USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 391 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 Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -173:sc= -1.28 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00462 USER MOD Single : A 30 ASN : amide:sc=-0.00472 X(o=-0.0047,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.49! C(o=-1.5!,f=-1.5!) USER MOD Single : A 34 SER OG : rot -80:sc= 0.0452 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -1.17 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.6) USER MOD Single : A 49 MET CE :methyl 145:sc= 0 (180deg=-0.378) USER MOD Single : A 50 ASN : amide:sc=-0.00433 X(o=-0.0043,f=-0.077) USER MOD Single : A 51 MET CE :methyl 147:sc= -1.65 (180deg=-5.57!) USER MOD Single : A 52 MET CE :methyl 139:sc= -1.86 (180deg=-6.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.63) USER MOD Single : A 58 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.56) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.063 X(o=-0.063,f=-0.084) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 9.526 -3.549 -6.619 1.00 0.00 N ATOM 2 CA LEU A 15 9.024 -4.802 -7.152 1.00 0.00 C ATOM 3 C LEU A 15 7.972 -5.373 -6.200 1.00 0.00 C ATOM 4 O LEU A 15 6.796 -5.468 -6.552 1.00 0.00 O ATOM 5 CB LEU A 15 10.180 -5.764 -7.439 1.00 0.00 C ATOM 6 CG LEU A 15 10.910 -5.560 -8.768 1.00 0.00 C ATOM 7 CD1 LEU A 15 12.035 -4.534 -8.624 1.00 0.00 C ATOM 8 CD2 LEU A 15 11.413 -6.891 -9.328 1.00 0.00 C ATOM 0 HA LEU A 15 8.531 -4.637 -8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.907 -5.678 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.793 -6.783 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 15 10.199 -5.157 -9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.537 -4.408 -9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.618 -3.579 -8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.753 -4.883 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.928 -6.717 -10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.102 -7.347 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.568 -7.559 -9.493 1.00 0.00 H new ATOM 19 N ARG A 16 8.431 -5.738 -5.012 1.00 0.00 N ATOM 20 CA ARG A 16 7.543 -6.297 -4.006 1.00 0.00 C ATOM 21 C ARG A 16 6.530 -5.245 -3.550 1.00 0.00 C ATOM 22 O ARG A 16 5.350 -5.548 -3.378 1.00 0.00 O ATOM 23 CB ARG A 16 8.332 -6.796 -2.793 1.00 0.00 C ATOM 24 CG ARG A 16 8.427 -8.323 -2.793 1.00 0.00 C ATOM 25 CD ARG A 16 9.773 -8.788 -3.354 1.00 0.00 C ATOM 26 NE ARG A 16 10.646 -9.254 -2.255 1.00 0.00 N ATOM 27 CZ ARG A 16 11.994 -9.297 -2.323 1.00 0.00 C ATOM 28 NH1 ARG A 16 12.635 -8.902 -3.443 1.00 0.00 N ATOM 29 NH2 ARG A 16 12.675 -9.733 -1.280 1.00 0.00 N ATOM 0 H ARG A 16 9.406 -5.658 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 16 7.019 -7.140 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.333 -6.366 -2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.849 -6.458 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.303 -8.699 -1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.616 -8.742 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.618 -9.593 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.255 -7.970 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 16 10.202 -9.563 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.101 -8.568 -4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.653 -8.937 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.183 -10.032 -0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.694 -9.771 -1.316 1.00 0.00 H new ATOM 39 N GLU A 17 7.028 -4.031 -3.366 1.00 0.00 N ATOM 40 CA GLU A 17 6.180 -2.933 -2.932 1.00 0.00 C ATOM 41 C GLU A 17 5.538 -2.250 -4.141 1.00 0.00 C ATOM 42 O GLU A 17 4.431 -1.721 -4.044 1.00 0.00 O ATOM 43 CB GLU A 17 6.972 -1.929 -2.092 1.00 0.00 C ATOM 44 CG GLU A 17 7.575 -2.604 -0.857 1.00 0.00 C ATOM 45 CD GLU A 17 8.641 -3.627 -1.258 1.00 0.00 C ATOM 46 OE1 GLU A 17 9.461 -3.350 -2.145 1.00 0.00 O ATOM 47 OE2 GLU A 17 8.597 -4.741 -0.611 1.00 0.00 O ATOM 0 H GLU A 17 8.007 -3.783 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 17 5.387 -3.337 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.766 -1.491 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.319 -1.113 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.016 -1.850 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.788 -3.098 -0.287 1.00 0.00 H new ATOM 53 N ARG A 18 6.259 -2.281 -5.253 1.00 0.00 N ATOM 54 CA ARG A 18 5.774 -1.671 -6.477 1.00 0.00 C ATOM 55 C ARG A 18 4.464 -2.330 -6.915 1.00 0.00 C ATOM 56 O ARG A 18 3.616 -1.685 -7.530 1.00 0.00 O ATOM 57 CB ARG A 18 6.803 -1.801 -7.603 1.00 0.00 C ATOM 58 CG ARG A 18 7.418 -0.443 -7.943 1.00 0.00 C ATOM 59 CD ARG A 18 7.923 -0.415 -9.388 1.00 0.00 C ATOM 60 NE ARG A 18 7.138 0.558 -10.179 1.00 0.00 N ATOM 61 CZ ARG A 18 7.181 0.647 -11.526 1.00 0.00 C ATOM 62 NH1 ARG A 18 7.971 -0.180 -12.242 1.00 0.00 N ATOM 63 NH2 ARG A 18 6.438 1.555 -12.131 1.00 0.00 N ATOM 0 H ARG A 18 7.176 -2.720 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 18 5.604 -0.613 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.588 -2.495 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.327 -2.221 -8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.676 0.342 -7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.242 -0.233 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.979 -0.145 -9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.840 -1.408 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 18 6.527 1.201 -9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.542 -0.879 -11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.998 -0.106 -13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.843 2.176 -11.582 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.458 1.636 -13.148 1.00 0.00 H new ATOM 73 N GLN A 19 4.340 -3.607 -6.582 1.00 0.00 N ATOM 74 CA GLN A 19 3.148 -4.360 -6.933 1.00 0.00 C ATOM 75 C GLN A 19 2.072 -4.182 -5.858 1.00 0.00 C ATOM 76 O GLN A 19 0.897 -4.008 -6.175 1.00 0.00 O ATOM 77 CB GLN A 19 3.476 -5.839 -7.141 1.00 0.00 C ATOM 78 CG GLN A 19 3.457 -6.597 -5.812 1.00 0.00 C ATOM 79 CD GLN A 19 3.944 -8.036 -5.995 1.00 0.00 C ATOM 80 OE1 GLN A 19 4.469 -8.415 -7.029 1.00 0.00 O ATOM 81 NE2 GLN A 19 3.740 -8.815 -4.936 1.00 0.00 N ATOM 0 H GLN A 19 5.046 -4.139 -6.073 1.00 0.00 H new ATOM 0 HA GLN A 19 2.760 -3.972 -7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.754 -6.282 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.458 -5.936 -7.605 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.090 -6.084 -5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.446 -6.600 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.295 -8.434 -4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.029 -9.793 -4.959 1.00 0.00 H new ATOM 