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 24 ASN : amide:sc= 3.19 K(o=2.1,f=-12!) USER MOD Set 1.2: A 90 HEM CMD :methyl 150:sc= -1.07 (180deg=-1.07) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.926 K(o=2.7,f=-5.1!) USER MOD Set 2.2: A 87 ASN : amide:sc= 1.75 K(o=2.7,f=-6.3) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 164:sc= -0.405! (180deg=-1.14!) USER MOD Set 3.2: A 79 TYR OH : rot -49:sc= 1.05 USER MOD Set 3.3: A 83 GLN : amide:sc= 0.984 K(o=1.6,f=-1.9) USER MOD Set 4.1: A 53 GLN : amide:sc= 0.897 K(o=3.2,f=-9.7!) USER MOD Set 4.2: A 58 LYS NZ :NH3+ -164:sc= 2.31 (180deg=0.653) USER MOD Single : A 1 GLU N :NH3+ -152:sc= 1.21 (180deg=-2.82!) USER MOD Single : A 14 ASN : amide:sc= 1.03 K(o=1,f=0.47) USER MOD Single : A 25 ASN : amide:sc= 0.832 K(o=0.83,f=-0.049) USER MOD Single : A 30 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-5.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 34 LYS NZ :NH3+ -113:sc= 0.696 (180deg=-3.3!) USER MOD Single : A 39 GLN : amide:sc= 0.985 K(o=0.99,f=0) USER MOD Single : A 46 ASN : amide:sc= 1.16 K(o=1.2,f=-0.00027) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.52 K(o=1.5,f=0.041) USER MOD Single : A 61 MET CE :methyl -173:sc= -0.107 (180deg=-0.234) USER MOD Single : A 81 TYR OH : rot 170:sc= 1.18 USER MOD Single : A 88 LYS NZ :NH3+ -149:sc= 0.921 (180deg=-2.81!) USER MOD Single : A 90 HEM CMA :methyl -30:sc= -0.221 (180deg=-0.383) USER MOD Single : A 90 HEM CMB :methyl 150:sc= -0.757 (180deg=-0.757) USER MOD Single : A 90 HEM CMC :methyl 150:sc= -0.619 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.679 -15.198 -4.757 1.00 0.00 N ATOM 2 CA GLU A 1 4.275 -15.627 -4.725 1.00 0.00 C ATOM 3 C GLU A 1 3.475 -14.806 -3.706 1.00 0.00 C ATOM 4 O GLU A 1 2.834 -15.357 -2.816 1.00 0.00 O ATOM 5 CB GLU A 1 4.130 -17.155 -4.563 1.00 0.00 C ATOM 6 CG GLU A 1 4.837 -17.770 -3.342 1.00 0.00 C ATOM 7 CD GLU A 1 6.327 -17.987 -3.559 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.047 -16.971 -3.441 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.702 -19.130 -3.889 1.00 0.00 O ATOM 0 H1 GLU A 1 6.077 -15.382 -5.700 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.736 -14.181 -4.549 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.220 -15.728 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 1 3.832 -15.415 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.069 -17.396 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.516 -17.635 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.693 -17.118 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.369 -18.724 -3.102 1.00 0.00 H new ATOM 10 N ALA A 2 3.501 -13.476 -3.854 1.00 0.00 N ATOM 11 CA ALA A 2 2.805 -12.534 -2.986 1.00 0.00 C ATOM 12 C ALA A 2 3.236 -12.693 -1.523 1.00 0.00 C ATOM 13 O ALA A 2 2.415 -12.619 -0.611 1.00 0.00 O ATOM 14 CB ALA A 2 1.286 -12.656 -3.165 1.00 0.00 C ATOM 0 H ALA A 2 4.022 -13.019 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 2 3.087 -11.523 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.784 -11.945 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.023 -12.442 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.970 -13.668 -2.913 1.00 0.00 H new ATOM 15 N ASP A 3 4.537 -12.904 -1.305 1.00 0.00 N ATOM 16 CA ASP A 3 5.093 -13.091 0.026 1.00 0.00 C ATOM 17 C ASP A 3 5.104 -11.768 0.802 1.00 0.00 C ATOM 18 O ASP A 3 5.244 -10.683 0.235 1.00 0.00 O ATOM 19 CB ASP A 3 6.477 -13.751 -0.070 1.00 0.00 C ATOM 20 CG ASP A 3 7.313 -13.558 1.187 1.00 0.00 C ATOM 21 OD1 ASP A 3 6.773 -13.724 2.305 1.00 0.00 O ATOM 22 OD2 ASP A 3 8.470 -13.131 1.021 1.00 0.00 O ATOM 0 H ASP A 3 5.230 -12.949 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 3 4.458 -13.769 0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.353 -14.818 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.013 -13.337 -0.924 1.00 0.00 H new ATOM 23 N LEU A 4 4.966 -11.888 2.120 1.00 0.00 N ATOM 24 CA LEU A 4 4.955 -10.794 3.066 1.00 0.00 C ATOM 25 C LEU A 4 6.374 -10.273 3.287 1.00 0.00 C ATOM 26 O LEU A 4 6.549 -9.070 3.459 1.00 0.00 O ATOM 27 CB LEU A 4 4.336 -11.247 4.393 1.00 0.00 C ATOM 28 CG LEU A 4 2.954 -11.905 4.251 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.374 -12.107 5.653 1.00 0.00 C ATOM 30 CD2 LEU A 4 1.969 -11.073 3.421 1.00 0.00 C ATOM 0 H LEU A 4 4.854 -12.796 2.571 1.00 0.00 H new ATOM 0 HA LEU A 4 4.348 -9.984 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.014 -11.951 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.249 -10.385 5.054 1.00 0.00 H new ATOM 0 HG LEU A 4 3.092 -12.850 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.392 -12.573 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.037 -12.750 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.280 -11.142 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.014 -11.594 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.823 -10.102 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.369 -10.930 2.417 1.00 0.00 H new ATOM 31 N ALA A 5 7.391 -11.143 3.298 1.00 0.00 N ATOM 32 CA ALA A 5 8.769 -10.692 3.486 1.00 0.00 C ATOM 33 C ALA A 5 9.255 -9.951 2.238 1.00 0.00 C ATOM 34 O ALA A 5 9.803 -8.857 2.351 1.00 0.00 O ATOM 35 CB ALA A 5 9.680 -11.862 3.866 1.00 0.00 C ATOM 0 H ALA A 5 7.285 -12.151 3.180 1.00 0.00 H new ATOM 0 HA ALA A 5 8.805 -9.988 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.700 -11.501 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.328 -12.310 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.662 -12.610 3.073 1.00 0.00 H new ATOM 36 N LEU A 6 9.014 -10.506 1.049 1.00 0.00 N ATOM 37 CA LEU A 6 9.165 -9.833 -0.225 1.00 0.00 C ATOM 38 C LEU A 6 8.426 -8.494 -0.162 1.00 0.00 C ATOM 39 O LEU A 6 9.025 -7.436 -0.345 1.00 0.00 O ATOM 40 CB LEU A 6 8.599 -10.766 -1.308 1.00 0.00 C ATOM 41 CG LEU A 6 8.560 -10.135 -2.703 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.966 -9.960 -3.287 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.706 -10.994 -3.644 1.00 0.00 C ATOM 0 H LEU A 6 8.698 -11.471 0.952 1.00 0.00 H new ATOM 0 HA LEU A 6 10.207 -9.618 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.202 -11.673 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.590 -11.066 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 6 8.114 -9.145 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.895 -9.510 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.553 -9.313 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.451 -10.933 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.684 -10.538 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.136 -11.993 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.691 -11.062 -3.253 1.00 0.00 H new ATOM 44 N GLY A 7 7.122 -8.543 0.127 1.00 0.00 N ATOM 45 CA GLY A 7 6.297 -7.359 0.273 1.00 0.00 C ATOM 46 C GLY A 7 6.938 -6.323 1.194 1.00 0.00 C ATOM 47 O GLY A 7 6.978 -5.140 0.867 1.00 0.00 O ATOM 0 H GLY A 7 6.614 -9.416 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.124 -6.915 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.323 -7.643 0.670 1.00 0.00 H new ATOM 48 N LYS A 8 7.466 -6.752 2.339 1.00 0.00 N ATOM 49 CA LYS A 8 8.156 -5.871 3.251 1.00 0.00 C ATOM 50 C LYS A 8 9.386 -5.260 2.589 1.00 0.00 C ATOM 51 O LYS A 8 9.526 -4.044 2.574 1.00 0.00 O ATOM 52 CB LYS A 8 8.521 -6.619 4.533 1.00 0.00 C ATOM 53 CG LYS A 8 9.244 -5.628 5.439 1.00 0.00 C ATOM 54 CD LYS A 8 9.313 -6.141 6.873 1.00 0.00 C ATOM 55 CE LYS A 8 10.048 -5.143 7.783 1.00 0.00 C ATOM 56 NZ LYS A 8 9.630 -3.743 7.543 1.00 0.00 N ATOM 0 H LYS A 8 7.422 -7.722 2.651 1.00 0.00 H new ATOM 0 HA LYS A 8 7.490 -5.051 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.627 -7.006 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.159 -7.475 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.252 -5.456 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.728 -4.668 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.305 -6.309 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.825 -7.103 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.861 -5.401 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.122 -5.231 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.935 -3.148 8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.066 -3.396 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.595 -3.700 7.456 1.00 0.00 H new ATOM 57 N ALA A 9 10.289 -6.093 2.073 1.00 0.00 N ATOM 58 CA ALA A 9 11.491 -5.637 1.384 1.00 0.00 C ATOM 59 C ALA A 9 11.158 -4.545 0.360 1.00 0.00 C ATOM 60 O ALA A 9 11.814 -3.504 0.320 1.00 0.00 O ATOM 61 CB ALA A 9 12.200 -6.823 0.726 1.00 0.00 C ATOM 0 H ALA A 9 10.205 -7.108 2.123 1.00 0.00 H new ATOM 0 HA ALA A 9 12.168 -5.197 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.096 -6.473 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.479 -7.549 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.531 -7.293 0.005 1.00 0.00 H new ATOM 62 N VAL A 10 10.115 -4.764 -0.445 1.00 0.00 N ATOM 63 CA VAL A 10 9.614 -3.758 -1.360 1.00 0.00 C ATOM 64 C VAL A 10 9.186 -2.518 -0.576 1.00 0.00 C ATOM 65 O VAL A 10 9.692 -1.427 -0.841 1.00 0.00 O ATOM 66 CB VAL A 10 8.453 -4.343 -2.177 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.847 -3.291 -3.107 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.902 -5.527 -3.034 1.00 0.00 C ATOM 0 H VAL A 10 9.601 -5.645 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 10 10.398 -3.458 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 10 7.710 -4.678 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.027 -3.734 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.470 -2.456 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.611 -2.932 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.052 -5.912 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.678 -5.201 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.297 -6.313 -2.390 1.00 0.00 H new ATOM 69 N PHE A 11 8.253 -2.683 0.366 1.00 0.00 N ATOM 70 CA PHE A 11 7.671 -1.612 1.164 1.00 0.00 C ATOM 71 C PHE A 11 8.744 -0.679 1.714 1.00 0.00 C ATOM 72 O PHE A 11 8.768 0.519 1.428 1.00 0.00 O ATOM 73 CB PHE A 11 6.837 -2.207 2.306 1.00 0.00 C ATOM 74 CG PHE A 11 