USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 563 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 Set 1.1: A 70 GLN : amide:sc= -3.08! C(o=-3!,f=-6.4!) USER MOD Set 1.2: A 74 THR OG1 : rot 115:sc= 0.0784 USER MOD Single : A 6 GLN : amide:sc= -0.0563 K(o=-0.056,f=-1.2) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.089) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= 0.101 (180deg=-0.042) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.00653 X(o=0.0065,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.368 K(o=-0.37,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 11.099 0.176 -17.227 1.00 1.00 N ATOM 47 CA GLU A 4 10.335 1.322 -16.749 1.00 1.00 C ATOM 48 C GLU A 4 9.088 1.526 -17.604 1.00 1.00 C ATOM 49 O GLU A 4 8.005 1.797 -17.084 1.00 1.00 O ATOM 50 CB GLU A 4 11.200 2.583 -16.794 1.00 1.00 C ATOM 51 CG GLU A 4 12.357 2.445 -15.801 1.00 1.00 C ATOM 52 CD GLU A 4 11.824 2.496 -14.373 1.00 1.00 C ATOM 53 OE1 GLU A 4 11.027 3.374 -14.089 1.00 1.00 O ATOM 54 OE2 GLU A 4 12.223 1.654 -13.584 1.00 1.00 O ATOM 0 HA GLU A 4 10.030 1.129 -15.720 1.00 1.00 H new ATOM 0 HB2 GLU A 4 11.588 2.735 -17.801 1.00 1.00 H new ATOM 0 HB3 GLU A 4 10.599 3.458 -16.548 1.00 1.00 H new ATOM 0 HG2 GLU A 4 12.882 1.505 -15.969 1.00 1.00 H new ATOM 0 HG3 GLU A 4 13.080 3.246 -15.958 1.00 1.00 H new ATOM 61 N LEU A 5 9.249 1.394 -18.916 1.00 1.00 N ATOM 62 CA LEU A 5 8.129 1.564 -19.833 1.00 1.00 C ATOM 63 C LEU A 5 7.175 0.377 -19.737 1.00 1.00 C ATOM 64 O LEU A 5 5.957 0.549 -19.706 1.00 1.00 O ATOM 65 CB LEU A 5 8.642 1.695 -21.269 1.00 1.00 C ATOM 66 CG LEU A 5 9.544 2.926 -21.379 1.00 1.00 C ATOM 67 CD1 LEU A 5 10.654 2.656 -22.395 1.00 1.00 C ATOM 68 CD2 LEU A 5 8.713 4.125 -21.840 1.00 1.00 C ATOM 0 H LEU A 5 10.137 1.172 -19.365 1.00 1.00 H new ATOM 0 HA LEU A 5 7.592 2.472 -19.557 1.00 1.00 H new ATOM 0 HB2 LEU A 5 9.195 0.799 -21.552 1.00 1.00 H new ATOM 0 HB3 LEU A 5 7.803 1.783 -21.959 1.00 1.00 H new ATOM 0 HG LEU A 5 9.986 3.141 -20.406 1.00 1.00 H new ATOM 0 HD11 LEU A 5 11.297 3.533 -22.473 1.00 1.00 H new ATOM 0 HD12 LEU A 5 11.246 1.801 -22.069 1.00 1.00 H new ATOM 0 HD13 LEU A 5 10.212 2.442 -23.368 1.00 1.00 H new ATOM 0 HD21 LEU A 5 9.354 5.003 -21.919 1.00 1.00 H new ATOM 0 HD22 LEU A 5 8.272 3.909 -22.813 1.00 1.00 H new ATOM 0 HD23 LEU A 5 7.921 4.318 -21.117 1.00 1.00 H new ATOM 80 N GLN A 6 7.739 -0.825 -19.688 1.00 1.00 N ATOM 81 CA GLN A 6 6.929 -2.034 -19.594 1.00 1.00 C ATOM 82 C GLN A 6 6.100 -2.020 -18.313 1.00 1.00 C ATOM 83 O GLN A 6 4.978 -2.524 -18.282 1.00 1.00 O ATOM 84 CB GLN A 6 7.830 -3.269 -19.608 1.00 1.00 C ATOM 85 CG GLN A 6 8.181 -3.630 -21.053 1.00 1.00 C ATOM 86 CD GLN A 6 7.076 -4.488 -21.659 1.00 1.00 C ATOM 87 OE1 GLN A 6 6.033 -3.969 -22.056 1.00 1.00 O ATOM 88 NE2 GLN A 6 7.242 -5.780 -21.754 1.00 1.00 N ATOM 0 H GLN A 6 8.746 -0.988 -19.712 1.00 1.00 H new ATOM 0 HA GLN A 6 6.256 -2.068 -20.451 1.00 1.00 H new ATOM 0 HB2 GLN A 6 8.740 -3.075 -19.040 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.325 -4.106 -19.126 1.00 1.00 H new ATOM 0 HG2 GLN A 6 8.312 -2.722 -21.642 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.128 -4.168 -21.082 1.00 1.00 H new ATOM 0 HE21 GLN A 6 8.107 -6.209 -21.425 1.00 1.00 H new ATOM 0 HE22 GLN A 6 6.507 -6.360 -22.158 1.00 1.00 H new ATOM 97 N CYS A 7 6.663 -1.436 -17.259 1.00 1.00 N ATOM 98 CA CYS A 7 5.968 -1.358 -15.979 1.00 1.00 C ATOM 99 C CYS A 7 4.580 -0.754 -16.159 1.00 1.00 C ATOM 100 O CYS A 7 3.588 -1.297 -15.674 1.00 1.00 O ATOM 101 CB CYS A 7 6.775 -0.501 -15.001 1.00 1.00 C ATOM 102 SG CYS A 7 6.864 -1.335 -13.397 1.00 1.00 S ATOM 0 H CYS A 7 7.591 -1.013 -17.266 1.00 1.00 H new ATOM 0 HA CYS A 7 5.864 -2.367 -15.580 1.00 1.00 H new ATOM 0 HB2 CYS A 7 7.779 -0.333 -15.391 1.00 1.00 H new ATOM 0 HB3 CYS A 7 6.309 0.478 -14.888 1.00 1.00 H new ATOM 0 HG CYS A 7 7.552 -0.608 -12.567 1.00 1.00 H new ATOM 107 N ILE A 8 4.518 0.373 -16.860 1.00 1.00 N ATOM 108 CA ILE A 8 3.247 1.046 -17.100 1.00 1.00 C ATOM 109 C ILE A 8 2.358 0.206 -18.012 1.00 1.00 C ATOM 110 O ILE A 8 1.158 0.074 -17.775 1.00 1.00 O ATOM 111 CB ILE A 8 3.494 2.413 -17.738 1.00 1.00 C ATOM 112 CG1 ILE A 8 4.350 3.267 -16.801 1.00 1.00 C ATOM 113 CG2 ILE A 8 2.155 3.113 -17.983 1.00 1.00 C ATOM 114 CD1 ILE A 8 4.869 4.493 -17.554 1.00 1.00 C ATOM 0 H ILE A 8 5.328 0.838 -17.270 1.00 1.00 H new ATOM 0 HA ILE A 8 2.741 1.179 -16.144 1.00 1.00 H new ATOM 0 HB ILE A 8 4.014 2.281 -18.687 1.00 1.00 H new ATOM 0 HG12 ILE A 8 3.761 3.580 -15.939 1.00 1.00 H new ATOM 0 HG13 ILE A 8 5.186 2.681 -16.421 1.00 1.00 H new ATOM 0 HG21 ILE A 8 2.332 4.088 -18.438 1.00 1.00 H new ATOM 0 HG22 ILE A 8 1.544 2.506 -18.651 1.00 1.00 H new ATOM 0 HG23 ILE A 8 1.634 3.244 -17.035 1.00 1.00 H new ATOM 0 HD11 ILE A 8 5.479 5.100 -16.885 1.00 1.00 H new ATOM 0 HD12 ILE A 8 5.473 4.170 -18.402 1.00 1.00 H new ATOM 0 HD13 ILE A 8 4.026 5.084 -17.913 1.00 1.00 H new ATOM 126 N ARG A 9 2.955 -0.357 -19.057 1.00 1.00 N ATOM 127 CA ARG A 9 2.206 -1.183 -19.999 1.00 1.00 C ATOM 128 C ARG A 9 1.664 -2.427 -19.303 1.00 1.00 C ATOM 129 O ARG A 9 0.596 -2.931 -19.651 1.00 1.00 O ATOM 130 CB ARG A 9 3.108 -1.599 -21.163 1.00 1.00 C ATOM 131 CG ARG A 9 3.629 -0.351 -21.881 1.00 1.00 C ATOM 132 CD ARG A 9 2.803 -0.108 -23.146 1.00 1.00 C ATOM 133 NE ARG A 9 3.092 1.215 -23.688 1.00 1.00 N ATOM 134 CZ ARG A 9 2.510 2.302 -23.194 1.00 1.00 C ATOM 135 NH1 ARG A 9 1.658 2.196 -22.212 1.00 1.00 N ATOM 136 NH2 ARG A 9 2.792 3.476 -23.691 1.00 1.00 N ATOM 0 H ARG A 9 3.947 -0.258 -19.273 1.00 1.00 H new ATOM 0 HA ARG A 9 1.369 -0.599 -20.381 1.00 1.00 H new ATOM 0 HB2 ARG A 9 3.943 -2.194 -20.794 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.553 -2.227 -21.860 1.00 1.00 H new ATOM 0 HG2 ARG A 9 3.566 0.514 -21.221 1.00 1.00 H new ATOM 0 HG3 ARG A 9 4.680 -0.479 -22.139 1.00 1.00 H new ATOM 0 HD2 ARG A 9 3.030 -0.872 -23.890 1.00 1.00 H new ATOM 0 HD3 ARG A 9 1.741 -0.192 -22.917 1.00 1.00 H new ATOM 0 HE ARG A 9 3.753 1.307 -24.460 1.00 1.00 H new ATOM 0 HH11 ARG A 9 1.439 1.279 -21.824 1.00 1.00 H new ATOM 0 HH12 ARG A 9 1.211 3.031 -21.832 1.00 1.00 H new ATOM 0 HH21 ARG A 9 3.459 3.558 -24.458 1.00 1.00 H new ATOM 0 HH22 ARG A 9 2.345 4.311 -23.312 1.00 1.00 H new ATOM 150 N GLU A 10 2.410 -2.917 -18.320 1.00 1.00 N ATOM 151 CA GLU A 10 2.003 -4.106 -17.579 1.00 1.00 C ATOM 152 C GLU A 10 0.816 -3.800 -16.671 1.00 1.00 C ATOM 153 O GLU A 10 -0.051 -4.649 -16.462 1.00 1.00 O ATOM 154 CB GLU A 10 3.172 -4.622 -16.737 1.00 1.00 C ATOM 155 CG GLU A 10 4.007 -5.601 -17.565 1.00 1.00 C ATOM 156 CD GLU A 10 5.202 -6.085 -16.752 1.00 1.00 C ATOM 157 OE1 GLU A 10 6.219 -5.412 -16.770 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.083 -7.125 -16.124 1.00 1.00 O ATOM 0 H GLU A 10 3.296 -2.512 -18.018 1.00 1.00 H new ATOM 0 HA GLU A 10 1.705 -4.870 -18.297 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.792 -3.788 -16.407 1.00 1.00 H new ATOM 0 HB3 GLU A 10 2.798 -5.115 -15.840 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.394 -6.450 -17.866 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.351 -5.116 -18.479 1.00 1.00 H new ATOM 165 N CYS A 11 0.785 -2.588 -16.126 1.00 1.00 N ATOM 166 CA CYS A 11 -0.301 -2.189 -15.236 1.00 1.00 C ATOM 167 C CYS A 11 -1.488 -1.654 -16.034 1.00 1.00 C ATOM 168 O CYS A 11 -2.642 -1.866 -15.662 1.00 1.00 O ATOM 169 CB CYS A 11 0.189 -1.114 -14.262 1.00 1.00 C ATOM 170 SG CYS A 11 0.257 -1.801 -12.588 1.00 1.00 S ATOM 0 H CYS A 11 1.493 -1.870 -16.283 1.00 1.00 H new ATOM 0 HA CYS A 11 -0.624 -3.067 -14.677 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.175 -0.759 -14.561 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.480 -0.254 -14.287 1.00 1.00 H new ATOM 0 HG CYS A 11 0.675 -0.889 -11.761 1.00 1.00 H new ATOM 175 N ARG A 12 -1.196 -0.959 -17.128 1.00 1.00 N ATOM 176 CA ARG A 12 -2.252 -0.400 -17.967 1.00 1.00 C ATOM 177 C ARG A 12 -3.184 -1.501 -18.463 1.00 1.00 C ATOM 178 O ARG A 12 -4.389 -1.294 -18.593 1.00 1.00 O ATOM 179 CB ARG A 12 -1.638 0.325 -19.168 1.00 1.00 C ATOM 180 CG ARG A 12 -1.525 1.824 -18.869 1.00 1.00 C ATOM 181 CD ARG A 12 -2.870 