88 N VAL A 20 2.514 -4.231 -4.610 1.00 0.00 N ATOM 89 CA VAL A 20 1.604 -4.078 -3.488 1.00 0.00 C ATOM 90 C VAL A 20 1.108 -2.632 -3.434 1.00 0.00 C ATOM 91 O VAL A 20 -0.040 -2.379 -3.069 1.00 0.00 O ATOM 92 CB VAL A 20 2.288 -4.524 -2.195 1.00 0.00 C ATOM 93 CG1 VAL A 20 1.320 -4.463 -1.012 1.00 0.00 C ATOM 94 CG2 VAL A 20 2.882 -5.927 -2.344 1.00 0.00 C ATOM 0 H VAL A 20 3.490 -4.374 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 20 0.730 -4.717 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 20 3.106 -3.832 -1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.832 -4.785 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.966 -3.440 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.471 -5.120 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.362 -6.220 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.088 -6.635 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.619 -5.927 -3.147 1.00 0.00 H new ATOM 104 N LEU A 21 1.996 -1.721 -3.802 1.00 0.00 N ATOM 105 CA LEU A 21 1.663 -0.307 -3.798 1.00 0.00 C ATOM 106 C LEU A 21 0.542 -0.049 -4.809 1.00 0.00 C ATOM 107 O LEU A 21 -0.530 0.427 -4.442 1.00 0.00 O ATOM 108 CB LEU A 21 2.914 0.540 -4.039 1.00 0.00 C ATOM 109 CG LEU A 21 2.745 2.051 -3.870 1.00 0.00 C ATOM 110 CD1 LEU A 21 1.730 2.370 -2.770 1.00 0.00 C ATOM 111 CD2 LEU A 21 4.093 2.730 -3.621 1.00 0.00 C ATOM 0 H LEU A 21 2.946 -1.935 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 21 1.287 -0.007 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.694 0.203 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.271 0.345 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 21 2.348 2.456 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.629 3.451 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.764 1.938 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.073 1.949 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.944 3.803 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.542 2.326 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.755 2.545 -4.467 1.00 0.00 H new ATOM 122 N LYS A 22 0.831 -0.376 -6.058 1.00 0.00 N ATOM 123 CA LYS A 22 -0.139 -0.185 -7.125 1.00 0.00 C ATOM 124 C LYS A 22 -1.502 -0.710 -6.667 1.00 0.00 C ATOM 125 O LYS A 22 -2.536 -0.143 -7.014 1.00 0.00 O ATOM 126 CB LYS A 22 0.360 -0.823 -8.423 1.00 0.00 C ATOM 127 CG LYS A 22 0.666 0.246 -9.475 1.00 0.00 C ATOM 128 CD LYS A 22 0.378 -0.276 -10.885 1.00 0.00 C ATOM 129 CE LYS A 22 1.467 -1.246 -11.344 1.00 0.00 C ATOM 130 NZ LYS A 22 0.955 -2.635 -11.351 1.00 0.00 N ATOM 0 H LYS A 22 1.722 -0.772 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.261 0.876 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.257 -1.409 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.392 -1.512 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.065 1.134 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.711 0.546 -9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.590 -0.777 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.315 0.561 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.808 -0.973 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.330 -1.173 -10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.707 -3.281 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.651 -2.898 -10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.146 -2.704 -12.001 1.00 0.00 H new ATOM 139 N LEU A 23 -1.457 -1.787 -5.896 1.00 0.00 N ATOM 140 CA LEU A 23 -2.675 -2.392 -5.387 1.00 0.00 C ATOM 141 C LEU A 23 -3.194 -1.572 -4.206 1.00 0.00 C ATOM 142 O LEU A 23 -4.336 -1.115 -4.216 1.00 0.00 O ATOM 143 CB LEU A 23 -2.442 -3.868 -5.056 1.00 0.00 C ATOM 144 CG LEU A 23 -3.657 -4.639 -4.538 1.00 0.00 C ATOM 145 CD1 LEU A 23 -3.467 -6.148 -4.719 1.00 0.00 C ATOM 146 CD2 LEU A 23 -3.963 -4.272 -3.084 1.00 0.00 C ATOM 0 H LEU A 23 -0.597 -2.255 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.453 -2.378 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.075 -4.367 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.651 -3.932 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.523 -4.348 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.345 -6.673 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.335 -6.374 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.586 -6.473 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.831 -4.835 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.104 -4.515 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.172 -3.205 -3.014 1.00 0.00 H new ATOM 157 N ILE A 24 -2.330 -1.409 -3.214 1.00 0.00 N ATOM 158 CA ILE A 24 -2.687 -0.651 -2.026 1.00 0.00 C ATOM 159 C ILE A 24 -3.268 0.701 -2.446 1.00 0.00 C ATOM 160 O ILE A 24 -4.112 1.261 -1.748 1.00 0.00 O ATOM 161 CB ILE A 24 -1.488 -0.539 -1.083 1.00 0.00 C ATOM 162 CG1 ILE A 24 -1.930 -0.638 0.379 1.00 0.00 C ATOM 163 CG2 ILE A 24 -0.694 0.740 -1.355 1.00 0.00 C ATOM 164 CD1 ILE A 24 -0.767 -1.070 1.275 1.00 0.00 C ATOM 0 H ILE A 24 -1.383 -1.789 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.461 -1.169 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.821 -1.379 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.313 0.326 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.748 -1.353 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.153 0.795 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.330 0.731 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.338 1.607 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.108 -1.133 2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.403 -2.046 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.039 -0.340 1.202 1.00 0.00 H new ATOM 175 N ASP A 25 -2.793 1.187 -3.584 1.00 0.00 N ATOM 176 CA ASP A 25 -3.255 2.462 -4.104 1.00 0.00 C ATOM 177 C ASP A 25 -4.742 2.360 -4.447 1.00 0.00 C ATOM 178 O ASP A 25 -5.552 3.144 -3.956 1.00 0.00 O ATOM 179 CB ASP A 25 -2.499 2.843 -5.378 1.00 0.00 C ATOM 180 CG ASP A 25 -2.930 4.166 -6.016 1.00 0.00 C ATOM 181 OD1 ASP A 25 -3.588 4.999 -5.373 1.00 0.00 O ATOM 182 OD2 ASP A 25 -2.557 4.329 -7.239 1.00 0.00 O ATOM 0 H ASP A 25 -2.093 0.720 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.081 3.221 -3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.435 2.898 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.626 2.046 -6.110 1.00 0.00 H new ATOM 187 N GLU A 26 -5.055 1.387 -5.290 1.00 0.00 N ATOM 188 CA GLU A 26 -6.431 1.171 -5.707 1.00 0.00 C ATOM 189 C GLU A 26 -7.319 0.912 -4.487 1.00 0.00 C ATOM 190 O GLU A 26 -8.516 1.189 -4.518 1.00 0.00 O ATOM 191 CB GLU A 26 -6.527 0.020 -6.709 1.00 0.00 C ATOM 192 CG GLU A 26 -7.540 0.336 -7.811 1.00 0.00 C ATOM 193 CD GLU A 26 -7.063 -0.195 -9.164 1.00 0.00 C ATOM 194 OE1 GLU A 26 -5.853 -0.201 -9.435 1.00 0.00 O ATOM 195 OE2 GLU A 26 -7.998 -0.612 -9.947 1.00 0.00 O ATOM 0 H GLU A 26 -4.380 