6.075 -1.164 3.092 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.874 -0.658 2.569 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.657 -0.562 4.224 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.300 0.495 3.123 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.053 0.565 4.808 1.00 0.00 C ATOM 79 CZ PHE A 11 4.882 1.102 4.248 1.00 0.00 C ATOM 0 H PHE A 11 7.872 -3.600 0.598 1.00 0.00 H new ATOM 0 HA PHE A 11 7.023 -1.020 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.132 -2.929 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.495 -2.753 2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.393 -1.157 1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.567 -0.966 4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.408 0.917 2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.489 1.018 5.686 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.429 1.981 4.682 1.00 0.00 H new ATOM 80 N ASP A 12 9.642 -1.269 2.495 1.00 0.00 N ATOM 81 CA ASP A 12 10.750 -0.631 3.166 1.00 0.00 C ATOM 82 C ASP A 12 11.588 0.198 2.183 1.00 0.00 C ATOM 83 O ASP A 12 12.095 1.252 2.558 1.00 0.00 O ATOM 84 CB ASP A 12 11.580 -1.726 3.854 1.00 0.00 C ATOM 85 CG ASP A 12 10.891 -2.414 5.034 1.00 0.00 C ATOM 86 OD1 ASP A 12 9.672 -2.259 5.260 1.00 0.00 O ATOM 87 OD2 ASP A 12 11.561 -3.153 5.785 1.00 0.00 O ATOM 0 H ASP A 12 9.606 -2.271 2.683 1.00 0.00 H new ATOM 0 HA ASP A 12 10.386 0.070 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.841 -2.482 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.514 -1.287 4.204 1.00 0.00 H new ATOM 88 N GLY A 13 11.736 -0.256 0.931 1.00 0.00 N ATOM 89 CA GLY A 13 12.527 0.454 -0.063 1.00 0.00 C ATOM 90 C GLY A 13 11.717 1.542 -0.771 1.00 0.00 C ATOM 91 O GLY A 13 12.223 2.632 -1.027 1.00 0.00 O ATOM 0 H GLY A 13 11.312 -1.118 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.395 0.904 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.904 -0.255 -0.800 1.00 0.00 H new ATOM 92 N ASN A 14 10.480 1.218 -1.152 1.00 0.00 N ATOM 93 CA ASN A 14 9.733 1.933 -2.184 1.00 0.00 C ATOM 94 C ASN A 14 8.643 2.825 -1.600 1.00 0.00 C ATOM 95 O ASN A 14 8.333 3.879 -2.156 1.00 0.00 O ATOM 96 CB ASN A 14 9.079 0.929 -3.145 1.00 0.00 C ATOM 97 CG ASN A 14 10.098 0.182 -3.994 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.369 0.562 -5.129 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.668 -0.892 -3.455 1.00 0.00 N ATOM 0 H ASN A 14 9.963 0.439 -0.745 1.00 0.00 H new ATOM 0 HA ASN A 14 10.447 2.566 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.494 0.211 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.384 1.457 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.353 -1.427 -3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.420 -1.180 -2.509 1.00 0.00 H new ATOM 100 N CYS A 15 8.004 2.356 -0.529 1.00 0.00 N ATOM 101 CA CYS A 15 6.722 2.852 -0.053 1.00 0.00 C ATOM 102 C CYS A 15 6.941 3.662 1.220 1.00 0.00 C ATOM 103 O CYS A 15 6.417 4.768 1.365 1.00 0.00 O ATOM 104 CB CYS A 15 5.805 1.684 0.212 1.00 0.00 C ATOM 105 SG CYS A 15 5.667 0.514 -1.178 1.00 0.00 S ATOM 0 H CYS A 15 8.378 1.600 0.044 1.00 0.00 H new ATOM 0 HA CYS A 15 6.263 3.494 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.163 1.147 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.812 2.063 0.453 1.00 0.00 H new ATOM 106 N ALA A 16 7.766 3.124 2.128 1.00 0.00 N ATOM 107 CA ALA A 16 8.162 3.768 3.375 1.00 0.00 C ATOM 108 C ALA A 16 8.617 5.214 3.159 1.00 0.00 C ATOM 109 O ALA A 16 8.399 6.062 4.020 1.00 0.00 O ATOM 110 CB ALA A 16 9.266 2.948 4.046 1.00 0.00 C ATOM 0 H ALA A 16 8.185 2.202 2.006 1.00 0.00 H new ATOM 0 HA ALA A 16 7.289 3.807 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.562 3.430 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.896 1.945 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.127 2.885 3.381 1.00 0.00 H new ATOM 111 N ALA A 17 9.215 5.492 1.994 1.00 0.00 N ATOM 112 CA ALA A 17 9.540 6.833 1.522 1.00 0.00 C ATOM 113 C ALA A 17 8.448 7.853 1.867 1.00 0.00 C ATOM 114 O ALA A 17 8.759 8.945 2.335 1.00 0.00 O ATOM 115 CB ALA A 17 9.754 6.789 0.005 1.00 0.00 C ATOM 0 H ALA A 17 9.493 4.763 1.337 1.00 0.00 H new ATOM 0 HA ALA A 17 10.450 7.157 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.998 7.788 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.574 6.109 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.843 6.439 -0.481 1.00 0.00 H new ATOM 116 N CYS A 18 7.182 7.497 1.623 1.00 0.00 N ATOM 117 CA CYS A 18 6.032 8.336 1.937 1.00 0.00 C ATOM 118 C CYS A 18 5.272 7.792 3.148 1.00 0.00 C ATOM 119 O CYS A 18 4.658 8.576 3.870 1.00 0.00 O ATOM 120 CB CYS A 18 5.122 8.448 0.741 1.00 0.00 C ATOM 121 SG CYS A 18 5.927 9.378 -0.598 1.00 0.00 S ATOM 0 H CYS A 18 6.930 6.606 1.196 1.00 0.00 H new ATOM 0 HA CYS A 18 6.395 9.332 2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.854 7.452 0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.195 8.945 1.029 1.00 0.00 H new ATOM 122 N HIS A 19 5.282 6.470 3.360 1.00 0.00 N ATOM 123 CA HIS A 19 4.456 5.783 4.350 1.00 0.00 C ATOM 124 C HIS A 19 5.267 5.129 5.472 1.00 0.00 C ATOM 125 O HIS A 19 4.858 4.084 5.975 1.00 0.00 O ATOM 126 CB HIS A 19 3.618 4.724 3.627 1.00 0.00 C ATOM 127 CG HIS A 19 2.670 5.288 2.610 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.527 5.994 2.896 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.662 4.995 1.274 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.838 6.113 1.750 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.484 5.518 0.734 1.00 0.00 N ATOM 0 H HIS A 19 5.882 5.836 2.832 1.00 0.00 H new ATOM 0 HA HIS A 19 3.824 6.530 4.830 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.288 4.020 3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.049 4.159 4.365 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.253 6.359 3.808 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.427 4.457 0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.111 6.620 1.657 1.00 0.00 H new ATOM 132 N ALA A 20 6.396 5.700 5.894 1.00 0.00 N ATOM 133 CA ALA A 20 7.152 5.197 7.041 1.00 0.00 C ATOM 134 C ALA A 20 6.217 4.834 8.207 1.00 0.00 C ATOM 135 O ALA A 20 5.444 5.673 8.660 1.00 0.00 O ATOM 136 CB ALA A 20 8.180 6.246 7.475 1.00 0.00 C ATOM 0 H ALA A 20 6.810 6.521 5.452 1.00 0.00 H new ATOM 0 HA ALA A 20 7.673 4.286 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.743 5.871 8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.863 6.449 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.666 7.166 7.754 1.00 0.00 H new ATOM 137 N GLY A 21 6.227 3.571 8.648 1.00 0.00 N ATOM 138 CA GLY A 21 5.324 3.075 9.686 1.00 0.00 C ATOM 139 C GLY A 21 3.845 3.196 9.297 1.00 0.00 C ATOM 140 O GLY A 21 2.997 3.479 10.138 1.00 0.00 O ATOM 0 H GLY A 21 6.867 2.862 8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.556 2.030 9.893 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.499 3.629 10.608 1.00 0.00 H new ATOM 141 N GLY A 22 3.532 3.012 8.012 1.00 0.00 N ATOM 142 CA GLY A 22 2.204 3.244 7.459 1.00 0.00 C ATOM 143 C GLY A 22 1.842 4.733 7.418 1.00 0.00 C ATOM 144 O GLY A 22 0.693 5.084 7.142 1.00 0.00 O ATOM 0 H GLY A 22 4.208 2.692 7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.156 2.833 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.466 2.709 8.057 1.00 0.00 H new ATOM 145 N GLY A 23 2.808 5.613 7.698 1.00 0.00 N ATOM 146 CA GLY A 23 2.572 6.999 8.048 1.00 0.00 C ATOM 147 C GLY A 23 2.655 7.892 6.826 1.00 0.00 C ATOM 148 O GLY A 23 3.730 8.380 6.498 1.00 0.00 O ATOM 0 H GLY A 23 3.797 5.366 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.589 7.099 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.305 7.320 8.788 1.00 0.00 H new ATOM 149 N ASN A 24 1.521 8.096 6.154 1.00 0.00 N ATOM 150 CA ASN A 24 1.415 8.996 5.011 1.00 0.00 C ATOM 151 C ASN A 24 2.048 10.357 5.313 1.00 0.00 C ATOM 152 O ASN A 24 1.555 11.087 6.167 1.00 0.00 O ATOM 153 CB ASN A 24 -0.051 9.173 4.634 1.00 0.00 C ATOM 154 CG ASN A 24 -0.169 9.688 3.208 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.501 10.636 2.801 1.00 0.00 O ATOM 156 ND2 ASN A 24 -0.984 9.010 2.417 1.00 0.00 N ATOM 0 H ASN A 24 0.643 7.635 6.393 1.00 0.00 H new ATOM 0 HA ASN A 24 1.957 8.554 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.576 8.222 4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.529 9.871 5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.072 9.268 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.524 8.229 2.790 1.00 0.00 H new ATOM 157 N ASN A 25 3.130 10.708 4.620 1.00 0.00 N ATOM 158 CA ASN A 25 3.822 11.982 4.799 1.00 0.00 C ATOM 159 C ASN A 25 3.208 13.089 3.936 1.00 0.00 C ATOM 160 O ASN A 25 3.571 14.251 4.105 1.00 0.00 O ATOM 161 CB ASN A 25 5.316 11.823 4.477 1.00 0.00 C ATOM 162 CG ASN A 25 6.121 11.238 5.636 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.963 11.918 6.213 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.888 9.981 5.997 1.00 0.00 N ATOM 0 H ASN A 25 3.555 10.110 3.912 1.00 0.00 H new ATOM 0 HA ASN A 25 3.708 12.277 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.427 11.179 3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.729 12.796 4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.413 9.566 6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.184 9.431 5.505 1.00 0.00 H new ATOM 165 N VAL A 26 2.318 12.753 2.995 1.00 0.00 N ATOM 166 CA VAL A 26 1.830 13.679 1.980 1.00 0.00 C ATOM 167 C VAL A 26 0.408 14.139 2.315 1.00 0.00 C ATOM 168 O VAL A 26 0.184 15.325 2.542 1.00 0.00 O ATOM 169 CB VAL A 26 1.926 13.008 0.602 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.441 13.941 -0.511 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.363 12.584 0.284 1.00 0.00 C ATOM 0 H VAL A 26 1.915 11.819 2.921 1.00 0.00 H new ATOM 0 HA VAL A 26 2.448 14.577 1.960 1.00 0.00 H new ATOM 0 HB VAL A 26 1.286 12.127 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.523 13.434 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.401 14.212 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.054 14.842 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.394 12.113 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.010 