USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 699 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 16 THR OG1 : rot 20:sc= -1.94 USER MOD Set 1.2: A 31 MET CE :methyl -127:sc= -5.47! (180deg=-8.24!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -167:sc= -1.17 (180deg=-1.83) USER MOD Set 2.2: A 15 GLN :FLIP amide:sc= 0.0946 F(o=-2.7,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 154:sc= -0.0715 (180deg=-0.441) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.124 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.66) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 140:sc= -0.0982 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 0.895 (180deg=0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.345 -14.584 7.459 1.00 0.00 N ATOM 2 CA MET A 1 -3.705 -14.913 7.068 1.00 0.00 C ATOM 3 C MET A 1 -3.720 -15.772 5.802 1.00 0.00 C ATOM 4 O MET A 1 -4.133 -15.312 4.739 1.00 0.00 O ATOM 5 CB MET A 1 -4.490 -13.623 6.818 1.00 0.00 C ATOM 6 CG MET A 1 -5.934 -13.757 7.306 1.00 0.00 C ATOM 7 SD MET A 1 -6.120 -12.955 8.890 1.00 0.00 S ATOM 8 CE MET A 1 -7.690 -13.634 9.399 1.00 0.00 C ATOM 0 H1 MET A 1 -2.363 -14.001 8.320 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.816 -15.460 7.645 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.882 -14.055 6.693 1.00 0.00 H new ATOM 0 HA MET A 1 -4.167 -15.481 7.875 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.005 -12.793 7.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.482 -13.389 5.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.614 -13.311 6.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.202 -14.810 7.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.959 -13.235 10.377 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.456 -13.363 8.673 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.615 -14.720 9.459 1.00 0.00 H new ATOM 18 N MET A 2 -3.263 -17.006 5.959 1.00 0.00 N ATOM 19 CA MET A 2 -3.219 -17.935 4.842 1.00 0.00 C ATOM 20 C MET A 2 -2.466 -17.329 3.655 1.00 0.00 C ATOM 21 O MET A 2 -2.161 -16.138 3.652 1.00 0.00 O ATOM 22 CB MET A 2 -4.644 -18.289 4.415 1.00 0.00 C ATOM 23 CG MET A 2 -4.776 -19.787 4.132 1.00 0.00 C ATOM 24 SD MET A 2 -6.235 -20.098 3.152 1.00 0.00 S ATOM 25 CE MET A 2 -7.035 -21.327 4.168 1.00 0.00 C ATOM 0 H MET A 2 -2.920 -17.384 6.842 1.00 0.00 H new ATOM 0 HA MET A 2 -2.693 -18.834 5.162 1.00 0.00 H new ATOM 0 HB2 MET A 2 -5.344 -18.000 5.199 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.912 -17.722 3.523 1.00 0.00 H new ATOM 0 HG2 MET A 2 -3.891 -20.145 3.606 1.00 0.00 H new ATOM 0 HG3 MET A 2 -4.834 -20.339 5.070 1.00 0.00 H new ATOM 0 HE1 MET A 2 -7.970 -21.634 3.699 1.00 0.00 H new ATOM 0 HE2 MET A 2 -6.381 -22.192 4.275 1.00 0.00 H new ATOM 0 HE3 MET A 2 -7.244 -20.906 5.152 1.00 0.00 H new ATOM 35 N VAL A 3 -2.187 -18.178 2.677 1.00 0.00 N ATOM 36 CA VAL A 3 -1.476 -17.742 1.487 1.00 0.00 C ATOM 37 C VAL A 3 -2.428 -16.946 0.592 1.00 0.00 C ATOM 38 O VAL A 3 -3.646 -17.039 0.737 1.00 0.00 O ATOM 39 CB VAL A 3 -0.854 -18.946 0.778 1.00 0.00 C ATOM 40 CG1 VAL A 3 -0.046 -18.506 -0.444 1.00 0.00 C ATOM 41 CG2 VAL A 3 0.009 -19.764 1.740 1.00 0.00 C ATOM 0 H VAL A 3 -2.441 -19.166 2.684 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.653 -17.080 1.755 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.666 -19.585 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.385 -19.381 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.700 -17.988 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.753 -17.835 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.439 -20.614 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.810 -19.138 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.606 -20.124 2.564 1.00 0.00 H new ATOM 51 N PHE A 4 -1.837 -16.182 -0.314 1.00 0.00 N ATOM 52 CA PHE A 4 -2.617 -15.371 -1.233 1.00 0.00 C ATOM 53 C PHE A 4 -2.461 -15.868 -2.672 1.00 0.00 C ATOM 54 O PHE A 4 -1.663 -16.765 -2.939 1.00 0.00 O ATOM 55 CB PHE A 4 -2.076 -13.942 -1.139 1.00 0.00 C ATOM 56 CG PHE A 4 -0.819 -13.696 -1.976 1.00 0.00 C ATOM 57 CD1 PHE A 4 -0.932 -13.305 -3.273 1.00 0.00 C ATOM 58 CD2 PHE A 4 0.411 -13.868 -1.422 1.00 0.00 C ATOM 59 CE1 PHE A 4 0.234 -13.077 -4.050 1.00 0.00 C ATOM 60 CE2 PHE A 4 1.577 -13.640 -2.198 1.00 0.00 C ATOM 61 CZ PHE A 4 1.465 -13.249 -3.496 1.00 0.00 C ATOM 0 H PHE A 4 -0.827 -16.107 -0.432 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.674 -15.425 -0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.854 -13.248 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.855 -13.716 -0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.909 -13.168 -3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.500 -14.178 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.144 -12.767 -5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.554 -13.777 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.352 -13.075 -4.087 1.00 0.00 H new ATOM 71 N ASP A 5 -3.237 -15.264 -3.560 1.00 0.00 N ATOM 72 CA ASP A 5 -3.195 -15.634 -4.965 1.00 0.00 C ATOM 73 C ASP A 5 -3.528 -14.411 -5.820 1.00 0.00 C ATOM 74 O ASP A 5 -3.842 -13.346 -5.291 1.00 0.00 O ATOM 75 CB ASP A 5 -4.222 -16.724 -5.277 1.00 0.00 C ATOM 76 CG ASP A 5 -4.192 -17.931 -4.337 1.00 0.00 C ATOM 77 OD1 ASP A 5 -3.145 -18.568 -4.149 1.00 0.00 O ATOM 78 OD2 ASP A 5 -5.319 -18.213 -3.776 1.00 0.00 O ATOM 0 H ASP A 5 -3.898 -14.521 -3.334 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.195 -16.006 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.218 -16.283 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.060 -17.073 -6.297 1.00 0.00 H new ATOM 84 N ASP A 6 -3.448 -14.604 -7.129 1.00 0.00 N ATOM 85 CA ASP A 6 -3.737 -13.529 -8.063 1.00 0.00 C ATOM 86 C ASP A 6 -4.941 -12.731 -7.558 1.00 0.00 C ATOM 87 O ASP A 6 -4.891 -11.504 -7.489 1.00 0.00 O ATOM 88 CB ASP A 6 -4.083 -14.081 -9.447 1.00 0.00 C ATOM 89 CG ASP A 6 -4.705 -15.479 -9.450 1.00 0.00 C ATOM 90 OD1 ASP A 6 -4.000 -16.492 -9.327 1.00 0.00 O ATOM 91 OD2 ASP A 6 -5.987 -15.505 -9.586 1.00 0.00 O ATOM 0 H ASP A 6 -3.187 -15.489 -7.564 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.851 -12.899 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.773 -13.392 -9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.175 -14.103 -10.050 1.00 0.00 H new ATOM 97 N ILE A 7 -5.994 -13.460 -7.219 1.00 0.00 N ATOM 98 CA ILE A 7 -7.208 -12.835 -6.723 1.00 0.00 C ATOM 99 C ILE A 7 -6.846 -11.806 -5.650 1.00 0.00 C ATOM 100 O ILE A 7 -7.307 -10.666 -5.697 1.00 0.00 O ATOM 101 CB ILE A 7 -8.201 -13.897 -6.245 1.00 0.00 C ATOM 102 CG1 ILE A 7 -8.634 -14.801 -7.401 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.397 -13.252 -5.543 1.00 0.00 C ATOM 104 CD1 ILE A 7 -8.399 -16.275 -7.062 1.00 0.00 C ATOM 0 H ILE A 7 -6.032 -14.478 -7.278 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.713 -12.296 -7.525 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.700 -14.529 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.689 -14.638 -7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.078 -14.538 -8.301 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.087 -14.028 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.050 -12.685 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.908 -12.583 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.715 -16.896 -7.900 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.339 -16.439 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.975 -16.541 -6.176 1.00 0.00 H new ATOM 116 N ALA A 8 -6.023 -12.244 -4.709 1.00 0.00 N ATOM 117 CA ALA A 8 -5.593 -11.376 -3.627 1.00 0.00 C ATOM 118 C ALA A 8 -5.053 -10.069 -4.211 1.00 0.00 C ATOM 119 O ALA A 8 -5.447 -8.984 -3.785 1.00 0.00 O ATOM 120 CB ALA A 8 -4.555 -12.103 -2.769 1.00 0.00 C ATOM 0 H ALA A 8 -5.642 -13.190 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.434 -11.126 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.233 -11.451 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.997 -13.009 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.695 -12.368 -3.385 1.00 0.00 H new ATOM 126 N LYS A 9 -4.160 -10.215 -5.179 1.00 0.00 N ATOM 127 CA LYS A 9 -3.563 -9.059 -5.826 1.00 0.00 C ATOM 128 C LYS A 9 -4.669 -8.103 -6.276 1.00 0.00 C ATOM 129 O LYS A 9 -4.537 -6.888 -6.139 1.00 0.00 O ATOM 130 CB LYS A 9 -2.633 -9.500 -6.959 1.00 0.00 C ATOM 131 CG LYS A 9 -1.278 -8.797 -6.862 1.00 0.00 C ATOM 132 CD LYS A 9 -0.331 -9.556 -5.931 1.00 0.00 C ATOM 133 CE LYS A 9 0.558 -10.519 -6.721 1.00 0.00 C ATOM 134 NZ LYS A 9 1.524 -9.767 -7.554 1.00 0.00 N ATOM 0 H LYS A 9 -3.836 -11.116 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.935 -8.512 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.490 -10.580 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.095 -9.276 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.833 -8.719 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.417 -7.780 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.291 -8.848 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.909 -10.112 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.094 -11.175 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.059 -11.156 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.365 -10.354 -7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.081 -9.521 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.805 -8.896 -7.059 1.00 0.00 H new ATOM 147 N ARG A 10 -5.734 -8.688 -6.803 1.00 0.00 N ATOM 148 CA ARG A 10 -6.863 -7.903 -7.274 1.00 0.00 C ATOM 149 C ARG A 10 -7.368 -6.981 -6.162 1.00 0.00 C ATOM 150 O ARG A 10 -7.683 -5.818 -6.411 1.00 0.00 O ATOM 151 CB ARG A 10 -8.008 -8.806 -7.737 1.00 0.00 C ATOM 152 CG ARG A 10 -8.447 -8.449 -9.158 1.00 0.00 C ATOM 153 CD ARG A 10 -9.454 -7.297 -9.147 1.00 0.00 C ATOM 154 NE ARG A 10 -9.414 -6.577 -10.439 1.00 0.00 N ATOM 155 CZ ARG A 10 -9.921 -7.064 -11.593 1.00 0.00 C ATOM 156 NH1 ARG A 10 -10.511 -8.277 -11.624 1.00 0.00 N ATOM 157 NH2 ARG A 10 -9.829 -6.335 -12.689 1.00 0.00 N ATOM 0 H ARG A 10 -5.839 -9.696 -6.914 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.522 -7.306 -8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.691 -9.848 -7.701 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.853 -8.706 -7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.577 -8.170 -9.752 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.893 -9.322 