2.500 -19.141 1.00 1.00 C ATOM 182 NE ARG A 12 -3.062 3.622 -18.228 1.00 1.00 N ATOM 183 CZ ARG A 12 -2.416 4.770 -18.406 1.00 1.00 C ATOM 184 NH1 ARG A 12 -1.593 4.907 -19.409 1.00 1.00 N ATOM 185 NH2 ARG A 12 -2.605 5.761 -17.577 1.00 1.00 N ATOM 0 H ARG A 12 -0.248 -0.770 -17.453 1.00 1.00 H new ATOM 0 HA ARG A 12 -2.827 0.307 -17.368 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -0.653 -0.086 -19.388 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -2.254 0.167 -20.053 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -1.232 1.978 -17.830 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -0.748 2.272 -19.489 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -2.908 2.850 -20.173 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -3.679 1.780 -19.019 1.00 1.00 H new ATOM 0 HE ARG A 12 -3.702 3.524 -17.440 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -1.445 4.133 -20.057 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -1.097 5.788 -19.545 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -3.248 5.654 -16.793 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -2.109 6.642 -17.714 1.00 1.00 H new ATOM 199 N LEU A 13 -2.615 -2.669 -18.739 1.00 1.00 N ATOM 200 CA LEU A 13 -3.405 -3.797 -19.221 1.00 1.00 C ATOM 201 C LEU A 13 -4.402 -4.244 -18.157 1.00 1.00 C ATOM 202 O LEU A 13 -5.584 -4.437 -18.443 1.00 1.00 O ATOM 203 CB LEU A 13 -2.481 -4.965 -19.583 1.00 1.00 C ATOM 204 CG LEU A 13 -2.285 -5.033 -21.103 1.00 1.00 C ATOM 205 CD1 LEU A 13 -3.597 -5.441 -21.783 1.00 1.00 C ATOM 206 CD2 LEU A 13 -1.847 -3.663 -21.626 1.00 1.00 C ATOM 0 H LEU A 13 -1.618 -2.859 -18.639 1.00 1.00 H new ATOM 0 HA LEU A 13 -3.954 -3.481 -20.108 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.517 -4.842 -19.090 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -2.907 -5.901 -19.222 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.518 -5.774 -21.329 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.449 -5.487 -22.862 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -3.907 -6.420 -21.417 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -4.369 -4.707 -21.554 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -1.708 -3.713 -22.706 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -2.612 -2.923 -21.392 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -0.908 -3.376 -21.153 1.00 1.00 H new ATOM 218 N ALA A 14 -3.918 -4.407 -16.931 1.00 1.00 N ATOM 219 CA ALA A 14 -4.777 -4.831 -15.832 1.00 1.00 C ATOM 220 C ALA A 14 -5.820 -3.760 -15.526 1.00 1.00 C ATOM 221 O ALA A 14 -6.926 -4.066 -15.082 1.00 1.00 O ATOM 222 CB ALA A 14 -3.936 -5.099 -14.584 1.00 1.00 C ATOM 0 H ALA A 14 -2.943 -4.253 -16.674 1.00 1.00 H new ATOM 0 HA ALA A 14 -5.288 -5.747 -16.127 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.586 -5.415 -13.768 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -3.211 -5.885 -14.796 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -3.410 -4.188 -14.297 1.00 1.00 H new ATOM 228 N GLN A 15 -5.457 -2.505 -15.767 1.00 1.00 N ATOM 229 CA GLN A 15 -6.368 -1.394 -15.515 1.00 1.00 C ATOM 230 C GLN A 15 -7.409 -1.292 -16.624 1.00 1.00 C ATOM 231 O GLN A 15 -8.612 -1.290 -16.362 1.00 1.00 O ATOM 232 CB GLN A 15 -5.582 -0.085 -15.429 1.00 1.00 C ATOM 233 CG GLN A 15 -4.814 -0.036 -14.106 1.00 1.00 C ATOM 234 CD GLN A 15 -5.759 0.330 -12.967 1.00 1.00 C ATOM 235 OE1 GLN A 15 -6.198 1.475 -12.868 1.00 1.00 O ATOM 236 NE2 GLN A 15 -6.098 -0.581 -12.096 1.00 1.00 N ATOM 0 H GLN A 15 -4.545 -2.232 -16.134 1.00 1.00 H new ATOM 0 HA GLN A 15 -6.879 -1.575 -14.569 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -4.889 -0.009 -16.267 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.261 0.765 -15.499 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -4.351 -1.003 -13.909 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -4.009 0.696 -14.171 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -5.732 -1.529 -12.181 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -6.729 -0.345 -11.330 1.00 1.00 H new ATOM 598 N ALA A 45 6.588 -9.912 -5.807 1.00 1.00 N ATOM 599 CA ALA A 45 8.030 -10.127 -5.822 1.00 1.00 C ATOM 600 C ALA A 45 8.763 -8.988 -5.116 1.00 1.00 C ATOM 601 O ALA A 45 9.821 -9.199 -4.521 1.00 1.00 O ATOM 602 CB ALA A 45 8.525 -10.236 -7.264 1.00 1.00 C ATOM 0 HA ALA A 45 8.239 -11.055 -5.290 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.603 -10.397 -7.267 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.032 -11.074 -7.756 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.294 -9.315 -7.799 1.00 1.00 H new ATOM 608 N ILE A 46 8.203 -7.782 -5.191 1.00 1.00 N ATOM 609 CA ILE A 46 8.824 -6.619 -4.561 1.00 1.00 C ATOM 610 C ILE A 46 8.062 -6.200 -3.306 1.00 1.00 C ATOM 611 O ILE A 46 8.630 -5.589 -2.402 1.00 1.00 O ATOM 612 CB ILE A 46 8.859 -5.451 -5.547 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.479 -5.287 -6.190 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.896 -5.732 -6.635 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.453 -4.004 -7.022 1.00 1.00 C ATOM 0 H ILE A 46 7.328 -7.586 -5.677 1.00 1.00 H new ATOM 0 HA ILE A 46 9.840 -6.892 -4.275 1.00 1.00 H new ATOM 0 HB ILE A 46 9.127 -4.536 -5.018 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.256 -6.147 -6.821 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.709 -5.249 -5.419 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.921 -4.899 -7.338 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.879 -5.851 -6.179 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.629 -6.646 -7.165 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.471 -3.887 -7.480 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.657 -3.149 -6.378 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.212 -4.061 -7.802 1.00 1.00 H new ATOM 627 N ALA A 47 6.778 -6.526 -3.255 1.00 1.00 N ATOM 628 CA ALA A 47 5.958 -6.171 -2.102 1.00 1.00 C ATOM 629 C ALA A 47 6.434 -6.909 -0.853 1.00 1.00 C ATOM 630 O ALA A 47 6.217 -6.453 0.269 1.00 1.00 O ATOM 631 CB ALA A 47 4.494 -6.518 -2.375 1.00 1.00 C ATOM 0 H ALA A 47 6.284 -7.031 -3.991 1.00 1.00 H new ATOM 0 HA ALA A 47 6.052 -5.098 -1.932 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.889 -6.250 -1.509 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.145 -5.964 -3.247 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.403 -7.588 -2.564 1.00 1.00 H new ATOM 637 N ASN A 48 7.080 -8.052 -1.056 1.00 1.00 N ATOM 638 CA ASN A 48 7.581 -8.846 0.060 1.00 1.00 C ATOM 639 C ASN A 48 8.936 -8.325 0.511 1.00 1.00 C ATOM 640 O ASN A 48 9.420 -8.662 1.592 1.00 1.00 O ATOM 641 CB ASN A 48 7.705 -10.312 -0.355 1.00 1.00 C ATOM 642 CG ASN A 48 6.762 -11.172 0.481 1.00 1.00 C ATOM 643 OD1 ASN A 48 6.829 -11.152 1.710 1.00 1.00 O ATOM 644 ND2 ASN A 48 5.880 -11.926 -0.117 1.00 1.00 N ATOM 0 H ASN A 48 7.268 -8.448 -1.977 1.00 1.00 H new ATOM 0 HA ASN A 48 6.877 -8.766 0.888 1.00 1.00 H new ATOM 0 HB2 ASN A 48 7.467 -10.420 -1.413 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.733 -10.650 -0.223 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.243 -12.501 0.434 1.00 1.00 H new ATOM 0 HD22 ASN A 48 5.828 -11.940 -1.136 1.00 1.00 H new ATOM 651 N PHE A 49 9.549 -7.508 -0.335 1.00 1.00 N ATOM 652 CA PHE A 49 10.856 -6.948 -0.033 1.00 1.00 C ATOM 653 C PHE A 49 10.732 -5.736 0.888 1.00 1.00 C ATOM 654 O PHE A 49 11.683 -4.974 1.061 1.00 1.00 O ATOM 655 CB PHE A 49 11.551 -6.550 -1.333 1.00 1.00 C ATOM 656 CG PHE A 49 12.470 -7.665 -1.770 1.00 1.00 C ATOM 657 CD1 PHE A 49 11.933 -8.901 -2.147 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.855 -7.466 -1.799 1.00 1.00 C ATOM 659 CE1 PHE A 49 12.782 -9.938 -2.553 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.704 -8.502 -2.204 1.00 1.00 C ATOM 661 CZ PHE A 49 14.168 -9.739 -2.582 1.00 1.00 C ATOM 0 H PHE A 49 9.162 -7.220 -1.234 1.00 1.00 H new ATOM 0 HA PHE A 49 11.449 -7.704 0.482 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.811 -6.349 -2.107 1.00 1.00 H new ATOM 0 HB3 PHE A 49 12.119 -5.631 -1.188 1.00 1.00 H new ATOM 0 HD1 PHE A 49 10.864 -9.055 -2.125 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.269 -6.512 -1.508 1.00 1.00 H new ATOM 0 HE1 PHE A 49 12.368 -10.892 -2.844 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.773 -8.347 -2.225 1.00 1.00 H new ATOM 0 HZ PHE A 49 14.823 -10.539 -2.896 1.00 1.00 H new ATOM 671 N LEU A 50 9.557 -5.580 1.491 1.00 1.00 N ATOM 672 CA LEU A 50 9.310 -4.474 2.412 1.00 1.00 C ATOM 673 C LEU A 50 8.673 -5.015 3.692 1.00 1.00 C ATOM 674 O LEU A 50 7.483 -5.332 3.717 1.00 1.00 O ATOM 675 CB LEU A 50 8.377 -3.436 1.767 1.00 1.00 C ATOM 676 CG LEU A 50 9.143 -2.570 0.751 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.492 -2.703 -0.627 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.091 -1.099 1.183 1.00 1.00 C ATOM 0 H LEU A 50 8.761 -6.205 1.359 1.00 1.00 H new ATOM 0 HA LEU A 50 10.258 -3.990 2.648 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.550 -3.943 1.269 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.943 -2.801 2.539 1.00 1.00 H new ATOM 0 HG LEU A 50 10.179 -2.905 0.707 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.035 -2.090 -1.346 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.521 -3.745 -0.944 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.456 -2.369 -0.574 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.634 -0.489 0.462 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.053 -0.770 1.228 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.549 -0.992 2.166 1.00 1.00 H new ATOM 690 N GLU A 51 9.479 -5.138 4.743 1.00 1.00 N ATOM 691 CA GLU A 51 8.996 -5.666 6.017 1.00 1.00 C ATOM 692 C GLU A 51 7.641 -5.047 6.395 1.00 1.00 C ATOM 693 O GLU A 51 7.362 -3.907 6.028 1.00 1.00 O ATOM 694 CB GLU A 51 10.018 -5.366 7.115 1.00 1.00 C ATOM 695 CG GLU A 51 11.280 -6.198 6.878 1.00 1.00 C ATOM 696 CD GLU A 51 11.343 -7.351 7.873 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.517 -8.243 7.770 1.00 1.00 O ATOM 698 OE2 GLU A 51 12.220 -7.329 8.720 1.00 1.00 O ATOM 0 H GLU A 51 10.466 -4.881 4.739 1.00 1.00 H new ATOM 0 HA GLU A 51 8.865 -6.743 5.914 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.265 -4.304 7.117 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.596 -5.597 8.093 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.283 -6.586 5.859 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.164 -5.569 6.982 1.00 1.00 H new ATOM 705 N PRO A 52 6.797 -5.762 7.120 1.00 1.00 N ATOM 706 CA PRO A 52 5.466 -5.229 7.533 1.00 1.00 C ATOM 707 C PRO A 52 5.572 -3.874 8.233 1.00 1.00 C ATOM 708 O PRO A 52 4.925 -2.907 7.828 1.00 1.00 O ATOM 709 CB PRO A 52 4.902 -6.268 8.506 1.00 1.00 C ATOM 710 CG PRO A 52 5.759 -7.487 8.407 1.00 1.00 C ATOM 711 CD PRO A 52 7.014 -7.137 7.606 1.00 1.00 C ATOM 0 HA PRO A 52 4.832 -5.069 6.661 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.903 -5.880 9.525 1.00 1.00 H new ATOM 0 HB3 PRO A 52 3.868 -6.505 8.257 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.031 -7.840 9.402 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.213 -8.295 7.920 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.907 -7.197 8.228 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.156 -7.829 6.776 1.00 1.00 H new ATOM 719 N GLN A 53 6.383 -3.810 9.283 1.00 1.00 N ATOM 720 CA GLN A 53 6.551 -2.566 10.028 1.00 1.00 C ATOM 721 C GLN A 53 7.103 -1.479 9.117 1.00 1.00 C ATOM 722 O GLN A 53 6.595 -0.358 9.089 1.00 1.00 O ATOM 723 CB GLN A 53 7.506 -2.785 11.204 1.00 1.00 C ATOM 724 CG GLN A 53 6.849 -3.711 12.230 1.00 1.00 C ATOM 725 CD GLN A 53 7.814 -3.982 13.379 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.317 -5.097 13.519 1.00 1.00 O ATOM 727 NE2 GLN A 53 8.102 -3.024 14.217 1.00 1.00 N ATOM 0 H GLN A 53 6.930 -4.596 9.636 1.00 1.00 H new ATOM 0 HA GLN A 53 5.579 -2.252 10.408 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.441 -3.221 10.851 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.755 -1.830 11.667 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.935 -3.255 12.611 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.563 -4.649 11.755 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.684 -2.101 14.099 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.745 -3.198 14.990 1.00 1.00 H new ATOM 736 N ALA A 54 8.140 -1.822 8.363 1.00 1.00 N ATOM 737 CA ALA A 54 8.747 -0.873 7.442 1.00 1.00 C ATOM 738 C ALA A 54 7.720 -0.423 6.411 1.00 1.00 C ATOM 739 O ALA A 54 7.786 0.693 5.893 1.00 1.00 O ATOM 740 CB ALA A 54 9.934 -1.523 6.731 1.00 1.00 C ATOM 0 H ALA A 54 8.575 -2.745 8.371 1.00 1.00 H new ATOM 0 HA ALA A 54 9.096 -0.007 8.005 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.383 -0.806 6.043 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.675 -1.832 7.468 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.591 -2.395 6.174 1.00 1.00 H new ATOM 746 N LEU A 55 6.772 -1.306 6.119 1.00 1.00 N ATOM 747 CA LEU A 55 5.730 -0.997 5.144 1.00 1.00 C ATOM 748 C LEU A 55 4.900 0.194 5.610 1.00 1.00 C ATOM 749 O LEU A 55 4.554 1.069 4.816 1.00 1.00 O ATOM 750 CB LEU A 55 4.820 -2.211 4.942 1.00 1.00 C ATOM 751 CG LEU A 55 4.699 -2.512 3.445 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.794 -3.728 3.237 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.096 -1.301 2.728 1.00 1.00 C ATOM 0 H LEU A 55 6.702 -2.233 6.538 1.00 1.00 H new ATOM 0 HA LEU A 55 6.208 -0.745 4.197 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.227 -3.076 5.466 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.835 -2.016 5.366 1.00 1.00 H new ATOM 0 HG LEU A 55 5.688 -2.722 3.038 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.709 -3.940 2.171 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.222 -4.591 3.746 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.805 -3.520 3.645 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.010 -1.515 1.663 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.108 -1.091 3.137 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.741 -0.434 2.873 1.00 1.00 H new ATOM 765 N GLU A 56 4.586 0.222 6.901 1.00 1.00 N ATOM 766 CA GLU A 56 3.798 1.315 7.459 1.00 1.00 C ATOM 767 C GLU A 56 4.525 2.642 7.270 1.00 1.00 C ATOM 768 O GLU A 56 3.902 3.674 7.022 1.00 1.00 O ATOM 769 CB GLU A 56 3.546 1.072 8.947 1.00 1.00 C ATOM 770 CG GLU A 56 2.166 1.609 9.328 1.00 1.00 C ATOM 771 CD GLU A 56 2.005 3.040 8.825 1.00 1.00 C ATOM 772 OE1 GLU A 56 2.509 3.936 9.481 1.00 1.00 O ATOM 773 OE2 GLU A 56 1.381 3.218 7.792 1.00 1.00 O ATOM 0 H GLU A 56 4.862 -0.492 7.575 1.00 1.00 H new ATOM 0 HA GLU A 56 2.843 1.358 6.936 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.606 0.006 9.167 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.316 1.564 9.542 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.389 0.975 8.900 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.041 1.579 10.410 1.00 1.00 H new ATOM 780 N ARG A 57 5.848 2.606 7.389 1.00 1.00 N ATOM 781 CA ARG A 57 6.655 3.809 7.230 1.00 1.00 C ATOM 782 C ARG A 57 6.444 4.417 5.847 1.00 1.00 C ATOM 783 O ARG A 57 6.224 5.621 5.717 1.00 1.00 O ATOM 784 CB ARG A 57 8.136 3.471 7.421 1.00 1.00 C ATOM 785 CG ARG A 57 8.651 4.134 8.700 1.00 1.00 C ATOM 786 CD ARG A 57 8.649 5.655 8.528 1.00 1.00 C ATOM 787 NE ARG A 57 7.832 6.278 9.562 1.00 1.00 N ATOM 788 CZ ARG A 57 8.333 6.558 10.762 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.577 6.270 11.031 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.582 7.120 11.668 1.00 1.00 N ATOM 0 H ARG A 57 6.381 1.761 7.594 1.00 1.00 H new ATOM 0 HA ARG A 57 6.347 4.534 7.983 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.268 2.391 7.480 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.712 3.816 6.563 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.023 3.853 9.545 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.659 3.785 8.922 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.669 6.036 8.582 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.263 5.916 7.543 1.00 1.00 H new ATOM 0 HE ARG A 57 6.858 6.504 9.362 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.164 5.831 10.322 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.963 6.484 11.951 1.00 1.00 H new ATOM 0 HH21 ARG A 57 6.610 7.345 11.457 1.00 1.00 