13.461 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.709 11.876 1.037 1.00 0.00 H new ATOM 172 N ILE A 27 -0.552 13.209 2.340 1.00 0.00 N ATOM 173 CA ILE A 27 -1.918 13.459 2.789 1.00 0.00 C ATOM 174 C ILE A 27 -2.016 12.805 4.178 1.00 0.00 C ATOM 175 O ILE A 27 -2.181 11.589 4.268 1.00 0.00 O ATOM 176 CB ILE A 27 -2.941 12.927 1.763 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.727 13.579 0.374 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.361 13.229 2.268 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.846 13.274 -0.625 1.00 0.00 C ATOM 0 H ILE A 27 -0.395 12.246 2.043 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.154 14.520 2.867 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.804 11.851 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.646 14.659 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.779 13.233 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.090 12.856 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.517 12.740 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.484 14.306 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.629 13.763 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.913 12.197 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.794 13.645 -0.234 1.00 0.00 H new ATOM 180 N PRO A 28 -1.816 13.574 5.261 1.00 0.00 N ATOM 181 CA PRO A 28 -1.300 13.065 6.527 1.00 0.00 C ATOM 182 C PRO A 28 -2.193 12.016 7.189 1.00 0.00 C ATOM 183 O PRO A 28 -1.696 11.065 7.787 1.00 0.00 O ATOM 184 CB PRO A 28 -1.096 14.295 7.421 1.00 0.00 C ATOM 185 CG PRO A 28 -2.015 15.350 6.808 1.00 0.00 C ATOM 186 CD PRO A 28 -1.951 15.019 5.319 1.00 0.00 C ATOM 0 HA PRO A 28 -0.368 12.527 6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.363 14.085 8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.056 14.622 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.031 15.278 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.666 16.362 7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.850 15.353 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.106 15.514 4.841 1.00 0.00 H new ATOM 187 N ASP A 29 -3.507 12.197 7.099 1.00 0.00 N ATOM 188 CA ASP A 29 -4.511 11.321 7.676 1.00 0.00 C ATOM 189 C ASP A 29 -4.701 10.048 6.846 1.00 0.00 C ATOM 190 O ASP A 29 -5.195 9.046 7.364 1.00 0.00 O ATOM 191 CB ASP A 29 -5.829 12.101 7.776 1.00 0.00 C ATOM 192 CG ASP A 29 -6.312 12.591 6.413 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.489 13.245 5.729 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.485 12.312 6.092 1.00 0.00 O ATOM 0 H ASP A 29 -3.913 12.990 6.602 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.181 11.004 8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.593 11.465 8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.695 12.954 8.441 1.00 0.00 H new ATOM 195 N HIS A 30 -4.295 10.048 5.574 1.00 0.00 N ATOM 196 CA HIS A 30 -4.579 8.966 4.639 1.00 0.00 C ATOM 197 C HIS A 30 -3.520 7.857 4.794 1.00 0.00 C ATOM 198 O HIS A 30 -2.840 7.473 3.841 1.00 0.00 O ATOM 199 CB HIS A 30 -4.687 9.591 3.238 1.00 0.00 C ATOM 200 CG HIS A 30 -5.642 8.913 2.288 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.627 7.591 1.926 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.629 9.523 1.558 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.551 7.418 0.964 1.00 0.00 C ATOM 204 NE2 HIS A 30 -7.186 8.571 0.705 1.00 0.00 N ATOM 0 H HIS A 30 -3.754 10.809 5.164 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.527 8.465 4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.991 10.632 3.348 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.695 9.595 2.785 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.924 10.559 1.631 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.754 6.480 0.468 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.928 8.721 0.021 1.00 0.00 H new ATOM 205 N THR A 31 -3.349 7.390 6.036 1.00 0.00 N ATOM 206 CA THR A 31 -2.334 6.433 6.465 1.00 0.00 C ATOM 207 C THR A 31 -2.699 5.009 6.047 1.00 0.00 C ATOM 208 O THR A 31 -3.865 4.722 5.804 1.00 0.00 O ATOM 209 CB THR A 31 -2.211 6.516 7.994 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.474 6.298 8.593 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.706 7.887 8.448 1.00 0.00 C ATOM 0 H THR A 31 -3.948 7.688 6.806 1.00 0.00 H new ATOM 0 HA THR A 31 -1.385 6.680 5.989 1.00 0.00 H new ATOM 0 HB THR A 31 -1.497 5.751 8.300 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.387 6.351 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.633 7.906 9.535 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.724 8.075 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.402 8.659 8.118 1.00 0.00 H new ATOM 212 N LEU A 32 -1.743 4.076 6.061 1.00 0.00 N ATOM 213 CA LEU A 32 -2.003 2.681 5.701 1.00 0.00 C ATOM 214 C LEU A 32 -2.665 1.909 6.852 1.00 0.00 C ATOM 215 O LEU A 32 -2.290 0.774 7.151 1.00 0.00 O ATOM 216 CB LEU A 32 -0.700 2.003 5.257 1.00 0.00 C ATOM 217 CG LEU A 32 0.076 2.790 4.192 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.204 1.909 3.656 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.810 3.204 3.017 1.00 0.00 C ATOM 0 H LEU A 32 -0.775 4.265 6.320 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.706 2.671 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.060 1.861 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.932 1.012 4.866 1.00 0.00 H new ATOM 0 HG LEU A 32 0.460 3.695 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.764 2.456 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.871 1.635 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.782 1.006 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.215 3.758 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.225 2.314 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.622 3.835 3.378 1.00 0.00 H new ATOM 220 N GLN A 33 -3.656 2.521 7.500 1.00 0.00 N ATOM 221 CA GLN A 33 -4.394 1.941 8.606 1.00 0.00 C ATOM 222 C GLN A 33 -5.631 1.243 8.066 1.00 0.00 C ATOM 223 O GLN A 33 -6.216 1.703 7.087 1.00 0.00 O ATOM 224 CB GLN A 33 -4.812 3.042 9.596 1.00 0.00 C ATOM 225 CG GLN A 33 -4.022 2.950 10.902 1.00 0.00 C ATOM 226 CD GLN A 33 -4.305 1.655 11.663 1.00 0.00 C ATOM 227 OE1 GLN A 33 -5.180 0.878 11.288 1.00 0.00 O ATOM 228 NE2 GLN A 33 -3.559 1.405 12.732 1.00 0.00 N ATOM 0 H GLN A 33 -3.971 3.460 7.258 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.761 1.222 9.126 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.654 4.020 9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.878 2.957 9.807 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.956 3.015 10.684 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.270 3.802 11.535 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.840 2.069 13.019 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.705 0.549 13.267 1.00 0.00 H new ATOM 229 N LYS A 34 -6.078 0.185 8.750 1.00 0.00 N ATOM 230 CA LYS A 34 -7.315 -0.492 8.422 1.00 0.00 C ATOM 231 C LYS A 34 -8.431 0.541 8.297 1.00 0.00 C ATOM 232 O LYS A 34 -9.032 0.700 7.241 1.00 0.00 O ATOM 233 CB LYS A 34 -7.617 -1.512 9.516 1.00 0.00 C ATOM 234 CG LYS A 34 -8.835 -2.333 9.098 1.00 0.00 C ATOM 235 CD LYS A 34 -9.117 -3.382 10.165 1.00 0.00 C ATOM 236 CE LYS A 34 -10.281 -4.293 9.746 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.561 -3.564 9.611 1.00 0.00 N ATOM 0 H LYS A 34 -5.584 -0.219 9.546 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.232 -1.018 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.758 -2.164 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.809 -1.006 10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.701 -1.683 8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.653 -2.814 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.223 -3.982 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.356 -2.891 11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.039 -4.771 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.397 -5.088 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.221 -3.882 10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.392 -2.543 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.971 -3.753 8.674 1.00 0.00 H new ATOM 238 N ALA A 35 -8.665 1.275 9.383 1.00 0.00 N ATOM 239 CA ALA A 35 -9.701 2.297 9.452 1.00 0.00 C ATOM 240 C ALA A 35 -9.565 3.340 8.336 1.00 0.00 C ATOM 241 O ALA A 35 -10.564 3.866 7.848 1.00 0.00 O ATOM 242 CB ALA A 35 -9.644 2.973 10.823 1.00 0.00 C ATOM 0 H ALA A 35 -8.134 1.174 10.248 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.667 1.812 9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.416 3.740 10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.809 2.229 11.603 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.665 3.432 10.962 1.00 0.00 H new ATOM 243 N ALA A 36 -8.333 3.678 7.949 1.00 0.00 N ATOM 244 CA ALA A 36 -8.090 4.737 6.981 1.00 0.00 C ATOM 245 C ALA A 36 -8.424 4.214 5.590 1.00 0.00 C ATOM 246 O ALA A 36 -9.145 4.860 4.835 1.00 0.00 O ATOM 247 CB ALA A 36 -6.638 5.200 7.084 1.00 0.00 C ATOM 0 H ALA A 36 -7.487 3.227 8.297 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.724 5.600 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.457 5.993 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.447 5.576 8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.973 4.361 6.878 1.00 0.00 H new ATOM 248 N ILE A 37 -7.988 2.986 5.308 1.00 0.00 N ATOM 249 CA ILE A 37 -8.415 2.266 4.126 1.00 0.00 C ATOM 250 C ILE A 37 -9.940 2.190 4.080 1.00 0.00 C ATOM 251 O ILE A 37 -10.543 2.633 3.109 1.00 0.00 O ATOM 252 CB ILE A 37 -7.725 0.890 4.082 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.419 0.953 3.287 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.611 -0.181 3.455 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.356 0.016 3.871 1.00 0.00 C ATOM 0 H ILE A 37 -7.332 2.471 5.895 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.111 2.797 3.224 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.523 0.623 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.611 0.683 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.042 1.976 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.080 -1.133 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.527 -0.281 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.859 0.105 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.443 0.088 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.145 0.302 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.723 -1.010 3.848 1.00 0.00 H new ATOM 256 N GLU A 38 -10.581 1.612 5.095 1.00 0.00 N ATOM 257 CA GLU A 38 -11.993 1.296 5.002 1.00 0.00 C ATOM 258 C GLU A 38 -12.848 2.551 4.789 1.00 0.00 C ATOM 259 O GLU A 38 -13.879 2.481 4.126 1.00 0.00 O ATOM 260 CB GLU A 38 -12.417 0.477 6.225 1.00 0.00 C ATOM 261 CG GLU A 38 -11.748 -0.904 6.166 1.00 0.00 C ATOM 262 CD GLU A 38 -12.063 -1.778 7.367 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.010 -1.273 8.512 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.232 -3.005 7.191 1.00 0.00 O ATOM 0 H GLU A 38 -10.144 1.358 5.981 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.164 0.683 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.130 0.994 7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.501 0.368 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.069 -1.416 5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.668 -0.774 6.094 1.00 0.00 H new ATOM 265 N GLN A 39 -12.418 3.694 5.329 1.00 0.00 N ATOM 266 CA GLN A 39 -13.002 4.984 4.999 1.00 0.00 C ATOM 267 C GLN A 39 -12.661 5.398 3.565 1.00 0.00 C ATOM 268 O GLN A 39 -13.550 5.598 2.741 1.00 0.00 O ATOM 269 CB GLN A 39 -12.477 6.032 5.984 1.00 0.00 C ATOM 270 CG GLN A 39 -13.076 5.806 7.371 1.00 0.00 C ATOM 271 CD GLN A 39 -12.442 6.733 8.399 1.00 0.00 C ATOM 272 OE1 GLN A 39 -13.051 7.700 8.845 1.00 0.00 O ATOM 273 NE2 GLN A 39 -11.206 6.437 8.784 1.00 0.00 N ATOM 0 H GLN A 39 -11.656 3.745 6.005 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.087 4.908 5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.390 5.978 6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.729 7.032 5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.152 5.976 7.338 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.926 4.769 7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.730 5.625 8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.732 7.022 9.472 1.00 0.00 H new ATOM 274 N PHE A 40 -11.373 5.625 3.306 1.00 0.00 N ATOM 275 CA PHE A 40 -10.918 6.386 2.148 1.00 0.00 C ATOM 276 C PHE A 40 -10.827 5.544 0.872 1.00 0.00 C ATOM 277 O PHE A 40 -11.179 6.027 -0.202 1.00 0.00 O ATOM 278 CB PHE A 40 -9.586 7.079 2.472 1.00 0.00 C ATOM 279 CG PHE A 40 -9.568 7.900 3.751 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.589 8.833 4.015 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.464 7.813 4.621 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.507 9.672 5.139 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.388 8.646 5.750 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.397 9.592 5.997 1.00 0.00 C ATOM 0 H PHE A 40 -10.615 5.284 3.897 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.671 7.146 1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.808 6.319 2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.324 7.731 1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.438 8.904 3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.674 7.104 4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.298 10.379 5.344 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.553 8.559 6.429 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.320 10.257 6.845 1.00 0.00 H new ATOM 285 N LEU A 41 -10.338 4.304 0.958 1.00 0.00 N ATOM 286 CA LEU A 41 -10.218 3.411 -0.178 1.00 0.00 C ATOM 287 C LEU A 41 -11.588 3.137 -0.804 1.00 0.00 C ATOM 288 O LEU A 41 -12.379 2.380 -0.246 1.00 0.00 O ATOM 289 CB LEU A 41 -9.566 2.093 0.276 1.00 0.00 C ATOM 290 CG LEU A 41 -8.604 1.472 -0.741 1.00 0.00 C ATOM 291 CD1 LEU A 41 -9.097 1.503 -2.187 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.268 2.199 -0.611 1.00 0.00 C ATOM 0 H LEU A 41 -10.012 3.895 1.834 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.592 3.885 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.025 2.272 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.353 1.372 0.499 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.515 0.411 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.352 1.042 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.035 0.953 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.257 2.536 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.556 1.782 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.409 3.260 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.884 2.076 0.401 1.00 0.00 H new ATOM 293 N ASP A 42 -11.831 3.691 -1.994 1.00 0.00 N ATOM 294 CA ASP A 42 -12.940 3.355 -2.883 1.00 0.00 C ATOM 295 C ASP A 42 -13.334 1.870 -2.798 1.00 0.00 C ATOM 296 O ASP A 42 -14.441 1.540 -2.376 1.00 0.00 O ATOM 297 CB ASP A 42 -12.568 3.774 -4.317 1.00 0.00 C ATOM 298 CG ASP A 42 -11.129 3.420 -4.673 1.00 0.00 C ATOM 299 OD1 ASP A 42 -10.872 2.234 -4.957 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.277 4.329 -4.556 1.00 0.00 O ATOM 0 H ASP A 42 -11.231 4.420 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.826 3.905 -2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.243 3.288 -5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.712 4.849 -4.427 1.00 0.00 H new ATOM 301 N GLY A 43 -12.433 0.970 -3.191 1.00 0.00 N ATOM 302 CA GLY A 43 -12.658 -0.468 -3.183 1.00 0.00 C ATOM 303 C GLY A 43 -12.606 -1.127 -1.797 1.00 0.00 C ATOM 304 O GLY A 43 -12.816 -2.336 -1.707 1.00 0.00 O ATOM 0 H GLY A 43 -11.507 1.230 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.632 -0.670 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.911 -0.941 -3.821 1.00 0.00 H new ATOM 305 N GLY A 44 -12.341 -0.391 -0.712 1.00 0.00 N ATOM 306 CA GLY A 44 -12.431 -0.914 0.638 1.00 0.00 C ATOM 307 C GLY A 44 -11.225 -1.776 1.000 1.00 0.00 C ATOM 308 O GLY A 44 -10.253 -1.877 0.251 1.00 0.00 O ATOM 0 H GLY A 44 -12.057 0.588 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.509 -0.086 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.342 -1.505 0.738 1.00 0.00 H new ATOM 309 N PHE A 45 -11.292 -2.399 2.179 1.00 0.00 N ATOM 310 CA PHE A 45 -10.228 -3.265 2.678 1.00 0.00 C ATOM 311 C PHE A 45 -10.210 -4.594 1.926 1.00 0.00 C ATOM 312 O PHE A 45 -10.545 -5.636 2.488 1.00 0.00 O ATOM 313 CB PHE A 45 -10.302 -3.469 4.198 1.00 0.00 C ATOM 314 CG PHE A 45 -9.111 -4.176 4.831 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.801 -3.736 4.560 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.314 -5.179 5.798 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.713 -4.252 5.275 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.219 -5.716 6.498 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.922 -5.232 6.254 1.00 0.00 C ATOM 0 H PHE A 45 -12.087 -2.315 2.813 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.282 -2.758 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.415 -2.494 4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.202 -4.040 4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.634 -2.994 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.312 -5.537 6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.714 -3.895 5.072 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.375 -6.501 7.224 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.087 -5.616 6.821 1.00 0.00 H new ATOM 320 N ASN A 46 -9.794 -4.562 0.658 1.00 0.00 N ATOM 321 CA ASN A 46 -9.744 -5.732 -0.216 1.00 0.00 C ATOM 322 C ASN A 46 -8.407 -5.741 -0.955 1.00 0.00 C ATOM 323 O ASN A 46 -7.872 -4.678 -1.264 1.00 0.00 O ATOM 324 CB ASN A 46 -10.932 -5.713 -1.181 1.00 0.00 C ATOM 325 CG ASN A 46 -12.263 -5.860 -0.449 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.555 -6.906 0.122 1.00 0.00 O ATOM 327 ND2 ASN A 46 -13.085 -4.814 -0.434 1.00 0.00 N ATOM 0 H ASN A 46 -9.477 -3.706 0.203 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.818 -6.648 0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.928 -4.779 -1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.825 -6.521 -1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.976 -4.873 0.058 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.824 -3.953 -0.915 1.00 0.00 H new ATOM 328 N ILE A 47 -7.833 -6.920 -1.211 1.00 0.00 N ATOM 329 CA ILE A 47 -6.492 -7.033 -1.760 1.00 0.00 C ATOM 330 C ILE A 47 -6.491 -6.391 -3.142 1.00 0.00 C ATOM 331 O ILE A 47 -5.645 -5.555 -3.429 1.00 0.00 O ATOM 332 CB ILE A 47 -6.070 -8.513 -1.789 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.792 -9.066 -0.379 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.861 -8.736 -2.703 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.454 -8.614 0.220 1.00 0.00 C ATOM 0 H ILE A 47 -8.289 -7.817 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.761 -6.511 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.914 -9.067 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.598 -8.757 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.811 -10.155 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.591 -9.792 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.111 -8.430 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.019 -8.145 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.335 -9.047 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.638 -8.947 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.437 -7.527 0.294 1.00 0.00 H new ATOM 336 N GLU A 48 -7.463 -6.760 -3.971 1.00 0.00 N ATOM 337 CA GLU A 48 -7.740 -6.174 -5.271 1.00 0.00 C ATOM 338 C GLU A 48 -7.633 -4.650 -5.198 1.00 0.00 C ATOM 339 O GLU A 48 -6.844 -4.030 -5.906 1.00 0.00 O ATOM 340 CB GLU A 48 -9.134 -6.589 -5.755 1.00 0.00 C ATOM 341 CG GLU A 48 -9.578 -8.007 -5.373 1.00 0.00 C ATOM 342 CD GLU A 48 -10.194 -8.111 -3.981 1.00 0.00 C ATOM 343 OE1 GLU A 48 -11.419 -7.899 -3.887 1.00 0.00 O ATOM 344 OE2 GLU A 48 -9.413 -8.346 -3.028 1.00 0.00 O ATOM 0 H GLU A 48 -8.109 -7.514 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.002 -6.541 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.862 -5.881 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.163 -6.500 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.303 -8.360 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.717 -8.674 -5.429 1.00 0.00 H new ATOM 345 N ALA A 49 -8.440 -4.069 -4.311 1.00 0.00 N ATOM 346 CA ALA A 49 -8.483 -2.632 -4.073 1.00 0.00 C ATOM 347 C ALA A 49 -7.100 -2.068 -3.724 1.00 0.00 C ATOM 348 O ALA A 49 -6.667 -1.079 -4.316 1.00 0.00 O ATOM 349 CB ALA A 49 -9.510 -2.317 -2.983 1.00 0.00 C ATOM 0 H ALA A 49 -9.092 -4.595 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.792 -2.142 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.538 -1.241 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.495 -2.659 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.230 -2.826 -2.061 1.00 0.00 H new ATOM 350 N ILE A 50 -6.388 -2.689 -2.778 1.00 0.00 N ATOM 351 CA ILE A 50 -5.034 -2.276 -2.450 1.00 0.00 C ATOM 352 C ILE A 50 -4.159 -2.320 -3.710 1.00 0.00 C ATOM 353 O ILE A 50 -3.582 -1.306 -4.101 1.00 0.00 O ATOM 354 CB ILE A 50 -4.471 -3.142 -1.306 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.245 -3.022 0.022 1.00 0.00 C ATOM 356 CG2 ILE A 50 -3.001 -2.803 -1.074 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.533 -1.595 0.492 1.00 0.00 C ATOM 0 H ILE A 50 -6.733 -3.478 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.038 -1.247 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.586 -4.176 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.193 -3.550 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.679 -3.534 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.609 -3.418 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.435 -2.998 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.908 -1.750 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.081 -1.626 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.593 -1.063 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.131 -1.078 -0.259 1.00 0.00 H new ATOM 358 N VAL A 51 -4.045 -3.485 -4.352 1.00 0.00 N ATOM 359 CA VAL A 51 -3.211 -3.685 -5.516 1.00 0.00 C ATOM 360 C VAL A 51 -3.500 -2.597 -6.554 1.00 0.00 C ATOM 361 O VAL A 51 -2.580 -1.942 -7.034 1.00 0.00 O ATOM 362 CB VAL A 51 -3.451 -5.099 -6.075 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.655 -5.257 -7.360 1.00 0.00 C ATOM 364 CG2 VAL A 51 -2.966 -6.205 -5.130 1.00 0.00 C ATOM 0 H VAL A 51 -4.544 -4.326 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.158 -3.605 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.527 -5.200 -6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.816 -6.255 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.983 -4.512 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.594 -5.117 -7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.162 -7.179 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.895 -6.094 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.495 -6.130 -4.180 1.00 0.00 H new ATOM 365 N TYR A 52 -4.778 -2.379 -6.868 1.00 0.00 N ATOM 366 CA TYR A 52 -5.232 -1.355 -7.795 1.00 0.00 C ATOM 367 C TYR A 52 -4.613 0.012 -7.469 1.00 0.00 C ATOM 368 O TYR A 52 -4.109 0.688 -8.364 1.00 0.00 O ATOM 369 CB TYR A 52 -6.765 -1.318 -7.775 1.00 0.00 C ATOM 370 CG TYR A 52 -7.394 -0.314 -8.719 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.696 -0.684 -10.042 1.00 0.00 C ATOM 372 CD2 TYR A 52 -7.696 0.984 -8.267 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.280 0.250 -10.916 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.280 1.915 -9.142 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.558 1.553 -10.470 1.00 0.00 C ATOM 376 OH TYR A 52 -9.138 2.448 -11.318 1.00 0.00 O ATOM 0 H TYR A 52 -5.542 -2.927 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.900 -1.601 -8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.141 -2.311 -8.022 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.095 -1.096 -6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.480 -1.685 -10.386 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.479 1.265 -7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.515 -0.034 -11.931 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.515 2.910 -8.793 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.264 3.303 -10.855 1.00 0.00 H new ATOM 377 N GLN A 53 -4.620 0.417 -6.193 1.00 0.00 N ATOM 378 CA GLN A 53 -4.037 1.691 -5.780 1.00 0.00 C ATOM 379 C GLN A 53 -2.567 1.729 -6.204 1.00 0.00 C ATOM 380 O GLN A 53 -2.137 2.636 -6.917 1.00 0.00 O ATOM 381 CB GLN A 53 -4.198 1.865 -4.259 1.00 0.00 C ATOM 382 CG GLN A 53 -3.488 3.107 -3.689 1.00 0.00 C ATOM 383 CD GLN A 53 -4.408 4.240 -3.264 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.633 4.133 -3.316 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.809 5.354 -2.868 1.00 0.00 N ATOM 0 H GLN A 53 -5.025 -0.124 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.553 2.520 -6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.260 1.926 -4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.810 0.977 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.892 2.802 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.794 3.486 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.791 5.403 -2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.366 6.163 -2.592 1.00 0.00 H new ATOM 386 N ILE A 54 -1.802 0.737 -5.745 1.00 0.00 N ATOM 387 CA ILE A 54 -0.378 0.620 -6.030 1.00 0.00 C ATOM 388 C ILE A 54 -0.135 0.610 -7.542 1.00 0.00 C ATOM 389 O ILE A 54 0.776 1.276 -8.028 1.00 0.00 O ATOM 390 CB ILE A 54 0.187 -0.632 -5.328 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.449 -0.401 -3.829 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.524 -1.075 -5.934 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.818 -0.431 -2.981 1.00 0.00 C ATOM 0 H ILE A 54 -2.162 -0.015 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 54 0.153 1.486 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.579 -1.395 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.138 -1.164 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.942 0.562 -3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.886 -1.960 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.385 -1.310 -6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.253 -0.271 -5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.560 -0.261 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.500 0.350 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.301 -1.403 -3.083 1.00 0.00 H new ATOM 394 N GLU A 55 -0.939 -0.154 -8.279 1.00 0.00 N ATOM 395 CA GLU A 55 -0.816 -0.313 -9.714 1.00 0.00 C ATOM 396 C GLU A 55 -0.842 1.060 -10.390 1.00 0.00 C ATOM 397 O GLU A 55 0.199 1.549 -10.836 1.00 0.00 O ATOM 398 CB GLU A 55 -1.930 -1.247 -10.205 1.00 0.00 C ATOM 399 CG GLU A 55 -1.789 -1.660 -11.673 1.00 0.00 C ATOM 400 CD GLU A 55 -3.159 -1.994 -12.245 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.916 -1.021 -12.464 1.00 0.00 O ATOM 402 OE2 GLU A 55 -3.447 -3.199 -12.401 1.00 0.00 O ATOM 0 H GLU A 55 -1.710 -0.689 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 55 0.137 -0.771 -9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.940 -2.143 -9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.892 -0.754 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.332 -0.853 -12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.129 -2.523 -11.756 1.00 0.00 H new ATOM 403 N ASN A 56 -2.023 1.677 -10.460 1.00 0.00 N ATOM 404 CA ASN A 56 -2.291 2.814 -11.330 1.00 0.00 C ATOM 405 C ASN A 56 -2.141 4.168 -10.630 1.00 0.00 C ATOM 406 O ASN A 56 -2.130 5.189 -11.314 1.00 0.00 O ATOM 407 CB ASN A 56 -3.651 2.647 -12.021 1.00 0.00 C ATOM 408 CG ASN A 56 -4.762 2.233 -11.067 1.00 0.00 C ATOM 409 OD1 ASN A 56 -5.334 3.057 -10.361 1.00 0.00 O ATOM 410 ND2 ASN A 56 -5.051 0.938 -11.019 1.00 0.00 N ATOM 0 H ASN A 56 -2.830 1.393 -9.904 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.520 2.821 -12.101 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.925 3.586 -12.501 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.561 1.900 -12.810 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.770 0.599 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.554 0.282 -11.622 1.00 0.00 H new ATOM 411 N GLY A 57 -1.947 4.207 -9.307 1.00 0.00 N ATOM 412 CA GLY A 57 -1.581 5.441 -8.621 1.00 0.00 C ATOM 413 C GLY A 57 -2.789 6.330 -8.318 1.00 0.00 C ATOM 414 O GLY A 57 -3.866 6.158 -8.884 1.00 0.00 O ATOM 0 H GLY A 57 -2.038 3.396 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.072 5.196 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.872 5.996 -9.235 1.00 0.00 H new ATOM 415 N LYS A 58 -2.611 7.251 -7.364 1.00 0.00 N ATOM 416 CA LYS A 58 -3.686 7.945 -6.667 1.00 0.00 C ATOM 417 C LYS A 58 -3.303 9.387 -6.294 1.00 0.00 C ATOM 418 O LYS A 58 -2.325 9.929 -6.813 1.00 0.00 O ATOM 419 CB LYS A 58 -4.028 7.112 -5.422 1.00 0.00 C ATOM 420 CG LYS A 58 -5.532 6.834 -5.323 1.00 0.00 C ATOM 421 CD LYS A 58 -5.908 5.682 -6.261 1.00 0.00 C ATOM 422 CE LYS A 58 -7.375 5.253 -6.104 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.744 4.973 -4.700 1.00 0.00 N ATOM 0 H LYS A 58 -1.684 7.539 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.554 8.037 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.485 6.168 -5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.696 7.640 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.798 6.581 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.095 7.729 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.729 5.984 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.260 4.829 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.022 6.038 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.555 4.363 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.636 4.438 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.992 4.414 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.864 5.870 -4.187 1.00 0.00 H new ATOM 424 N GLY A 59 -4.060 10.019 -5.383 1.00 0.00 N ATOM 425 CA GLY A 59 -3.813 11.391 -4.959 1.00 0.00 C ATOM 426 C GLY A 59 -2.378 11.554 -4.458 1.00 0.00 C ATOM 427 O GLY A 59 -1.961 10.876 -3.532 1.00 0.00 O ATOM 0 H GLY A 59 -4.860 9.585 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.992 