3.271 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.969 -6.150 2.550 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.606 -8.011 4.075 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.352 -6.368 2.613 1.00 0.00 C ATOM 594 CE2 TYR A 81 -6.995 -8.217 4.148 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.871 -7.387 3.427 1.00 0.00 C ATOM 596 OH TYR A 81 -9.217 -7.589 3.510 1.00 0.00 O ATOM 0 H TYR A 81 -1.522 -5.546 2.725 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.749 -4.984 4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.380 -6.400 2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.093 -7.723 3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.577 -5.345 1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.935 -8.646 4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.021 -5.750 2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.390 -9.015 4.760 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.687 -6.835 3.096 1.00 0.00 H new ATOM 597 N ASP A 82 -1.736 -7.281 5.603 1.00 0.00 N ATOM 598 CA ASP A 82 -1.355 -7.990 6.816 1.00 0.00 C ATOM 599 C ASP A 82 -1.045 -7.018 7.959 1.00 0.00 C ATOM 600 O ASP A 82 -1.501 -7.207 9.091 1.00 0.00 O ATOM 601 CB ASP A 82 -0.139 -8.886 6.546 1.00 0.00 C ATOM 602 CG ASP A 82 0.300 -9.509 7.856 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.506 -10.213 8.498 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.349 -9.101 8.391 1.00 0.00 O ATOM 0 H ASP A 82 -1.123 -7.480 4.812 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.199 -8.609 7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.393 -9.662 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.673 -8.302 6.113 1.00 0.00 H new ATOM 605 N GLN A 83 -0.241 -5.991 7.676 1.00 0.00 N ATOM 606 CA GLN A 83 0.110 -4.956 8.625 1.00 0.00 C ATOM 607 C GLN A 83 -1.150 -4.274 9.146 1.00 0.00 C ATOM 608 O GLN A 83 -1.336 -4.171 10.358 1.00 0.00 O ATOM 609 CB GLN A 83 1.029 -3.939 7.945 1.00 0.00 C ATOM 610 CG GLN A 83 2.438 -4.466 7.682 1.00 0.00 C ATOM 611 CD GLN A 83 3.265 -4.516 8.960 1.00 0.00 C ATOM 612 OE1 GLN A 83 3.710 -5.572 9.395 1.00 0.00 O ATOM 613 NE2 GLN A 83 3.425 -3.357 9.587 1.00 0.00 N ATOM 0 H GLN A 83 0.188 -5.862 6.760 1.00 0.00 H new ATOM 0 HA GLN A 83 0.633 -5.399 9.472 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.582 -3.634 6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.094 -3.047 8.569 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.379 -5.464 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.935 -3.828 6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.037 -2.503 9.187 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.936 -3.321 10.469 1.00 0.00 H new ATOM 614 N ALA A 84 -2.012 -3.819 8.232 1.00 0.00 N ATOM 615 CA ALA A 84 -3.270 -3.176 8.576 1.00 0.00 C ATOM 616 C ALA A 84 -4.127 -4.103 9.444 1.00 0.00 C ATOM 617 O ALA A 84 -4.438 -3.768 10.585 1.00 0.00 O ATOM 618 CB ALA A 84 -3.994 -2.764 7.292 1.00 0.00 C ATOM 0 H ALA A 84 -1.849 -3.890 7.228 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.077 -2.278 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.938 -2.281 7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.370 -2.069 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.190 -3.648 6.685 1.00 0.00 H new ATOM 619 N ALA A 85 -4.486 -5.279 8.919 1.00 0.00 N ATOM 620 CA ALA A 85 -5.316 -6.267 9.603 1.00 0.00 C ATOM 621 C ALA A 85 -4.765 -6.579 10.992 1.00 0.00 C ATOM 622 O ALA A 85 -5.498 -6.589 11.977 1.00 0.00 O ATOM 623 CB ALA A 85 -5.379 -7.562 8.785 1.00 0.00 C ATOM 0 H ALA A 85 -4.199 -5.574 7.986 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.317 -5.847 9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.001 -8.291 9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.808 -7.353 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.373 -7.964 8.663 1.00 0.00 H new ATOM 624 N GLY A 86 -3.464 -6.859 11.053 1.00 0.00 N ATOM 625 CA GLY A 86 -2.786 -7.240 12.276 1.00 0.00 C ATOM 626 C GLY A 86 -2.604 -6.076 13.249 1.00 0.00 C ATOM 627 O GLY A 86 -2.252 -6.311 14.401 1.00 0.00 O ATOM 0 H GLY A 86 -2.849 -6.825 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.353 -8.031 12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.809 -7.655 12.028 1.00 0.00 H new ATOM 628 N ASN A 87 -2.749 -4.835 12.776 1.00 0.00 N ATOM 629 CA ASN A 87 -2.215 -3.651 13.430 1.00 0.00 C ATOM 630 C ASN A 87 -0.745 -3.859 13.799 1.00 0.00 C ATOM 631 O ASN A 87 -0.381 -3.890 14.973 1.00 0.00 O ATOM 632 CB ASN A 87 -3.068 -3.192 14.624 1.00 0.00 C ATOM 633 CG ASN A 87 -2.728 -1.736 14.945 1.00 0.00 C ATOM 634 OD1 ASN A 87 -3.549 -0.854 14.718 1.00 0.00 O ATOM 635 ND2 ASN A 87 -1.503 -1.469 15.386 1.00 0.00 N ATOM 0 H ASN A 87 -3.251 -4.628 11.912 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.264 -2.830 12.714 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.128 -3.289 14.389 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.875 -3.824 15.491 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.218 -0.503 15.547 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.848 -2.230 15.564 1.00 0.00 H new ATOM 636 N LYS A 88 0.109 -3.975 12.783 1.00 0.00 N ATOM 637 CA LYS A 88 1.548 -3.915 12.937 1.00 0.00 C ATOM 638 C LYS A 88 2.088 -2.570 12.424 1.00 0.00 C ATOM 639 O LYS A 88 3.294 -2.443 12.208 1.00 0.00 O ATOM 640 CB LYS A 88 2.163 -5.127 12.231 1.00 0.00 C ATOM 641 CG LYS A 88 1.943 -6.447 12.985 1.00 0.00 C ATOM 642 CD LYS A 88 0.712 -7.212 12.486 1.00 0.00 C ATOM 643 CE LYS A 88 1.050 -8.042 11.237 1.00 0.00 C ATOM 644 NZ LYS A 88 -0.062 -8.858 10.715 1.00 0.00 N ATOM 0 H LYS A 88 -0.192 -4.115 11.818 1.00 0.00 H new ATOM 0 HA LYS A 88 1.829 -3.964 13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.736 -5.212 11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.233 -4.962 12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.826 -7.076 12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.830 -6.239 14.049 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.343 -7.868 13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.089 -6.509 12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.387 -7.367 10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.886 -8.701 11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.316 -9.607 10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.579 -9.289 11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.709 -8.254 10.168 1.00 0.00 H new ATOM 645 N TRP A 89 1.209 -1.575 12.250 1.00 0.00 N ATOM 646 CA TRP A 89 1.572 -0.170 12.317 1.00 0.00 C ATOM 647 C TRP A 89 1.412 0.276 13.774 1.00 0.00 C ATOM 648 O TRP A 89 2.435 0.676 14.367 1.00 0.00 O ATOM 649 CB TRP A 89 0.648 0.648 11.411 1.00 0.00 C ATOM 650 CG TRP A 89 0.492 0.126 10.021 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.681 -0.199 9.441 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.522 -0.160 9.030 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.448 -0.631 8.157 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.887 -0.593 7.830 1.00 0.00 C ATOM 655 CE3 TRP A 89 2.930 -0.109 9.022 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.605 -0.913 6.668 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.661 -0.504 7.892 1.00 0.00 C ATOM 658 CH2 TRP A 89 3.007 -0.866 6.701 1.00 0.00 C ATOM 659 OXT TRP A 89 0.265 0.184 14.277 1.00 0.00 O ATOM 0 H TRP A 89 0.220 -1.733 12.058 1.00 0.00 H new ATOM 0 HA TRP A 89 2.598 -0.018 11.982 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.337 0.699 11.875 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.028 1.668 11.358 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.651 -0.131 9.911 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.181 -0.944 7.520 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.454 0.240 9.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.087 -1.191 5.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.740 -0.530 7.937 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.580 -1.106 5.818 1.00 0.00 H new TER 660 TRP A 89 HETATM 661 FE HEM A 90 0.759 5.187 -1.118 1.00 0.00 FE HETATM 662 CHA HEM A 90 -2.549 5.979 -0.383 1.00 0.00 C HETATM 663 CHB HEM A 90 0.165 1.886 -0.449 1.00 0.00 C HETATM 664 CHC HEM A 90 3.918 4.450 -2.321 1.00 0.00 C HETATM 665 CHD HEM A 90 1.442 8.602 -1.481 1.00 0.00 C HETATM 666 NA HEM A 90 -0.901 4.123 -0.574 1.00 0.00 N HETATM 667 C1A HEM A 90 -2.139 4.648 -0.327 1.00 0.00 C HETATM 668 C2A HEM A 90 -2.995 3.564 0.090 1.00 0.00 C HETATM 669 C3A HEM A 90 -2.237 2.416 0.065 1.00 0.00 C HETATM 670 C4A HEM A 90 -0.899 2.784 -0.332 1.00 0.00 C HETATM 671 CMA HEM A 90 -2.712 1.021 0.363 1.00 0.00 C HETATM 672 CAA HEM A 90 -4.380 3.724 0.670 1.00 0.00 C HETATM 673 CBA HEM A 90 -4.327 4.164 2.138 1.00 0.00 C HETATM 674 CGA HEM A 90 -5.685 4.615 2.654 1.00 0.00 C HETATM 675 O1A HEM A 90 -5.688 5.349 3.665 1.00 0.00 O HETATM 676 O2A HEM A 90 -6.689 4.290 1.989 1.00 0.00 O HETATM 677 NB HEM A 90 1.851 3.470 -1.343 1.00 0.00 N HETATM 678 C1B HEM A 90 1.410 2.232 -0.985 1.00 0.00 C HETATM 679 C2B HEM A 90 2.472 1.296 -1.274 1.00 0.00 C HETATM 680 C3B HEM A 90 3.495 2.003 -1.874 