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.458 -7.682 -8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.225 -6.611 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.977 -5.656 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.577 -8.834 -10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.891 -8.637 -12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.381 -5.419 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.206 -6.687 -13.569 1.00 0.00 H new ATOM 170 N LYS A 11 -7.430 -7.534 -4.960 1.00 0.00 N ATOM 171 CA LYS A 11 -7.892 -6.776 -3.810 1.00 0.00 C ATOM 172 C LYS A 11 -7.054 -5.503 -3.674 1.00 0.00 C ATOM 173 O LYS A 11 -7.596 -4.416 -3.482 1.00 0.00 O ATOM 174 CB LYS A 11 -7.890 -7.651 -2.555 1.00 0.00 C ATOM 175 CG LYS A 11 -8.682 -6.991 -1.425 1.00 0.00 C ATOM 176 CD LYS A 11 -8.312 -7.596 -0.070 1.00 0.00 C ATOM 177 CE LYS A 11 -7.785 -6.523 0.885 1.00 0.00 C ATOM 178 NZ LYS A 11 -8.901 -5.709 1.416 1.00 0.00 N ATOM 0 H LYS A 11 -7.168 -8.499 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.927 -6.464 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.322 -8.625 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.864 -7.826 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.484 -5.919 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.750 -7.116 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.186 -8.079 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.556 -8.369 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.246 -6.993 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.075 -5.881 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.521 -4.859 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.527 -5.426 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.441 -6.268 2.107 1.00 0.00 H new ATOM 191 N ILE A 12 -5.745 -5.682 -3.778 1.00 0.00 N ATOM 192 CA ILE A 12 -4.826 -4.561 -3.668 1.00 0.00 C ATOM 193 C ILE A 12 -5.417 -3.350 -4.393 1.00 0.00 C ATOM 194 O ILE A 12 -5.537 -2.273 -3.812 1.00 0.00 O ATOM 195 CB ILE A 12 -3.435 -4.958 -4.167 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.393 -4.816 -3.056 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.053 -4.163 -5.417 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.461 -5.996 -2.085 1.00 0.00 C ATOM 0 H ILE A 12 -5.299 -6.585 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.696 -4.276 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.461 -6.010 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.396 -4.757 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.559 -3.885 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.060 -4.465 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.777 -4.359 -6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.050 -3.098 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.710 -5.870 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.451 -6.037 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.271 -6.923 -2.625 1.00 0.00 H new ATOM 210 N ARG A 13 -5.769 -3.568 -5.651 1.00 0.00 N ATOM 211 CA ARG A 13 -6.345 -2.507 -6.461 1.00 0.00 C ATOM 212 C ARG A 13 -7.796 -2.252 -6.049 1.00 0.00 C ATOM 213 O ARG A 13 -8.214 -1.103 -5.916 1.00 0.00 O ATOM 214 CB ARG A 13 -6.300 -2.864 -7.948 1.00 0.00 C ATOM 215 CG ARG A 13 -5.361 -1.926 -8.709 1.00 0.00 C ATOM 216 CD ARG A 13 -5.403 -2.209 -10.212 1.00 0.00 C ATOM 217 NE ARG A 13 -6.143 -1.133 -10.909 1.00 0.00 N ATOM 218 CZ ARG A 13 -5.669 0.118 -11.089 1.00 0.00 C ATOM 219 NH1 ARG A 13 -4.449 0.462 -10.625 1.00 0.00 N ATOM 220 NH2 ARG A 13 -6.416 1.000 -11.727 1.00 0.00 N ATOM 0 H ARG A 13 -5.667 -4.463 -6.130 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.754 -1.606 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.966 -3.895 -8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.303 -2.802 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.646 -0.891 -8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.342 -2.048 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.389 -2.278 -10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.883 -3.170 -10.396 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.069 -1.351 -11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.878 -0.226 -10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.099 1.410 -10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.336 0.732 -12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.073 1.950 -11.871 1.00 0.00 H new ATOM 233 N PHE A 14 -8.524 -3.342 -5.857 1.00 0.00 N ATOM 234 CA PHE A 14 -9.919 -3.251 -5.462 1.00 0.00 C ATOM 235 C PHE A 14 -10.073 -2.429 -4.181 1.00 0.00 C ATOM 236 O PHE A 14 -11.148 -1.898 -3.906 1.00 0.00 O ATOM 237 CB PHE A 14 -10.404 -4.678 -5.200 1.00 0.00 C ATOM 238 CG PHE A 14 -11.900 -4.882 -5.450 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.342 -5.226 -6.689 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.787 -4.720 -4.432 1.00 0.00 C ATOM 241 CE1 PHE A 14 -13.730 -5.416 -6.921 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.175 -4.910 -4.664 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.617 -5.254 -5.903 1.00 0.00 C ATOM 0 H PHE A 14 -8.174 -4.293 -5.968 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.497 -2.763 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.843 -5.364 -5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.179 -4.943 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.637 -5.355 -7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.436 -4.447 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.081 -5.689 -7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.880 -4.781 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.673 -5.399 -6.079 1.00 0.00 H new ATOM 253 N GLN A 15 -8.983 -2.350 -3.432 1.00 0.00 N ATOM 254 CA GLN A 15 -8.984 -1.601 -2.186 1.00 0.00 C ATOM 255 C GLN A 15 -8.695 -0.123 -2.455 1.00 0.00 C ATOM 256 O GLN A 15 -9.409 0.751 -1.967 1.00 0.00 O ATOM 257 CB GLN A 15 -7.976 -2.186 -1.195 1.00 0.00 C ATOM 258 CG GLN A 15 -8.687 -2.960 -0.083 1.00 0.00 C ATOM 259 CD GLN A 15 -8.508 -2.267 1.269 1.00 0.00 C ATOM 260 OE1 GLN A 15 -7.609 -2.846 2.060 1.00 0.00 O flip ATOM 261 NE2 GLN A 15 -9.144 -1.271 1.574 1.00 0.00 N flip ATOM 0 H GLN A 15 -8.093 -2.792 -3.663 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.974 -1.681 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.286 -2.847 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.380 -1.384 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.749 -3.044 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.291 -3.974 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.820 -0.877 0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.000 -0.833 2.484 1.00 0.00 H new ATOM 270 N THR A 16 -7.647 0.110 -3.230 1.00 0.00 N ATOM 271 CA THR A 16 -7.254 1.468 -3.570 1.00 0.00 C ATOM 272 C THR A 16 -8.445 2.240 -4.140 1.00 0.00 C ATOM 273 O THR A 16 -8.842 3.268 -3.593 1.00 0.00 O ATOM 274 CB THR A 16 -6.065 1.390 -4.529 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.330 0.234 -5.318 1.00 0.00 O ATOM 276 CG2 THR A 16 -4.754 1.060 -3.811 1.00 0.00 C ATOM 0 H THR A 16 -7.057 -0.618 -3.633 1.00 0.00 H new ATOM 0 HA THR A 16 -6.940 2.023 -2.686 1.00 0.00 H new ATOM 0 HB THR A 16 -5.961 2.339 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.284 0.014 -5.266 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.942 1.017 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.539 1.832 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.846 0.096 -3.311 1.00 0.00 H new ATOM 284 N ARG A 17 -8.982 1.716 -5.231 1.00 0.00 N ATOM 285 CA ARG A 17 -10.120 2.343 -5.882 1.00 0.00 C ATOM 286 C ARG A 17 -11.071 2.932 -4.837 1.00 0.00 C ATOM 287 O ARG A 17 -11.376 2.284 -3.836 1.00 0.00 O ATOM 288 CB ARG A 17 -10.883 1.338 -6.747 1.00 0.00 C ATOM 289 CG ARG A 17 -11.957 2.038 -7.582 1.00 0.00 C ATOM 290 CD ARG A 17 -11.794 1.713 -9.068 1.00 0.00 C ATOM 291 NE ARG A 17 -12.471 2.742 -9.889 1.00 0.00 N ATOM 292 CZ ARG A 17 -13.812 2.870 -9.987 1.00 0.00 C ATOM 293 NH1 ARG A 17 -14.631 2.034 -9.316 1.00 0.00 N ATOM 294 NH2 ARG A 17 -14.309 3.826 -10.750 1.00 0.00 N ATOM 0 H ARG A 17 -8.650 0.863 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.739 3.139 -6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.187 0.817 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.346 0.583 -6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.946 1.727 -7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.894 3.116 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.736 1.669 -9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.215 0.731 -9.282 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.889 3.395 -10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.239 1.298 -8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.643 2.138 -9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.683 4.454 -11.254 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.319 3.937 -10.835 1.00 0.00 H new ATOM 307 N ARG A 18 -11.511 4.152 -5.105 1.00 0.00 N ATOM 308 CA ARG A 18 -12.421 4.835 -4.200 1.00 0.00 C ATOM 309 C ARG A 18 -11.642 5.478 -3.051 1.00 0.00 C ATOM 310 O ARG A 18 -10.547 5.033 -2.712 1.00 0.00 O ATOM 311 CB ARG A 18 -13.457 3.866 -3.627 1.00 0.00 C ATOM 312 CG ARG A 18 -14.859 4.478 -3.666 1.00 0.00 C ATOM 313 CD ARG A 18 -15.641 4.139 -2.395 1.00 0.00 C ATOM 314 NE ARG A 18 -17.089 4.078 -2.693 1.00 0.00 N ATOM 315 CZ ARG A 18 -17.894 5.159 -2.760 1.00 0.00 C ATOM 316 NH1 ARG A 18 -17.398 6.397 -2.551 1.00 0.00 N ATOM 317 NH2 ARG A 18 -19.174 4.988 -3.034 1.00 0.00 N ATOM 0 H ARG A 18 -11.255 4.686 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.939 5.607 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.446 2.937 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.195 3.613 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.784 5.560 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.397 4.107 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.303 3.183 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.450 4.891 -1.629 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.505 3.161 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.408 6.521 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.014 7.209 -2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.541 4.049 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.796 5.795 -3.088 1.00 0.00 H new ATOM 330 N GLY A 19 -12.239 