0.739 -5.696 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.785 2.073 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.548 -0.164 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.820 -0.894 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.504 -0.108 -7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.691 1.414 -7.872 1.00 0.00 H new ATOM 201 N GLY A 27 -6.697 0.382 -3.444 1.00 0.00 N ATOM 202 CA GLY A 27 -7.417 0.082 -2.218 1.00 0.00 C ATOM 203 C GLY A 27 -6.858 -1.175 -1.549 1.00 0.00 C ATOM 204 O GLY A 27 -5.650 -1.399 -1.547 1.00 0.00 O ATOM 0 H GLY A 27 -5.703 0.153 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.344 0.926 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.475 -0.059 -2.438 1.00 0.00 H new ATOM 208 N TYR A 28 -7.769 -1.965 -0.996 1.00 0.00 N ATOM 209 CA TYR A 28 -7.382 -3.195 -0.325 1.00 0.00 C ATOM 210 C TYR A 28 -6.491 -2.904 0.885 1.00 0.00 C ATOM 211 O TYR A 28 -5.309 -3.241 0.885 1.00 0.00 O ATOM 212 CB TYR A 28 -6.583 -4.001 -1.349 1.00 0.00 C ATOM 213 CG TYR A 28 -7.276 -4.145 -2.706 1.00 0.00 C ATOM 214 CD1 TYR A 28 -8.246 -5.109 -2.887 1.00 0.00 C ATOM 215 CD2 TYR A 28 -6.931 -3.309 -3.749 1.00 0.00 C ATOM 216 CE1 TYR A 28 -8.899 -5.244 -4.164 1.00 0.00 C ATOM 217 CE2 TYR A 28 -7.583 -3.444 -5.026 1.00 0.00 C ATOM 218 CZ TYR A 28 -8.534 -4.405 -5.170 1.00 0.00 C ATOM 219 OH TYR A 28 -9.151 -4.531 -6.376 1.00 0.00 O ATOM 0 H TYR A 28 -8.772 -1.777 -0.999 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.262 -3.729 0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.614 -3.523 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.390 -4.994 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.516 -5.763 -2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.172 -2.554 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.661 -5.994 -4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.323 -2.797 -5.850 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.716 -3.944 -7.029 1.00 0.00 H new ATOM 228 N THR A 29 -7.094 -2.280 1.886 1.00 0.00 N ATOM 229 CA THR A 29 -6.369 -1.940 3.099 1.00 0.00 C ATOM 230 C THR A 29 -5.334 -3.018 3.423 1.00 0.00 C ATOM 231 O THR A 29 -4.134 -2.804 3.247 1.00 0.00 O ATOM 232 CB THR A 29 -7.392 -1.727 4.217 1.00 0.00 C ATOM 233 OG1 THR A 29 -8.165 -0.616 3.773 1.00 0.00 O ATOM 234 CG2 THR A 29 -6.748 -1.238 5.515 1.00 0.00 C ATOM 0 H THR A 29 -8.075 -2.001 1.882 1.00 0.00 H new ATOM 0 HA THR A 29 -5.803 -1.017 2.974 1.00 0.00 H new ATOM 0 HB THR A 29 -7.923 -2.660 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.854 -0.410 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.518 -1.103 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.022 -1.974 5.861 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.245 -0.288 5.336 1.00 0.00 H new ATOM 242 N ASN A 30 -5.833 -4.154 3.887 1.00 0.00 N ATOM 243 CA ASN A 30 -4.965 -5.266 4.237 1.00 0.00 C ATOM 244 C ASN A 30 -5.597 -6.573 3.753 1.00 0.00 C ATOM 245 O ASN A 30 -5.022 -7.275 2.922 1.00 0.00 O ATOM 246 CB ASN A 30 -4.777 -5.364 5.752 1.00 0.00 C ATOM 247 CG ASN A 30 -3.524 -4.609 6.199 1.00 0.00 C ATOM 248 OD1 ASN A 30 -3.586 -3.534 6.772 1.00 0.00 O ATOM 249 ND2 ASN A 30 -2.385 -5.230 5.907 1.00 0.00 N ATOM 0 H ASN A 30 -6.828 -4.329 4.029 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.997 -5.099 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.652 -4.955 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.699 -6.411 6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.493 -4.807 6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.403 -6.129 5.425 1.00 0.00 H new ATOM 255 N HIS A 31 -6.772 -6.859 4.294 1.00 0.00 N ATOM 256 CA HIS A 31 -7.490 -8.068 3.926 1.00 0.00 C ATOM 257 C HIS A 31 -7.766 -8.066 2.422 1.00 0.00 C ATOM 258 O HIS A 31 -7.987 -9.118 1.827 1.00 0.00 O ATOM 259 CB HIS A 31 -8.762 -8.219 4.764 1.00 0.00 C ATOM 260 CG HIS A 31 -8.866 -9.541 5.488 1.00 0.00 C ATOM 261 ND1 HIS A 31 -8.863 -9.640 6.868 1.00 0.00 N ATOM 262 CD2 HIS A 31 -8.981 -10.813 5.010 1.00 0.00 C ATOM 263 CE1 HIS A 31 -8.968 -10.920 7.195 1.00 0.00 C ATOM 264 NE2 HIS A 31 -9.041 -11.645 6.042 1.00 0.00 N ATOM 0 H HIS A 31 -7.245 -6.275 4.984 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.875 -8.941 4.143 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.801 -7.412 5.495 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.629 -8.103 4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.017 -11.095 3.968 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.992 -11.319 8.198 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.127 -12.660 5.983 1.00 0.00 H new ATOM 271 N GLY A 32 -7.743 -6.870 1.851 1.00 0.00 N ATOM 272 CA GLY A 32 -7.988 -6.717 0.427 1.00 0.00 C ATOM 273 C GLY A 32 -6.825 -7.280 -0.392 1.00 0.00 C ATOM 274 O GLY A 32 -7.040 -7.978 -1.383 1.00 0.00 O ATOM 0 H GLY A 32 -7.559 -5.999 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.911 -7.230 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.128 -5.662 0.190 1.00 0.00 H new ATOM 278 N ILE A 33 -5.619 -6.954 0.049 1.00 0.00 N ATOM 279 CA ILE A 33 -4.423 -7.419 -0.632 1.00 0.00 C ATOM 280 C ILE A 33 -4.305 -8.935 -0.470 1.00 0.00 C ATOM 281 O ILE A 33 -3.634 -9.598 -1.260 1.00 0.00 O ATOM 282 CB ILE A 33 -3.194 -6.651 -0.141 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.508 -5.163 0.026 1.00 0.00 C ATOM 284 CG2 ILE A 33 -1.997 -6.883 -1.065 1.00 0.00 C ATOM 285 CD1 ILE A 33 -2.235 -4.320 -0.057 1.00 0.00 C ATOM 0 H ILE A 33 -5.445 -6.374 0.869 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.491 -7.217 -1.701 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.922 -7.035 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.208 -4.847 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.996 -4.997 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.137 -6.326 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.757 -7.946 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.243 -6.543 -2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.488 -3.267 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.547 -4.622 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.762 -4.470 -1.028 1.00 0.00 H new ATOM 296 N SER A 34 -4.967 -9.442 0.559 1.00 0.00 N ATOM 297 CA SER A 34 -4.946 -10.867 0.836 1.00 0.00 C ATOM 298 C SER A 34 -5.875 -11.602 -0.132 1.00 0.00 C ATOM 299 O SER A 34 -5.516 -12.649 -0.670 1.00 0.00 O ATOM 300 CB SER A 34 -5.351 -11.155 2.282 1.00 0.00 C ATOM 301 OG SER A 34 -6.576 -11.880 2.359 1.00 0.00 O ATOM 0 H SER A 34 -5.522 -8.890 1.212 1.00 0.00 H new ATOM 0 HA SER A 34 -3.927 -11.227 0.696 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.562 -11.724 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.451 -10.215 2.825 1.00 0.00 H new ATOM 0 HG SER A 34 -7.329 -11.264 2.241 1.00 0.00 H new ATOM 306 N GLU A 35 -7.053 -11.025 -0.326 1.00 0.00 N ATOM 307 CA GLU A 35 -8.036 -11.612 -1.219 1.00 0.00 C ATOM 308 C GLU A 35 -7.770 -11.176 -2.662 1.00 0.00 C ATOM 309 O GLU A 35 -8.143 -11.873 -3.603 1.00 0.00 O ATOM 310 CB GLU A 35 -9.457 -11.244 -0.789 1.00 0.00 C ATOM 311 CG GLU A 35 -10.466 -12.282 -1.282 1.00 0.00 C ATOM 312 CD GLU A 35 -11.888 -11.721 -1.256 1.00 0.00 C ATOM 313 OE1 GLU A 35 -12.299 -11.117 -0.253 1.00 0.00 O ATOM 314 OE2 GLU A 35 -12.577 -11.927 -2.327 1.00 0.00 O ATOM 0 H GLU A 35 -7.348 -10.157 0.121 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.945 -12.697 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.505 -11.173 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.717 -10.262 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.211 -12.589 -2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.411 -13.173 -0.656 1.00 0.00 H new ATOM 320 N LYS A 36 -7.127 -10.024 -2.788 1.00 0.00 N ATOM 321 CA LYS A 36 -6.807 -9.486 -4.100 1.00 0.00 C ATOM 322 C LYS A 36 -5.428 -9.988 -4.529 1.00 0.00 C ATOM 323 O LYS A 36 -5.283 -10.579 -5.599 1.00 0.00 O ATOM 324 CB LYS A 36 -6.934 -7.961 -4.099 1.00 0.00 C ATOM 325 CG LYS A 36 -7.199 -7.432 -5.510 1.00 0.00 C ATOM 326 CD LYS A 36 -6.156 -6.386 -5.908 1.00 0.00 C ATOM 327 CE LYS A 36 -6.629 -5.572 -7.114 1.00 0.00 C ATOM 328 NZ LYS A 36 -5.757 -5.824 -8.284 1.00 0.00 N ATOM 0 H LYS A 36 -6.819 -9.449 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.521 -9.842 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.745 -7.661 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.020 -7.517 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.181 -8.258 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.196 -6.993 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.965 -5.719 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.213 -6.879 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.658 -5.835 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.621 -4.510 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.092 -5.264 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.780 -5.551 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.786 -6.835 -8.527 1.00 0.00 H new ATOM 337 N LEU A 37 -4.448 -9.736 -3.674 1.00 0.00 N ATOM 338 CA LEU A 37 -3.086 -10.154 -3.952 1.00 0.00 C ATOM 339 C LEU A 37 -2.931 -11.637 -3.603 1.00 0.00 C ATOM 340 O LEU A 37 -2.461 -12.424 -4.423 1.00 0.00 O ATOM 341 CB LEU A 37 -2.088 -9.245 -3.229 1.00 0.00 C ATOM 342 CG LEU A 37 -0.878 -8.792 -4.049 1.00 0.00 C ATOM 343 CD1 LEU A 37 -1.319 -8.109 -5.345 1.00 0.00 C ATOM 344 CD2 LEU A 37 0.046 -7.902 -3.216 1.00 0.00 C ATOM 0 H LEU A 37 -4.571 -9.247 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.865 -10.051 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.619 -8.359 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.727 -9.767 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.305 -9.675 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.440 -7.797 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.905 -8.807 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.927 -7.236 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.898 -7.594 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.501 -7.020 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.401 -8.457 -2.348 1.00 0.00 H new ATOM 355 N HIS A 38 -3.334 -11.970 -2.386 1.00 0.00 N ATOM 356 CA HIS A 38 -3.248 -13.344 -1.919 1.00 0.00 C ATOM 357 C HIS A 38 -3.087 -13.360 -0.398 1.00 0.00 C ATOM 358 O HIS A 38 -2.314 -12.580 0.157 1.00 0.00 O ATOM 359 CB HIS A 38 -2.124 -14.091 -2.640 1.00 0.00 C ATOM 360 CG HIS A 38 -1.578 -15.270 -1.870 1.00 0.00 C ATOM 361 ND1 HIS A 38 -2.214 -16.498 -1.827 1.00 0.00 N ATOM 362 CD2 HIS A 38 -0.447 -15.394 -1.115 1.00 0.00 C ATOM 363 CE1 HIS A 38 -1.491 -17.318 -1.076 1.00 0.00 C ATOM 364 NE2 HIS A 38 -0.398 -16.631 -0.635 1.00 0.00 N ATOM 0 H HIS A 38 -3.721 -11.313 -1.709 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.171 -13.872 -2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.493 -14.440 -3.604 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.311 -13.394 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.283 -14.618 -0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.726 -18.348 -0.853 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.337 -17.006 -0.035 1.00 0.00 H new ATOM 371 N ILE A 39 -3.831 -14.256 0.234 1.00 0.00 N ATOM 372 CA ILE A 39 -3.782 -14.383 1.680 1.00 0.00 C ATOM 373 C ILE A 39 -2.338 -14.209 2.155 1.00 0.00 C ATOM 374 O ILE A 39 -1.522 -15.119 2.019 1.00 0.00 O ATOM 375 CB ILE A 39 -4.419 -15.702 2.124 1.00 0.00 C ATOM 376 CG1 ILE A 39 -5.946 -15.615 2.075 1.00 0.00 C ATOM 377 CG2 ILE A 39 -3.912 -16.118 3.506 1.00 0.00 C ATOM 378 CD1 ILE A 39 -6.564 -16.988 1.795 1.00 0.00 C ATOM 0 H ILE A 39 -4.471 -14.901 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.371 -13.596 2.151 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.118 -16.481 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.323 -15.229 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.249 -14.911 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.380 -17.058 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.830 -16.246 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.164 -15.346 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.650 -16.899 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.204 -17.360 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.279 -17.683 2.584 1.00 0.00 H new ATOM 389 N SER A 40 -2.067 -13.033 2.701 1.00 0.00 N ATOM 390 CA SER A 40 -0.736 -12.726 3.196 1.00 0.00 C ATOM 391 C SER A 40 -0.727 -11.347 3.857 1.00 0.00 C ATOM 392 O SER A 40 0.135 -10.519 3.566 1.00 0.00 O ATOM 393 CB SER A 40 0.297 -12.780 2.068 1.00 0.00 C ATOM 394 OG SER A 40 1.417 -13.596 2.408 1.00 0.00 O ATOM 0 H SER A 40 -2.747 -12.281 2.812 1.00 0.00 H new ATOM 0 HA SER A 40 -0.466 -13.478 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.173 -13.168 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.639 -11.770 1.841 1.00 0.00 H new ATOM 0 HG SER A 40 2.053 -13.606 1.662 1.00 0.00 H new ATOM 399 N ILE A 41 -1.698 -11.140 4.736 1.00 0.00 N ATOM 400 CA ILE A 41 -1.815 -9.875 5.440 1.00 0.00 C ATOM 401 C ILE A 41 -0.513 -9.596 6.195 1.00 0.00 C ATOM 402 O ILE A 41 -0.156 -8.441 6.419 1.00 0.00 O ATOM 403 CB ILE A 41 -3.057 -9.871 6.333 1.00 0.00 C ATOM 404 CG1 ILE A 41 -4.334 -9.954 5.494 1.00 0.00 C ATOM 405 CG2 ILE A 41 -3.060 -8.656 7.263 1.00 0.00 C ATOM 406 CD1 ILE A 41 -5.523 -9.355 6.248 1.00 0.00 C ATOM 0 H ILE A 41 -2.411 -11.829 4.976 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.957 -9.057 4.734 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.027 -10.759 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.191 -9.423 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.543 -10.994 5.245 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.954 -8.678 7.887 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.174 -8.681 7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.055 -7.743 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.418 -9.426 5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.678 -9.903 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.320 -8.308 6.474 1.00 0.00 H new ATOM 417 N LYS A 42 0.160 -10.675 6.568 1.00 0.00 N ATOM 418 CA LYS A 42 1.414 -10.562 7.293 1.00 0.00 C ATOM 419 C LYS A 42 2.504 -10.061 6.343 1.00 0.00 C ATOM 420 O LYS A 42 3.371 -9.284 6.743 1.00 0.00 O ATOM 421 CB LYS A 42 1.757 -11.884 7.981 1.00 0.00 C ATOM 422 CG LYS A 42 1.298 -11.880 9.439 1.00 0.00 C ATOM 423 CD LYS A 42 1.084 -13.306 9.951 1.00 0.00 C ATOM 424 CE LYS A 42 1.003 -13.334 11.480 1.00 0.00 C ATOM 425 NZ LYS A 42 0.305 -14.555 11.940 1.00 0.00 N ATOM 0 H LYS A 42 -0.140 -11.632 6.381 1.00 0.00 H new ATOM 0 HA LYS A 42 1.326 -9.827 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.282 -12.708 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.833 -12.053 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.041 -11.376 10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.371 -11.314 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.167 -13.714 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.902 -13.943 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.007 -13.300 11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.476 -12.450 11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.259 -14.558 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.659 -14.571 11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.824 -15.395 11.614 1.00 0.00 H new ATOM 434 N THR A 43 2.425 -10.526 5.105 1.00 0.00 N ATOM 435 CA THR A 43 3.394 -10.135 4.096 1.00 0.00 C ATOM 436 C THR A 43 3.279 -8.639 3.797 1.00 0.00 C ATOM 437 O THR A 43 4.287 -7.946 3.681 1.00 0.00 O ATOM 438 CB THR A 43 3.180 -11.020 2.867 1.00 0.00 C ATOM 439 OG1 THR A 43 4.499 -11.285 2.395 1.00 0.00 O ATOM 440 CG2 THR A 43 2.515 -10.267 1.713 1.00 0.00 C ATOM 0 H THR A 43 1.705 -11.170 4.778 1.00 0.00 H new ATOM 0 HA THR A 43 4.415 -10.285 4.448 1.00 0.00 H new ATOM 0 HB THR A 43 2.568 -11.879 3.141 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.453 -11.855 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.386 -10.940 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.541 -9.896 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.143 -9.427 1.417 1.00 0.00 H new ATOM 448 N VAL A 44 2.038 -8.186 3.679 1.00 0.00 N ATOM 449 CA VAL A 44 1.776 -6.785 3.394 1.00 0.00 C ATOM 450 C VAL A 44 2.391 -5.923 4.498 1.00 0.00 C ATOM 451 O VAL A 44 2.911 -4.841 4.229 1.00 0.00 O ATOM 452 CB VAL A 44 0.274 -6.558 3.223 1.00 0.00 C ATOM 453 CG1 VAL A 44 -0.050 -5.064 3.153 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.255 -7.293 1.990 1.00 0.00 C ATOM 0 H VAL A 44 1.204 -8.765 3.776 1.00 0.00 H new ATOM 0 HA VAL A 44 2.243 -6.491 2.454 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.229 -6.969 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.125 -4.930 3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.274 -4.578 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.469 -4.618 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.326 -7.115 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.257 -6.926 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.074 -8.362 2.098 1.00 0.00 H new ATOM 464 N GLU A 45 2.310 -6.434 5.718 1.00 0.00 N ATOM 465 CA GLU A 45 2.851 -5.722 6.865 1.00 0.00 C ATOM 466 C GLU A 45 4.332 -5.408 6.644 1.00 0.00 C ATOM 467 O GLU A 45 4.765 -4.273 6.835 1.00 0.00 O ATOM 468 CB GLU A 45 2.647 -6.522 8.152 1.00 0.00 C ATOM 469 CG GLU A 45 1.326 -6.146 8.828 1.00 0.00 C ATOM 470 CD GLU A 45 1.312 -6.593 10.292 1.00 0.00 C ATOM 471 OE1 GLU A 45 2.070 -7.498 10.670 1.00 0.00 O ATOM 472 OE2 GLU A 45 0.477 -5.961 11.046 1.00 0.00 O ATOM 0 H GLU A 45 1.878 -7.332 5.938 1.00 0.00 H new ATOM 0 HA GLU A 45 2.312 -4.781 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.654 -7.588 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.475 -6.336 8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.179 -5.067 8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.496 -6.609 8.295 1.00 0.00 H new ATOM 478 N THR A 46 5.069 -6.434 6.244 1.00 0.00 N ATOM 479 CA THR A 46 6.492 -6.282 5.994 1.00 0.00 C ATOM 480 C THR A 46 6.729 -5.344 4.809 1.00 0.00 C ATOM 481 O THR A 46 7.635 -4.513 4.843 1.00 0.00 O ATOM 482 CB THR A 46 7.088 -7.676 5.794 1.00 0.00 C ATOM 483 OG1 THR A 46 6.991 -8.285 7.079 1.00 0.00 O ATOM 484 CG2 THR A 46 8.592 -7.636 5.513 1.00 0.00 C ATOM 0 H THR A 46 4.707 -7.374 6.087 1.00 0.00 H new ATOM 0 HA THR A 46 6.995 -5.816 6.842 1.00 0.00 H new ATOM 0 HB THR A 46 6.578 -8.172 4.969 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.354 -9.194 7.038 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.964 -8.652 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.778 -7.059 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.107 -7.169 6.353 1.00 0.00 H new ATOM 492 N HIS A 47 5.899 -5.508 3.790 1.00 0.00 N ATOM 493 CA HIS A 47 6.005 -4.686 2.597 1.00 0.00 C ATOM 494 C HIS A 47 5.780 -3.217 2.964 1.00 0.00 C ATOM 495 O HIS A 47 6.395 -2.327 2.381 1.00 0.00 O ATOM 496 CB HIS A 47 5.050 -5.180 1.509 1.00 0.00 C ATOM 497 CG HIS A 47 5.441 -6.509 0.906 1.00 0.00 C ATOM 498 ND1 HIS A 47 4.513 -7.407 0.409 1.00 0.00 N ATOM 499 CD2 HIS A 47 6.666 -7.079 0.725 1.00 0.00 C ATOM 500 CE1 HIS A 47 5.162 -8.467 -0.048 1.00 0.00 C ATOM 501 NE2 HIS A 47 6.495 -8.264 0.151 1.00 0.00 N ATOM 0 H HIS A 47 5.149 -6.199 3.766 1.00 0.00 H new ATOM 0 HA HIS A 47 7.009 -4.770 2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.048 -5.264 1.930 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.001 -4.433 0.716 1.00 0.00 H new ATOM 0 HD1 HIS A 47 3.502 -7.275 0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.614 -6.641 1.001 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.714 -9.340 -0.499 1.00 0.00 H new ATOM 508 N ARG A 48 4.892 -3.011 3.926 1.00 0.00 N ATOM 509 CA ARG A 48 4.577 -1.667 4.377 1.00 0.00 C ATOM 510 C ARG A 48 5.843 -0.960 4.867 1.00 0.00 C ATOM 511 O ARG A 48 6.173 0.127 4.396 1.00 0.00 O ATOM 512 CB ARG A 48 3.546 -1.693 5.507 1.00 0.00 C ATOM 513 CG ARG A 48 3.252 -0.280 6.014 1.00 0.00 C ATOM 514 CD ARG A 48 2.773 -0.307 7.467 1.00 0.00 C ATOM 515 NE ARG A 48 3.731 0.419 8.329 1.00 0.00 N ATOM 516 CZ ARG A 48 3.896 0.177 9.647 1.00 0.00 C ATOM 517 NH1 ARG A 48 3.166 -0.775 10.266 1.00 0.00 N ATOM 518 NH2 ARG A 48 4.782 0.886 10.322 1.00 0.00 N ATOM 0 H ARG A 48 4.381 -3.753 4.405 1.00 0.00 H new ATOM 0 HA ARG A 48 4.158 -1.123 3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.625 -2.155 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.916 -2.308 6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.150 0.333 5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.492 0.185 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.786 0.149 7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.674 -1.338 7.807 1.00 0.00 H new ATOM 0 HE ARG A 48 4.302 1.148 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.483 -1.318 9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.297 -0.951 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.329 1.604 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.919 0.716 11.318 1.00 0.00 H new ATOM 528 N MET A 49 6.517 -1.606 5.806 1.00 0.00 N ATOM 529 CA MET A 49 7.739 -1.054 6.365 1.00 0.00 C ATOM 530 C MET A 49 8.727 -0.679 5.258 1.00 0.00 C ATOM 531 O MET A 49 9.496 0.269 5.403 1.00 0.00 O ATOM 532 CB MET A 49 8.383 -2.079 7.300 1.00 0.00 C ATOM 533 CG MET A 49 8.133 -1.719 8.765 1.00 0.00 C ATOM 534 SD MET A 49 8.163 -3.193 9.771 1.00 0.00 S ATOM 535 CE MET A 49 6.430 -3.621 9.745 1.00 0.00 C ATOM 0 H MET A 49 6.240 -2.508 6.194 1.00 0.00 H new ATOM 0 HA MET A 49 7.486 -0.152 6.922 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.980 -3.070 7.092 1.00 0.00 H new ATOM 0 HB3 MET A 49 9.456 -2.125 7.111 1.00 0.00 H new ATOM 0 HG2 MET A 49 8.893 -1.018 9.110 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.169 -1.220 8.866 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.323 -4.706 9.741 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.941 -3.211 10.629 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.967 -3.208 8.849 1.00 0.00 H new ATOM 543 N ASN A 50 8.673 -1.443 4.178 1.00 0.00 N ATOM 544 CA ASN A 50 9.554 -1.204 3.047 1.00 0.00 C ATOM 545 C ASN A 50 9.077 0.035 2.287 1.00 0.00 C ATOM 546 O ASN A 50 9.883 0.876 1.895 1.00 0.00 O ATOM 547 CB ASN A 50 9.541 -2.389 2.078 1.00 0.00 C ATOM 548 CG ASN A 50 10.754 -3.292 2.299 1.00 0.00 C ATOM 549 OD1 ASN A 50 11.165 -3.561 3.417 1.00 0.00 O ATOM 550 ND2 ASN A 50 11.303 -3.747 1.176 1.00 0.00 N ATOM 0 H ASN A 50 8.033 -2.228 4.061 1.00 0.00 H new ATOM 0 HA ASN A 50 10.565 -1.064 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.625 -2.964 2.214 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.538 -2.023 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.117 -4.360 1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.909 -3.483 0.273 1.00 0.00 H new ATOM 556 N MET A 51 7.767 0.108 2.102 1.00 0.00 N ATOM 557 CA MET A 51 7.172 1.230 1.396 1.00 0.00 C ATOM 558 C MET A 51 7.362 2.532 2.178 1.00 0.00 C ATOM 559 O MET A 51 7.726 3.556 1.604 1.00 0.00 O ATOM 560 CB MET A 51 5.678 0.970 1.192 1.00 0.00 C ATOM 561 CG MET A 51 5.453 -0.226 0.264 1.00 0.00 C ATOM 562 SD MET A 51 4.176 -1.283 0.929 1.00 0.00 S ATOM 563 CE MET A 51 2.725 -0.388 0.399 1.00 0.00 C ATOM 0 H MET A 51 7.101 -0.592 2.429 1.00 0.00 H new ATOM 0 HA MET A 51 7.667 1.332 0.430 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.203 0.783 2.155 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.205 1.857 0.770 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.168 0.122 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.380 -0.788 0.151 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.921 -1.092 0.185 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.409 0.294 1.189 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.957 0.182 -0.501 1.00 0.00 H new ATOM 571 N MET A 52 7.104 2.448 3.474 1.00 0.00 N ATOM 572 CA MET A 52 7.241 3.607 4.341 1.00 0.00 C ATOM 573 C MET A 52 8.708 4.019 4.476 1.00 0.00 C ATOM 574 O MET A 52 9.006 5.156 4.838 1.00 0.00 O ATOM 575 CB MET A 52 6.671 3.282 5.724 1.00 0.00 C ATOM 576 CG MET A 52 5.208 2.848 5.625 1.00 0.00 C ATOM 577 SD MET A 52 4.275 4.053 4.696 1.00 0.00 S ATOM 578 CE MET A 52 3.896 3.094 3.238 1.00 0.00 C ATOM 0 H MET A 52 6.801 1.596 3.946 1.00 0.00 H new ATOM 0 HA MET A 52 6.689 4.436 3.898 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.259 2.489 6.187 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.752 4.157 6.369 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.141 1.873 5.142 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.784 2.739 6.623 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.868 3.287 2.933 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.573 3.375 2.431 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.016 2.033 3.459 1.00 0.00 H new ATOM 586 N ARG A 53 9.586 3.072 4.178 1.00 0.00 N ATOM 587 CA ARG A 53 11.014 3.323 4.263 1.00 0.00 C ATOM 588 C ARG A 53 11.507 4.018 2.992 1.00 0.00 C ATOM 589 O ARG A 53 12.283 4.969 3.062 1.00 0.00 O ATOM 590 CB ARG A 53 11.791 2.019 4.457 1.00 0.00 C ATOM 591 CG ARG A 53 12.345 1.918 5.879 1.00 0.00 C ATOM 592 CD ARG A 53 12.903 0.519 6.153 1.00 0.00 C ATOM 593 NE ARG A 53 13.738 0.537 7.374 1.00 0.00 N ATOM 594 CZ ARG A 53 14.082 -0.565 8.072 1.00 0.00 C ATOM 595 NH1 ARG A 53 13.662 -1.786 7.676 1.00 0.00 N ATOM 596 NH2 ARG A 53 14.833 -0.433 9.150 1.00 0.00 N ATOM 0 H ARG A 53 9.335 2.130 3.878 1.00 0.00 H new ATOM 0 HA ARG A 53 11.187 3.968 5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.139 1.169 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.610 1.969 3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.130 2.661 6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.557 2.146 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.085 -0.191 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.495 0.182 5.302 1.00 0.00 H new ATOM 0 HE ARG A 53 14.075 1.440 7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.080 -1.880 6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.927 -2.614 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.145 0.493 9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.102 -1.257 9.688 1.00 0.00 H new ATOM 606 N LYS A 54 11.036 3.515 1.860 1.00 0.00 N ATOM 607 CA LYS A 54 11.419 4.076 0.575 1.00 0.00 C ATOM 608 C LYS A 54 10.675 5.394 0.358 1.00 0.00 C ATOM 609 O LYS A 54 11.294 6.424 0.094 1.00 0.00 O ATOM 610 CB LYS A 54 11.201 3.054 -0.542 1.00 0.00 C ATOM 611 CG LYS A 54 12.354 2.050 -0.601 1.00 0.00 C ATOM 612 CD LYS A 54 13.538 2.621 -1.386 1.00 0.00 C ATOM 613 CE LYS A 54 14.784 1.752 -1.210 1.00 0.00 C ATOM 614 NZ LYS A 54 15.950 2.376 -1.873 1.00 0.00 N ATOM 0 H LYS A 54 10.393 2.725 1.806 1.00 0.00 H new ATOM 0 HA LYS A 54 12.485 4.305 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.262 2.525 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.114 3.569 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.672 1.796 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.014 1.127 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.281 2.684 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.748 3.636 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.992 