H new ATOM 0 HH22 ARG A 57 7.967 7.334 12.588 1.00 1.00 H new ATOM 804 N LEU A 58 6.511 3.576 4.821 1.00 1.00 N ATOM 805 CA LEU A 58 6.327 4.037 3.446 1.00 1.00 C ATOM 806 C LEU A 58 4.982 4.744 3.300 1.00 1.00 C ATOM 807 O LEU A 58 4.874 5.812 2.699 1.00 1.00 O ATOM 808 CB LEU A 58 6.361 2.839 2.503 1.00 1.00 C ATOM 809 CG LEU A 58 6.905 3.247 1.130 1.00 1.00 C ATOM 810 CD1 LEU A 58 6.133 4.450 0.578 1.00 1.00 C ATOM 811 CD2 LEU A 58 8.395 3.598 1.228 1.00 1.00 C ATOM 0 H LEU A 58 6.690 2.576 4.912 1.00 1.00 H new ATOM 0 HA LEU A 58 7.128 4.734 3.198 1.00 1.00 H new ATOM 0 HB2 LEU A 58 6.985 2.053 2.928 1.00 1.00 H new ATOM 0 HB3 LEU A 58 5.358 2.426 2.395 1.00 1.00 H new ATOM 0 HG LEU A 58 6.778 2.403 0.453 1.00 1.00 H new ATOM 0 HD11 LEU A 58 6.535 4.724 -0.398 1.00 1.00 H new ATOM 0 HD12 LEU A 58 5.079 4.191 0.476 1.00 1.00 H new ATOM 0 HD13 LEU A 58 6.235 5.293 1.262 1.00 1.00 H new ATOM 0 HD21 LEU A 58 8.766 3.886 0.244 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.529 4.427 1.923 1.00 1.00 H new ATOM 0 HD23 LEU A 58 8.950 2.731 1.586 1.00 1.00 H new ATOM 823 N SER A 59 3.951 4.128 3.838 1.00 1.00 N ATOM 824 CA SER A 59 2.619 4.710 3.762 1.00 1.00 C ATOM 825 C SER A 59 2.574 6.017 4.551 1.00 1.00 C ATOM 826 O SER A 59 1.924 6.980 4.144 1.00 1.00 O ATOM 827 CB SER A 59 1.588 3.732 4.325 1.00 1.00 C ATOM 828 OG SER A 59 0.578 3.503 3.351 1.00 1.00 O ATOM 0 H SER A 59 4.003 3.235 4.328 1.00 1.00 H new ATOM 0 HA SER A 59 2.384 4.915 2.718 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.070 2.792 4.594 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.146 4.136 5.236 1.00 1.00 H new ATOM 0 HG SER A 59 -0.084 2.875 3.708 1.00 1.00 H new ATOM 834 N ARG A 60 3.264 6.037 5.691 1.00 1.00 N ATOM 835 CA ARG A 60 3.298 7.221 6.547 1.00 1.00 C ATOM 836 C ARG A 60 4.039 8.389 5.890 1.00 1.00 C ATOM 837 O ARG A 60 3.565 9.525 5.920 1.00 1.00 O ATOM 838 CB ARG A 60 3.981 6.878 7.873 1.00 1.00 C ATOM 839 CG ARG A 60 3.535 7.868 8.950 1.00 1.00 C ATOM 840 CD ARG A 60 2.360 7.279 9.730 1.00 1.00 C ATOM 841 NE ARG A 60 1.871 8.240 10.712 1.00 1.00 N ATOM 842 CZ ARG A 60 1.063 9.234 10.356 1.00 1.00 C ATOM 843 NH1 ARG A 60 0.695 9.362 9.111 1.00 1.00 N ATOM 844 NH2 ARG A 60 0.639 10.082 11.253 1.00 1.00 N ATOM 0 H ARG A 60 3.806 5.248 6.042 1.00 1.00 H new ATOM 0 HA ARG A 60 2.266 7.530 6.716 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.727 5.861 8.172 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.064 6.915 7.756 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.362 8.083 9.626 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.244 8.813 8.492 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.557 7.010 9.043 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.671 6.363 10.232 1.00 1.00 H new ATOM 0 HE ARG A 60 2.153 8.148 11.688 1.00 1.00 H new ATOM 0 HH11 ARG A 60 1.027 8.699 8.410 1.00 1.00 H new ATOM 0 HH12 ARG A 60 0.075 10.125 8.838 1.00 1.00 H new ATOM 0 HH21 ARG A 60 0.928 9.982 12.226 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.019 10.845 10.981 1.00 1.00 H new ATOM 858 N VAL A 61 5.208 8.113 5.313 1.00 1.00 N ATOM 859 CA VAL A 61 5.999 9.167 4.676 1.00 1.00 C ATOM 860 C VAL A 61 5.311 9.678 3.412 1.00 1.00 C ATOM 861 O VAL A 61 5.263 10.883 3.165 1.00 1.00 O ATOM 862 CB VAL A 61 7.399 8.646 4.328 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.283 7.484 3.357 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.220 9.765 3.686 1.00 1.00 C ATOM 0 H VAL A 61 5.624 7.183 5.273 1.00 1.00 H new ATOM 0 HA VAL A 61 6.088 9.993 5.382 1.00 1.00 H new ATOM 0 HB VAL A 61 7.894 8.311 5.239 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.279 7.115 3.111 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.702 6.683 3.815 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.785 7.819 2.447 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.214 9.392 3.440 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.724 10.104 2.776 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.308 10.598 4.383 1.00 1.00 H new ATOM 874 N ALA A 62 4.791 8.755 2.613 1.00 1.00 N ATOM 875 CA ALA A 62 4.119 9.122 1.369 1.00 1.00 C ATOM 876 C ALA A 62 3.086 10.222 1.601 1.00 1.00 C ATOM 877 O ALA A 62 2.893 11.091 0.752 1.00 1.00 O ATOM 878 CB ALA A 62 3.433 7.895 0.768 1.00 1.00 C ATOM 0 H ALA A 62 4.820 7.753 2.800 1.00 1.00 H new ATOM 0 HA ALA A 62 4.872 9.499 0.678 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.934 8.175 -0.159 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.178 7.126 0.561 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.698 7.507 1.473 1.00 1.00 H new ATOM 884 N LEU A 63 2.414 10.170 2.745 1.00 1.00 N ATOM 885 CA LEU A 63 1.389 11.159 3.066 1.00 1.00 C ATOM 886 C LEU A 63 1.993 12.550 3.255 1.00 1.00 C ATOM 887 O LEU A 63 1.293 13.556 3.137 1.00 1.00 O ATOM 888 CB LEU A 63 0.658 10.753 4.346 1.00 1.00 C ATOM 889 CG LEU A 63 -0.311 9.610 4.041 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.490 8.745 5.290 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.666 10.187 3.624 1.00 1.00 C ATOM 0 H LEU A 63 2.558 9.459 3.462 1.00 1.00 H new ATOM 0 HA LEU A 63 0.691 11.196 2.230 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.376 10.442 5.104 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.114 11.606 4.753 1.00 1.00 H new ATOM 0 HG LEU A 63 0.091 9.001 3.231 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.181 7.930 5.072 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.474 8.333 5.589 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.891 9.354 6.100 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.357 9.372 3.407 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.067 10.796 4.434 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.541 10.804 2.734 1.00 1.00 H new ATOM 903 N VAL A 64 3.285 12.601 3.564 1.00 1.00 N ATOM 904 CA VAL A 64 3.952 13.882 3.784 1.00 1.00 C ATOM 905 C VAL A 64 4.785 14.300 2.574 1.00 1.00 C ATOM 906 O VAL A 64 4.702 15.442 2.122 1.00 1.00 O ATOM 907 CB VAL A 64 4.851 13.789 5.018 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.799 15.109 5.787 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.361 12.657 5.923 1.00 1.00 C ATOM 0 H VAL A 64 3.885 11.783 3.667 1.00 1.00 H new ATOM 0 HA VAL A 64 3.182 14.638 3.939 1.00 1.00 H new ATOM 0 HB VAL A 64 5.876 13.588 4.705 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.439 15.043 6.667 1.00 1.00 H new ATOM 0 HG12 VAL A 64 5.147 15.918 5.145 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.774 15.308 6.099 1.00 1.00 H new ATOM 0 HG21 VAL A 64 5.002 12.591 6.802 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.336 12.858 6.235 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.395 11.714 5.377 1.00 1.00 H new ATOM 919 N ARG A 65 5.590 13.378 2.056 1.00 1.00 N ATOM 920 CA ARG A 65 6.434 13.681 0.900 1.00 1.00 C ATOM 921 C ARG A 65 6.486 12.512 -0.074 1.00 1.00 C ATOM 922 O ARG A 65 7.437 11.729 -0.073 1.00 1.00 O ATOM 923 CB ARG A 65 7.857 14.033 1.342 1.00 1.00 C ATOM 924 CG ARG A 65 8.367 13.029 2.385 1.00 1.00 C ATOM 925 CD ARG A 65 8.820 13.784 3.635 1.00 1.00 C ATOM 926 NE ARG A 65 9.322 12.849 4.637 1.00 1.00 N ATOM 927 CZ ARG A 65 9.589 13.244 5.876 1.00 1.00 C ATOM 928 NH1 ARG A 65 9.396 14.489 6.220 1.00 1.00 N ATOM 929 NH2 ARG A 65 10.043 12.389 6.751 1.00 1.00 N ATOM 0 H ARG A 65 5.678 12.426 2.411 1.00 1.00 H new ATOM 0 HA ARG A 65 5.989 14.538 0.395 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.521 14.035 0.478 1.00 1.00 H new ATOM 0 HB3 ARG A 65 7.874 15.039 1.760 1.00 1.00 H new ATOM 0 HG2 ARG A 65 7.579 12.320 2.640 1.00 1.00 H new ATOM 0 HG3 ARG A 65 9.195 12.451 1.975 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.599 14.500 3.373 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.987 14.355 4.045 1.00 1.00 H new ATOM 0 HE ARG A 65 9.471 11.873 4.380 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.040 15.158 5.537 1.00 1.00 H new ATOM 0 HH12 ARG A 65 9.601 14.793 7.172 1.00 1.00 H new ATOM 0 HH21 ARG A 65 10.193 11.416 6.483 1.00 1.00 H new ATOM 0 HH22 ARG A 65 10.248 12.693 7.703 1.00 1.00 H new ATOM 943 N ARG A 66 5.463 