6.515 -2.482 1.00 0.00 N ATOM 331 CA GLY A 19 -11.616 7.224 -1.377 1.00 0.00 C ATOM 332 C GLY A 19 -11.255 8.655 -1.778 1.00 0.00 C ATOM 333 O GLY A 19 -11.770 9.613 -1.205 1.00 0.00 O ATOM 0 H GLY A 19 -13.148 6.881 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.294 7.242 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.718 6.694 -1.060 1.00 0.00 H new ATOM 337 N LEU A 20 -10.371 8.756 -2.761 1.00 0.00 N ATOM 338 CA LEU A 20 -9.935 10.054 -3.245 1.00 0.00 C ATOM 339 C LEU A 20 -9.512 9.931 -4.710 1.00 0.00 C ATOM 340 O LEU A 20 -8.880 8.949 -5.097 1.00 0.00 O ATOM 341 CB LEU A 20 -8.846 10.627 -2.337 1.00 0.00 C ATOM 342 CG LEU A 20 -9.212 11.901 -1.572 1.00 0.00 C ATOM 343 CD1 LEU A 20 -10.034 12.848 -2.446 1.00 0.00 C ATOM 344 CD2 LEU A 20 -9.925 11.567 -0.260 1.00 0.00 C ATOM 0 H LEU A 20 -9.945 7.959 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.757 10.769 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.563 9.862 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.965 10.832 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.290 12.421 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.281 13.745 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.455 13.124 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.953 12.351 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.174 12.490 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.839 11.013 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.271 10.960 0.365 1.00 0.00 H new ATOM 356 N LEU A 21 -9.877 10.942 -5.486 1.00 0.00 N ATOM 357 CA LEU A 21 -9.543 10.959 -6.900 1.00 0.00 C ATOM 358 C LEU A 21 -8.032 10.786 -7.064 1.00 0.00 C ATOM 359 O LEU A 21 -7.567 9.730 -7.489 1.00 0.00 O ATOM 360 CB LEU A 21 -10.094 12.221 -7.565 1.00 0.00 C ATOM 361 CG LEU A 21 -9.692 12.441 -9.025 1.00 0.00 C ATOM 362 CD1 LEU A 21 -10.035 11.218 -9.878 1.00 0.00 C ATOM 363 CD2 LEU A 21 -10.319 13.721 -9.580 1.00 0.00 C ATOM 0 H LEU A 21 -10.401 11.755 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.017 10.123 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.182 12.191 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.768 13.085 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.610 12.569 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.739 11.400 -10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.502 10.347 -9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.109 11.034 -9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.017 13.853 -10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.405 13.648 -9.524 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.982 14.575 -8.993 1.00 0.00 H new ATOM 375 N GLU A 22 -7.307 11.840 -6.720 1.00 0.00 N ATOM 376 CA GLU A 22 -5.858 11.819 -6.824 1.00 0.00 C ATOM 377 C GLU A 22 -5.312 10.468 -6.357 1.00 0.00 C ATOM 378 O GLU A 22 -4.505 9.848 -7.048 1.00 0.00 O ATOM 379 CB GLU A 22 -5.234 12.967 -6.029 1.00 0.00 C ATOM 380 CG GLU A 22 -4.254 13.764 -6.893 1.00 0.00 C ATOM 381 CD GLU A 22 -4.966 14.912 -7.612 1.00 0.00 C ATOM 382 OE1 GLU A 22 -5.758 14.670 -8.535 1.00 0.00 O ATOM 383 OE2 GLU A 22 -4.671 16.091 -7.180 1.00 0.00 O ATOM 0 H GLU A 22 -7.696 12.715 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.587 11.957 -7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.019 13.627 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.715 12.570 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.454 14.162 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.789 13.104 -7.625 1.00 0.00 H new ATOM 391 N LEU A 23 -5.774 10.052 -5.187 1.00 0.00 N ATOM 392 CA LEU A 23 -5.343 8.786 -4.619 1.00 0.00 C ATOM 393 C LEU A 23 -5.462 7.689 -5.680 1.00 0.00 C ATOM 394 O LEU A 23 -4.548 6.884 -5.851 1.00 0.00 O ATOM 395 CB LEU A 23 -6.115 8.484 -3.333 1.00 0.00 C ATOM 396 CG LEU A 23 -5.310 7.838 -2.204 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.059 7.145 -2.749 1.00 0.00 C ATOM 398 CD2 LEU A 23 -4.972 8.860 -1.117 1.00 0.00 C ATOM 0 H LEU A 23 -6.443 10.570 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.294 8.837 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.541 9.416 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.949 7.827 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.928 7.069 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.505 6.694 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.352 6.370 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.428 7.877 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.400 8.375 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.382 9.668 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.894 9.266 -0.700 1.00 0.00 H new ATOM 410 N ASP A 24 -6.597 7.693 -6.363 1.00 0.00 N ATOM 411 CA ASP A 24 -6.848 6.708 -7.402 1.00 0.00 C ATOM 412 C ASP A 24 -5.712 6.753 -8.426 1.00 0.00 C ATOM 413 O ASP A 24 -5.333 5.724 -8.984 1.00 0.00 O ATOM 414 CB ASP A 24 -8.158 7.003 -8.136 1.00 0.00 C ATOM 415 CG ASP A 24 -8.785 5.802 -8.846 1.00 0.00 C ATOM 416 OD1 ASP A 24 -9.958 5.468 -8.622 1.00 0.00 O ATOM 417 OD2 ASP A 24 -8.006 5.190 -9.673 1.00 0.00 O ATOM 0 H ASP A 24 -7.353 8.362 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.912 5.728 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.878 7.399 -7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.977 7.787 -8.871 1.00 0.00 H new ATOM 423 N LEU A 25 -5.200 7.956 -8.643 1.00 0.00 N ATOM 424 CA LEU A 25 -4.115 8.149 -9.590 1.00 0.00 C ATOM 425 C LEU A 25 -2.810 7.639 -8.974 1.00 0.00 C ATOM 426 O LEU A 25 -2.089 6.861 -9.596 1.00 0.00 O ATOM 427 CB LEU A 25 -4.053 9.609 -10.043 1.00 0.00 C ATOM 428 CG LEU A 25 -5.396 10.331 -10.165 1.00 0.00 C ATOM 429 CD1 LEU A 25 -5.211 11.740 -10.733 1.00 0.00 C ATOM 430 CD2 LEU A 25 -6.389 9.508 -10.987 1.00 0.00 C ATOM 0 H LEU A 25 -5.517 8.807 -8.179 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.290 7.566 -10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.429 10.161 -9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.553 9.647 -11.011 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.818 10.439 -9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.181 12.232 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.563 12.316 -10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.757 11.677 -11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.335 10.044 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.987 9.347 -11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.553 8.546 -10.502 1.00 0.00 H new ATOM 442 N ILE A 26 -2.547 8.099 -7.760 1.00 0.00 N ATOM 443 CA ILE A 26 -1.342 7.700 -7.054 1.00 0.00 C ATOM 444 C ILE A 26 -1.218 6.175 -7.086 1.00 0.00 C ATOM 445 O ILE A 26 -0.223 5.639 -7.571 1.00 0.00 O ATOM 446 CB ILE A 26 -1.328 8.289 -5.642 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.492 9.809 -5.680 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.068 7.867 -4.884 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.370 10.296 -4.525 1.00 0.00 C ATOM 0 H ILE A 26 -3.148 8.744 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.459 8.102 -7.551 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.182 7.887 -5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.513 10.285 -5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.937 10.107 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.083 8.299 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.035 6.780 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.814 8.221 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.470 11.380 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.356 9.837 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.910 10.018 -3.576 1.00 0.00 H new ATOM 461 N PHE A 27 -2.244 5.520 -6.562 1.00 0.00 N ATOM 462 CA PHE A 27 -2.263 4.067 -6.525 1.00 0.00 C ATOM 463 C PHE A 27 -1.830 3.478 -7.869 1.00 0.00 C ATOM 464 O PHE A 27 -1.019 2.554 -7.913 1.00 0.00 O ATOM 465 CB PHE A 27 -3.706 3.646 -6.238 1.00 0.00 C ATOM 466 CG PHE A 27 -4.160 3.917 -4.803 1.00 0.00 C ATOM 467 CD1 PHE A 27 -3.354 3.582 -3.760 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.369 4.494 -4.569 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.775 3.834 -2.427 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.790 4.746 -3.237 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.984 4.410 -2.194 1.00 0.00 C ATOM 0 H PHE A 27 -3.067 5.968 -6.160 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.574 3.705 -5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.370 4.172 -6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.811 2.581 -6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.394 3.124 -3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.009 4.761 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.135 3.568 -1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.750 5.204 -3.052 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.305 4.601 -1.181 1.00 0.00 H new ATOM 481 N GLY A 28 -2.389 4.038 -8.932 1.00 0.00 N ATOM 482 CA GLY A 28 -2.071 3.579 -10.273 1.00 0.00 C ATOM 483 C GLY A 28 -0.570 3.320 -10.423 1.00 0.00 C ATOM 484 O GLY A 28 -0.165 2.280 -10.939 1.00 0.00 O ATOM 0 H GLY A 28 -3.060 4.805 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.625 2.665 -10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.390 4.325 -11.001 1.00 0.00 H new ATOM 488 N ARG A 29 0.213 4.284 -9.961 1.00 0.00 N ATOM 489 CA ARG A 29 1.660 4.173 -10.037 1.00 0.00 C ATOM 490 C ARG A 29 2.196 3.395 -8.834 1.00 0.00 C ATOM 491 O ARG A 29 2.859 2.372 -8.997 1.00 0.00 O ATOM 492 CB ARG A 29 2.317 5.554 -10.077 1.00 0.00 C ATOM 493 CG ARG A 29 2.597 5.987 -11.518 1.00 0.00 C ATOM 494 CD ARG A 29 4.068 6.364 -11.701 1.00 0.00 C ATOM 495 NE ARG A 29 4.203 7.366 -12.782 1.00 0.00 N ATOM 496 CZ ARG A 29 5.307 8.116 -12.985 1.00 0.00 C ATOM 497 NH1 ARG A 29 6.383 7.983 -12.180 1.00 0.00 N ATOM 498 NH2 ARG A 29 5.318 8.981 -13.981 1.00 0.00 N ATOM 0 H ARG A 29 -0.127 5.145 -9.533 1.00 0.00 H new ATOM 0 HA ARG A 29 1.904 3.641 -10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.667 6.284 -9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.249 5.534 -9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.337 5.179 -12.201 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.965 6.837 -11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.468 6.766 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.652 5.476 -11.942 1.00 0.00 H new ATOM 