1.615 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.606 0.762 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.787 1.773 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.755 2.484 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.129 3.311 -1.453 1.00 0.00 H new ATOM 623 N LEU A 55 9.358 5.321 0.476 1.00 0.00 N ATOM 624 CA LEU A 55 8.522 6.496 0.294 1.00 0.00 C ATOM 625 C LEU A 55 8.807 7.496 1.416 1.00 0.00 C ATOM 626 O LEU A 55 8.605 8.698 1.247 1.00 0.00 O ATOM 627 CB LEU A 55 7.050 6.095 0.187 1.00 0.00 C ATOM 628 CG LEU A 55 6.715 5.057 -0.887 1.00 0.00 C ATOM 629 CD1 LEU A 55 5.947 3.877 -0.286 1.00 0.00 C ATOM 630 CD2 LEU A 55 5.959 5.697 -2.052 1.00 0.00 C ATOM 0 H LEU A 55 8.848 4.465 0.696 1.00 0.00 H new ATOM 0 HA LEU A 55 8.762 6.993 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.729 5.706 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.462 6.992 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 55 7.650 4.665 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.721 3.153 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.555 3.401 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.017 4.235 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.734 4.937 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.029 6.134 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.574 6.477 -2.500 1.00 0.00 H new ATOM 641 N GLN A 56 9.272 6.963 2.536 1.00 0.00 N ATOM 642 CA GLN A 56 9.588 7.795 3.686 1.00 0.00 C ATOM 643 C GLN A 56 8.342 8.552 4.150 1.00 0.00 C ATOM 644 O GLN A 56 8.447 9.629 4.734 1.00 0.00 O ATOM 645 CB GLN A 56 10.729 8.761 3.367 1.00 0.00 C ATOM 646 CG GLN A 56 12.089 8.087 3.560 1.00 0.00 C ATOM 647 CD GLN A 56 13.125 9.082 4.085 1.00 0.00 C ATOM 648 OE1 GLN A 56 12.855 9.904 4.945 1.00 0.00 O ATOM 649 NE2 GLN A 56 14.324 8.963 3.522 1.00 0.00 N ATOM 0 H GLN A 56 9.438 5.966 2.672 1.00 0.00 H new ATOM 0 HA GLN A 56 9.921 7.148 4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.636 9.112 2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.659 9.637 4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.991 7.256 4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.429 7.669 2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.484 8.253 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.084 9.582 3.805 1.00 0.00 H new ATOM 656 N VAL A 57 7.190 7.958 3.873 1.00 0.00 N ATOM 657 CA VAL A 57 5.925 8.564 4.254 1.00 0.00 C ATOM 658 C VAL A 57 5.578 8.149 5.686 1.00 0.00 C ATOM 659 O VAL A 57 6.442 7.685 6.428 1.00 0.00 O ATOM 660 CB VAL A 57 4.839 8.188 3.244 1.00 0.00 C ATOM 661 CG1 VAL A 57 5.337 8.372 1.810 1.00 0.00 C ATOM 662 CG2 VAL A 57 4.346 6.758 3.475 1.00 0.00 C ATOM 0 H VAL A 57 7.106 7.064 3.389 1.00 0.00 H new ATOM 0 HA VAL A 57 6.002 9.651 4.239 1.00 0.00 H new ATOM 0 HB VAL A 57 3.995 8.861 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.546 8.098 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.615 9.414 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.206 7.735 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.575 6.516 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.179 6.064 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.932 6.674 4.480 1.00 0.00 H new ATOM 672 N HIS A 58 4.312 8.334 6.031 1.00 0.00 N ATOM 673 CA HIS A 58 3.841 7.985 7.360 1.00 0.00 C ATOM 674 C HIS A 58 3.579 6.479 7.434 1.00 0.00 C ATOM 675 O HIS A 58 4.380 5.733 7.995 1.00 0.00 O ATOM 676 CB HIS A 58 2.615 8.818 7.738 1.00 0.00 C ATOM 677 CG HIS A 58 2.629 9.322 9.162 1.00 0.00 C ATOM 678 ND1 HIS A 58 3.788 9.729 9.802 1.00 0.00 N ATOM 679 CD2 HIS A 58 1.617 9.480 10.061 1.00 0.00 C ATOM 680 CE1 HIS A 58 3.473 10.111 11.031 1.00 0.00 C ATOM 681 NE2 HIS A 58 2.128 9.956 11.190 1.00 0.00 N ATOM 0 H HIS A 58 3.599 8.721 5.413 1.00 0.00 H new ATOM 0 HA HIS A 58 4.610 8.221 8.095 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.546 9.671 7.062 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.719 8.217 7.585 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.575 9.256 9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.161 10.481 11.777 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.601 10.170 12.037 1.00 0.00 H new ATOM 688 N LYS A 59 2.455 6.078 6.859 1.00 0.00 N ATOM 689 CA LYS A 59 2.078 4.675 6.852 1.00 0.00 C ATOM 690 C LYS A 59 1.405 4.338 5.520 1.00 0.00 C ATOM 691 O LYS A 59 1.638 5.009 4.516 1.00 0.00 O ATOM 692 CB LYS A 59 1.220 4.344 8.076 1.00 0.00 C ATOM 693 CG LYS A 59 1.530 2.941 8.600 1.00 0.00 C ATOM 694 CD LYS A 59 1.506 2.909 10.130 1.00 0.00 C ATOM 695 CE LYS A 59 1.339 1.479 10.646 1.00 0.00 C ATOM 696 NZ LYS A 59 0.084 1.351 11.421 1.00 0.00 N ATOM 0 H LYS A 59 1.793 6.700 6.395 1.00 0.00 H new ATOM 0 HA LYS A 59 2.963 4.043 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.402 5.078 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.164 4.413 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.801 2.233 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.509 2.623 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.430 3.335 10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.689 3.530 10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.328 0.782 9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.189 1.211 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.014 0.374 11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.109 2.002 12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.726 1.587 10.812 1.00 0.00 H new ATOM 705 N VAL A 60 0.584 3.299 5.555 1.00 0.00 N ATOM 706 CA VAL A 60 -0.124 2.866 4.363 1.00 0.00 C ATOM 707 C VAL A 60 -1.096 3.963 3.924 1.00 0.00 C ATOM 708 O VAL A 60 -1.393 4.097 2.737 1.00 0.00 O ATOM 709 CB VAL A 60 -0.816 1.526 4.623 1.00 0.00 C ATOM 710 CG1 VAL A 60 -1.882 1.244 3.563 1.00 0.00 C ATOM 711 CG2 VAL A 60 0.203 0.387 4.691 1.00 0.00 C ATOM 0 H VAL A 60 0.393 2.745 6.390 1.00 0.00 H new ATOM 0 HA VAL A 60 0.575 2.703 3.543 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.314 1.589 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.358 0.286 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.633 2.034 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.416 1.211 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.315 -0.554 4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.742 0.324 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.909 0.578 5.499 1.00 0.00 H new ATOM 721 N THR A 61 -1.563 4.723 4.905 1.00 0.00 N ATOM 722 CA THR A 61 -2.495 5.804 4.635 1.00 0.00 C ATOM 723 C THR A 61 -1.802 6.920 3.850 1.00 0.00 C ATOM 724 O THR A 61 -2.272 7.318 2.784 1.00 0.00 O ATOM 725 CB THR A 61 -3.076 6.272 5.970 1.00 0.00 C ATOM 726 OG1 THR A 61 -3.911 7.371 5.619 1.00 0.00 O ATOM 727 CG2 THR A 61 -2.018 6.886 6.887 1.00 0.00 C ATOM 0 H THR A 61 -1.313 4.611 5.887 1.00 0.00 H new ATOM 