USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 834 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 84 ASN :FLIP amide:sc= -0.191 F(o=-0.37,f=0.55) USER MOD Set 1.2: A 86 TYR OH : rot -38:sc= 0.745 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 149:sc= 1.57 (180deg=-0.0475) USER MOD Set 2.2: A 69 TYR OH : rot 30:sc= 0.235 USER MOD Set 3.1: A 24 HIS : no HE2:sc= 1.04 K(o=2.3,f=-7.9!) USER MOD Set 3.2: A 50 TYR OH : rot -166:sc= 1.26 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 6 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.6) USER MOD Single : A 9 HIS : no HE2:sc= -0.275 K(o=-0.27,f=-12!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 15 ASN : amide:sc=-0.00829 X(o=-0.0083,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00508) USER MOD Single : A 17 LYS NZ :NH3+ -151:sc= -0.0538 (180deg=-0.377) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00827 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -68:sc= 0.768 USER MOD Single : A 31 ASN : amide:sc=-0.00626 X(o=-0.0063,f=-0.42) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 1.17 K(o=1.2,f=-0.021) USER MOD Single : A 35 MET CE :methyl -145:sc= -0.107 (180deg=-2.85!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.0536 (180deg=-0.316) USER MOD Single : A 43 SER OG : rot 90:sc= 0.63 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.658 X(o=-0.66,f=-0.54) USER MOD Single : A 52 SER OG : rot 85:sc= 1.36 USER MOD Single : A 57 SER OG : rot -60:sc= 1.34 USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.835) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.791 USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= -0.0734 (180deg=-0.347) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= -0.0811 (180deg=-0.542) USER MOD Single : A 72 LYS NZ :NH3+ 136:sc= 1.23 (180deg=0.931) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.33) USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= 0.935 (180deg=-0.932) USER MOD Single : A 81 SER OG : rot -106:sc= 0.0727 USER MOD Single : A 89 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.018) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0.811) USER MOD Single : A 96 MET CE :methyl 168:sc= -0.559 (180deg=-0.618) USER MOD Single : A 97 ASN : amide:sc= -0.0833 K(o=-0.083,f=-1.7!) USER MOD Single : A 98 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 104 SER OG : rot 71:sc= 1.24 USER MOD Single : A 105 SER OG : rot 73:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.892 -11.847 -17.952 1.00 1.74 N ATOM 2 CA MET A 1 -10.347 -12.443 -16.663 1.00 1.02 C ATOM 3 C MET A 1 -10.200 -11.433 -15.517 1.00 0.87 C ATOM 4 O MET A 1 -11.127 -11.259 -14.724 1.00 1.29 O ATOM 5 CB MET A 1 -9.571 -13.731 -16.324 1.00 1.60 C ATOM 6 CG MET A 1 -10.174 -14.952 -17.015 1.00 2.33 C ATOM 7 SD MET A 1 -11.833 -15.336 -16.420 1.00 3.31 S ATOM 8 CE MET A 1 -12.454 -16.360 -17.765 1.00 4.33 C ATOM 0 H1 MET A 1 -9.999 -12.546 -18.715 1.00 1.74 H new ATOM 0 H2 MET A 1 -10.467 -11.007 -18.168 1.00 1.74 H new ATOM 0 H3 MET A 1 -8.892 -11.571 -17.873 1.00 1.74 H new ATOM 0 HA MET A 1 -11.399 -12.702 -16.782 1.00 1.02 H new ATOM 0 HB2 MET A 1 -8.530 -13.619 -16.626 1.00 1.60 H new ATOM 0 HB3 MET A 1 -9.575 -13.885 -15.245 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.209 -14.776 -18.090 1.00 2.33 H new ATOM 0 HG3 MET A 1 -9.526 -15.813 -16.854 1.00 2.33 H new ATOM 0 HE1 MET A 1 -13.473 -16.676 -17.541 1.00 4.33 H new ATOM 0 HE2 MET A 1 -12.447 -15.787 -18.692 1.00 4.33 H new ATOM 0 HE3 MET A 1 -11.818 -17.238 -17.877 1.00 4.33 H new ATOM 20 N GLU A 2 -9.029 -10.788 -15.417 1.00 0.51 N ATOM 21 CA GLU A 2 -8.752 -9.814 -14.348 1.00 0.37 C ATOM 22 C GLU A 2 -8.233 -8.495 -14.922 1.00 0.34 C ATOM 23 O GLU A 2 -7.501 -8.477 -15.917 1.00 0.48 O ATOM 24 CB GLU A 2 -7.704 -10.368 -13.370 1.00 0.53 C ATOM 25 CG GLU A 2 -7.962 -11.836 -12.990 1.00 0.96 C ATOM 26 CD GLU A 2 -7.022 -12.765 -13.750 1.00 1.61 C ATOM 27 OE1 GLU A 2 -6.839 -12.565 -14.969 1.00 2.16 O ATOM 28 OE2 GLU A 2 -6.478 -13.705 -13.138 1.00 2.09 O ATOM 0 H GLU A 2 -8.254 -10.923 -16.066 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.691 -9.634 -13.824 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.714 -10.282 -13.818 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.699 -9.759 -12.466 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.823 -11.969 -11.917 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.997 -12.097 -13.212 1.00 0.96 H new ATOM 35 N GLY A 3 -8.591 -7.398 -14.259 1.00 0.25 N ATOM 36 CA GLY A 3 -8.156 -6.053 -14.649 1.00 0.28 C ATOM 37 C GLY A 3 -9.082 -4.990 -14.056 1.00 0.22 C ATOM 38 O GLY A 3 -9.968 -5.301 -13.249 1.00 0.22 O ATOM 0 H GLY A 3 -9.192 -7.413 -13.435 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.135 -5.883 -14.308 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.148 -5.969 -15.736 1.00 0.28 H new ATOM 42 N PHE A 4 -8.879 -3.734 -14.453 1.00 0.24 N ATOM 43 CA PHE A 4 -9.695 -2.617 -13.959 1.00 0.21 C ATOM 44 C PHE A 4 -10.966 -2.467 -14.791 1.00 0.22 C ATOM 45 O PHE A 4 -10.979 -2.768 -15.986 1.00 0.27 O ATOM 46 CB PHE A 4 -8.893 -1.312 -13.989 1.00 