0 HE ARG A 29 3.413 7.498 -13.413 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.365 7.312 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.213 8.553 -12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.500 9.075 -14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.144 9.556 -14.148 1.00 0.00 H new ATOM 511 N PHE A 30 1.890 3.911 -7.652 1.00 0.00 N ATOM 512 CA PHE A 30 2.333 3.278 -6.422 1.00 0.00 C ATOM 513 C PHE A 30 2.264 1.753 -6.534 1.00 0.00 C ATOM 514 O PHE A 30 3.060 1.046 -5.919 1.00 0.00 O ATOM 515 CB PHE A 30 1.384 3.739 -5.314 1.00 0.00 C ATOM 516 CG PHE A 30 1.275 2.763 -4.141 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.279 2.683 -3.227 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.174 1.975 -4.013 1.00 0.00 C ATOM 519 CE1 PHE A 30 2.178 1.777 -2.139 1.00 0.00 C ATOM 520 CE2 PHE A 30 0.073 1.068 -2.924 1.00 0.00 C ATOM 521 CZ PHE A 30 1.077 0.988 -2.010 1.00 0.00 C ATOM 0 H PHE A 30 1.341 4.760 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 30 3.367 3.554 -6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.722 4.705 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.392 3.892 -5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.153 3.309 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.623 2.039 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.975 1.714 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.801 0.442 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.000 0.299 -1.182 1.00 0.00 H new ATOM 531 N MET A 31 1.305 1.293 -7.324 1.00 0.00 N ATOM 532 CA MET A 31 1.122 -0.134 -7.524 1.00 0.00 C ATOM 533 C MET A 31 2.034 -0.653 -8.638 1.00 0.00 C ATOM 534 O MET A 31 2.700 -1.675 -8.475 1.00 0.00 O ATOM 535 CB MET A 31 -0.337 -0.416 -7.887 1.00 0.00 C ATOM 536 CG MET A 31 -1.145 -0.806 -6.647 1.00 0.00 C ATOM 537 SD MET A 31 -2.312 0.484 -6.248 1.00 0.00 S ATOM 538 CE MET A 31 -3.552 0.176 -7.495 1.00 0.00 C ATOM 0 H MET A 31 0.647 1.883 -7.833 1.00 0.00 H new ATOM 0 HA MET A 31 1.381 -0.647 -6.598 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.778 0.467 -8.350 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.384 -1.218 -8.623 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.673 -1.742 -6.827 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.475 -0.975 -5.804 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.751 1.096 -8.045 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.193 -0.588 -8.184 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.470 -0.168 -7.018 1.00 0.00 H new ATOM 548 N GLU A 32 2.036 0.075 -9.745 1.00 0.00 N ATOM 549 CA GLU A 32 2.855 -0.299 -10.885 1.00 0.00 C ATOM 550 C GLU A 32 4.264 -0.678 -10.425 1.00 0.00 C ATOM 551 O GLU A 32 4.936 -1.483 -11.068 1.00 0.00 O ATOM 552 CB GLU A 32 2.900 0.827 -11.920 1.00 0.00 C ATOM 553 CG GLU A 32 2.714 0.277 -13.336 1.00 0.00 C ATOM 554 CD GLU A 32 3.511 1.098 -14.352 1.00 0.00 C ATOM 555 OE1 GLU A 32 4.650 0.737 -14.684 1.00 0.00 O ATOM 556 OE2 GLU A 32 2.907 2.146 -14.801 1.00 0.00 O ATOM 0 H GLU A 32 1.483 0.922 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 32 2.404 -1.169 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.119 1.556 -11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.853 1.351 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.036 -0.764 -13.371 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.657 0.292 -13.600 1.00 0.00 H new ATOM 564 N LYS A 33 4.671 -0.079 -9.315 1.00 0.00 N ATOM 565 CA LYS A 33 5.988 -0.343 -8.761 1.00 0.00 C ATOM 566 C LYS A 33 5.877 -1.430 -7.690 1.00 0.00 C ATOM 567 O LYS A 33 6.563 -2.448 -7.761 1.00 0.00 O ATOM 568 CB LYS A 33 6.627 0.953 -8.259 1.00 0.00 C ATOM 569 CG LYS A 33 7.731 1.424 -9.208 1.00 0.00 C ATOM 570 CD LYS A 33 8.339 2.744 -8.731 1.00 0.00 C ATOM 571 CE LYS A 33 9.797 2.555 -8.308 1.00 0.00 C ATOM 572 NZ LYS A 33 10.593 3.758 -8.640 1.00 0.00 N ATOM 0 H LYS A 33 4.111 0.589 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 33 6.658 -0.723 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.865 1.727 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.041 0.796 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.509 0.663 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.324 1.549 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.281 3.484 -9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.761 3.133 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.849 2.362 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.217 1.684 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.580 3.613 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.558 3.925 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.201 4.582 -8.141 1.00 0.00 H new ATOM 585 N GLU A 34 5.008 -1.176 -6.723 1.00 0.00 N ATOM 586 CA GLU A 34 4.799 -2.120 -5.638 1.00 0.00 C ATOM 587 C GLU A 34 3.984 -3.319 -6.128 1.00 0.00 C ATOM 588 O GLU A 34 4.534 -4.392 -6.366 1.00 0.00 O ATOM 589 CB GLU A 34 4.118 -1.444 -4.446 1.00 0.00 C ATOM 590 CG GLU A 34 5.083 -0.498 -3.728 1.00 0.00 C ATOM 591 CD GLU A 34 6.369 -1.225 -3.330 1.00 0.00 C ATOM 592 OE1 GLU A 34 7.324 -1.272 -4.120 1.00 0.00 O ATOM 593 OE2 GLU A 34 6.355 -1.753 -2.154 1.00 0.00 O ATOM 0 H GLU A 34 4.440 -0.330 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 34 5.772 -2.479 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.245 -0.888 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.760 -2.202 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.323 0.344 -4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.603 -0.088 -2.839 1.00 0.00 H new ATOM 601 N PHE A 35 2.685 -3.095 -6.263 1.00 0.00 N ATOM 602 CA PHE A 35 1.789 -4.143 -6.720 1.00 0.00 C ATOM 603 C PHE A 35 2.428 -4.959 -7.845 1.00 0.00 C ATOM 604 O PHE A 35 2.085 -6.124 -8.044 1.00 0.00 O ATOM 605 CB PHE A 35 0.532 -3.455 -7.256 1.00 0.00 C ATOM 606 CG PHE A 35 -0.262 -4.300 -8.255 1.00 0.00 C ATOM 607 CD1 PHE A 35 -0.940 -5.399 -7.828 1.00 0.00 C ATOM 608 CD2 PHE A 35 -0.291 -3.951 -9.569 1.00 0.00 C ATOM 609 CE1 PHE A 35 -1.677 -6.183 -8.755 1.00 0.00 C ATOM 610 CE2 PHE A 35 -1.028 -4.735 -10.496 1.00 0.00 C ATOM 611 CZ PHE A 35 -1.705 -5.834 -10.069 1.00 0.00 C ATOM 0 H PHE A 35 2.232 -2.203 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 35 1.562 -4.822 -5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.115 -3.199 -6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.819 -2.519 -7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.918 -5.675 -6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.246 -3.078 -9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.215 -7.056 -8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.051 -4.458 -11.540 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.265 -6.430 -10.774 1.00 0.00 H new ATOM 621 N GLU A 36 3.346 -4.316 -8.552 1.00 0.00 N ATOM 622 CA GLU A 36 4.036 -4.968 -9.651 1.00 0.00 C ATOM 623 C GLU A 36 4.246 -6.452 -9.342 1.00 0.00 C ATOM 624 O GLU A 36 3.866 -7.314 -10.133 1.00 0.00 O ATOM 625 CB GLU A 36 5.369 -4.277 -9.949 1.00 0.00 C ATOM 626 CG GLU A 36 5.724 -4.387 -11.433 1.00 0.00 C ATOM 627 CD GLU A 36 6.659 -5.572 -11.687 1.00 0.00 C ATOM 628 OE1 GLU A 36 7.581 -5.814 -10.894 1.00 0.00 O ATOM 629 OE2 GLU A 36 6.399 -6.253 -12.751 1.00 0.00 O ATOM 0 H GLU A 36 3.628 -3.350 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 36 3.414 -4.887 -10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.310 -3.227 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.159 -4.728 -9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.814 -4.505 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.201 -3.465 -11.766 1.00 0.00 H new ATOM 637 N HIS A 37 4.849 -6.704 -8.190 1.00 0.00 N ATOM 638 CA HIS A 37 5.114 -8.068 -7.766 1.00 0.00 C ATOM 639 C HIS A 37 5.222 -8.121 -6.241 1.00 0.00 C ATOM 640 O HIS A 37 6.211 -8.613 -5.702 1.00 0.00 O ATOM 641 CB HIS A 37 6.354 -8.625 -8.468 1.00 0.00 C ATOM 642 CG HIS A 37 6.302 -10.113 -8.719 1.00 0.00 C ATOM 643 ND1 HIS A 37 6.983 -10.722 -9.759 1.00 0.00 N ATOM 644 CD2 HIS A 37 5.646 -11.106 -8.054 1.00 0.00 C ATOM 645 CE1 HIS A 37 6.739 -12.024 -9.712 1.00 0.00 C ATOM 646 NE2 HIS A 37 5.910 -12.260 -8.655 1.00 0.00 N ATOM 0 H HIS A 37 5.162 -5.986 -7.536 1.00 0.00 H new ATOM 0 HA HIS A 37 4.283 -8.710 -8.059 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.481 -8.111 -9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.233 -8.399 -7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.018 -10.976 -7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.128 -12.768 -10.392 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.552 -13.172 -8.373 1.00 0.00 H new ATOM 654 N LEU A 38 4.190 -7.605 -5.589 1.00 0.00 N ATOM 655 CA LEU A 38 4.157 -7.587 -4.136 1.00 0.00 C ATOM 656 C LEU A 38 4.288 -9.017 -3.609 1.00 0.00 C ATOM 657 O LEU A 38 3.567 -9.912 -4.048 1.00 0.00 O ATOM 658 CB LEU A 38 2.906 -6.860 -3.638 1.00 0.00 C ATOM 659 CG LEU A 38 2.932 -5.333 -3.741 1.00 0.00 C ATOM 660 CD1 LEU A 38 1.546 -4.743 -3.475 1.00 0.00 C ATOM 661 CD2 LEU A 38 3.995 -4.739 -2.816 1.00 0.00 C ATOM 0 H LEU A 38 3.371 -7.197 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 38 5.003 -7.024 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.048 -7.228 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.743 -7.131 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 38 3.207 -5.064 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.592 -3.657 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.839 -5.131 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.219 -5.020 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.992 -3.653 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.776 -5.016 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.976 -5.124 -3.094 1.00 0.00 H new ATOM 673 N SER A 39 5.213 -9.187 -2.676 1.00 0.00 N ATOM 674 CA SER A 39 5.447 -10.494 -2.084 1.00 0.00 C ATOM 675 C SER A 39 4.329 -10.829 -1.095 1.00 0.00 C ATOM 676 O SER A 39 3.493 -9.981 -0.788 1.00 0.00 O ATOM 677 CB SER A 39 6.807 -10.545 -1.385 1.00 0.00 C ATOM 678 OG SER A 39 7.847 -10.011 -2.200 1.00 0.00 O ATOM 0 H SER A 39 5.809 -8.442 -2.315 1.00 0.00 H new ATOM 0 HA SER A 39 5.450 -11.236 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.755 -9.986 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.043 -11.577 -1.126 1.00 0.00 H new ATOM 0 HG SER A 39 8.699 -10.060 -1.717 1.00 0.00 H new ATOM 684 N ASP A 40 4.351 -12.067 -0.624 1.00 0.00 N ATOM 685 CA ASP A 40 3.349 -12.525 0.323 1.00 0.00 C ATOM 686 C ASP A 40 3.340 -11.595 1.538 1.00 0.00 C ATOM 687 O ASP A 40 2.288 -11.095 1.934 1.00 0.00 O ATOM 688 CB ASP A 40 3.660 -13.940 0.814 1.00 0.00 C ATOM 689 CG ASP A 40 2.554 -14.595 1.643 1.00 0.00 C ATOM 690 OD1 ASP A 40 2.208 -14.120 2.735 1.00 0.00 O ATOM 691 OD2 ASP A 40 2.033 -15.652 1.118 1.00 0.00 O ATOM 0 H ASP A 40 5.047 -12.767 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 40 2.383 -12.523 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.867 -14.571 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.571 -13.909 1.412 1.00 0.00 H new ATOM 697 N LYS A 41 4.524 -11.391 2.096 1.00 0.00 N ATOM 698 CA LYS A 41 4.666 -10.530 3.258 1.00 0.00 C ATOM 699 C LYS A 41 4.287 -9.098 2.876 1.00 0.00 C ATOM 700 O LYS A 41 3.572 -8.424 3.615 1.00 0.00 O ATOM 701 CB LYS A 41 6.071 -10.657 3.850 1.00 0.00 C ATOM 702 CG LYS A 41 6.119 -10.097 5.273 1.00 0.00 C ATOM 703 CD LYS A 41 7.561 -10.002 5.777 1.00 0.00 C ATOM 704 CE LYS A 41 7.717 -10.707 7.127 1.00 0.00 C ATOM 705 NZ LYS A 41 9.038 -10.402 7.720 1.00 0.00 N ATOM 0 H LYS A 41 5.394 -11.807 1.765 1.00 0.00 H new ATOM 0 HA LYS A 41 3.983 -10.841 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.373 -11.704 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.784 -10.124 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.657 -9.110 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.539 -10.736 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.235 -10.451 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.848 -8.955 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.925 -10.388 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.610 -11.784 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.128 -10.888 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.790 -10.728 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.126 -9.376 7.863 1.00 0.00 H new ATOM 718 N GLU A 42 4.782 -8.677 1.722 1.00 0.00 N ATOM 719 CA GLU A 42 4.504 -7.337 1.232 1.00 0.00 C ATOM 720 C GLU A 42 2.997 -7.135 1.067 1.00 0.00 C ATOM 721 O GLU A 42 2.501 -6.014 1.174 1.00 0.00 O ATOM 722 CB GLU A 42 5.241 -7.069 -0.081 1.00 0.00 C ATOM 723 CG GLU A 42 6.726 -7.415 0.043 1.00 0.00 C ATOM 724 CD GLU A 42 7.579 -6.148 0.130 1.00 0.00 C ATOM 725 OE1 GLU A 42 8.038 -5.784 1.223 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.760 -5.534 -0.990 1.00 0.00 O ATOM 0 H GLU A 42 5.374 -9.240 1.111 1.00 0.00 H new ATOM 0 HA GLU A 42 4.869 -6.619 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.792 -7.658 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.130 -6.020 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.887 -8.028 0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.038 -8.009 -0.816 1.00 0.00 H new ATOM 734 N LEU A 43 2.309 -8.238 0.808 1.00 0.00 N ATOM 735 CA LEU A 43 0.868 -8.196 0.626 1.00 0.00 C ATOM 736 C LEU A 43 0.191 -8.035 1.989 1.00 0.00 C ATOM 737 O LEU A 43 -0.979 -7.665 2.065 1.00 0.00 O ATOM 738 CB LEU A 43 0.391 -9.420 -0.157 1.00 0.00 C ATOM 739 CG LEU A 43 0.778 -9.463 -1.637 1.00 0.00 C ATOM 740 CD1 LEU A 43 0.884 -10.906 -2.134 1.00 0.00 C ATOM 741 CD2 LEU A 43 -0.192 -8.635 -2.481 1.00 0.00 C ATOM 0 H LEU A 43 2.723 -9.166 0.720 1.00 0.00 H new ATOM 0 HA LEU A 43 0.585 -7.332 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.786 -10.313 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.695 -9.472 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 43 1.764 -9.012 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.160 -10.908 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.644 -11.434 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.077 -11.405 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.105 -8.682 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.201 -9.033 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.173 -7.598 -2.145 1.00 0.00 H new ATOM 753 N SER A 44 0.956 -8.322 3.032 1.00 0.00 N ATOM 754 CA SER A 44 0.445 -8.215 4.388 1.00 0.00 C ATOM 755 C SER A 44 0.360 -6.744 4.799 1.00 0.00 C ATOM 756 O SER A 44 -0.721 -6.243 5.107 1.00 0.00 O ATOM 757 CB SER A 44 1.323 -8.991 5.371 1.00 0.00 C ATOM 758 OG SER A 44 0.675 -9.189 6.624 1.00 0.00 O ATOM 0 H SER A 44 1.926 -8.629 2.965 1.00 0.00 H new ATOM 0 HA SER A 44 -0.553 -8.652 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.582 -9.958 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.257 -8.451 5.527 1.00 0.00 H new ATOM 0 HG SER A 44 1.267 -9.690 7.223 1.00 0.00 H new ATOM 764 N GLU A 45 1.514 -6.092 4.792 1.00 0.00 N ATOM 765 CA GLU A 45 1.583 -4.689 5.161 1.00 0.00 C ATOM 766 C GLU A 45 0.584 -3.873 4.337 1.00 0.00 C ATOM 767 O GLU A 45 -0.128 -3.028 4.878 1.00 0.00 O ATOM 768 CB GLU A 45 3.004 -4.147 4.992 1.00 0.00 C ATOM 769 CG GLU A 45 3.690 -4.775 3.777 1.00 0.00 C ATOM 770 CD GLU A 45 4.767 -5.772 4.210 1.00 0.00 C ATOM 771 OE1 GLU A 45 5.909 -5.695 3.733 1.00 0.00 O ATOM 772 OE2 GLU A 45 4.383 -6.649 5.074 1.00 0.00 O ATOM 0 H GLU A 45 2.409 -6.510 4.536 1.00 0.00 H new ATOM 0 HA GLU A 45 1.317 -4.597 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.972 -3.064 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.586 -4.355 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.949 -5.281 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.138 -3.993 3.164 1.00 0.00 H new ATOM 780 N PHE A 46 0.563 -4.155 3.043 1.00 0.00 N ATOM 781 CA PHE A 46 -0.337 -3.459 2.140 1.00 0.00 C ATOM 782 C PHE A 46 -1.789 -3.589 2.604 1.00 0.00 C ATOM 783 O PHE A 46 -2.467 -2.586 2.823 1.00 0.00 O ATOM 784 CB PHE A 46 -0.192 -4.118 0.767 1.00 0.00 C ATOM 785 CG PHE A 46 0.526 -3.250 -0.268 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.861 -3.019 -0.153 1.00 0.00 C ATOM 787 CD2 PHE A 46 -0.171 -2.709 -1.303 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.527 -2.213 -1.114 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.495 -1.903 -2.263 1.00 0.00 C ATOM 790 CZ PHE A 46 1.830 -1.672 -2.149 1.00 0.00 C ATOM 0 H PHE A 46 1.155 -4.856 2.598 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.087 -2.399 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.353 -5.055 0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.183 -4.370 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.415 -3.448 0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.231 -2.893 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.587 -2.030 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.059 -1.473 -3.084 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.337 -1.059 -2.880 1.00 0.00 H new ATOM 800 N SER A 47 -2.224 -4.833 2.741 1.00 0.00 N ATOM 801 CA SER A 47 -3.583 -5.108 3.176 1.00 0.00 C ATOM 802 C SER A 47 -3.817 -4.515 4.567 1.00 0.00 C ATOM 803 O SER A 47 -4.960 -4.310 4.973 1.00 0.00 O ATOM 804 CB SER A 47 -3.865 -6.612 3.185 1.00 0.00 C ATOM 805 OG SER A 47 -5.261 -6.893 3.151 1.00 0.00 O ATOM 0 H SER A 47 -1.659 -5.662 2.558 1.00 0.00 H new ATOM 0 HA SER A 47 -4.270 -4.642 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.381 -7.077 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.427 -7.058 4.078 1.00 0.00 H new ATOM 0 HG SER A 47 -5.400 -7.863 3.156 1.00 0.00 H new ATOM 811 N GLU A 48 -2.717 -4.257 5.258 1.00 0.00 N ATOM 812 CA GLU A 48 -2.788 -3.691 6.595 1.00 0.00 C ATOM 813 C GLU A 48 -2.889 -2.166 6.522 1.00 0.00 C ATOM 814 O GLU A 48 -3.725 -1.563 7.193 1.00 0.00 O ATOM 815 CB GLU A 48 -1.586 -4.122 7.437 1.00 0.00 C ATOM 816 CG GLU A 48 -1.984 -5.194 8.454 1.00 0.00 C ATOM 817 CD GLU A 48 -0.749 -5.901 9.017 1.00 0.00 C ATOM 818 OE1 GLU A 48 0.309 -5.908 8.372 1.00 0.00 O ATOM 819 OE2 GLU A 48 -0.917 -6.456 10.169 1.00 0.00 O ATOM 0 H GLU A 48 -1.771 -4.429 4.918 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.686 -4.071 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.801 -4.507 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.173 -3.258 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.548 -4.737 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.641 -5.924 7.980 1.00 0.00 H new ATOM 827 N ILE A 49 -2.025 -1.587 5.701 1.00 0.00 N ATOM 828 CA ILE A 49 -2.006 -0.144 5.532 1.00 0.00 C ATOM 829 C ILE A 49 -3.215 0.283 4.696 1.00 0.00 C ATOM 830 O ILE A 49 -3.867 1.279 5.006 1.00 0.00 O ATOM 831 CB ILE A 49 -0.666 0.310 4.950 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.172 1.036 6.005 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.872 1.161 3.696 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.657 1.011 5.638 1.00 0.00 C ATOM 0 H ILE A 49 -1.333 -2.091 5.146 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.093 0.354 6.498 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.107 -0.576 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.166 2.068 6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.026 0.566 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.097 1.470 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.400 0.577 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.460 2.044 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.230 1.534 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.998 -0.022 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.803 1.504 4.677 1.00 0.00 H new ATOM 846 N LEU A 50 -3.477 -0.491 3.654 1.00 0.00 N ATOM 847 CA LEU A 50 -4.595 -0.206 2.772 1.00 0.00 C ATOM 848 C LEU A 50 -5.877 -0.095 3.600 1.00 0.00 C ATOM 849 O LEU A 50 -6.815 0.597 3.208 1.00 0.00 O ATOM 850 CB LEU A 50 -4.674 -1.246 1.652 1.00 0.00 C ATOM 851 CG LEU A 50 -3.566 -1.184 0.599 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.638 -2.386 -0.344 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.605 0.144 -0.160 1.00 0.00 C ATOM 0 H LEU A 50 -2.934 -1.316 3.400 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.452 0.753 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.664 -2.238 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.634 -1.135 1.148 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.605 -1.234 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.839 -2.317 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.524 -3.306 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.602 -2.393 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.807 0.162 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.568 0.249 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.468 0.968 0.541 1.00 0.00 H