0 HA THR A 61 -3.319 5.468 4.005 1.00 0.00 H new ATOM 0 HB THR A 61 -3.548 5.429 6.475 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.330 7.735 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.484 7.201 7.820 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.246 6.146 7.099 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.568 7.749 6.397 1.00 0.00 H new ATOM 735 N GLU A 62 -0.697 7.394 4.406 1.00 0.00 N ATOM 736 CA GLU A 62 0.065 8.456 3.772 1.00 0.00 C ATOM 737 C GLU A 62 0.436 8.061 2.341 1.00 0.00 C ATOM 738 O GLU A 62 0.285 8.855 1.415 1.00 0.00 O ATOM 739 CB GLU A 62 1.312 8.799 4.589 1.00 0.00 C ATOM 740 CG GLU A 62 1.856 10.178 4.206 1.00 0.00 C ATOM 741 CD GLU A 62 0.801 11.265 4.432 1.00 0.00 C ATOM 742 OE1 GLU A 62 0.341 11.454 5.567 1.00 0.00 O ATOM 743 OE2 GLU A 62 0.465 11.924 3.376 1.00 0.00 O ATOM 0 H GLU A 62 -0.311 7.062 5.290 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.558 9.350 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.071 8.781 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.079 8.043 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.744 10.400 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.162 10.175 3.160 1.00 0.00 H new ATOM 749 N LEU A 63 0.916 6.833 2.207 1.00 0.00 N ATOM 750 CA LEU A 63 1.311 6.323 0.905 1.00 0.00 C ATOM 751 C LEU A 63 0.088 6.275 -0.012 1.00 0.00 C ATOM 752 O LEU A 63 0.179 6.611 -1.193 1.00 0.00 O ATOM 753 CB LEU A 63 2.023 4.976 1.051 1.00 0.00 C ATOM 754 CG LEU A 63 2.229 4.184 -0.241 1.00 0.00 C ATOM 755 CD1 LEU A 63 3.025 4.999 -1.263 1.00 0.00 C ATOM 756 CD2 LEU A 63 2.882 2.830 0.045 1.00 0.00 C ATOM 0 H LEU A 63 1.040 6.177 2.978 1.00 0.00 H new ATOM 0 HA LEU A 63 2.034 6.991 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.998 5.150 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.452 4.359 1.745 1.00 0.00 H new ATOM 0 HG LEU A 63 1.251 3.985 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.157 4.413 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.484 5.916 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.001 5.250 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.017 2.287 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.852 2.986 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.243 2.251 0.712 1.00 0.00 H new ATOM 767 N LEU A 64 -1.028 5.856 0.565 1.00 0.00 N ATOM 768 CA LEU A 64 -2.269 5.761 -0.186 1.00 0.00 C ATOM 769 C LEU A 64 -2.515 7.078 -0.925 1.00 0.00 C ATOM 770 O LEU A 64 -3.058 7.082 -2.030 1.00 0.00 O ATOM 771 CB LEU A 64 -3.420 5.347 0.732 1.00 0.00 C ATOM 772 CG LEU A 64 -3.887 3.896 0.608 1.00 0.00 C ATOM 773 CD1 LEU A 64 -2.695 2.937 0.559 1.00 0.00 C ATOM 774 CD2 LEU A 64 -4.864 3.535 1.730 1.00 0.00 C ATOM 0 H LEU A 64 -1.099 5.578 1.544 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.198 4.979 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.117 5.523 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.270 6.000 0.533 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.424 3.792 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.056 1.912 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.070 3.177 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.109 3.038 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.180 2.498 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.373 3.662 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.735 4.188 1.678 1.00 0.00 H new ATOM 785 N ASN A 65 -2.104 8.164 -0.286 1.00 0.00 N ATOM 786 CA ASN A 65 -2.273 9.483 -0.871 1.00 0.00 C ATOM 787 C ASN A 65 -1.192 9.711 -1.929 1.00 0.00 C ATOM 788 O ASN A 65 -1.397 10.463 -2.880 1.00 0.00 O ATOM 789 CB ASN A 65 -2.134 10.576 0.189 1.00 0.00 C ATOM 790 CG ASN A 65 -2.054 11.961 -0.456 1.00 0.00 C ATOM 791 OD1 ASN A 65 -2.886 12.348 -1.262 1.00 0.00 O ATOM 792 ND2 ASN A 65 -1.011 12.685 -0.059 1.00 0.00 N ATOM 0 H ASN A 65 -1.655 8.157 0.630 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.269 9.531 -1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.984 10.537 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.239 10.397 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.870 13.624 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.352 12.301 0.619 1.00 0.00 H new ATOM 798 N CYS A 66 -0.062 9.047 -1.727 1.00 0.00 N ATOM 799 CA CYS A 66 1.051 9.167 -2.652 1.00 0.00 C ATOM 800 C CYS A 66 0.623 8.583 -4.001 1.00 0.00 C ATOM 801 O CYS A 66 0.578 9.293 -5.003 1.00 0.00 O ATOM 802 CB CYS A 66 2.312 8.489 -2.111 1.00 0.00 C ATOM 803 SG CYS A 66 3.443 9.743 -1.406 1.00 0.00 S ATOM 0 H CYS A 66 0.105 8.425 -0.936 1.00 0.00 H new ATOM 0 HA CYS A 66 1.308 10.219 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.043 7.759 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.813 7.944 -2.911 1.00 0.00 H new ATOM 0 HG CYS A 66 4.509 9.157 -0.948 1.00 0.00 H new ATOM 808 N ALA A 67 0.316 7.294 -3.980 1.00 0.00 N ATOM 809 CA ALA A 67 -0.107 6.606 -5.186 1.00 0.00 C ATOM 810 C ALA A 67 -1.252 7.385 -5.837 1.00 0.00 C ATOM 811 O ALA A 67 -1.309 7.503 -7.061 1.00 0.00 O ATOM 812 CB ALA A 67 -0.502 5.168 -4.844 1.00 0.00 C ATOM 0 H ALA A 67 0.352 6.708 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 67 0.711 6.557 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.819 4.653 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.353 4.649 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.322 5.177 -4.126 1.00 0.00 H new ATOM 818 N ARG A 68 -2.133 7.897 -4.991 1.00 0.00 N ATOM 819 CA ARG A 68 -3.272 8.661 -5.469 1.00 0.00 C ATOM 820 C ARG A 68 -2.802 9.958 -6.131 1.00 0.00 C ATOM 821 O ARG A 68 -3.105 10.211 -7.295 1.00 0.00 O ATOM 822 CB ARG A 68 -4.228 8.999 -4.323 1.00 0.00 C ATOM 823 CG ARG A 68 -5.598 8.350 -4.542 1.00 0.00 C ATOM 824 CD ARG A 68 -6.591 9.355 -5.131 1.00 0.00 C ATOM 825 NE ARG A 68 -7.389 8.709 -6.198 1.00 0.00 N ATOM 826 CZ ARG A 68 -6.920 8.437 -7.434 1.00 0.00 C ATOM 827 NH1 ARG A 68 -5.653 8.753 -7.772 1.00 0.00 N ATOM 828 NH2 ARG A 68 -7.722 7.857 -8.309 1.00 0.00 N ATOM 0 H ARG A 68 -2.081 7.798 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.800 8.047 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.806 8.655 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.342 10.080 -4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.497 7.497 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.979 7.968 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.250 9.729 -4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.056 10.214 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.353 8.454 -5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.040 9.201 -7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.308 8.543 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.679 7.622 -8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.384 7.644 -9.248 1.00 0.00 H new