12.072 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.512 11.664 -4.169 1.00 0.00 H new ATOM 428 N ALA A 60 -1.600 12.429 -5.091 1.00 0.00 N ATOM 429 CA ALA A 60 -0.163 12.578 -4.902 1.00 0.00 C ATOM 430 C ALA A 60 0.565 11.244 -4.651 1.00 0.00 C ATOM 431 O ALA A 60 1.500 11.195 -3.850 1.00 0.00 O ATOM 432 CB ALA A 60 0.083 13.604 -3.792 1.00 0.00 C ATOM 0 H ALA A 60 -1.973 13.082 -5.780 1.00 0.00 H new ATOM 0 HA ALA A 60 0.270 12.944 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.155 13.725 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.354 14.561 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.378 13.257 -2.867 1.00 0.00 H new ATOM 433 N MET A 61 0.155 10.175 -5.347 1.00 0.00 N ATOM 434 CA MET A 61 0.730 8.845 -5.205 1.00 0.00 C ATOM 435 C MET A 61 1.076 8.292 -6.586 1.00 0.00 C ATOM 436 O MET A 61 0.162 8.000 -7.358 1.00 0.00 O ATOM 437 CB MET A 61 -0.246 7.906 -4.493 1.00 0.00 C ATOM 438 CG MET A 61 0.299 6.473 -4.529 1.00 0.00 C ATOM 439 SD MET A 61 -0.275 5.365 -3.217 1.00 0.00 S ATOM 440 CE MET A 61 -0.041 3.762 -4.013 1.00 0.00 C ATOM 0 H MET A 61 -0.598 10.219 -6.034 1.00 0.00 H new ATOM 0 HA MET A 61 1.636 8.915 -4.602 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.387 8.226 -3.461 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.223 7.947 -4.975 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.036 6.031 -5.490 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.387 6.519 -4.486 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.464 2.978 -3.384 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.542 3.760 -4.981 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.024 3.578 -4.155 1.00 0.00 H new ATOM 441 N PRO A 62 2.366 8.110 -6.907 1.00 0.00 N ATOM 442 CA PRO A 62 2.757 7.597 -8.203 1.00 0.00 C ATOM 443 C PRO A 62 2.298 6.153 -8.405 1.00 0.00 C ATOM 444 O PRO A 62 2.235 5.368 -7.461 1.00 0.00 O ATOM 445 CB PRO A 62 4.280 7.713 -8.256 1.00 0.00 C ATOM 446 CG PRO A 62 4.724 7.777 -6.794 1.00 0.00 C ATOM 447 CD PRO A 62 3.527 8.402 -6.079 1.00 0.00 C ATOM 0 HA PRO A 62 2.287 8.164 -9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.723 6.858 -8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.589 8.605 -8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.952 6.786 -6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.623 8.382 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.408 7.984 -5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.661 9.477 -5.961 1.00 0.00 H new ATOM 448 N ALA A 63 2.019 5.815 -9.666 1.00 0.00 N ATOM 449 CA ALA A 63 1.730 4.464 -10.116 1.00 0.00 C ATOM 450 C ALA A 63 2.966 3.581 -9.948 1.00 0.00 C ATOM 451 O ALA A 63 4.096 4.079 -9.992 1.00 0.00 O ATOM 452 CB ALA A 63 1.328 4.531 -11.593 1.00 0.00 C ATOM 0 H ALA A 63 1.989 6.500 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 63 0.921 4.034 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.106 3.527 -11.955 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.445 5.160 -11.701 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.148 4.953 -12.174 1.00 0.00 H new ATOM 453 N TRP A 64 2.763 2.272 -9.782 1.00 0.00 N ATOM 454 CA TRP A 64 3.839 1.295 -9.732 1.00 0.00 C ATOM 455 C TRP A 64 3.704 0.252 -10.842 1.00 0.00 C ATOM 456 O TRP A 64 4.586 -0.602 -10.988 1.00 0.00 O ATOM 457 CB TRP A 64 3.950 0.719 -8.325 1.00 0.00 C ATOM 458 CG TRP A 64 4.334 1.747 -7.303 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.511 2.581 -6.626 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.681 2.139 -6.931 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.259 3.421 -5.826 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.611 3.189 -5.972 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.959 1.727 -7.347 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.764 3.767 -5.418 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.120 2.304 -6.811 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.027 3.310 -5.832 1.00 0.00 C ATOM 0 H TRP A 64 1.835 1.862 -9.678 1.00 0.00 H new ATOM 0 HA TRP A 64 4.791 1.784 -9.937 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.996 0.273 -8.044 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.689 -0.082 -8.323 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.434 2.588 -6.700 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.862 4.125 -5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.049 0.952 -8.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.682 4.553 -4.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.090 1.974 -7.152 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.923 3.730 -5.400 1.00 0.00 H new ATOM 467 N ASP A 65 2.659 0.381 -11.671 1.00 0.00 N ATOM 468 CA ASP A 65 2.541 -0.321 -12.926 1.00 0.00 C ATOM 469 C ASP A 65 3.865 -0.252 -13.684 1.00 0.00 C ATOM 470 O ASP A 65 4.528 0.784 -13.710 1.00 0.00 O ATOM 471 CB ASP A 65 1.417 0.269 -13.782 1.00 0.00 C ATOM 472 CG ASP A 65 1.366 -0.417 -15.142 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.707 -1.621 -15.180 1.00 0.00 O ATOM 474 OD2 ASP A 65 1.028 0.283 -16.119 1.00 0.00 O ATOM 0 H ASP A 65 1.866 0.990 -11.471 1.00 0.00 H new ATOM 0 HA ASP A 65 2.297 -1.362 -12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.462 0.149 -13.271 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.576 1.339 -13.914 1.00 0.00 H new ATOM 475 N GLY A 66 4.273 -1.391 -14.226 1.00 0.00 N ATOM 476 CA GLY A 66 5.510 -1.574 -14.973 1.00 0.00 C ATOM 477 C GLY A 66 6.801 -1.334 -14.175 1.00 0.00 C ATOM 478 O GLY A 66 7.877 -1.634 -14.686 1.00 0.00 O ATOM 0 H GLY A 66 3.727 -2.250 -14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.530 -2.590 -15.367 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.501 -0.900 -15.829 1.00 0.00 H new ATOM 479 N ARG A 67 6.735 -0.785 -12.955 1.00 0.00 N ATOM 480 CA ARG A 67 7.907 -0.490 -12.141 1.00 0.00 C ATOM 481 C ARG A 67 8.203 -1.675 -11.226 1.00 0.00 C ATOM 482 O ARG A 67 9.368 -2.026 -11.050 1.00 0.00 O ATOM 483 CB ARG A 67 7.686 0.798 -11.335 1.00 0.00 C ATOM 484 CG ARG A 67 7.549 2.017 -12.260 1.00 0.00 C ATOM 485 CD ARG A 67 7.083 3.259 -11.491 1.00 0.00 C ATOM 486 NE ARG A 67 8.064 3.696 -10.489 1.00 0.00 N ATOM 487 CZ ARG A 67 7.785 4.371 -9.359 1.00 0.00 C ATOM 488 NH1 ARG A 67 6.525 4.637 -8.996 1.00 0.00 N ATOM 489 NH2 ARG A 67 8.794 4.787 -8.584 1.00 0.00 N ATOM 0 H ARG A 67 5.854 -0.533 -12.507 1.00 0.00 H new ATOM 0 HA ARG A 67 8.769 -0.330 -12.788 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.788 0.699 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.521 0.950 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.507 2.222 -12.737 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.838 1.793 -13.056 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.899 4.071 -12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.135 3.044 -10.998 1.00 0.00 H new ATOM 0 HE ARG A 67 9.042 3.468 -10.665 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.749 4.326 -9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.340 5.151 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.758 4.591 -8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.599 5.300 -7.724 1.00 0.00 H new ATOM 490 N LEU A 68 7.158 -2.271 -10.645 1.00 0.00 N ATOM 491 CA LEU A 68 7.263 -3.485 -9.839 1.00 0.00 C ATOM 492 C LEU A 68 6.749 -4.680 -10.655 1.00 0.00 C ATOM 493 O LEU A 68 5.919 -4.494 -11.546 1.00 0.00 O ATOM 494 CB LEU A 68 6.459 -3.309 -8.540 1.00 0.00 C ATOM 495 CG LEU A 68 6.887 -2.106 -7.681 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.970 -1.999 -6.457 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.338 -2.166 -7.196 1.00 0.00 C ATOM 0 H LEU A 68 6.204 -1.918 -10.724 1.00 0.00 H new ATOM 0 HA LEU A 68 8.303 -3.672 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.404 -3.202 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.553 -4.217 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 68 6.804 -1.233 -8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.273 -1.147 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.940 -1.862 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.044 -2.912 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.559 -1.282 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.482 -3.060 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.008 -2.199 -8.055 1.00 0.00 H new ATOM 498 N ASP A 69 7.226 -5.896 -10.360 1.00 0.00 N ATOM 499 CA ASP A 69 6.692 -7.131 -10.946 1.00 0.00 C ATOM 500 C ASP A 69 5.300 -7.415 -10.387 1.00 0.00 C ATOM 501 O ASP A 69 4.871 -6.826 -9.402 1.00 0.00 O ATOM 502 CB ASP A 69 7.637 -8.311 -10.667 1.00 0.00 C ATOM 503 CG ASP A 69 7.304 -9.617 -11.371 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.372 -10.290 -10.874 1.00 0.00 O ATOM 505 OD2 ASP A 69 7.955 -9.905 -12.395 1.00 0.00 O ATOM 0 H ASP A 69 7.994 -6.051 -9.707 1.00 0.00 H new ATOM 0 HA ASP A 69 6.616 -7.003 -12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.647 -8.016 -10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.649 -8.494 -9.593 1.00 0.00 H new ATOM 506 N GLU A 70 4.614 -8.373 -10.986 1.00 0.00 N ATOM 507 CA GLU A 70 3.299 -8.825 -10.558 1.00 0.00 C ATOM 508 C GLU A 70 3.391 -9.431 -9.156 1.00 0.00 C ATOM 509 O GLU A 70 2.586 -9.115 -8.277 1.00 0.00 O ATOM 510 CB GLU A 70 2.748 -9.852 -11.557 1.00 0.00 C ATOM 511 CG GLU A 70 2.539 -9.257 -12.956 1.00 0.00 C ATOM 512 CD GLU A 70 1.838 -10.251 -13.875 1.00 0.00 C ATOM 513 OE1 GLU A 70 0.648 -10.525 -13.603 1.00 0.00 O ATOM 514 OE2 GLU A 70 2.500 -10.726 -14.822 1.00 0.00 O ATOM 0 H GLU A 70 4.964 -8.871 -11.804 1.00 0.00 H new ATOM 0 HA GLU A 70 2.617 -7.975 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.436 -10.695 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.800 -10.242 -11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.947 -8.345 -12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.502 -8.978 -13.384 1.00 0.00 H new ATOM 515 N ASP A 71 4.377 -10.308 -8.947 1.00 0.00 N ATOM 516 CA ASP A 71 4.569 -11.001 -7.677 1.00 0.00 C ATOM 517 C ASP A 71 4.859 -9.962 -6.592 1.00 0.00 C ATOM 518 O ASP A 71 4.241 -9.922 -5.529 1.00 0.00 O ATOM 519 CB ASP A 71 5.722 -12.004 -7.841 1.00 0.00 