12.408 -0.910 1.00 1.00 N ATOM 944 CA ARG A 66 5.396 11.344 -1.902 1.00 1.00 C ATOM 945 C ARG A 66 6.577 11.415 -2.870 1.00 1.00 C ATOM 946 O ARG A 66 7.027 10.392 -3.386 1.00 1.00 O ATOM 947 CB ARG A 66 4.087 11.444 -2.689 1.00 1.00 C ATOM 948 CG ARG A 66 3.760 10.082 -3.306 1.00 1.00 C ATOM 949 CD ARG A 66 2.471 10.185 -4.123 1.00 1.00 C ATOM 950 NE ARG A 66 2.404 9.100 -5.096 1.00 1.00 N ATOM 951 CZ ARG A 66 2.108 7.860 -4.720 1.00 1.00 C ATOM 952 NH1 ARG A 66 1.860 7.597 -3.466 1.00 1.00 N ATOM 953 NH2 ARG A 66 2.066 6.902 -5.607 1.00 1.00 N ATOM 0 H ARG A 66 4.668 13.047 -0.921 1.00 1.00 H new ATOM 0 HA ARG A 66 5.437 10.391 -1.375 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.278 11.761 -2.031 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.177 12.198 -3.471 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.581 9.754 -3.943 1.00 1.00 H new ATOM 0 HG3 ARG A 66 3.646 9.334 -2.521 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.607 10.143 -3.460 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.432 11.146 -4.636 1.00 1.00 H new ATOM 0 HE ARG A 66 2.587 9.296 -6.080 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.893 8.344 -2.772 1.00 1.00 H new ATOM 0 HH12 ARG A 66 1.633 6.645 -3.180 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.260 7.106 -6.587 1.00 1.00 H new ATOM 0 HH22 ARG A 66 1.839 5.950 -5.319 1.00 1.00 H new ATOM 967 N ASP A 67 7.056 12.628 -3.134 1.00 1.00 N ATOM 968 CA ASP A 67 8.164 12.810 -4.070 1.00 1.00 C ATOM 969 C ASP A 67 9.401 12.036 -3.626 1.00 1.00 C ATOM 970 O ASP A 67 10.019 11.331 -4.418 1.00 1.00 O ATOM 971 CB ASP A 67 8.506 14.297 -4.174 1.00 1.00 C ATOM 972 CG ASP A 67 7.979 15.035 -2.949 1.00 1.00 C ATOM 973 OD1 ASP A 67 8.366 14.669 -1.851 1.00 1.00 O ATOM 974 OD2 ASP A 67 7.188 15.948 -3.123 1.00 1.00 O ATOM 0 H ASP A 67 6.701 13.490 -2.720 1.00 1.00 H new ATOM 0 HA ASP A 67 7.853 12.427 -5.042 1.00 1.00 H new ATOM 0 HB2 ASP A 67 9.585 14.427 -4.252 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.069 14.718 -5.079 1.00 1.00 H new ATOM 979 N ARG A 68 9.758 12.163 -2.359 1.00 1.00 N ATOM 980 CA ARG A 68 10.918 11.458 -1.839 1.00 1.00 C ATOM 981 C ARG A 68 10.616 9.967 -1.698 1.00 1.00 C ATOM 982 O ARG A 68 11.475 9.118 -1.941 1.00 1.00 O ATOM 983 CB ARG A 68 11.315 12.050 -0.489 1.00 1.00 C ATOM 984 CG ARG A 68 11.361 13.578 -0.599 1.00 1.00 C ATOM 985 CD ARG A 68 11.736 14.183 0.755 1.00 1.00 C ATOM 986 NE ARG A 68 11.625 15.637 0.708 1.00 1.00 N ATOM 987 CZ ARG A 68 12.458 16.371 -0.022 1.00 1.00 C ATOM 988 NH1 ARG A 68 13.396 15.792 -0.722 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.336 17.670 -0.044 1.00 1.00 N ATOM 0 H ARG A 68 9.267 12.741 -1.677 1.00 1.00 H new ATOM 0 HA ARG A 68 11.747 11.574 -2.537 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.599 11.751 0.277 1.00 1.00 H new ATOM 0 HB3 ARG A 68 12.288 11.667 -0.183 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.088 13.876 -1.355 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.392 13.958 -0.922 1.00 1.00 H new ATOM 0 HD2 ARG A 68 11.082 13.786 1.532 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.754 13.898 1.019 1.00 1.00 H new ATOM 0 HE ARG A 68 10.893 16.100 1.247 1.00 1.00 H new ATOM 0 HH11 ARG A 68 13.489 14.776 -0.708 1.00 1.00 H new ATOM 0 HH12 ARG A 68 14.035 16.355 -1.282 1.00 1.00 H new ATOM 0 HH21 ARG A 68 11.601 18.122 0.499 1.00 1.00 H new ATOM 0 HH22 ARG A 68 12.976 18.233 -0.605 1.00 1.00 H new ATOM 1003 N ALA A 69 9.386 9.666 -1.295 1.00 1.00 N ATOM 1004 CA ALA A 69 8.955 8.283 -1.106 1.00 1.00 C ATOM 1005 C ALA A 69 9.045 7.482 -2.402 1.00 1.00 C ATOM 1006 O ALA A 69 9.328 6.283 -2.381 1.00 1.00 O ATOM 1007 CB ALA A 69 7.509 8.264 -0.613 1.00 1.00 C ATOM 0 H ALA A 69 8.668 10.362 -1.092 1.00 1.00 H new ATOM 0 HA ALA A 69 9.618 7.825 -0.372 1.00 1.00 H new ATOM 0 HB1 ALA A 69 7.186 7.233 -0.472 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.441 8.799 0.334 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.867 8.747 -1.350 1.00 1.00 H new ATOM 1013 N GLN A 70 8.790 8.141 -3.526 1.00 1.00 N ATOM 1014 CA GLN A 70 8.833 7.464 -4.817 1.00 1.00 C ATOM 1015 C GLN A 70 10.273 7.164 -5.222 1.00 1.00 C ATOM 1016 O GLN A 70 10.548 6.146 -5.856 1.00 1.00 O ATOM 1017 CB GLN A 70 8.110 8.293 -5.890 1.00 1.00 C ATOM 1018 CG GLN A 70 9.079 9.233 -6.607 1.00 1.00 C ATOM 1019 CD GLN A 70 9.795 8.494 -7.733 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.617 7.287 -7.899 1.00 1.00 O ATOM 1021 NE2 GLN A 70 10.596 9.153 -8.525 1.00 1.00 N ATOM 0 H GLN A 70 8.554 9.132 -3.571 1.00 1.00 H new ATOM 0 HA GLN A 70 8.310 6.512 -4.724 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.642 7.626 -6.615 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.311 8.873 -5.428 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.536 10.088 -7.011 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.808 9.625 -5.898 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.742 10.153 -8.386 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.076 8.668 -9.283 1.00 1.00 H new ATOM 1030 N ALA A 71 11.192 8.044 -4.841 1.00 1.00 N ATOM 1031 CA ALA A 71 12.596 7.839 -5.164 1.00 1.00 C ATOM 1032 C ALA A 71 13.125 6.612 -4.426 1.00 1.00 C ATOM 1033 O ALA A 71 14.027 5.927 -4.907 1.00 1.00 O ATOM 1034 CB ALA A 71 13.412 9.074 -4.775 1.00 1.00 C ATOM 0 H ALA A 71 10.993 8.895 -4.315 1.00 1.00 H new ATOM 0 HA ALA A 71 12.691 7.678 -6.238 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.461 8.909 -5.021 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.043 9.941 -5.322 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.314 9.252 -3.704 1.00 1.00 H new ATOM 1040 N VAL A 72 12.550 6.338 -3.254 1.00 1.00 N ATOM 1041 CA VAL A 72 12.964 5.184 -2.460 1.00 1.00 C ATOM 1042 C VAL A 72 12.530 3.888 -3.134 1.00 1.00 C ATOM 1043 O VAL A 72 13.318 2.956 -3.286 1.00 1.00 O ATOM 1044 CB VAL A 72 12.334 5.250 -1.067 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.864 4.101 -0.210 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.692 6.582 -0.403 1.00 1.00 C ATOM 0 H VAL A 72 11.803 6.895 -2.838 1.00 1.00 H new ATOM 0 HA VAL A 72 14.051 5.203 -2.376 1.00 1.00 H new ATOM 0 HB VAL A 72 11.251 5.168 -1.159 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.414 4.149 0.782 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.609 3.150 -0.678 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.947 4.183 -0.122 1.00 1.00 H new ATOM 0 HG21 VAL A 72 12.242 6.627 0.589 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.775 6.665 -0.314 1.00 1.00 H new ATOM 0 HG23 VAL A 72 12.314 7.404 -1.010 1.00 1.00 H new ATOM 1056 N GLU A 73 11.268 3.841 -3.530 1.00 1.00 N ATOM 1057 CA GLU A 73 10.726 2.655 -4.185 1.00 1.00 C ATOM 1058 C GLU A 73 11.504 2.358 -5.465 1.00 1.00 C ATOM 1059 O GLU A 73 11.686 1.198 -5.839 1.00 1.00 O ATOM 1060 CB GLU A 73 9.228 2.851 -4.482 1.00 1.00 C ATOM 1061 CG GLU A 73 8.997 3.209 -5.957 1.00 1.00 C ATOM 1062 CD GLU A 73 7.554 3.659 -6.156 1.00 1.00 C ATOM 1063 OE1 GLU A 73 7.058 4.381 -5.307 1.00 1.00 O ATOM 1064 OE2 GLU A 73 6.968 3.279 -7.156 1.00 1.00 O ATOM 0 H GLU A 73 10.601 4.604 -3.412 1.00 1.00 H new ATOM 0 HA GLU A 73 10.832 1.800 -3.517 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.684 1.939 -4.237 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.829 3.641 -3.846 1.00 1.00 H new ATOM 0 HG2 GLU A 73 9.681 4.002 -6.260 1.00 1.00 H new ATOM 0 HG3 GLU A 73 9.210 2.346 -6.588 1.00 1.00 H new ATOM 1071 N THR A 74 11.961 3.414 -6.130 1.00 1.00 N ATOM 1072 CA THR A 74 12.716 3.261 -7.367 1.00 1.00 C ATOM 1073 C THR A 74 14.117 2.730 -7.083 1.00 1.00 C ATOM 1074 O THR A 74 14.719 2.064 -7.927 1.00 1.00 O ATOM 1075 CB THR A 74 12.816 4.606 -8.090 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.560 4.920 -8.675 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.884 4.524 -9.182 1.00 1.00 C ATOM 0 H THR A 74 11.822 4.380 -5.834 1.00 1.00 H new ATOM 0 HA THR A 74 12.192 2.545 -8.000 1.00 1.00 H new ATOM 0 HB THR A 74 13.090 5.383 -7.377 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.187 5.716 -8.242 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.954 