0.23 C ATOM 47 CG PHE A 4 -8.014 -1.148 -12.772 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.584 -0.803 -11.557 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.646 -1.353 -12.859 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.789 -0.660 -10.435 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.852 -1.208 -11.736 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.424 -0.861 -10.522 1.00 0.41 C ATOM 0 H PHE A 4 -8.155 -3.461 -15.117 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.977 -2.834 -12.929 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.274 -1.289 -14.886 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.580 -0.468 -14.054 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.650 -0.646 -11.486 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.200 -1.626 -13.804 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.235 -0.391 -9.489 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.786 -1.365 -11.805 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.804 -0.748 -9.645 1.00 0.41 H new ATOM 62 N LEU A 5 -12.025 -1.996 -14.146 1.00 0.19 N ATOM 63 CA LEU A 5 -13.318 -1.792 -14.794 1.00 0.21 C ATOM 64 C LEU A 5 -14.077 -0.664 -14.099 1.00 0.20 C ATOM 65 O LEU A 5 -14.035 -0.538 -12.870 1.00 0.21 O ATOM 66 CB LEU A 5 -14.162 -3.080 -14.715 1.00 0.23 C ATOM 67 CG LEU A 5 -14.013 -3.969 -15.959 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.822 -5.257 -15.787 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.448 -3.230 -17.227 1.00 0.31 C ATOM 0 H LEU A 5 -12.014 -1.744 -13.158 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.143 -1.532 -15.838 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.868 -3.647 -13.832 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.211 -2.814 -14.588 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.959 -4.224 -16.068 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.709 -5.879 -16.675 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.460 -5.801 -14.914 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.875 -5.010 -15.649 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.330 -3.886 -18.089 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.493 -2.935 -17.136 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.831 -2.342 -17.360 1.00 0.31 H new ATOM 81 N ASN A 6 -14.812 0.121 -14.882 1.00 0.22 N ATOM 82 CA ASN A 6 -15.642 1.201 -14.336 1.00 0.23 C ATOM 83 C ASN A 6 -16.952 0.561 -13.913 1.00 0.22 C ATOM 84 O ASN A 6 -17.649 -0.005 -14.747 1.00 0.26 O ATOM 85 CB ASN A 6 -15.907 2.303 -15.370 1.00 0.28 C ATOM 86 CG ASN A 6 -14.608 2.911 -15.907 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.764 2.218 -16.474 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.448 4.212 -15.732 1.00 1.24 N ATOM 0 H ASN A 6 -14.853 0.033 -15.897 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.130 1.679 -13.501 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.484 1.892 -16.198 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.514 3.087 -14.917 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.604 4.672 -16.072 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.169 4.755 -15.257 1.00 1.24 H new ATOM 95 N ARG A 7 -17.259 0.591 -12.624 1.00 0.23 N ATOM 96 CA ARG A 7 -18.471 -0.049 -12.108 1.00 0.24 C ATOM 97 C ARG A 7 -19.537 0.980 -11.731 1.00 0.25 C ATOM 98 O ARG A 7 -19.300 1.872 -10.913 1.00 0.32 O ATOM 99 CB ARG A 7 -18.106 -0.900 -10.880 1.00 0.28 C ATOM 100 CG ARG A 7 -19.301 -1.713 -10.366 1.00 0.34 C ATOM 101 CD ARG A 7 -18.853 -2.847 -9.428 1.00 0.54 C ATOM 102 NE ARG A 7 -19.506 -2.747 -8.116 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.388 -3.712 -7.202 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.077 -4.836 -7.331 1.00 1.46 N ATOM 105 NH2 ARG A 7 -18.587 -3.549 -6.163 1.00 1.71 N ATOM 0 H ARG A 7 -16.689 1.050 -11.913 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.888 -0.680 -12.893 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.291 -1.577 -11.138 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.741 -0.250 -10.085 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.990 -1.054 -9.838 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.846 -2.133 -11.211 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.088 -3.810 -9.881 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.771 -2.810 -9.301 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.063 -1.920 -7.899 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -20.698 -4.964 -8.130 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -19.986 -5.573 -6.632 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -18.057 -2.684 -6.058 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -18.499 -4.288 -5.466 1.00 1.71 H new ATOM 119 N LYS A 8 -20.722 0.816 -12.315 1.00 0.27 N ATOM 120 CA LYS A 8 -21.881 1.668 -12.047 1.00 0.29 C ATOM 121 C LYS A 8 -23.088 0.760 -11.873 1.00 0.29 C ATOM 122 O LYS A 8 -23.591 0.184 -12.840 1.00 0.38 O ATOM 123 CB LYS A 8 -22.106 2.664 -13.189 1.00 0.36 C ATOM 124 CG LYS A 8 -23.327 3.570 -12.947 1.00 0.37 C ATOM 125 CD LYS A 8 -24.463 3.273 -13.933 1.00 0.50 C