C ATOM 520 CG ASP A 71 5.785 -13.044 -6.736 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.430 -12.743 -5.573 1.00 0.00 O ATOM 522 OD2 ASP A 71 6.167 -14.197 -7.033 1.00 0.00 O ATOM 0 H ASP A 71 5.065 -10.556 -9.658 1.00 0.00 H new ATOM 0 HA ASP A 71 3.677 -11.554 -7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.618 -12.511 -8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.665 -11.459 -7.870 1.00 0.00 H new ATOM 523 N GLU A 72 5.781 -9.062 -6.927 1.00 0.00 N ATOM 524 CA GLU A 72 6.217 -7.942 -6.130 1.00 0.00 C ATOM 525 C GLU A 72 5.025 -7.067 -5.704 1.00 0.00 C ATOM 526 O GLU A 72 4.742 -6.944 -4.511 1.00 0.00 O ATOM 527 CB GLU A 72 7.247 -7.220 -6.999 1.00 0.00 C ATOM 528 CG GLU A 72 8.038 -6.187 -6.243 1.00 0.00 C ATOM 529 CD GLU A 72 9.152 -5.589 -7.091 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.011 -5.656 -8.331 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.117 -5.080 -6.484 1.00 0.00 O ATOM 0 H GLU A 72 6.268 -9.108 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 72 6.669 -8.238 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.932 -7.953 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.736 -6.739 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.371 -5.393 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.466 -6.641 -5.349 1.00 0.00 H new ATOM 532 N ILE A 73 4.304 -6.499 -6.678 1.00 0.00 N ATOM 533 CA ILE A 73 3.042 -5.775 -6.489 1.00 0.00 C ATOM 534 C ILE A 73 2.142 -6.537 -5.510 1.00 0.00 C ATOM 535 O ILE A 73 1.701 -6.010 -4.486 1.00 0.00 O ATOM 536 CB ILE A 73 2.317 -5.604 -7.846 1.00 0.00 C ATOM 537 CG1 ILE A 73 2.990 -4.619 -8.809 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.858 -5.185 -7.677 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.700 -3.138 -8.552 1.00 0.00 C ATOM 0 H ILE A 73 4.594 -6.532 -7.655 1.00 0.00 H new ATOM 0 HA ILE A 73 3.261 -4.789 -6.078 1.00 0.00 H new ATOM 0 HB ILE A 73 2.376 -6.598 -8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.068 -4.773 -8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.677 -4.861 -9.825 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.394 -5.078 -8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.325 -5.944 -7.104 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.812 -4.233 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.225 -2.531 -9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.628 -2.958 -8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.040 -2.869 -7.552 1.00 0.00 H new ATOM 540 N ALA A 74 1.848 -7.794 -5.838 1.00 0.00 N ATOM 541 CA ALA A 74 0.981 -8.618 -5.009 1.00 0.00 C ATOM 542 C ALA A 74 1.523 -8.737 -3.579 1.00 0.00 C ATOM 543 O ALA A 74 0.750 -8.724 -2.619 1.00 0.00 O ATOM 544 CB ALA A 74 0.782 -9.989 -5.658 1.00 0.00 C ATOM 0 H ALA A 74 2.200 -8.261 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 74 0.007 -8.134 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.132 -10.598 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.325 -9.864 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.747 -10.483 -5.768 1.00 0.00 H new ATOM 545 N GLY A 75 2.846 -8.831 -3.424 1.00 0.00 N ATOM 546 CA GLY A 75 3.484 -9.023 -2.137 1.00 0.00 C ATOM 547 C GLY A 75 3.328 -7.760 -1.318 1.00 0.00 C ATOM 548 O GLY A 75 2.936 -7.812 -0.157 1.00 0.00 O ATOM 0 H GLY A 75 3.503 -8.774 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.034 -9.868 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.540 -9.257 -2.271 1.00 0.00 H new ATOM 549 N VAL A 76 3.618 -6.606 -1.922 1.00 0.00 N ATOM 550 CA VAL A 76 3.528 -5.338 -1.222 1.00 0.00 C ATOM 551 C VAL A 76 2.082 -5.073 -0.793 1.00 0.00 C ATOM 552 O VAL A 76 1.843 -4.687 0.353 1.00 0.00 O ATOM 553 CB VAL A 76 4.201 -4.224 -2.041 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.294 -3.462 -3.009 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.800 -3.177 -1.093 1.00 0.00 C ATOM 0 H VAL A 76 3.917 -6.531 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 76 4.092 -5.368 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 76 4.942 -4.752 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.876 -2.702 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.871 -4.157 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.488 -2.983 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.276 -2.389 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.009 -2.747 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.541 -3.651 -0.449 1.00 0.00 H new ATOM 556 N ALA A 77 1.111 -5.334 -1.679 1.00 0.00 N ATOM 557 CA ALA A 77 -0.290 -5.264 -1.292 1.00 0.00 C ATOM 558 C ALA A 77 -0.583 -6.178 -0.098 1.00 0.00 C ATOM 559 O ALA A 77 -1.090 -5.716 0.923 1.00 0.00 O ATOM 560 CB ALA A 77 -1.173 -5.612 -2.486 1.00 0.00 C ATOM 0 H ALA A 77 1.274 -5.591 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.515 -4.245 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.221 -5.558 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.987 -4.905 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.943 -6.622 -2.826 1.00 0.00 H new ATOM 561 N ALA A 78 -0.259 -7.470 -0.218 1.00 0.00 N ATOM 562 CA ALA A 78 -0.452 -8.439 0.855 1.00 0.00 C ATOM 563 C ALA A 78 0.179 -7.968 2.171 1.00 0.00 C ATOM 564 O ALA A 78 -0.449 -8.056 3.223 1.00 0.00 O ATOM 565 CB ALA A 78 0.094 -9.805 0.431 1.00 0.00 C ATOM 0 H ALA A 78 0.145 -7.869 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.522 -8.533 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.054 -10.523 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.433 -10.147 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.158 -9.719 0.212 1.00 0.00 H new ATOM 566 N TYR A 79 1.410 -7.454 2.125 1.00 0.00 N ATOM 567 CA TYR A 79 2.120 -6.963 3.297 1.00 0.00 C ATOM 568 C TYR A 79 1.370 -5.815 3.954 1.00 0.00 C ATOM 569 O TYR A 79 1.128 -5.835 5.157 1.00 0.00 O ATOM 570 CB TYR A 79 3.524 -6.501 2.902 1.00 0.00 C ATOM 571 CG TYR A 79 4.350 -5.981 4.063 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.650 -6.834 5.141 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.708 -4.621 4.132 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.281 -6.325 6.289 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.401 -4.129 5.253 1.00 0.00 C ATOM 576 CZ TYR A 79 5.680 -4.980 6.335 1.00 0.00 C ATOM 577 OH TYR A 79 6.277 -4.487 7.459 1.00 0.00 O ATOM 0 H TYR A 79 1.944 -7.368 1.260 1.00 0.00 H new ATOM 0 HA TYR A 79 2.192 -7.781 4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.052 -7.333 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.439 -5.717 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.395 -7.882 5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.450 -3.954 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.459 -6.970 7.137 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.718 -3.097 5.282 1.00 0.00 H new ATOM 0 HH TYR A 79 5.748 -4.735 8.246 1.00 0.00 H new ATOM 578 N VAL A 80 1.009 -4.800 3.172 1.00 0.00 N ATOM 579 CA VAL A 80 0.212 -3.695 3.664 1.00 0.00 C ATOM 580 C VAL A 80 -1.072 -4.233 4.314 1.00 0.00 C ATOM 581 O VAL A 80 -1.435 -3.819 5.418 1.00 0.00 O ATOM 582 CB VAL A 80 -0.024 -2.732 2.490 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.219 -1.823 2.742 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.231 -1.882 2.255 1.00 0.00 C ATOM 0 H VAL A 80 1.262 -4.727 2.187 1.00 0.00 H new ATOM 0 HA VAL A 80 0.719 -3.134 4.449 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.237 -3.330 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.355 -1.156 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.115 -2.429 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.044 -1.232 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.058 -1.201 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.454 -1.307 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.073 -2.533 2.023 1.00 0.00 H new ATOM 585 N TYR A 81 -1.742 -5.176 3.645 1.00 0.00 N ATOM 586 CA TYR A 81 -2.948 -5.801 4.165 1.00 0.00 C ATOM 587 C TYR A 81 -2.688 -6.443 5.532 1.00 0.00 C ATOM 588 O TYR A 81 -3.426 -6.188 6.480 1.00 0.00 O ATOM 589 CB TYR A 81 -3.499 -6.815 3.156 1.00 0.00 C ATOM 590 CG TYR A 81 -4.985 -7.063 3.297 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.471 -8.064 4.158 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.887 -6.286 2.549 1.00 0.00 C ATOM 593 CE1 TYR A 81 -6.857 -8.278 4.275 1.00 0.00 C ATOM 594 CE2 TYR A 81 -7.267 -6.511 2.658 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.757 -7.486 3.542 1.00 0.00 C ATOM 596 OH TYR A 81 -9.099 -7.689 3.672 1.00 0.00 O ATOM 0 H TYR A 81 -1.459 -5.523 2.729 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.705 -5.031 4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.293 -6.459 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.968 -7.760 3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.781 -8.668 4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.517 -5.515 1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.230 -9.052 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.955 -5.932 2.060 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.584 -6.959 3.233 1.00 0.00 H new ATOM 597 N ASP A 82 -1.636 -7.261 5.635 1.00 0.00 N ATOM 598 CA ASP A 82 -1.210 -7.903 6.873 1.00 0.00 C ATOM 599 C ASP A 82 -0.961 -6.866 7.969 1.00 0.00 C ATOM 600 O ASP A 82 -1.522 -6.961 9.061 1.00 0.00 O ATOM 601 CB ASP A 82 0.056 -8.735 6.623 1.00 0.00 C ATOM 602 CG ASP A 82 0.623 -9.263 7.930 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.103 -9.958 8.675 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.780 -8.921 8.261 1.00 0.00 O ATOM 0 H ASP A 82 -1.046 -7.498 4.838 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.008 -8.564 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.176 -9.568 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.804 -8.124 6.118 1.00 0.00 H new ATOM 605 N GLN A 83 -0.122 -5.867 7.677 1.00 0.00 N ATOM 606 CA GLN A 83 0.210 -4.796 8.596 1.00 0.00 C ATOM 607 C GLN A 83 -1.059 -4.165 9.167 1.00 0.00 C ATOM 608 O GLN A 83 -1.207 -4.058 10.385 1.00 0.00 O ATOM 609 CB GLN A 83 1.055 -3.733 7.893 1.00 0.00 C ATOM 610 CG GLN A 83 2.511 -4.125 7.650 1.00 0.00 C ATOM 611 