5.483 -9.696 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.847 4.283 -8.732 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.614 3.748 -9.898 1.00 1.00 H new ATOM 1085 N TYR A 75 14.636 3.027 -5.896 1.00 1.00 N ATOM 1086 CA TYR A 75 15.969 2.569 -5.527 1.00 1.00 C ATOM 1087 C TYR A 75 15.996 1.047 -5.413 1.00 1.00 C ATOM 1088 O TYR A 75 16.872 0.387 -5.971 1.00 1.00 O ATOM 1089 CB TYR A 75 16.380 3.191 -4.191 1.00 1.00 C ATOM 1090 CG TYR A 75 17.721 2.645 -3.773 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.805 1.390 -3.159 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.883 3.390 -4.005 1.00 1.00 C ATOM 1093 CE1 TYR A 75 19.052 0.881 -2.774 1.00 1.00 C ATOM 1094 CE2 TYR A 75 20.129 2.881 -3.621 1.00 1.00 C ATOM 1095 CZ TYR A 75 20.214 1.626 -3.006 1.00 1.00 C ATOM 1096 OH TYR A 75 21.443 1.125 -2.628 1.00 1.00 O ATOM 0 H TYR A 75 14.160 3.577 -5.181 1.00 1.00 H new ATOM 0 HA TYR A 75 16.671 2.877 -6.302 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.430 4.276 -4.283 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.632 2.970 -3.430 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.909 0.814 -2.982 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.818 4.358 -4.480 1.00 1.00 H new ATOM 0 HE1 TYR A 75 19.117 -0.086 -2.298 1.00 1.00 H new ATOM 0 HE2 TYR A 75 21.025 3.457 -3.799 1.00 1.00 H new ATOM 0 HH TYR A 75 22.145 1.768 -2.863 1.00 1.00 H new ATOM 1106 N LEU A 76 15.027 0.500 -4.688 1.00 1.00 N ATOM 1107 CA LEU A 76 14.938 -0.945 -4.504 1.00 1.00 C ATOM 1108 C LEU A 76 14.631 -1.649 -5.824 1.00 1.00 C ATOM 1109 O LEU A 76 15.199 -2.698 -6.123 1.00 1.00 O ATOM 1110 CB LEU A 76 13.833 -1.271 -3.499 1.00 1.00 C ATOM 1111 CG LEU A 76 13.940 -2.742 -3.075 1.00 1.00 C ATOM 1112 CD1 LEU A 76 15.201 -2.965 -2.231 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.710 -3.134 -2.252 1.00 1.00 C ATOM 0 H LEU A 76 14.294 1.032 -4.219 1.00 1.00 H new ATOM 0 HA LEU A 76 15.900 -1.297 -4.133 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.919 -0.623 -2.626 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.856 -1.080 -3.943 1.00 1.00 H new ATOM 0 HG LEU A 76 13.996 -3.358 -3.972 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.262 -4.013 -1.938 1.00 1.00 H new ATOM 0 HD12 LEU A 76 16.082 -2.699 -2.816 1.00 1.00 H new ATOM 0 HD13 LEU A 76 15.156 -2.341 -1.338 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.790 -4.179 -1.953 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.652 -2.506 -1.363 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.811 -2.996 -2.853 1.00 1.00 H new ATOM 1125 N LYS A 77 13.723 -1.070 -6.606 1.00 1.00 N ATOM 1126 CA LYS A 77 13.346 -1.657 -7.881 1.00 1.00 C ATOM 1127 C LYS A 77 14.572 -1.803 -8.777 1.00 1.00 C ATOM 1128 O LYS A 77 14.713 -2.796 -9.491 1.00 1.00 O ATOM 1129 CB LYS A 77 12.275 -0.776 -8.545 1.00 1.00 C ATOM 1130 CG LYS A 77 12.500 -0.695 -10.056 1.00 1.00 C ATOM 1131 CD LYS A 77 11.267 -0.077 -10.724 1.00 1.00 C ATOM 1132 CE LYS A 77 11.100 1.374 -10.273 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.230 2.098 -11.242 1.00 1.00 N ATOM 0 H LYS A 77 13.240 -0.201 -6.378 1.00 1.00 H new ATOM 0 HA LYS A 77 12.932 -2.652 -7.721 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.285 -1.184 -8.341 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.303 0.225 -8.114 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.383 -0.093 -10.271 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.686 -1.690 -10.461 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.371 -0.120 -11.808 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.377 -0.651 -10.466 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.660 1.408 -9.277 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.073 1.860 -10.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.331 3.123 -11.100 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.513 1.853 -12.212 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.238 1.823 -11.091 1.00 1.00 H new ATOM 1147 N LYS A 78 15.454 -0.813 -8.737 1.00 1.00 N ATOM 1148 CA LYS A 78 16.661 -0.850 -9.553 1.00 1.00 C ATOM 1149 C LYS A 78 17.563 -2.002 -9.122 1.00 1.00 C ATOM 1150 O LYS A 78 18.138 -2.697 -9.958 1.00 1.00 O ATOM 1151 CB LYS A 78 17.419 0.472 -9.420 1.00 1.00 C ATOM 1152 CG LYS A 78 18.714 0.404 -10.234 1.00 1.00 C ATOM 1153 CD LYS A 78 19.329 1.799 -10.334 1.00 1.00 C ATOM 1154 CE LYS A 78 18.863 2.475 -11.624 1.00 1.00 C ATOM 1155 NZ LYS A 78 19.290 3.901 -11.622 1.00 1.00 N ATOM 0 H LYS A 78 15.358 0.019 -8.154 1.00 1.00 H new ATOM 0 HA LYS A 78 16.371 -1.000 -10.593 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.799 1.296 -9.773 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.646 0.669 -8.372 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.417 -0.282 -9.761 1.00 1.00 H new ATOM 0 HG3 LYS A 78 18.509 0.013 -11.231 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.037 2.399 -9.472 1.00 1.00 H new ATOM 0 HD3 LYS A 78 20.417 1.730 -10.321 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.283 1.960 -12.488 1.00 1.00 H new ATOM 0 HE3 LYS A 78 17.778 2.410 -11.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 18.973 4.360 -12.500 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.869 4.388 -10.805 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 20.327 3.953 -11.560 1.00 1.00 H new ATOM 1169 N LEU A 79 17.677 -2.200 -7.813 1.00 1.00 N ATOM 1170 CA LEU A 79 18.509 -3.277 -7.285 1.00 1.00 C ATOM 1171 C LEU A 79 17.893 -4.639 -7.598 1.00 1.00 C ATOM 1172 O LEU A 79 18.578 -5.548 -8.068 1.00 1.00 O ATOM 1173 CB LEU A 79 18.669 -3.120 -5.769 1.00 1.00 C ATOM 1174 CG LEU A 79 19.961 -2.359 -5.450 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.891 -0.947 -6.034 1.00 1.00 C ATOM 1176 CD2 LEU A 79 20.131 -2.269 -3.931 1.00 1.00 C ATOM 0 H LEU A 79 17.209 -1.636 -7.104 1.00 1.00 H new ATOM 0 HA LEU A 79 19.488 -3.219 -7.761 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.812 -2.585 -5.359 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.689 -4.101 -5.294 1.00 1.00 H new ATOM 0 HG LEU A 79 20.808 -2.888 -5.888 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.812 -0.412 -5.804 1.00 1.00 H new ATOM 0 HD12 LEU A 79 19.766 -1.006 -7.115 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.044 -0.415 -5.600 1.00 1.00 H new ATOM 0 HD21 LEU A 79 21.049 -1.729 -3.699 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.280 -1.741 -3.500 1.00 1.00 H new ATOM 0 HD23 LEU A 79 20.185 -3.273 -3.511 1.00 1.00 H new ATOM 1188 N ILE A 80 16.596 -4.775 -7.332 1.00 1.00 N ATOM 1189 CA ILE A 80 15.899 -6.032 -7.589 1.00 1.00 C ATOM 1190 C ILE A 80 15.769 -6.292 -9.088 1.00 1.00 C ATOM 1191 O ILE A 80 15.989 -7.410 -9.555 1.00 1.00 O ATOM 1192 CB ILE A 80 14.509 -6.003 -6.953 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.648 -6.089 -5.429 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.691 -7.194 -7.463 1.00 1.00 C ATOM 1195 CD1 ILE A 80 13.293 -5.827 -4.763 1.00 1.00 C ATOM 0 H ILE A 80 16.011 -4.037 -6.942 1.00 1.00 H new ATOM 0 HA ILE A 80 16.486 -6.837 -7.147 1.00 1.00 H new ATOM 0 HB ILE A 80 14.002 -5.076 -7.220 1.00 1.00 H new ATOM 0 HG12 ILE A 80 15.018 -7.074 -5.144 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.380 -5.361 -5.081 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.700 -7.175 -7.010 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.596 -7.133 -8.547 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.194 -8.123 -7.195 1.00 1.00 H new ATOM 0 HD11 ILE A 80 13.401 -5.890 -3.680 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.940 -4.832 -5.035 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.572 -6.572 -5.099 1.00 1.00 H new ATOM 1207 N ALA A 81 15.399 -5.255 -9.833 1.00 1.00 N ATOM 1208 CA ALA A 81 15.230 -5.383 -11.277 1.00 1.00 C ATOM 1209 C ALA A 81 16.558 -5.694 -11.957 1.00 1.00 C ATOM 1210 O ALA A 81 16.593 -6.342 -13.003 1.00 1.00 O ATOM 1211 CB ALA A 81 14.654 -4.089 -11.853 1.00 1.00 C ATOM 0 H ALA A 81 15.211 -4.323 -9.464 1.00 1.00 H new ATOM 0 HA ALA A 81 14.541 -6.207 -11.465 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.531 -4.194 -12.931 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.686 -3.886 -11.395 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.334 -3.263 -11.644 1.00 1.00 H new ATOM 1306 N LYS A 88 15.709 -6.586 0.591 1.00 1.00 N ATOM 1307 CA LYS A 88 14.565 -6.595 1.496 1.00 1.00 C ATOM 1308 C LYS A 88 14.542 -5.311 2.318 1.00 1.00 C ATOM 1309 O LYS A 88 14.941 -5.300 3.483 1.00 1.00 O ATOM 1310 CB LYS A 88 14.643 -7.804 2.430 1.00 1.00 C ATOM 1311 CG LYS A 88 14.198 -9.059 1.679 1.00 1.00 C ATOM 1312 CD LYS A 88 15.018 -10.258 2.157 1.00 1.00 C ATOM 1313 CE LYS A 88 14.870 -10.405 3.673 1.00 1.00 C ATOM 1314 NZ LYS A 88 14.760 -11.849 4.025 1.00 1.00 N ATOM 0 HA LYS A 88 13.651 -6.660 0.906 1.00 1.00 H new ATOM 0 HB2 LYS A 88 15.662 -7.929 2.796 1.00 1.00 H new ATOM 0 HB3 LYS A 88 14.008 -7.645 3.302 1.00 1.00 H new ATOM 0 HG2 LYS A 88 13.137 -9.240 1.849 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.330 -8.919 0.606 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.679 -11.166 1.658 1.00 1.00 H new ATOM 0 HD3 LYS A 88 16.067 -10.122 1.895 1.00 1.00 H new ATOM 0 HE2 LYS A 88 15.728 -9.961 4.177 1.00 1.00 H new ATOM 0 HE3 LYS A 88 13.986 -9.868 4.016 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 14.659 -11.948 5.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 13.928 -12.259 3.555 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 15.616 -12.349 3.711 1.00 1.00 H new ATOM 1328 N ILE A 89 14.086 -4.228 1.698 1.00 1.00 N ATOM 1329 CA ILE A 89 14.029 -2.940 2.377 1.00 1.00 C ATOM 1330 C ILE A 89 13.476 -3.095 3.789 1.00 1.00 C ATOM 1331 O ILE A 89 12.634 -3.952 4.051 1.00 1.00 O ATOM 1332 CB ILE A 89 13.172 -1.953 1.557 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.109 -0.961 0.852 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.192 -1.186 2.465 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.304 -0.003 -0.032 1.00 1.00 C ATOM 0 H ILE A 89 13.753 -4.216 0.734 1.00 1.00 H new ATOM 0 HA ILE A 89 15.040 -2.542 2.459 1.00 1.00 H new ATOM 0 HB ILE A 89 12.587 -2.510 0.825 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.674 -0.395 1.593 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.834 -1.504 0.245 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.600 -0.497 1.862 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.529 -1.893 2.964 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.752 -0.624 3.213 1.00 1.00 H new ATOM 0 HD11 ILE A 89 13.982 0.694 -0.525 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.760 -0.573 -0.785 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.597 0.553 0.584 1.00 1.00 H new ATOM 1347 N THR A 90 13.952 -2.240 4.688 1.00 1.00 N ATOM 1348 CA THR A 90 13.504 -2.257 6.072 1.00 1.00 C ATOM 1349 C THR A 90 13.102 -0.849 6.503 1.00 1.00 C ATOM 1350 O THR A 90 13.286 0.113 5.759 1.00 1.00 O ATOM 1351 CB THR A 90 14.623 -2.773 6.982 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.668 -1.810 7.036 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.169 -4.088 6.425 1.00 1.00 C ATOM 0 H THR A 90 14.650 -1.526 4.480 1.00 1.00 H new ATOM 0 HA THR A 90 12.643 -2.920 6.155 1.00 1.00 H new ATOM 0 HB THR A 90 14.229 -2.941 7.984 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.384 -2.137 7.619 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.965 -4.455 7.073 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.368 -4.826 6.382 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.564 -3.922 5.423 1.00 1.00 H new ATOM 1361 N GLU A 91 12.552 -0.734 7.706 1.00 1.00 N ATOM 1362 CA GLU A 91 12.128 0.563 8.222 1.00 1.00 C ATOM 1363 C GLU A 91 13.297 1.543 8.220 1.00 1.00 C ATOM 1364 O GLU A 91 13.111 2.754 8.082 1.00 1.00 O ATOM 1365 CB GLU A 91 11.593 0.406 9.647 1.00 1.00 C ATOM 1366 CG GLU A 91 12.759 0.156 10.606 1.00 1.00 C ATOM 1367 CD GLU A 91 12.285 -0.656 11.807 1.00 1.00 C ATOM 1368 OE1 GLU A 91 11.121 -0.542 12.153 1.00 1.00 O ATOM 1369 OE2 GLU A 91 13.095 -1.379 12.363 1.00 1.00 O ATOM 0 H GLU A 91 12.390 -1.517 8.339 1.00 1.00 H new ATOM 0 HA GLU A 91 11.339 0.953 7.579 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.050 1.303 9.944 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.887 -0.423 9.692 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.557 -0.377 10.089 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.175 1.106 10.941 1.00 1.00 H new ATOM 1376 N ALA A 92 14.498 1.006 8.381 1.00 1.00 N ATOM 1377 CA ALA A 92 15.702 1.829 8.407 1.00 1.00 C ATOM 1378 C ALA A 92 16.122 2.214 6.996 1.00 1.00 C ATOM 1379 O ALA A 92 16.594 3.325 6.762 1.00 1.00 O ATOM 1380 CB ALA A 92 16.839 1.067 9.091 1.00 1.00 C ATOM 0 H ALA A 92 14.666 0.006 8.495 1.00 1.00 H new ATOM 0 HA ALA A 92 15.484 2.739 8.967 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.735 1.688 9.107 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.549 0.822 10.113 1.00 1.00 H new ATOM 0 HB3 ALA A 92 17.044 0.148 8.541 1.00 1.00 H new ATOM 1386 N GLU A 93 15.951 1.289 6.058 1.00 1.00 N ATOM 1387 CA GLU A 93 16.320 1.551 4.674 1.00 1.00 C ATOM 1388 C GLU A 93 15.459 2.671 4.102 1.00 1.00 C ATOM 1389 O GLU A 93 15.958 3.556 3.407 1.00 1.00 O ATOM 1390 CB GLU A 93 16.136 0.291 3.829 1.00 1.00 C ATOM 1391 CG GLU A 93 16.992 -0.846 4.395 1.00 1.00 C ATOM 1392 CD GLU A 93 18.366 -0.845 3.732 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.915 0.229 3.555 1.00 1.00 O ATOM 1394 OE2 GLU A 93 18.848 -1.918 3.413 1.00 1.00 O ATOM 0 H GLU A 93 15.563 0.361 6.229 1.00 1.00 H new ATOM 0 HA GLU A 93 17.367 1.852 4.649 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.086 -0.002 3.821 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.419 0.491 2.796 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.099 -0.729 5.473 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.498 -1.803 4.226 1.00 1.00 H new ATOM 1401 N ILE A 94 14.162 2.628 4.399 1.00 1.00 N ATOM 1402 CA ILE A 94 13.251 3.651 3.905 1.00 1.00 C ATOM 1403 C ILE A 94 13.635 5.009 4.476 1.00 1.00 C ATOM 1404 O ILE A 94 13.723 5.999 3.750 1.00 1.00 O ATOM 1405 CB ILE A 94 11.815 3.310 4.306 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.236 2.305 3.309 1.00 1.00 C ATOM 1407 CG2 ILE A 94 10.964 4.582 4.297 1.00 1.00 C ATOM 1408 CD1 ILE A 94 9.939 1.718 3.870 1.00 1.00 C ATOM 0 H ILE A 94 13.725 1.905 4.971 1.00 1.00 H new ATOM 0 HA ILE A 94 13.319 3.688 2.818 1.00 1.00 H new ATOM 0 HB ILE A 94 11.810 2.878 5.307 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.043 2.794 2.354 1.00 1.00 H new ATOM 0 HG13 ILE A 94 11.956 1.509 3.120 1.00 1.00 H new ATOM 0 HG21 ILE A 94 9.941 4.337 4.583 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.377 5.301 5.005 1.00 1.00 H new ATOM 0 HG23 ILE A 94 10.967 5.015 3.297 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.526 1.002 3.159 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.146 1.214 4.814 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.219 2.519 4.037 1.00 1.00 H new ATOM 1420 N VAL A 95 13.881 5.037 5.779 1.00 1.00 N ATOM 1421 CA VAL A 95 14.280 6.267 6.447 1.00 1.00 C ATOM 1422 C VAL A 95 15.674 6.686 5.990 1.00 1.00 C ATOM 1423 O VAL A 95 15.949 7.870 5.797 1.00 1.00 O ATOM 1424 CB VAL A 95 14.271 6.066 7.965 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.220 7.070 8.628 1.00 1.00 C ATOM 1426 CG2 VAL A 95 12.853 6.287 8.497 1.00 1.00 C ATOM 0 H VAL A 95 13.811 4.225 6.392 1.00 1.00 H new ATOM 0 HA VAL A 95 13.571 7.053 6.186 1.00 1.00 H new ATOM 0 HB VAL A 95 14.599 5.052 8.195 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.209 6.922 9.708 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.231 6.918 8.251 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.895 8.085 8.397 1.00 1.00 H new ATOM 0 HG21 VAL A 95 12.843 6.145 9.578 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.530 7.301 8.262 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.174 5.573 8.031 1.00 1.00 H new ATOM 1436 N SER A 96 16.555 5.700 5.845 1.00 1.00 N ATOM 1437 CA SER A 96 17.933 5.966 5.434 1.00 1.00 C ATOM 1438 C SER A 96 17.988 6.505 4.012 1.00 1.00 C ATOM 1439 O SER A 96 18.678 7.487 3.737 1.00 1.00 O ATOM 1440 CB SER A 96 18.764 