new ATOM 865 N GLU A 51 -5.875 -0.788 4.729 1.00 0.00 N ATOM 866 CA GLU A 51 -7.026 -0.776 5.616 1.00 0.00 C ATOM 867 C GLU A 51 -7.630 0.628 5.684 1.00 0.00 C ATOM 868 O GLU A 51 -8.845 0.780 5.805 1.00 0.00 O ATOM 869 CB GLU A 51 -6.649 -1.278 7.011 1.00 0.00 C ATOM 870 CG GLU A 51 -6.429 -2.793 7.008 1.00 0.00 C ATOM 871 CD GLU A 51 -7.149 -3.453 8.186 1.00 0.00 C ATOM 872 OE1 GLU A 51 -8.273 -3.951 8.024 1.00 0.00 O ATOM 873 OE2 GLU A 51 -6.499 -3.439 9.300 1.00 0.00 O ATOM 0 H GLU A 51 -5.095 -1.361 5.050 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.777 -1.455 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.743 -0.776 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.438 -1.023 7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.793 -3.215 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.362 -3.009 7.062 1.00 0.00 H new ATOM 881 N PHE A 52 -6.754 1.619 5.602 1.00 0.00 N ATOM 882 CA PHE A 52 -7.186 3.005 5.652 1.00 0.00 C ATOM 883 C PHE A 52 -7.696 3.470 4.287 1.00 0.00 C ATOM 884 O PHE A 52 -7.293 2.937 3.255 1.00 0.00 O ATOM 885 CB PHE A 52 -5.964 3.840 6.038 1.00 0.00 C ATOM 886 CG PHE A 52 -5.960 4.301 7.497 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.879 5.206 7.927 1.00 0.00 C ATOM 888 CD2 PHE A 52 -5.037 3.804 8.364 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.876 5.633 9.281 1.00 0.00 C ATOM 890 CE2 PHE A 52 -5.033 4.232 9.719 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.953 5.137 10.148 1.00 0.00 C ATOM 0 H PHE A 52 -5.747 1.489 5.501 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.998 3.116 6.370 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.063 3.255 5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.916 4.716 5.391 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.612 5.600 7.238 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.308 3.084 8.023 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.606 6.352 9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.300 3.839 10.408 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.951 5.462 11.178 1.00 0.00 H new ATOM 901 N GLN A 53 -8.576 4.460 4.326 1.00 0.00 N ATOM 902 CA GLN A 53 -9.146 5.003 3.104 1.00 0.00 C ATOM 903 C GLN A 53 -8.167 5.981 2.450 1.00 0.00 C ATOM 904 O GLN A 53 -7.220 6.437 3.089 1.00 0.00 O ATOM 905 CB GLN A 53 -10.491 5.677 3.379 1.00 0.00 C ATOM 906 CG GLN A 53 -11.325 4.855 4.364 1.00 0.00 C ATOM 907 CD GLN A 53 -12.690 4.505 3.767 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.620 5.295 3.772 1.00 0.00 O ATOM 909 NE2 GLN A 53 -12.759 3.280 3.255 1.00 0.00 N ATOM 0 H GLN A 53 -8.908 4.900 5.184 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.324 4.180 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.325 6.676 3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.039 5.797 2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.792 3.940 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.461 5.417 5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.943 2.669 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.628 2.951 2.834 1.00 0.00 H new ATOM 918 N ASP A 54 -8.429 6.273 1.185 1.00 0.00 N ATOM 919 CA ASP A 54 -7.582 7.188 0.438 1.00 0.00 C ATOM 920 C ASP A 54 -7.423 8.489 1.228 1.00 0.00 C ATOM 921 O ASP A 54 -6.306 8.883 1.563 1.00 0.00 O ATOM 922 CB ASP A 54 -8.204 7.532 -0.917 1.00 0.00 C ATOM 923 CG ASP A 54 -8.485 6.331 -1.822 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.427 5.172 -1.384 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.779 6.625 -3.043 1.00 0.00 O ATOM 0 H ASP A 54 -9.215 5.893 0.658 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.618 6.703 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.139 8.066 -0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.538 8.216 -1.443 1.00 0.00 H new ATOM 931 N GLN A 55 -8.555 9.120 1.503 1.00 0.00 N ATOM 932 CA GLN A 55 -8.554 10.368 2.247 1.00 0.00 C ATOM 933 C GLN A 55 -7.571 10.288 3.417 1.00 0.00 C ATOM 934 O GLN A 55 -6.642 11.088 3.507 1.00 0.00 O ATOM 935 CB GLN A 55 -9.962 10.715 2.737 1.00 0.00 C ATOM 936 CG GLN A 55 -10.154 12.230 2.823 1.00 0.00 C ATOM 937 CD GLN A 55 -10.359 12.675 4.272 1.00 0.00 C ATOM 938 OE1 GLN A 55 -11.009 12.015 5.066 1.00 0.00 O ATOM 939 NE2 GLN A 55 -9.769 13.829 4.572 1.00 0.00 N ATOM 0 H GLN A 55 -9.479 8.790 1.224 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.230 11.166 1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.702 10.289 2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.131 10.267 3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.284 12.735 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.014 12.526 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.239 14.331 3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.846 14.211 5.514 1.00 0.00 H new ATOM 948 N GLU A 56 -7.810 9.314 4.284 1.00 0.00 N ATOM 949 CA GLU A 56 -6.958 9.120 5.444 1.00 0.00 C ATOM 950 C GLU A 56 -5.523 8.822 5.004 1.00 0.00 C ATOM 951 O GLU A 56 -4.570 9.319 5.604 1.00 0.00 O ATOM 952 CB GLU A 56 -7.499 8.004 6.341 1.00 0.00 C ATOM 953 CG GLU A 56 -8.711 8.484 7.141 1.00 0.00 C ATOM 954 CD GLU A 56 -9.810 7.420 7.162 1.00 0.00 C ATOM 955 OE1 GLU A 56 -10.657 7.385 6.257 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.764 6.608 8.164 1.00 0.00 O ATOM 0 H GLU A 56 -8.581 8.651 4.206 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.955 10.041 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.778 7.145 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.717 7.670 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.408 8.719 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.099 9.404 6.704 1.00 0.00 H new ATOM 964 N LEU A 57 -5.413 8.013 3.961 1.00 0.00 N ATOM 965 CA LEU A 57 -4.111 7.643 3.434 1.00 0.00 C ATOM 966 C LEU A 57 -3.337 8.910 3.064 1.00 0.00 C ATOM 967 O LEU A 57 -2.272 9.176 3.620 1.00 0.00 O ATOM 968 CB LEU A 57 -4.262 6.655 2.276 1.00 0.00 C ATOM 969 CG LEU A 57 -2.963 6.205 1.604 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.073 5.442 2.588 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.252 5.390 0.342 1.00 0.00 C ATOM 0 H LEU A 57 -6.205 7.603 3.466 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.527 7.122 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.782 5.771 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.901 7.109 1.519 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.413 7.094 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.156 5.133 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.825 6.088 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.603 4.561 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.312 5.083 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.833 4.506 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.817 5.999 -0.363 1.00 0.00 H new ATOM 983 N LEU A 58 -3.902 9.659 2.129 1.00 0.00 N ATOM 984 CA LEU A 58 -3.278 10.892 1.678 1.00 0.00 C ATOM 985 C LEU A 58 -2.790 11.684 2.893 1.00 0.00 C ATOM 986 O LEU A 58 -1.599 11.966 3.016 1.00 0.00 O ATOM 987 CB LEU A 58 -4.232 11.676 0.775 1.00 0.00 C ATOM 988 CG LEU A 58 -3.583 12.452 -0.373 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.072 11.501 -1.457 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.543 13.501 -0.937 1.00 0.00 C ATOM 0 H LEU A 58 -4.786 9.436 1.671 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.403 10.675 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.956 10.979 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.790 12.379 1.393 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.718 12.986 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.615 12.078 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.331 10.826 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.905 10.921 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.057 14.038 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.441 13.009 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.816 14.204 -0.150 1.00 0.00 H new ATOM 1002 N ALA A 59 -3.735 12.022 3.758 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.415 12.776 4.958 1.00 0.00 C ATOM 1004 C ALA A 59 -2.223 12.126 5.662 1.00 0.00 C ATOM 1005 O ALA A 59 -1.275 12.809 6.044 1.00 0.00 O ATOM 1006 CB ALA A 59 -4.652 12.854 5.856 1.00 0.00 C ATOM 0 H ALA A 59 -4.722 11.788 3.652 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.130 13.797 4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.413 13.420 6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.460 13.351 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.965 11.847 6.132 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.310 10.812 5.813 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.250 10.062 6.464 1.00 0.00 C ATOM 1014 C LEU A 60 0.088 10.397 5.802 1.00 0.00 C ATOM 1015 O LEU A 60 1.084 10.624 6.487 1.00 0.00 O ATOM 1016 CB LEU A 60 -1.577 8.567 6.468 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.179 8.015 7.762 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -2.973 6.735 7.495 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.099 7.809 8.826 1.00 0.00 C ATOM 0 H LEU A 60 -3.098 10.248 5.495 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.168 10.350 7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.272 8.365 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.662 8.015 6.252 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.880 8.752 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.390 6.364 8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.782 6.948 6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.313 5.980 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.554 7.416 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.356 7.102 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.617 8.762 9.044 1.00 0.00 H new ATOM 1031 N ILE A 61 0.067 10.418 4.478 1.00 0.00 N ATOM 1032 CA ILE A 61 1.266 10.722 3.715 1.00 0.00 C ATOM 1033 C ILE A 61 1.785 12.104 4.119 1.00 0.00 C ATOM 1034 O ILE A 61 2.938 12.244 4.525 1.00 0.00 O ATOM 1035 CB ILE A 61 0.998 10.579 2.216 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.464 9.185 1.885 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.247 10.923 1.401 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.550 8.123 2.070 1.00 0.00 C ATOM 0 H ILE A 61 -0.761 10.229 3.914 1.00 0.00 H new ATOM 0 HA ILE A 61 2.055 10.006 3.943 1.00 0.00 H new ATOM 0 HB ILE A 