1.00 0.00 C HETATM 681 C4B HEM A 90 3.109 3.396 -1.877 1.00 0.00 C HETATM 682 CMB HEM A 90 2.476 -0.176 -0.931 1.00 0.00 C HETATM 683 CAB HEM A 90 4.805 1.438 -2.392 1.00 0.00 C HETATM 684 CBB HEM A 90 4.653 0.610 -3.671 1.00 0.00 C HETATM 685 NC HEM A 90 2.382 6.321 -1.792 1.00 0.00 N HETATM 686 C1C HEM A 90 3.566 5.792 -2.207 1.00 0.00 C HETATM 687 C2C HEM A 90 4.460 6.889 -2.494 1.00 0.00 C HETATM 688 C3C HEM A 90 3.806 8.052 -2.148 1.00 0.00 C HETATM 689 C4C HEM A 90 2.450 7.687 -1.797 1.00 0.00 C HETATM 690 CMC HEM A 90 5.887 6.760 -2.978 1.00 0.00 C HETATM 691 CAC HEM A 90 4.439 9.415 -1.923 1.00 0.00 C HETATM 692 CBC HEM A 90 4.867 10.137 -3.202 1.00 0.00 C HETATM 693 ND HEM A 90 -0.356 6.981 -0.946 1.00 0.00 N HETATM 694 C1D HEM A 90 0.144 8.239 -1.128 1.00 0.00 C HETATM 695 C2D HEM A 90 -0.953 9.166 -0.959 1.00 0.00 C HETATM 696 C3D HEM A 90 -2.080 8.423 -0.713 1.00 0.00 C HETATM 697 C4D HEM A 90 -1.686 7.037 -0.658 1.00 0.00 C HETATM 698 CMD HEM A 90 -0.946 10.663 -1.133 1.00 0.00 C HETATM 699 CAD HEM A 90 -3.490 8.953 -0.721 1.00 0.00 C HETATM 700 CBD HEM A 90 -4.035 9.064 -2.150 1.00 0.00 C HETATM 701 CGD HEM A 90 -5.442 8.505 -2.267 1.00 0.00 C HETATM 702 O1D HEM A 90 -6.340 9.284 -2.645 1.00 0.00 O HETATM 703 O2D HEM A 90 -5.590 7.282 -2.044 1.00 0.00 O HETATM 0 HMA1 HEM A 90 -2.143 0.308 -0.233 1.00 0.00 H new HETATM 0 HMA2 HEM A 90 -3.770 0.937 0.116 1.00 0.00 H new HETATM 0 HMA3 HEM A 90 -2.568 0.806 1.422 1.00 0.00 H new HETATM 0 HMB1 HEM A 90 3.067 -0.720 -1.668 1.00 0.00 H new HETATM 0 HMB2 HEM A 90 1.453 -0.553 -0.935 1.00 0.00 H new HETATM 0 HMB3 HEM A 90 2.911 -0.318 0.058 1.00 0.00 H new HETATM 0 HMC1 HEM A 90 6.141 7.622 -3.594 1.00 0.00 H new HETATM 0 HMC2 HEM A 90 5.990 5.849 -3.568 1.00 0.00 H new HETATM 0 HMC3 HEM A 90 6.559 6.715 -2.121 1.00 0.00 H new HETATM 0 HMD1 HEM A 90 0.043 11.053 -0.894 1.00 0.00 H new HETATM 0 HMD2 HEM A 90 -1.683 11.110 -0.466 1.00 0.00 H new HETATM 0 HMD3 HEM A 90 -1.193 10.910 -2.165 1.00 0.00 H new HETATM 0 HBB1 HEM A 90 5.529 0.155 -4.133 1.00 0.00 H new HETATM 0 HBB2 HEM A 90 3.669 0.476 -4.119 1.00 0.00 H new HETATM 0 HBC1 HEM A 90 5.331 11.122 -3.143 1.00 0.00 H new HETATM 0 HBC2 HEM A 90 4.708 9.667 -4.172 1.00 0.00 H new HETATM 0 HBA1 HEM A 90 -3.611 4.979 2.245 1.00 0.00 H new HETATM 0 HBA2 HEM A 90 -3.964 3.338 2.750 1.00 0.00 H new HETATM 0 HAA1 HEM A 90 -4.920 2.780 0.591 1.00 0.00 H new HETATM 0 HAA2 HEM A 90 -4.936 4.459 0.089 1.00 0.00 H new HETATM 0 HBD1 HEM A 90 -3.374 8.529 -2.833 1.00 0.00 H new HETATM 0 HBD2 HEM A 90 -4.033 10.109 -2.458 1.00 0.00 H new HETATM 0 HAD1 HEM A 90 -3.516 9.932 -0.243 1.00 0.00 H new HETATM 0 HAD2 HEM A 90 -4.132 8.295 -0.135 1.00 0.00 H new HETATM 0 HHA HEM A 90 -3.591 6.202 -0.204 1.00 0.00 H new HETATM 0 HHB HEM A 90 0.019 0.872 -0.108 1.00 0.00 H new HETATM 0 HHC HEM A 90 4.867 4.208 -2.777 1.00 0.00 H new HETATM 0 HHD HEM A 90 1.684 9.654 -1.512 1.00 0.00 H new HETATM 0 HAB HEM A 90 5.763 1.606 -1.900 1.00 0.00 H new HETATM 0 HAC HEM A 90 4.577 9.844 -0.930 1.00 0.00 H new