4.687 5.527 1.00 1.00 C ATOM 1441 OG SER A 96 20.113 4.980 5.188 1.00 1.00 O ATOM 0 H SER A 96 16.343 4.715 6.004 1.00 1.00 H new ATOM 0 HA SER A 96 18.344 6.720 6.106 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.711 4.277 6.536 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.364 3.929 4.853 1.00 1.00 H new ATOM 0 HG SER A 96 20.650 4.163 5.248 1.00 1.00 H new ATOM 1447 N ILE A 97 17.253 5.866 3.111 1.00 1.00 N ATOM 1448 CA ILE A 97 17.229 6.307 1.725 1.00 1.00 C ATOM 1449 C ILE A 97 16.572 7.680 1.642 1.00 1.00 C ATOM 1450 O ILE A 97 17.054 8.573 0.945 1.00 1.00 O ATOM 1451 CB ILE A 97 16.465 5.298 0.870 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.232 3.973 0.841 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.327 5.831 -0.556 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.274 2.832 0.495 1.00 1.00 C ATOM 0 H ILE A 97 16.673 5.051 3.312 1.00 1.00 H new ATOM 0 HA ILE A 97 18.249 6.377 1.347 1.00 1.00 H new ATOM 0 HB ILE A 97 15.474 5.141 1.296 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.035 4.022 0.106 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.697 3.789 1.809 1.00 1.00 H new ATOM 0 HG21 ILE A 97 15.781 5.109 -1.163 1.00 1.00 H new ATOM 0 HG22 ILE A 97 15.784 6.776 -0.540 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.317 5.989 -0.983 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.822 1.890 0.475 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.486 2.778 1.247 1.00 1.00 H new ATOM 0 HD13 ILE A 97 15.830 3.014 -0.484 1.00 1.00 H new ATOM 1466 N LEU A 98 15.476 7.841 2.376 1.00 1.00 N ATOM 1467 CA LEU A 98 14.759 9.108 2.403 1.00 1.00 C ATOM 1468 C LEU A 98 15.715 10.230 2.802 1.00 1.00 C ATOM 1469 O LEU A 98 15.707 11.309 2.211 1.00 1.00 O ATOM 1470 CB LEU A 98 13.602 9.014 3.409 1.00 1.00 C ATOM 1471 CG LEU A 98 12.964 10.393 3.633 1.00 1.00 C ATOM 1472 CD1 LEU A 98 12.543 10.989 2.291 1.00 1.00 C ATOM 1473 CD2 LEU A 98 11.731 10.257 4.536 1.00 1.00 C ATOM 0 H LEU A 98 15.067 7.111 2.959 1.00 1.00 H new ATOM 0 HA LEU A 98 14.356 9.325 1.414 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.850 8.315 3.042 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.969 8.619 4.357 1.00 1.00 H new ATOM 0 HG LEU A 98 13.693 11.048 4.111 1.00 1.00 H new ATOM 0 HD11 LEU A 98 12.091 11.967 2.453 1.00 1.00 H new ATOM 0 HD12 LEU A 98 13.418 11.096 1.650 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.820 10.330 1.811 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.283 11.239 4.691 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.004 9.597 4.062 1.00 1.00 H new ATOM 0 HD23 LEU A 98 12.028 9.838 5.497 1.00 1.00 H new ATOM 1485 N ASN A 99 16.540 9.957 3.806 1.00 1.00 N ATOM 1486 CA ASN A 99 17.506 10.938 4.282 1.00 1.00 C ATOM 1487 C ASN A 99 18.479 11.314 3.169 1.00 1.00 C ATOM 1488 O ASN A 99 18.946 12.452 3.094 1.00 1.00 O ATOM 1489 CB ASN A 99 18.280 10.366 5.473 1.00 1.00 C ATOM 1490 CG ASN A 99 17.845 11.066 6.757 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.310 12.166 7.053 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.969 10.494 7.537 1.00 1.00 N ATOM 0 H ASN A 99 16.559 9.067 4.304 1.00 1.00 H new ATOM 0 HA ASN A 99 16.969 11.834 4.594 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.101 9.294 5.554 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.351 10.499 5.320 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.669 10.959 8.394 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.585 9.582 7.290 1.00 1.00 H new ATOM 1499 N GLY A 100 18.778 10.351 2.305 1.00 1.00 N ATOM 1500 CA GLY A 100 19.694 10.588 1.194 1.00 1.00 C ATOM 1501 C GLY A 100 19.039 11.461 0.130 1.00 1.00 C ATOM 1502 O GLY A 100 19.665 12.371 -0.415 1.00 1.00 O ATOM 0 H GLY A 100 18.402 9.404 2.351 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.600 11.071 1.560 1.00 1.00 H new ATOM 0 HA3 GLY A 100 19.995 9.637 0.756 1.00 1.00 H new ATOM 1506 N ILE A 101 17.774 11.178 -0.156 1.00 1.00 N ATOM 1507 CA ILE A 101 17.030 11.939 -1.153 1.00 1.00 C ATOM 1508 C ILE A 101 16.630 13.302 -0.595 1.00 1.00 C ATOM 1509 O ILE A 101 16.614 14.299 -1.317 1.00 1.00 O ATOM 1510 CB ILE A 101 15.782 11.157 -1.566 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.184 10.013 -2.504 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.799 12.083 -2.286 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.435 8.742 -2.106 1.00 1.00 C ATOM 0 H ILE A 101 17.242 10.429 0.287 1.00 1.00 H new ATOM 0 HA ILE A 101 17.665 12.096 -2.025 1.00 1.00 H new ATOM 0 HB ILE A 101 15.304 10.751 -0.675 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.953 10.276 -3.536 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.260 9.846 -2.451 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.913 11.518 -2.577 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.509 12.895 -1.619 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.274 12.496 -3.176 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.720 7.928 -2.772 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.689 8.477 -1.080 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.361 8.914 -2.182 1.00 1.00 H new ATOM 1525 N ALA A 102 16.310 13.335 0.694 1.00 1.00 N ATOM 1526 CA ALA A 102 15.912 14.579 1.342 1.00 1.00 C ATOM 1527 C ALA A 102 17.059 15.585 1.324 1.00 1.00 C ATOM 1528 O ALA A 102 16.839 16.794 1.389 1.00 1.00 O ATOM 1529 CB ALA A 102 15.495 14.305 2.787 1.00 1.00 C ATOM 0 H ALA A 102 16.318 12.520 1.307 1.00 1.00 H new ATOM 0 HA ALA A 102 15.068 14.998 0.793 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.199 15.240 3.264 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.655 13.610 2.798 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.333 13.869 3.331 1.00 1.00 H new ATOM 1535 N LYS A 103 18.284 15.076 1.237 1.00 1.00 N ATOM 1536 CA LYS A 103 19.460 15.939 1.212 1.00 1.00 C ATOM 1537 C LYS A 103 19.640 16.562 -0.168 1.00 1.00 C ATOM 1538 O LYS A 103 19.959 17.745 -0.288 1.00 1.00 O ATOM 1539 CB LYS A 103 20.705 15.128 1.575 1.00 1.00 C ATOM 1540 CG LYS A 103 21.897 16.073 1.739 1.00 1.00 C ATOM 1541 CD LYS A 103 23.086 15.301 2.313 1.00 1.00 C ATOM 1542 CE LYS A 103 24.264 16.253 2.514 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.290 16.723 3.928 1.00 1.00 N ATOM 0 H LYS A 103 18.488 14.078 1.183 1.00 1.00 H new ATOM 0 HA LYS A 103 19.319 16.738 1.940 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.536 14.575 2.499 1.00 1.00 H new ATOM 0 HB3 LYS A 103 20.914 14.393 0.797 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.164 16.509 0.776 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.632 16.898 2.400 1.00 1.00 H new ATOM 0 HD2 LYS A 103 22.810 14.841 3.262 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.369 14.493 1.638 1.00 1.00 H new ATOM 0 HE2 LYS A 103 25.199 15.748 2.271 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.176 17.104 1.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.092 17.371 4.064 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 23.403 17.220 4.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 24.393 15.906 4.563 1.00 1.00 H new ATOM 1557 N GLN A 104 19.437 15.759 -1.207 1.00 1.00 N ATOM 1558 CA GLN A 104 19.581 16.245 -2.575 1.00 1.00 C ATOM 1559 C GLN A 104 18.501 17.273 -2.898 1.00 1.00 C ATOM 1560 O GLN A 104 18.803 18.409 -3.266 1.00 1.00 O ATOM 1561 CB GLN A 104 19.485 15.076 -3.557 1.00 1.00 C ATOM 1562 CG GLN A 104 20.845 14.385 -3.663 1.00 1.00 C ATOM 1563 CD GLN A 104 21.769 15.188 -4.573 1.00 1.00 C ATOM 1564 OE1 GLN A 104 21.523 16.368 -4.823 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.824 14.615 -5.086 1.00 1.00 N ATOM 0 H GLN A 104 19.174 14.776 -1.130 1.00 1.00 H new ATOM 0 HA GLN A 104 20.557 16.721 -2.669 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.730 14.366 -3.220 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.171 15.435 -4.537 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.291 14.288 -2.673 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.720 13.376 -4.057 1.00 1.00 H new ATOM 0 HE21 GLN A 104 23.026 13.637 -4.877 1.00 1.00 H new ATOM 0 HE22 GLN A 104 23.447 15.145 -5.696 1.00 1.00 H new