61 0.224 11.294 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.387 8.956 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.102 9.165 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.030 10.813 0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.544 11.952 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.058 10.249 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.144 7.141 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.389 8.341 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.892 8.129 3.105 1.00 0.00 H new ATOM 1050 N ASN A 62 0.909 13.090 3.992 1.00 0.00 N ATOM 1051 CA ASN A 62 1.264 14.455 4.339 1.00 0.00 C ATOM 1052 C ASN A 62 1.695 14.509 5.806 1.00 0.00 C ATOM 1053 O ASN A 62 2.558 15.305 6.174 1.00 0.00 O ATOM 1054 CB ASN A 62 0.071 15.397 4.161 1.00 0.00 C ATOM 1055 CG ASN A 62 0.165 16.158 2.838 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.806 17.190 2.730 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -0.509 15.593 1.840 1.00 0.00 N ATOM 0 H ASN A 62 -0.046 12.970 3.654 1.00 0.00 H new ATOM 0 HA ASN A 62 2.074 14.770 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.856 14.825 4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.035 16.104 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.509 16.025 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.025 14.728 1.999 1.00 0.00 H new ATOM 1064 N GLY A 63 1.074 13.653 6.604 1.00 0.00 N ATOM 1065 CA GLY A 63 1.383 13.593 8.022 1.00 0.00 C ATOM 1066 C GLY A 63 0.177 14.016 8.864 1.00 0.00 C ATOM 1067 O GLY A 63 0.336 14.495 9.986 1.00 0.00 O ATOM 0 H GLY A 63 0.358 12.995 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.681 12.579 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.230 14.243 8.241 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.001 13.824 8.290 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.233 14.180 8.973 1.00 0.00 C ATOM 1073 C HIS A 64 -2.624 13.062 9.942 1.00 0.00 C ATOM 1074 O HIS A 64 -2.284 13.112 11.123 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.339 14.505 7.967 1.00 0.00 C ATOM 1076 CG HIS A 64 -3.734 15.962 7.939 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -4.508 16.510 6.931 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -3.456 16.978 8.805 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -4.681 17.798 7.188 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -4.027 18.087 8.350 1.00 0.00 N ATOM 0 H HIS A 64 -1.129 13.426 7.359 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.078 15.086 9.560 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.009 14.209 6.971 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.218 13.905 8.202 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.870 16.895 9.709 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.241 18.496 6.584 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.984 19.004 8.796 1.00 0.00 H new ATOM 1088 N SER A 65 -3.333 12.079 9.406 1.00 0.00 N ATOM 1089 CA SER A 65 -3.774 10.951 10.208 1.00 0.00 C ATOM 1090 C SER A 65 -2.568 10.266 10.855 1.00 0.00 C ATOM 1091 O SER A 65 -1.425 10.534 10.486 1.00 0.00 O ATOM 1092 CB SER A 65 -4.563 9.949 9.363 1.00 0.00 C ATOM 1093 OG SER A 65 -5.968 10.060 9.577 1.00 0.00 O ATOM 0 H SER A 65 -3.613 12.041 8.426 1.00 0.00 H new ATOM 0 HA SER A 65 -4.435 11.325 10.990 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.343 10.112 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.238 8.937 9.604 1.00 0.00 H new ATOM 0 HG SER A 65 -6.437 9.405 9.019 1.00 0.00 H new ATOM 1099 N GLU A 66 -2.863 9.393 11.807 1.00 0.00 N ATOM 1100 CA GLU A 66 -1.818 8.668 12.508 1.00 0.00 C ATOM 1101 C GLU A 66 -2.040 7.159 12.378 1.00 0.00 C ATOM 1102 O GLU A 66 -3.104 6.720 11.944 1.00 0.00 O ATOM 1103 CB GLU A 66 -1.750 9.087 13.978 1.00 0.00 C ATOM 1104 CG GLU A 66 -0.857 10.316 14.157 1.00 0.00 C ATOM 1105 CD GLU A 66 -1.640 11.606 13.901 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -2.761 11.761 14.408 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -1.044 12.465 13.146 1.00 0.00 O ATOM 0 H GLU A 66 -3.812 9.172 12.109 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.861 8.916 12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.753 9.305 14.344 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.364 8.262 14.577 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.449 10.329 15.168 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.011 10.258 13.472 1.00 0.00 H new ATOM 1115 N THR A 67 -1.019 6.408 12.762 1.00 0.00 N ATOM 1116 CA THR A 67 -1.089 4.958 12.694 1.00 0.00 C ATOM 1117 C THR A 67 -0.747 4.343 14.053 1.00 0.00 C ATOM 1118 O THR A 67 0.342 4.563 14.581 1.00 0.00 O ATOM 1119 CB THR A 67 -0.165 4.493 11.567 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.618 3.175 11.269 1.00 0.00 O ATOM 1121 CG2 THR A 67 1.277 4.293 12.037 1.00 0.00 C ATOM 0 H THR A 67 -0.138 6.776 13.121 1.00 0.00 H new ATOM 0 HA THR A 67 -2.100 4.621 12.465 1.00 0.00 H new ATOM 0 HB THR A 67 -0.185 5.222 10.757 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.605 3.036 10.299 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.890 3.963 11.199 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.667 5.234 12.424 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.302 3.539 12.824 1.00 0.00 H new ATOM 1129 N ASP A 68 -1.698 3.586 14.579 1.00 0.00 N ATOM 1130 CA ASP A 68 -1.511 2.937 15.866 1.00 0.00 C ATOM 1131 C ASP A 68 -0.920 1.543 15.649 1.00 0.00 C ATOM 1132 O ASP A 68 -1.226 0.612 16.392 1.00 0.00 O ATOM 1133 CB ASP A 68 -2.844 2.776 16.600 1.00 0.00 C ATOM 1134 CG ASP A 68 -2.811 3.136 18.087 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.091 4.281 18.473 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -2.477 2.171 18.875 1.00 0.00 O ATOM 0 H ASP A 68 -2.600 3.407 14.138 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.843 3.558 16.463 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.590 3.399 16.107 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.175 1.742 16.499 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.082 1.443 14.628 1.00 0.00 N ATOM 1143 CA LYS A 69 0.555 0.178 14.303 1.00 0.00 C ATOM 1144 C LYS A 69 1.995 0.438 13.854 1.00 0.00 C ATOM 1145 O LYS A 69 2.223 1.082 12.832 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.278 -0.595 13.280 1.00 0.00 C ATOM 1147 CG LYS A 69 -1.690 -0.858 13.809 1.00 0.00 C ATOM 1148 CD LYS A 69 -1.677 -1.940 14.891 1.00 0.00 C ATOM 1149 CE LYS A 69 -3.063 -2.566 15.056 1.00 0.00 C ATOM 1150 NZ LYS A 69 -3.056 -3.555 16.157 1.00 0.00 N ATOM 0 H LYS A 69 0.171 2.218 14.015 1.00 0.00 H new ATOM 0 HA LYS A 69 0.606 -0.461 15.185 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.334 -0.030 12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.210 -1.542 13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.107 0.063 14.216 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.338 -1.167 12.989 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.954 -2.712 14.629 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.354 -1.508 15.838 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.798 -1.788 15.263 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.363 -3.050 14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.004 -3.971 16.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.369 -4.306 15.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.790 -3.084 17.045 1.00 0.00 H new ATOM 1163 N GLY A 70 2.928 -0.077 14.641 1.00 0.00 N ATOM 1164 CA GLY A 70 4.339 0.091 14.338 1.00 0.00 C ATOM 1165 C GLY A 70 4.736 -0.726 13.107 1.00 0.00 C ATOM 1166 O GLY A 70 5.853 -0.600 12.607 1.00 0.00 O ATOM 0 H GLY A 70 2.734 -0.611 15.488 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.554 1.145 14.164 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.938 -0.220 15.194 1.00 0.00 H new ATOM 1170 N HIS A 71 3.799 -1.546 12.653 1.00 0.00 N ATOM 1171 CA HIS A 71 4.037 -2.384 11.490 1.00 0.00 C ATOM 1172 C HIS A 71 3.637 -1.628 10.222 1.00 0.00 C ATOM 1173 O HIS A 71 3.814 -2.130 9.113 1.00 0.00 O ATOM 1174 CB HIS A 71 3.318 -3.727 11.632 1.00 0.00 C ATOM 1175 CG HIS A 71 4.039 -4.721 12.510 1.00 0.00 C ATOM 1176 ND1 HIS A 71 4.738 -5.802 12.000 1.00 0.00 N ATOM 1177 CD2 HIS A 71 4.165 -4.786 13.866 1.00 0.00 C ATOM 1178 CE1 HIS A 71 5.255 -6.481 13.014 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.898 -5.850 14.169 1.00 0.00 N ATOM 0 H HIS A 71 2.874 -1.648 13.070 1.00 0.00 H new ATOM 0 HA HIS A 71 5.100 -2.613 11.414 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.322 -3.553 12.040 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.185 -4.162 10.642 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.740 -4.090 14.574 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.854 -7.377 12.939 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.153 -6.147 15.111 1.00 0.00 H new ATOM 1187 N LEU A 72 3.105 -0.432 10.428 1.00 0.00 N ATOM 1188 CA LEU A 72 2.678 0.399 9.315 1.00 0.00 C ATOM 1189 C LEU A 72 3.621 1.597 9.187 1.00 0.00 C ATOM 1190 O LEU A 72 3.952 2.016 8.079 1.00 0.00 O ATOM 1191 CB LEU A 72 1.207 0.788 9.470 1.00 0.00 C ATOM 1192 CG LEU A 72 0.232 -0.363 9.727 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.149 0.166 10.121 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.163 -1.302 8.521 1.00 0.00 C ATOM 0 H LEU A 72 2.960 -0.019 11.349 1.00 0.00 H new ATOM 0 HA LEU A 72 2.740 -0.157 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.124 1.498 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.892 1.309 8.566 1.00 0.00 H new ATOM 0 HG LEU A 72 0.606 -0.946 10.569 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.823 -0.672 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.065 0.762 11.030 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.544 0.786 9.316 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.537 -2.111 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.175 -0.746 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.152 -1.718 8.327 1.00 0.00 H new ATOM 1206 N ILE A 73 4.028 2.115 10.337 1.00 0.00 N ATOM 1207 CA ILE A 73 4.926 3.256 10.368 1.00 0.00 C ATOM 1208 C ILE A 73 6.025 3.064 9.321 1.00 0.00 C ATOM 1209 O ILE A 73 6.298 3.965 8.530 1.00 0.00 O ATOM 1210 CB ILE A 73 5.459 3.480 11.785 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.534 4.404 12.579 1.00 0.00 C ATOM 1212 CG2 ILE A 73 6.899 3.998 11.753 1.00 0.00 C ATOM 