ATOM 126 CE LYS A 8 -25.834 3.612 -13.332 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.805 4.051 -14.381 1.00 1.02 N ATOM 0 H LYS A 8 -20.908 0.079 -12.996 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.716 2.255 -11.144 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.216 3.282 -13.308 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.242 2.118 -14.122 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.686 3.431 -11.927 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.029 4.614 -13.041 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.313 3.849 -14.846 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.438 2.220 -14.212 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.229 2.739 -12.813 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.720 4.401 -12.588 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.768 3.776 -14.100 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.758 5.084 -14.487 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.566 3.599 -15.286 1.00 1.02 H new ATOM 141 N HIS A 9 -23.520 0.601 -10.634 1.00 0.43 N ATOM 142 CA HIS A 9 -24.643 -0.275 -10.317 1.00 0.52 C ATOM 143 C HIS A 9 -25.986 0.410 -10.584 1.00 0.58 C ATOM 144 O HIS A 9 -26.280 1.475 -10.046 1.00 0.73 O ATOM 145 CB HIS A 9 -24.555 -0.776 -8.861 1.00 0.68 C ATOM 146 CG HIS A 9 -24.331 0.290 -7.822 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.162 0.006 -6.492 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.243 1.645 -7.899 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.984 1.094 -5.795 1.00 1.69 C ATOM 150 NE2 HIS A 9 -24.030 2.123 -6.622 1.00 1.75 N ATOM 0 H HIS A 9 -23.110 1.068 -9.825 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.583 -1.140 -10.978 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.477 -1.305 -8.621 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.744 -1.501 -8.793 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.174 -0.935 -6.098 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.325 2.239 -8.797 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.826 1.145 -4.728 1.00 1.69 H new ATOM 158 N GLU A 10 -26.801 -0.232 -11.417 1.00 0.60 N ATOM 159 CA GLU A 10 -28.128 0.263 -11.768 1.00 0.73 C ATOM 160 C GLU A 10 -29.125 -0.196 -10.710 1.00 0.83 C ATOM 161 O GLU A 10 -29.857 0.605 -10.126 1.00 1.00 O ATOM 162 CB GLU A 10 -28.532 -0.293 -13.146 1.00 0.79 C ATOM 163 CG GLU A 10 -28.172 0.665 -14.283 1.00 1.28 C ATOM 164 CD GLU A 10 -29.237 1.742 -14.414 1.00 1.19 C ATOM 165 OE1 GLU A 10 -30.220 1.533 -15.153 1.00 1.72 O ATOM 166 OE2 GLU A 10 -29.101 2.796 -13.760 1.00 1.52 O ATOM 0 H GLU A 10 -26.558 -1.114 -11.869 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.120 1.352 -11.811 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.037 -1.250 -13.309 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.605 -0.483 -13.159 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -27.202 1.123 -14.090 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.084 0.114 -15.219 1.00 1.28 H new ATOM 173 N TRP A 11 -29.130 -1.502 -10.479 1.00 0.82 N ATOM 174 CA TRP A 11 -30.010 -2.143 -9.513 1.00 0.96 C ATOM 175 C TRP A 11 -29.170 -3.026 -8.586 1.00 0.94 C ATOM 176 O TRP A 11 -28.635 -4.056 -9.008 1.00 0.84 O ATOM 177 CB TRP A 11 -31.047 -2.971 -10.288 1.00 1.08 C ATOM 178 CG TRP A 11 -32.087 -3.644 -9.433 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.144 -3.060 -8.787 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.164 -5.053 -9.143 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.850 -4.034 -8.133 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.282 -5.256 -8.329 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.394 -6.159 -9.504 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.636 -6.516 -7.871 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.737 -7.418 -9.049 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.850 -7.597 -8.243 1.00 1.53 C ATOM 0 H TRP A 11 -28.514 -2.154 -10.964 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.531 -1.408 -8.900 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.551 -2.319 -11.002 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.524 -3.733 -10.866 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.381 -2.006 -8.793 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.687 -3.867 -7.575 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.530 -6.031 -10.139 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.502 -6.652 -7.240 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.132 -8.270 -9.324 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.108 -8.588 -7.901 1.00 1.53 H new ATOM 197 N GLU A 12 -29.063 -2.607 -7.327 1.00 1.16 N ATOM 198 CA GLU A 12 -28.301 -3.338 -6.307 1.00 1.26 C ATOM 199 C GLU A 12 -29.043 -3.258 -4.972 1.00 1.56 C ATOM 200 O GLU A 12 -28.645 -2.527 -4.059 1.00 2.03 O ATOM 201 CB GLU A 12 -26.877 -2.771 -6.173 1.00 1.34 C ATOM 202 CG GLU A 12 -26.004 -3.664 -5.282 1.00 1.63 C ATOM 203 CD GLU A 12 -24.570 -3.153 -5.247 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.353 -2.006 -4.803 1.00 2.09 O ATOM 205 OE2 GLU A 12 -23.657 -3.891 -5.668 1.00 2.05 O ATOM 0 H GLU A 12 -29.500 -1.753 -6.982 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.212 -4.382 -6.608 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.423 -2.684 -7.160 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.921 -1.766 -5.753 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.412 -3.687 -4.271 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -26.021 -4.688 -5.656 1.00 1.63 H new ATOM 212 N ALA A 13 -30.131 -4.011 -4.884 1.00 1.77 N ATOM 213 CA ALA A 13 -30.976 -4.057 -3.694 1.00 2.14 C ATOM 214 C ALA A 13 -32.143 -5.011 -3.948 1.00 2.15 C ATOM 215 O ALA A 13 -32.328 -5.499 -5.067 1.00 2.54 O ATOM 216 CB ALA A 13 -31.497 -2.653 -3.359 1.00 2.70 C ATOM 0 H ALA A 13 -30.456 -4.612 -5.641 1.00 1.77 H new ATOM 0 HA ALA A 13 -30.393 -4.415 -2.846 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -32.126 -2.701 -2.470 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -30.654 -1.987 -3.172 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -32.081 -2.272 -4.197 1.00 2.70 H new ATOM 222 N HIS A 14 -32.929 -5.276 -2.911 1.00 2.38 N ATOM 223 CA HIS A 14 -34.084 -6.178 -3.014 1.00 2.81 C ATOM 224 C HIS A 14 -35.141 -5.602 -3.973 1.00 2.77 C ATOM 225 O HIS A 14 -35.735 -6.339 -4.761 1.00 3.31 O ATOM 226 CB HIS A 14 -34.689 -6.427 -1.623 1.00 3.51 C ATOM 227 CG HIS A 14 -33.711 -7.029 -0.644 1.00 3.99 C ATOM 228 ND1 HIS A 14 -32.874 -8.074 -0.954 1.00 4.73 N ATOM 229 CD2 HIS A 14 -33.414 -6.722 0.647 1.00 4.33 C ATOM 230 CE1 HIS A 14 -32.113 -8.391 0.063 1.00 5.34 C ATOM 231 NE2 HIS A 14 -32.416 -7.583 1.069 1.00 5.13 N ATOM 0 H HIS A 14 -32.791 -4.879 -1.981 1.00 2.38 H new ATOM 0 HA HIS A 14 -33.745 -7.131 -3.420 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -35.059 -5.484 -1.222 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -35.548 -7.091 -1.722 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -33.875 -5.944 1.238 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -31.369 -9.174 0.079 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -31.988 -7.594 1.995 1.00 5.13 H new ATOM 239 N ASN A 15 -35.356 -4.284 -3.911 1.00 2.64 N ATOM 240 CA ASN A 15 -36.327 -3.602 -4.779 1.00 2.83 C ATOM 241 C ASN A 15 -36.070 -2.087 -4.769 1.00 2.48 C ATOM 242 O ASN A 15 -36.972 -1.291 -4.484 1.00 2.96 O ATOM 243 CB ASN A 15 -37.766 -3.920 -4.322 1.00 3.64 C ATOM 244 CG ASN A 15 -38.771 -3.642 -5.444 1.00 4.19 C ATOM 245 OD1 ASN A 15 -39.546 -2.686 -5.379 1.00 4.25 O ATOM 246 ND2 ASN A 15 -38.763 -4.476 -6.472 1.00 4.99 N ATOM 0 H ASN A 15 -34.868 -3.663 -3.265 1.00 2.64 H new ATOM 0 HA ASN A 15 -36.207 -3.963 -5.800 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -37.833 -4.965 -4.019 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -38.015 -3.318 -3.448 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -39.413 -4.338 -7.246 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -38.107 -5.256 -6.490 1.00 4.99 H new ATOM 253 N LYS A 16 -34.832 -1.689 -5.080 1.00 2.30 N ATOM 254 CA LYS A 16 -34.443 -0.269 -5.108 1.00 2.46 C ATOM 255 C LYS A 16 -33.312 -0.036 -6.114 1.00 2.10 C ATOM 256 O LYS A 16 -32.543 -0.949 -6.430 1.00 2.44 O ATOM 257 CB LYS A 16 -33.964 0.171 -3.712 1.00 3.26 C ATOM 258 CG LYS A 16 -35.128 0.523 -2.781 1.00 3.87 C ATOM 259 CD LYS A 16 -34.669 1.478 -1.674 1.00 4.83 C ATOM 260 CE LYS A 16 -35.853 2.127 -0.955 1.00 5.52 C ATOM 261 NZ LYS A 16 -36.682 1.125 -0.236 1.00 6.03 N ATOM 0 H LYS A 16 -34.076 -2.332 -5.318 1.00 2.30 H new ATOM 0 HA LYS A 16 -35.314 0.315 -5.406 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -33.373 -0.628 -3.265 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -33.307 1.035 -3.812 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -35.932 0.984 -3.355 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -35.533 -0.387 -2.338 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -34.061 0.932 -0.953 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -34.035 2.254 -2.103 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -35.485 2.869 -0.247 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -36.471 2.657 -1.679 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -37.454 1.609 0.266 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -37.082 0.451 -0.919 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -36.091 0.613 0.450 1.00 6.03 H new ATOM 275 N LYS A 17 -33.189 1.209 -6.580 1.00 1.88 N ATOM 276 CA LYS A 17 -32.123 1.596 -7.511 1.00 1.62 C ATOM 277 C LYS A 17 -30.873 1.957 -6.703 1.00 1.62 C ATOM 278 O LYS A 17 -30.973 2.422 -5.562 1.00 2.06 O ATOM 279 CB LYS A 17 -32.566 2.786 -8.381 1.00 1.84 C ATOM 280 CG LYS A 17 -32.956 2.343 -9.789 1.00 2.30 C ATOM 281 CD LYS A 17 -34.228 1.488 -9.791 1.00 2.75 C ATOM 282 CE LYS A 17 -34.527 0.934 -11.186 1.00 3.27 C ATOM 283 NZ LYS A 17 -34.416 1.990 -12.232 1.00 3.75 N ATOM 0 H LYS A 17 -33.818 1.971 -6.327 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.901 0.763 -8.178 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -33.412 3.286 -7.910 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -31.757 3.515 -8.440 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.109 