CD GLN A 83 3.366 -4.217 8.913 1.00 0.00 C ATOM 612 OE1 GLN A 83 4.162 -5.140 9.069 1.00 0.00 O ATOM 613 NE2 GLN A 83 3.227 -3.263 9.828 1.00 0.00 N ATOM 0 H GLN A 83 0.349 -5.787 6.776 1.00 0.00 H new ATOM 0 HA GLN A 83 0.789 -5.218 9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.593 -3.498 6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.034 -2.821 8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.534 -5.089 7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.961 -3.397 6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.560 -2.506 9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.787 -3.288 10.680 1.00 0.00 H new ATOM 614 N ALA A 84 -1.961 -3.748 8.272 1.00 0.00 N ATOM 615 CA ALA A 84 -3.217 -3.112 8.634 1.00 0.00 C ATOM 616 C ALA A 84 -4.102 -4.059 9.451 1.00 0.00 C ATOM 617 O ALA A 84 -4.539 -3.695 10.539 1.00 0.00 O ATOM 618 CB ALA A 84 -3.925 -2.636 7.363 1.00 0.00 C ATOM 0 H ALA A 84 -1.831 -3.847 7.265 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.013 -2.249 9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.868 -2.158 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.291 -1.921 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.121 -3.490 6.714 1.00 0.00 H new ATOM 619 N ALA A 85 -4.362 -5.269 8.944 1.00 0.00 N ATOM 620 CA ALA A 85 -5.206 -6.264 9.602 1.00 0.00 C ATOM 621 C ALA A 85 -4.714 -6.540 11.019 1.00 0.00 C ATOM 622 O ALA A 85 -5.481 -6.462 11.976 1.00 0.00 O ATOM 623 CB ALA A 85 -5.214 -7.574 8.806 1.00 0.00 C ATOM 0 H ALA A 85 -3.985 -5.586 8.051 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.218 -5.863 9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.848 -8.303 9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.602 -7.389 7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.198 -7.963 8.736 1.00 0.00 H new ATOM 624 N GLY A 86 -3.430 -6.878 11.145 1.00 0.00 N ATOM 625 CA GLY A 86 -2.816 -7.158 12.429 1.00 0.00 C ATOM 626 C GLY A 86 -2.692 -5.900 13.287 1.00 0.00 C ATOM 627 O GLY A 86 -2.538 -6.007 14.500 1.00 0.00 O ATOM 0 H GLY A 86 -2.792 -6.963 10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.409 -7.903 12.960 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.827 -7.590 12.272 1.00 0.00 H new ATOM 628 N ASN A 87 -2.720 -4.718 12.661 1.00 0.00 N ATOM 629 CA ASN A 87 -2.442 -3.440 13.299 1.00 0.00 C ATOM 630 C ASN A 87 -1.044 -3.500 13.915 1.00 0.00 C ATOM 631 O ASN A 87 -0.867 -3.271 15.109 1.00 0.00 O ATOM 632 CB ASN A 87 -3.550 -3.073 14.300 1.00 0.00 C ATOM 633 CG ASN A 87 -3.502 -1.600 14.699 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.346 -0.813 14.283 1.00 0.00 O ATOM 635 ND2 ASN A 87 -2.523 -1.191 15.497 1.00 0.00 N ATOM 0 H ASN A 87 -2.943 -4.629 11.670 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.445 -2.633 12.567 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.522 -3.297 13.861 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.452 -3.693 15.191 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.465 -0.211 15.772 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.828 -1.857 15.835 1.00 0.00 H new ATOM 636 N LYS A 88 -0.054 -3.847 13.086 1.00 0.00 N ATOM 637 CA LYS A 88 1.318 -4.044 13.506 1.00 0.00 C ATOM 638 C LYS A 88 2.251 -3.047 12.804 1.00 0.00 C ATOM 639 O LYS A 88 3.428 -3.342 12.592 1.00 0.00 O ATOM 640 CB LYS A 88 1.673 -5.517 13.256 1.00 0.00 C ATOM 641 CG LYS A 88 1.578 -5.906 11.782 1.00 0.00 C ATOM 642 CD LYS A 88 2.114 -7.309 11.466 1.00 0.00 C ATOM 643 CE LYS A 88 0.984 -8.345 11.455 1.00 0.00 C ATOM 644 NZ LYS A 88 1.375 -9.569 10.731 1.00 0.00 N ATOM 0 H LYS A 88 -0.197 -3.999 12.088 1.00 0.00 H new ATOM 0 HA LYS A 88 1.445 -3.841 14.569 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.685 -5.708 13.613 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.005 -6.151 13.838 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.535 -5.849 11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.129 -5.176 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.613 -7.301 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.862 -7.591 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.713 -8.599 12.480 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.099 -7.913 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.535 -9.994 10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.071 -9.330 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.795 -10.248 11.398 1.00 0.00 H new ATOM 645 N TRP A 89 1.723 -1.885 12.403 1.00 0.00 N ATOM 646 CA TRP A 89 2.547 -0.705 12.197 1.00 0.00 C ATOM 647 C TRP A 89 3.097 -0.245 13.546 1.00 0.00 C ATOM 648 O TRP A 89 4.232 0.279 13.552 1.00 0.00 O ATOM 649 CB TRP A 89 1.702 0.404 11.566 1.00 0.00 C ATOM 650 CG TRP A 89 1.203 0.112 10.188 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.093 -0.002 9.825 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.981 -0.129 8.977 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.163 -0.285 8.479 1.00 0.00 N ATOM 654 CE2 TRP A 89 1.081 -0.352 7.897 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.357 -0.223 8.689 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.516 -0.625 6.592 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.804 -0.573 7.404 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.893 -0.736 6.346 1.00 0.00 C ATOM 659 OXT TRP A 89 2.363 -0.421 14.546 1.00 0.00 O ATOM 0 H TRP A 89 0.730 -1.744 12.217 1.00 0.00 H new ATOM 0 HA TRP A 89 3.376 -0.939 11.528 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.846 0.600 12.212 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.294 1.318 11.535 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.940 0.111 10.485 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.037 -0.428 7.972 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.079 -0.023 9.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.803 -0.748 5.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.859 -0.718 7.227 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.251 -0.946 5.349 1.00 0.00 H new TER 660 TRP A 89 HETATM 661 FE HEM A 90 0.820 5.300 -1.095 1.00 0.00 FE HETATM 662 CHA HEM A 90 -2.465 6.115 -0.313 1.00 0.00 C HETATM 663 CHB HEM A 90 0.168 1.978 -0.503 1.00 0.00 C HETATM 664 CHC HEM A 90 3.970 4.515 -2.302 1.00 0.00 C HETATM 665 CHD HEM A 90 1.569 8.698 -1.349 1.00 0.00 C HETATM 666 NA HEM A 90 -0.854 4.238 -0.567 1.00 0.00 N HETATM 667 C1A HEM A 90 -2.075 4.777 -0.289 1.00 0.00 C HETATM 668 C2A HEM A 90 -2.946 3.697 0.103 1.00 0.00 C HETATM 669 C3A HEM A 90 -2.220 2.533 0.026 1.00 0.00 C HETATM 670 C4A HEM A 90 -0.877 2.891 -0.364 1.00 0.00 C HETATM 671 CMA HEM A 90 -2.735 1.140 0.283 1.00 0.00 C HETATM 672 CAA HEM A 90 -4.342 3.853 0.650 1.00 0.00 C HETATM 673 CBA HEM A 90 -4.353 4.257 2.128 1.00 0.00 C HETATM 674 CGA HEM A 90 -5.745 4.661 2.589 1.00 0.00 C HETATM 675 O1A HEM A 90 -5.805 5.455 3.551 1.00 0.00 O HETATM 676 O2A HEM A 90 -6.717 4.246 1.924 1.00 0.00 O HETATM 677 NB HEM A 90 1.887 3.551 -1.349 1.00 0.00 N HETATM 678 C1B HEM A 90 1.424 2.312 -1.020 1.00 0.00 C HETATM 679 C2B HEM A 90 2.476 1.365 -1.317 1.00 0.00 C HETATM 680 C3B HEM A 90 3.509 2.066 -1.907 1.00 0.00 C HETATM 681 C4B HEM A 90 3.145 3.466 -1.880 1.00 0.00 C HETATM 682 CMB HEM A 90 2.469 -0.116 -1.006 1.00 0.00 C HETATM 683 CAB HEM A 90 4.809 1.486 -2.437 1.00 0.00 C HETATM 684 CBB HEM A 90 4.637 0.632 -3.697 1.00 0.00 C HETATM 685 NC HEM A 90 2.466 6.407 -1.737 1.00 0.00 N HETATM 686 C1C HEM A 90 3.640 5.863 -2.161 1.00 0.00 C HETATM 687 C2C HEM A 90 4.560 6.946 -2.410 1.00 0.00 C HETATM 688 C3C HEM A 90 3.926 8.115 -2.044 1.00 0.00 C HETATM 689 C4C HEM A 90 2.562 7.771 -1.698 1.00 0.00 C HETATM 690 CMC HEM A 90 6.004 6.790 -2.833 1.00 0.00 C HETATM 691 CAC HEM A 90 4.581 9.466 -1.820 1.00 0.00 C HETATM 692 CBC HEM A 90 5.037 10.167 -3.102 1.00 0.00 C HETATM 693 ND HEM A 90 -0.267 7.094 -0.892 1.00 0.00 N HETATM 694 C1D HEM A 90 0.257 8.345 -1.031 1.00 0.00 C HETATM 695 C2D HEM A 90 -0.822 9.285 -0.825 1.00 0.00 C HETATM 696 C3D HEM A 90 -1.968 8.554 -0.605 1.00 0.00 C HETATM 697 C4D HEM A 90 -1.592 7.163 -0.586 1.00 0.00 C HETATM 698 CMD HEM A 90 -0.728 10.791 -0.836 1.00 0.00 C HETATM 699 CAD HEM A 90 -3.381 9.094 -0.587 1.00 0.00 C HETATM 700 CBD HEM A 90 -3.896 9.323 -2.014 1.00 0.00 C HETATM 701 CGD HEM A 90 -5.122 8.531 -2.434 1.00 0.00 C HETATM 702 O1D HEM A 90 -5.310 7.415 -1.904 1.00 0.00 O HETATM 703 O2D HEM A 90 -5.791 9.019 -3.374 1.00 0.00 O HETATM 0 HMA1 HEM A 90 -2.187 0.430 -0.336 1.00 0.00 H new HETATM 0 HMA2 HEM A 90 -3.796 1.093 0.037 1.00 0.00 H new HETATM 0 HMA3 HEM A 90 -2.595 0.888 1.334 1.00 0.00 H new HETATM 0 HMB1 HEM A 90 3.061 -0.647 -1.751 1.00 0.00 H new HETATM 0 HMB2 HEM A 90 1.444 -0.487 -1.025 1.00 0.00 H new HETATM 0 HMB3 HEM A 90 2.896 -0.282 -0.017 1.00 0.00 H new HETATM 0 HMC1 HEM A 90 6.300 7.646 -3.439 1.00 0.00 H new HETATM 0 HMC2 HEM A 90 6.116 5.876 -3.416 1.00 0.00 H new HETATM 0 HMC3 HEM A 90 6.638 6.735 -1.948 1.00 0.00 H new HETATM 0 HMD1 HEM A 90 -1.673 11.212 -1.180 1.00 0.00 H new HETATM 0 HMD2 HEM A 90 0.073 11.101 -1.507 1.00 0.00 H new HETATM 0 HMD3 HEM A 90 -0.516 11.150 0.171 1.00 0.00 H new HETATM 0 HBB1 HEM A 90 5.506 0.166 -4.163 1.00 0.00 H new HETATM 0 HBB2 HEM A 90 3.646 0.490 -4.128 1.00 0.00 H new HETATM 0 HBC1 HEM A 90 5.519 11.143 -3.047 1.00 0.00 H new HETATM 0 HBC2 HEM A 90 4.880 9.690 -4.069 1.00 0.00 H new HETATM 0 HBA1 HEM A 90 -3.663 5.086 2.284 1.00 0.00 H new HETATM 0 HBA2 HEM A 90 -3.995 3.426 2.735 1.00 0.00 H new HETATM 0 HAA1 HEM A 90 -4.883 2.914 0.530 1.00 0.00 H new HETATM 0 HAA2 HEM A 90 -4.875 4.605 0.068 1.00 0.00 H new HETATM 0 HBD1 HEM A 90 -3.088 9.092 -2.708 1.00 0.00 H new HETATM 0 HBD2 HEM A 90 -4.121 10.383 -2.128 1.00 0.00 H new HETATM 0 HAD1 HEM A 90 -3.410 10.031 -0.031 1.00 0.00 H new HETATM 0 HAD2 HEM A 90 -4.036 8.394 -0.067 1.00 0.00 H new HETATM 0 HHA HEM A 90 -3.499 6.350 -0.109 1.00 0.00 H new HETATM 0 HHB HEM A 90 -0.002 0.957 -0.195 1.00 0.00 H new HETATM 0 HHC HEM A 90 4.915 4.267 -2.763 1.00 0.00 H new HETATM 0 HHD HEM A 90 1.835 9.744 -1.325 1.00 0.00 H new HETATM 0 HAB HEM A 90 5.775 1.661 -1.964 1.00 0.00 H new HETATM 0 HAC HEM A 90 4.715 9.900 -0.829 1.00 0.00 H new