1213 CD1 ILE A 73 5.290 5.086 13.722 1.00 0.00 C ATOM 0 H ILE A 73 3.752 1.765 11.254 1.00 0.00 H new ATOM 0 HA ILE A 73 4.391 4.169 10.105 1.00 0.00 H new ATOM 0 HB ILE A 73 5.474 2.520 12.301 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.112 5.159 11.916 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.699 3.830 12.982 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.254 4.149 12.772 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.536 3.270 11.251 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.933 4.944 11.213 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.610 5.737 14.271 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.690 4.329 14.396 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.109 5.678 13.314 1.00 0.00 H new ATOM 1225 N PRO A 74 6.641 1.852 9.350 1.00 0.00 N ATOM 1226 CA PRO A 74 7.704 1.530 8.413 1.00 0.00 C ATOM 1227 C PRO A 74 7.139 1.247 7.020 1.00 0.00 C ATOM 1228 O PRO A 74 7.619 1.795 6.029 1.00 0.00 O ATOM 1229 CB PRO A 74 8.414 0.331 9.021 1.00 0.00 C ATOM 1230 CG PRO A 74 7.444 -0.260 10.031 1.00 0.00 C ATOM 1231 CD PRO A 74 6.344 0.760 10.273 1.00 0.00 C ATOM 0 HA PRO A 74 8.400 2.356 8.266 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.673 -0.399 8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.345 0.631 9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.024 -1.193 9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.959 -0.494 10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.360 0.334 10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.344 1.105 11.307 1.00 0.00 H new ATOM 1239 N MET A 75 6.127 0.392 6.988 1.00 0.00 N ATOM 1240 CA MET A 75 5.492 0.030 5.733 1.00 0.00 C ATOM 1241 C MET A 75 4.964 1.270 5.008 1.00 0.00 C ATOM 1242 O MET A 75 4.805 1.260 3.788 1.00 0.00 O ATOM 1243 CB MET A 75 4.335 -0.933 6.005 1.00 0.00 C ATOM 1244 CG MET A 75 4.830 -2.199 6.707 1.00 0.00 C ATOM 1245 SD MET A 75 5.855 -3.151 5.598 1.00 0.00 S ATOM 1246 CE MET A 75 7.362 -3.221 6.553 1.00 0.00 C ATOM 0 H MET A 75 5.731 -0.061 7.812 1.00 0.00 H new ATOM 0 HA MET A 75 6.235 -0.451 5.097 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.584 -0.440 6.623 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.850 -1.199 5.066 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.396 -1.932 7.600 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.981 -2.798 7.035 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.116 -3.785 6.003 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.726 -2.209 6.734 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.166 -3.712 7.506 1.00 0.00 H new ATOM 1256 N LEU A 76 4.707 2.309 5.790 1.00 0.00 N ATOM 1257 CA LEU A 76 4.201 3.554 5.237 1.00 0.00 C ATOM 1258 C LEU A 76 5.343 4.303 4.548 1.00 0.00 C ATOM 1259 O LEU A 76 5.115 5.049 3.597 1.00 0.00 O ATOM 1260 CB LEU A 76 3.494 4.372 6.320 1.00 0.00 C ATOM 1261 CG LEU A 76 1.970 4.249 6.366 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.383 5.115 7.483 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.352 4.575 5.005 1.00 0.00 C ATOM 0 H LEU A 76 4.840 2.314 6.801 1.00 0.00 H new ATOM 0 HA LEU A 76 3.446 3.354 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.892 4.074 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.750 5.422 6.179 1.00 0.00 H new ATOM 0 HG LEU A 76 1.718 3.213 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.298 5.009 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.788 4.795 8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.644 6.159 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.268 4.480 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.612 5.595 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.736 3.882 4.256 1.00 0.00 H new ATOM 1275 N GLU A 77 6.546 4.077 5.054 1.00 0.00 N ATOM 1276 CA GLU A 77 7.724 4.722 4.498 1.00 0.00 C ATOM 1277 C GLU A 77 7.978 4.225 3.073 1.00 0.00 C ATOM 1278 O GLU A 77 8.161 5.025 2.157 1.00 0.00 O ATOM 1279 CB GLU A 77 8.947 4.487 5.387 1.00 0.00 C ATOM 1280 CG GLU A 77 9.212 5.697 6.286 1.00 0.00 C ATOM 1281 CD GLU A 77 10.043 6.753 5.555 1.00 0.00 C ATOM 1282 OE1 GLU A 77 9.644 7.926 5.498 1.00 0.00 O ATOM 1283 OE2 GLU A 77 11.140 6.319 5.034 1.00 0.00 O ATOM 0 H GLU A 77 6.731 3.457 5.842 1.00 0.00 H new ATOM 0 HA GLU A 77 7.544 5.796 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.790 3.601 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.821 4.293 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.265 6.132 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.735 5.377 7.187 1.00 0.00 H new ATOM 1291 N LYS A 78 7.982 2.908 2.931 1.00 0.00 N ATOM 1292 CA LYS A 78 8.210 2.296 1.634 1.00 0.00 C ATOM 1293 C LYS A 78 7.084 2.699 0.679 1.00 0.00 C ATOM 1294 O LYS A 78 7.313 2.877 -0.516 1.00 0.00 O ATOM 1295 CB LYS A 78 8.382 0.782 1.778 1.00 0.00 C ATOM 1296 CG LYS A 78 7.094 0.130 2.284 1.00 0.00 C ATOM 1297 CD LYS A 78 6.748 -1.112 1.459 1.00 0.00 C ATOM 1298 CE LYS A 78 7.763 -2.231 1.702 1.00 0.00 C ATOM 1299 NZ LYS A 78 7.076 -3.536 1.823 1.00 0.00 N ATOM 0 H LYS A 78 7.831 2.248 3.693 1.00 0.00 H new ATOM 0 HA LYS A 78 9.142 2.659 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.659 0.351 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.198 0.569 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.209 -0.146 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.274 0.846 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.748 -1.460 1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.730 -0.856 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.479 -2.265 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.329 -2.026 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.759 -4.304 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.667 -3.626 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.318 -3.596 1.114 1.00 0.00 H new ATOM 1312 N ILE A 79 5.893 2.830 1.243 1.00 0.00 N ATOM 1313 CA ILE A 79 4.731 3.208 0.457 1.00 0.00 C ATOM 1314 C ILE A 79 4.860 4.674 0.037 1.00 0.00 C ATOM 1315 O ILE A 79 4.706 5.003 -1.139 1.00 0.00 O ATOM 1316 CB ILE A 79 3.442 2.899 1.222 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.297 1.396 1.466 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.224 3.484 0.504 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.310 1.117 2.602 1.00 0.00 C ATOM 0 H ILE A 79 5.707 2.681 2.235 1.00 0.00 H new ATOM 0 HA ILE A 79 4.681 2.617 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 79 3.501 3.380 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.955 0.907 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.269 0.968 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.322 3.250 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.333 4.566 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.149 3.054 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.226 0.041 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.668 1.587 3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.333 1.524 2.343 1.00 0.00 H new ATOM 1331 N ARG A 80 5.141 5.516 1.020 1.00 0.00 N ATOM 1332 CA ARG A 80 5.292 6.939 0.768 1.00 0.00 C ATOM 1333 C ARG A 80 6.374 7.178 -0.288 1.00 0.00 C ATOM 1334 O ARG A 80 6.391 8.222 -0.938 1.00 0.00 O ATOM 1335 CB ARG A 80 5.664 7.689 2.048 1.00 0.00 C ATOM 1336 CG ARG A 80 7.172 7.938 2.119 1.00 0.00 C ATOM 1337 CD ARG A 80 7.641 8.054 3.571 1.00 0.00 C ATOM 1338 NE ARG A 80 8.129 9.426 3.838 1.00 0.00 N ATOM 1339 CZ ARG A 80 7.342 10.442 4.250 1.00 0.00 C ATOM 1340 NH1 ARG A 80 6.020 10.249 4.448 1.00 0.00 N ATOM 1341 NH2 ARG A 80 7.884 11.628 4.457 1.00 0.00 N ATOM 0 H ARG A 80 5.268 5.240 1.994 1.00 0.00 H new ATOM 0 HA ARG A 80 4.335 7.315 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.133 8.640 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.346 7.113 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.702 7.123 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.419 8.852 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.821 7.813 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.435 7.333 3.764 1.00 0.00 H new ATOM 0 HE ARG A 80 9.122 9.615 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.609 9.330 4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.433 11.023 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.883 11.766 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.303 12.407 4.768 1.00 0.00 H new ATOM 1354 N ARG A 81 7.250 6.194 -0.425 1.00 0.00 N ATOM 1355 CA ARG A 81 8.332 6.284 -1.391 1.00 0.00 C ATOM 1356 C ARG A 81 7.773 6.537 -2.793 1.00 0.00 C ATOM 1357 O ARG A 81 7.986 7.603 -3.367 1.00 0.00 O ATOM 1358 CB ARG A 81 9.166 5.002 -1.405 1.00 0.00 C ATOM 1359 CG ARG A 81 10.655 5.318 -1.556 1.00 0.00 C ATOM 1360 CD ARG A 81 11.265 4.541 -2.725 1.00 0.00 C ATOM 1361 NE ARG A 81 12.459 5.251 -3.236 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.276 4.764 -4.194 1.00 0.00 C ATOM 1363 NH1 ARG A 81 13.034 3.559 -4.754 1.00 0.00 N ATOM 1364 NH2 ARG A 81 14.315 5.483 -4.575 1.00 0.00 N ATOM 0 H ARG A 81 7.233 5.330 0.117 1.00 0.00 H new ATOM 0 HA ARG A 81 8.971 7.116 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.000 4.446 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.841 4.362 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.789 6.388 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.179 5.066 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.539 3.537 -2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.529 4.429 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 81 12.678 6.165 -2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.229 3.010 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.656 3.199 -5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.491 6.392 -4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.942 5.130 -5.298 1.00 0.00 H new ATOM 1377 N ALA A 82 7.068 5.537 -3.303 1.00 0.00 N ATOM 1378 CA ALA A 82 6.477 5.637 -4.626 1.00 0.00 C ATOM 1379 C ALA A 82 5.447 6.769 -4.635 1.00 0.00 C ATOM 1380 O ALA A 82 5.334 7.502 -5.616 1.00 0.00 O ATOM 1381 CB ALA A 82 5.866 4.290 -5.016 1.00 0.00 C ATOM 0 H ALA A 82 6.893 4.654 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 82 7.238 5.877 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.423 4.365 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.644 3.526 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.096 4.017 -4.294 1.00 0.00 H new TER 1387 ALA A 82