3.221 -10.416 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -32.137 1.775 -10.230 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -34.115 0.663 -9.087 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -35.071 2.087 -9.447 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -33.834 0.123 -11.412 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -35.531 0.510 -11.202 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -35.056 1.766 -13.021 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -34.677 2.911 -11.825 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -33.437 2.031 -12.581 1.00 3.75 H new ATOM 297 N ALA A 18 -29.702 1.720 -7.282 1.00 1.43 N ATOM 298 CA ALA A 18 -28.431 1.992 -6.601 1.00 1.61 C ATOM 299 C ALA A 18 -27.749 3.253 -7.137 1.00 1.86 C ATOM 300 O ALA A 18 -27.599 3.431 -8.347 1.00 2.10 O ATOM 301 CB ALA A 18 -27.506 0.787 -6.761 1.00 1.58 C ATOM 0 H ALA A 18 -29.601 1.339 -8.223 1.00 1.43 H new ATOM 0 HA ALA A 18 -28.643 2.165 -5.546 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -26.560 0.985 -6.256 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -27.975 -0.093 -6.321 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.322 0.608 -7.820 1.00 1.58 H new ATOM 307 N SER A 19 -27.328 4.113 -6.209 1.00 2.24 N ATOM 308 CA SER A 19 -26.635 5.369 -6.520 1.00 2.71 C ATOM 309 C SER A 19 -25.516 5.614 -5.491 1.00 2.85 C ATOM 310 O SER A 19 -25.127 6.756 -5.248 1.00 3.33 O ATOM 311 CB SER A 19 -27.629 6.541 -6.502 1.00 3.28 C ATOM 312 OG SER A 19 -28.833 6.208 -7.189 1.00 3.62 O ATOM 0 H SER A 19 -27.459 3.958 -5.209 1.00 2.24 H new ATOM 0 HA SER A 19 -26.197 5.295 -7.516 1.00 2.71 H new ATOM 0 HB2 SER A 19 -27.858 6.811 -5.471 1.00 3.28 H new ATOM 0 HB3 SER A 19 -27.173 7.415 -6.966 1.00 3.28 H new ATOM 0 HG SER A 19 -29.448 6.971 -7.161 1.00 3.62 H new ATOM 318 N SER A 20 -25.018 4.532 -4.877 1.00 2.92 N ATOM 319 CA SER A 20 -23.956 4.612 -3.859 1.00 3.46 C ATOM 320 C SER A 20 -22.577 4.785 -4.514 1.00 3.36 C ATOM 321 O SER A 20 -21.755 5.572 -4.043 1.00 3.74 O ATOM 322 CB SER A 20 -23.971 3.349 -2.972 1.00 4.13 C ATOM 323 OG SER A 20 -25.277 2.775 -2.903 1.00 4.31 O ATOM 0 H SER A 20 -25.336 3.582 -5.069 1.00 2.92 H new ATOM 0 HA SER A 20 -24.148 5.485 -3.236 1.00 3.46 H new ATOM 0 HB2 SER A 20 -23.270 2.615 -3.370 1.00 4.13 H new ATOM 0 HB3 SER A 20 -23.631 3.604 -1.968 1.00 4.13 H new ATOM 0 HG SER A 20 -25.254 1.976 -2.336 1.00 4.31 H new ATOM 329 N ARG A 21 -22.337 4.047 -5.601 1.00 3.28 N ATOM 330 CA ARG A 21 -21.076 4.097 -6.346 1.00 3.37 C ATOM 331 C ARG A 21 -21.377 4.204 -7.843 1.00 2.30 C ATOM 332 O ARG A 21 -21.276 3.223 -8.583 1.00 2.78 O ATOM 333 CB ARG A 21 -20.236 2.839 -6.070 1.00 4.44 C ATOM 334 CG ARG A 21 -19.676 2.830 -4.645 1.00 5.18 C ATOM 335 CD ARG A 21 -18.444 3.735 -4.518 1.00 5.89 C ATOM 336 NE ARG A 21 -18.364 4.294 -3.169 1.00 6.25 N ATOM 337 CZ ARG A 21 -17.220 4.723 -2.646 1.00 6.92 C ATOM 338 NH1 ARG A 21 -16.597 5.768 -3.174 1.00 7.30 N ATOM 339 NH2 ARG A 21 -16.706 4.089 -1.604 1.00 7.43 N ATOM 0 H ARG A 21 -23.016 3.394 -5.991 1.00 3.28 H new ATOM 0 HA ARG A 21 -20.507 4.969 -6.023 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -20.849 1.951 -6.225 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -19.414 2.787 -6.784 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -20.446 3.162 -3.949 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -19.410 1.811 -4.364 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -17.541 3.165 -4.737 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -18.498 4.540 -5.250 1.00 5.89 H new ATOM 0 HE ARG A 21 -19.215 4.357 -2.610 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -16.996 6.244 -3.983 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -15.719 6.096 -2.771 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -17.187 3.280 -1.211 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -15.829 4.409 -1.194 1.00 7.43 H new ATOM 353 N SER A 22 -21.759 5.403 -8.274 1.00 1.32 N ATOM 354 CA SER A 22 -22.090 5.674 -9.676 1.00 0.74 C ATOM 355 C SER A 22 -20.805 5.946 -10.466 1.00 0.68 C ATOM 356 O SER A 22 -20.203 7.016 -10.342 1.00 1.69 O ATOM 357 CB SER A 22 -23.046 6.875 -9.759 1.00 1.62 C ATOM 358 OG SER A 22 -24.011 6.820 -8.711 1.00 1.86 O ATOM 0 H SER A 22 -21.849 6.216 -7.664 1.00 1.32 H new ATOM 0 HA SER A 22 -22.586 4.806 -10.110 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.479 7.804 -9.691 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.550 6.880 -10.725 1.00 1.62 H new ATOM 0 HG SER A 22 -24.610 7.592 -8.777 1.00 1.86 H new ATOM 364 N TRP A 23 -20.384 4.953 -11.255 1.00 0.69 N ATOM 365 CA TRP A 23 -19.163 5.016 -12.078 1.00 0.41 C ATOM 366 C TRP A 23 -17.919 5.174 -11.201 1.00 0.40 C ATOM 367 O TRP A 23 -17.386 6.272 -11.030 1.00 0.55 O ATOM 368 CB TRP A 23 -19.260 6.128 -13.153 1.00 0.43 C ATOM 369 CG TRP A 23 -20.139 5.733 -14.312 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.205 6.425 -14.817 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.025 4.534 -15.106 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.748 5.708 -15.847 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.053 4.553 -16.053 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.154 3.445 -15.091 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.223 3.525 -16.972 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.313 2.421 -15.998 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.340 2.454 -16.934 1.00 0.31 C ATOM 0 H TRP A 23 -20.885 4.069 -11.344 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.068 4.070 -12.611 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.652 7.037 -12.697 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.261 6.361 -13.521 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.560 7.381 -14.461 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.563 5.998 -16.388 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.354 3.405 -14.367 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.022 3.558 -17.698 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.632 1.583 -15.982 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.452 1.641 -17.636 1.00 0.31 H new ATOM 388 N HIS A 24 -17.479 4.048 -10.643 1.00 0.37 N ATOM 389 CA HIS A 24 -16.314 3.981 -9.769 1.00 0.45 C ATOM 390 C HIS A 24 -15.296 3.009 -10.372 1.00 0.36 C ATOM 391 O HIS A 24 -15.656 1.906 -10.791 1.00 0.34 O ATOM 392 CB HIS A 24 -16.768 3.507 -8.380 1.00 0.61 C ATOM 393 CG HIS A 24 -15.734 3.688 -7.317 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.594 4.837 -6.583 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.779 2.855 -6.854 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.618 4.725 -5.720 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.093 3.518 -5.856 1.00 2.74 N ATOM 0 H HIS A 24 -17.930 3.145 -10.789 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.845 4.960 -9.672 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.668 4.052 -8.096 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.038 2.453 -8.436 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.174 5.669 -6.695 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.586 1.851 -7.201 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.297 5.483 -5.021 1.00 2.98 H new ATOM 405 N ASN A 25 -14.030 3.415 -10.406 1.00 0.37 N ATOM 406 CA ASN A 25 -12.953 2.577 -10.951 1.00 0.35 C ATOM 407 C ASN A 25 -12.584 1.508 -9.920 1.00 0.34 C ATOM 408 O ASN A 25 -12.074 1.827 -8.844 1.00 0.55 O ATOM 409 CB ASN A 25 -11.732 3.451 -11.290 1.00 0.44 C ATOM 410 CG ASN A 25 -10.587 2.616 -11.881 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.740 1.977 -12.923 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.438 2.624 -11.218 1.00 1.49 N ATOM 0 H ASN A 25 -13.718 4.323 -10.062 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.288 2.089 -11.866 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.023 4.225 -12.000 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.386 3.959 -10.390 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.643 2.089 -11.568 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.349 3.165 -10.358 1.00 1.49 H new ATOM 419 N VAL A 26 -12.856 0.249 -10.247 1.00 0.22 N ATOM 420 CA VAL A 26 -12.570 -0.873 -9.348 1.00 0.21 C ATOM 421 C VAL A 26 -11.897 -2.007 -10.123 1.00 0.18 C ATOM 422 O VAL A 26 -11.966 -2.061 -11.355 1.00 0.23 O ATOM 423 CB VAL A 26 -13.882 -1.347 -8.686 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.684 -2.272 -9.608 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.612 -2.036 -7.348 1.00 0.31 C ATOM 0 H VAL A 26 -13.278 -0.025 -11.134 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.884 -0.552 -8.564 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.482 -0.456 -8.501 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.599 -2.583 -9.105 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.937 -1.741 -10.526 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.087 -3.151 -9.850 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.556 -2.358 -6.908 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.972 -2.903 -7.508 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.116 -1.338 -6.673 1.00 0.31 H new ATOM 435 N TYR A 27 -11.250 -2.912 -9.396 1.00 0.16 N ATOM 436 CA TYR A 27 -10.561 -4.054 -9.997 1.00 0.16 C ATOM 437 C TYR A 27 -11.432 -5.304 -9.882 1.00 0.19 C ATOM 438 O TYR A 27 -11.737 -5.758 -8.777 1.00 0.34 O ATOM 439 CB TYR A 27 -9.214 -4.265 -9.300 1.00 0.17 C ATOM 440 CG TYR A 27 -8.261 -5.130 -10.095 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.615 -4.617 -11.206 1.00 0.28 C ATOM 442 CD2 TYR A 27 -8.034 -6.442 -9.711 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.742 -5.413 -11.929 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.161 -7.234 -10.435 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.520 -6.705 -11.556 1.00 0.29 C ATOM 446 OH TYR A 27 -5.648 -7.510 -12.257 1.00 0.37 O ATOM 0 H TYR A 27 -11.187 -2.877 -8.379 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.380 -3.857 -11.054 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.750 -3.295 -9.119 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.384 -4.723 -8.326 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.792 -3.596 -11.509 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.539 -6.846 -8.846 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -6.235 -5.008 -12.792 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.977 -8.255 -10.135 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.618 -8.398 -11.843 1.00 0.37 H new ATOM 456 N CYS A 28 -11.833 -5.850 -11.027 1.00 0.16 N ATOM 457 CA CYS A 28 -12.677 -7.046 -11.079 1.00 0.19 C ATOM 458 C CYS A 28 -11.835 -8.271 -11.438 1.00 0.19 C ATOM 459 O CYS A 28 -11.064 -8.244 -12.398 1.00 0.23 O ATOM 460 CB CYS A 28 -13.792 -6.848 -12.112 1.00 0.23 C ATOM 461 SG CYS A 28 -14.751 -5.353 -11.805 1.00 0.34 S ATOM 0 H CYS A 28 -11.584 -5.479 -11.944 1.00 0.16 H new ATOM 0 HA CYS A 28 -13.125 -7.208 -10.099 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.355 -6.799 -13.110 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.456 -7.712 -12.097 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.436 -5.494 -10.709 1.00 0.34 H new ATOM 467 N VAL A 29 -11.990 -9.337 -10.656 1.00 0.21 N ATOM 468 CA VAL A 29 -11.258 -10.592 -10.859 1.00 0.24 C ATOM 469 C VAL A 29 -12.249 -11.752 -10.922 1.00 0.26 C ATOM 470 O VAL A 29 -12.961 -12.008 -9.953 1.00 0.38 O ATOM 471 CB VAL A 29 -10.271 -10.817 -9.699 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.660 -12.222 -9.745 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.161 -9.767 -9.710 1.00 0.33 C ATOM 0 H VAL A 29 -12.628 -9.358 -9.860 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.701 -10.537 -11.794 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.838 -10.719 -8.773 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.968 -12.345 -8.912 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.453 -12.966 -9.672 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -9.123 -12.355 -10.684 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.479 -9.950 -8.880 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.613 -9.827 -10.650 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.599 -8.774 -9.608 1.00 0.33 H new ATOM 483 N ILE A 30 -12.284 -12.450 -12.056 1.00 0.28 N ATOM 484 CA ILE A 30 -13.183 -13.599 -12.247 1.00 0.32 C ATOM 485 C ILE A 30 -12.404 -14.907 -12.058 1.00 0.35 C ATOM 486 O ILE A 30 -11.233 -15.000 -12.447 1.00 0.44 O ATOM 487 CB ILE A 30 -13.811 -13.551 -13.651 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.414 -12.167 -13.924 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.885 -14.631 -13.802 1.00 0.50 C ATOM 490 CD1 ILE A 30 -15.033 -12.084 -15.318 1.00 0.57 C ATOM 0 H ILE A 30 -11.698 -12.242 -12.864 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.981 -13.553 -11.506 1.00 0.32 H new ATOM 0 HB ILE A 30 -13.023 -13.741 -14.380 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -15.175 -11.947 -13.175 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.639 -11.407 -13.824 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.316 -14.579 -14.802 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.437 -15.613 -13.651 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.668 -14.471 -13.061 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -15.449 -11.088 -15.473 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -14.267 -12.278 -16.069 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.826 -12.827 -15.409 1.00 0.57 H new ATOM 502 N ASN A 31 -13.046 -15.912 -11.449 1.00 0.46 N ATOM 503 CA ASN A 31 -12.399 -17.208 -11.205 1.00 0.58 C ATOM 504 C ASN A 31 -13.429 -18.350 -11.179 1.00 0.71 C ATOM 505 O ASN A 31 -13.622 -19.000 -10.153 1.00 1.20 O ATOM 506 CB ASN A 31 -11.613 -17.153 -9.878 1.00 0.73 C ATOM 507 CG ASN A 31 -10.620 -18.316 -9.767 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.903 -18.631 -10.719 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.583 -18.955 -8.608 1.00 1.47 N ATOM 0 H ASN A 31 -14.009 -15.854 -11.117 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.707 -17.410 -12.023 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.076 -16.207 -9.810 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.309 -17.185 -9.040 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.944 -19.740 -8.478 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.193 -18.663 -7.845 1.00 1.47 H new ATOM 516 N ASN A 32 -14.050 -18.602 -12.337 1.00 0.85 N ATOM 517 CA ASN A 32 -15.041 -19.687 -12.529 1.00 1.00 C ATOM 518 C ASN A 32 -16.237 -19.608 -11.557 1.00 1.00 C ATOM 519 O ASN A 32 -16.118 -19.933 -10.376 1.00 1.97 O ATOM 520 CB ASN A 32 -14.341 -21.058 -12.405 1.00 1.24 C ATOM 521 CG ASN A 32 -15.299 -22.210 -12.733 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.680 -22.982 -11.853 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.683 -22.338 -13.994 1.00 2.52 N ATOM 0 H ASN A 32 -13.882 -18.056 -13.182 1.00 0.85 H new ATOM 0 HA ASN A 32 -15.455 -19.563 -13.530 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.485 -21.093 -13.078 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.956 -21.181 -11.393 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -16.314 -23.094 -14.261 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.348 -21.681 -14.698 1.00 2.52 H new ATOM 530 N GLN A 33 -17.400 -19.218 -12.090 1.00 0.75 N ATOM 531 CA GLN A 33 -18.665 -19.131 -11.323 1.00 0.67 C ATOM 532 C GLN A 33 -18.629 -18.109 -10.172 1.00 0.56 C ATOM 533 O GLN A 33 -19.666 -17.891 -9.508 1.00 0.71 O ATOM 534 CB GLN A 33 -19.050 -20.517 -10.774 1.00 0.83 C ATOM 535 CG GLN A 33 -20.573 -20.649 -10.577 1.00 1.46 C ATOM 536 CD GLN A 33 -20.914 -21.020 -9.131 1.00 1.85 C ATOM 537 OE1 GLN A 33 -21.376 -22.125 -8.857 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.683 -20.103 -8.210 1.00 2.67 N ATOM 0 H GLN A 33 -17.499 -18.951 -13.069 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.418 -18.777 -12.027 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.704 -21.289 -11.461 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.544 -20.685 -9.823 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -21.059 -19.709 -10.838 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.965 -21.409 -11.252 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.298 -19.197 -8.478 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.889 -20.300 -7.231 1.00 2.67 H new ATOM 547 N GLU A 34 -17.456 -17.501 -9.917 1.00 0.53 N ATOM 548 CA GLU A 34 -17.295 -16.529 -8.845 1.00 0.49 C ATOM 549 C GLU A 34 -16.341 -15.418 -9.282 1.00 0.45 C ATOM 550 O GLU A 34 -15.385 -15.663 -10.023 1.00 0.64 O ATOM 551 CB GLU A 34 -16.747 -17.233 -7.593 1.00 0.61 C ATOM 552 CG GLU A 34 -17.497 -16.794 -6.331 1.00 1.25 C ATOM 553 CD GLU A 34 -18.653 -17.737 -6.013 1.00 1.42 C ATOM 554 OE1 GLU A 34 -18.509 -18.960 -6.220 1.00 1.89 O ATOM 555 OE2 GLU A 34 -19.706 -17.262 -5.546 1.00 1.79 O ATOM 0 H GLU A 34 -16.604 -17.675 -10.450 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.263 -16.085 -8.614 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.835 -18.313 -7.713 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.686 -17.010 -7.483 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.807 -16.765 -5.488 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.878 -15.782 -6.466 1.00 1.25 H new ATOM 562 N MET A 35 -16.594 -14.210 -8.801 1.00 0.36 N ATOM 563 CA MET A 35 -15.756 -13.052 -9.107 1.00 0.35 C ATOM 564 C MET A 35 -15.599 -12.199 -7.849 1.00 0.32 C ATOM 565 O MET A 35 -16.488 -12.174 -6.993 1.00 0.42 O ATOM 566 CB MET A 35 -16.348 -12.231 -10.265 1.00 0.41 C ATOM 567 CG MET A 35 -17.687 -11.586 -9.901 1.00 0.43 C ATOM 568 SD MET A 35 -18.394 -10.656 -11.274 1.00 0.60 S ATOM 569 CE MET A 35 -17.231 -9.284 -11.407 1.00 1.25 C ATOM 0 H MET A 35 -17.383 -14.001 -8.189 1.00 0.36 H new ATOM 0 HA MET A 35 -14.773 -13.397 -9.428 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.641 -11.454 -10.554 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.483 -12.877 -11.132 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.388 -12.360 -9.590 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.548 -10.921 -9.048 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.767 -8.380 -11.696 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.744 -9.126 -10.445 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.479 -9.516 -12.161 1.00 1.25 H new ATOM 579 N GLY A 36 -14.462 -11.519 -7.736 1.00 0.27 N ATOM 580 CA GLY A 36 -14.160 -10.676 -6.578 1.00 0.29 C ATOM 581 C GLY A 36 -13.800 -9.254 -6.998 1.00 0.25 C ATOM 582 O GLY A 36 -13.131 -9.044 -8.015 1.00 0.28 O ATOM 0 H GLY A 36 -13.725 -11.535 -8.441 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.021 -10.652 -5.910 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.333 -11.111 -6.016 1.00 0.29 H new ATOM 586 N PHE A 37 -14.249 -8.283 -6.199 1.00 0.24 N ATOM 587 CA PHE A 37 -13.988 -6.858 -6.443 1.00 0.25 C ATOM 588 C PHE A 37 -12.903 -6.363 -5.480 1.00 0.25 C ATOM 589 O PHE A 37 -13.120 -6.307 -4.267 1.00 0.40 O ATOM 590 CB PHE A 37 -15.280 -6.050 -6.249 1.00 0.30 C ATOM 591 CG PHE A 37 -16.338 -6.380 -7.280 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.281 -5.817 -8.547 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.368 -7.249 -6.959 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.255 -6.125 -9.485 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.338 -7.554 -7.897 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.269 -6.978 -9.177 1.00 0.33 C ATOM 0 H PHE A 37 -14.805 -8.461 -5.363 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.642 -6.723 -7.468 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.678 -6.243 -5.253 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.049 -4.986 -6.300 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.479 -5.140 -8.802 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.414 -7.689 -5.974 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.208 -5.683 -10.469 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.143 -8.230 -7.647 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.021 -7.212 -9.916 1.00 0.33 H new ATOM 606 N TYR A 38 -11.735 -6.026 -6.026 1.00 0.20 N ATOM 607 CA TYR A 38 -10.596 -5.557 -5.226 1.00 0.21 C ATOM 608 C TYR A 38 -10.194 -4.127 -5.614 1.00 0.21 C ATOM 609 O TYR A 38 -10.816 -3.497 -6.475 1.00 0.23 O ATOM 610 CB TYR A 38 -9.405 -6.501 -5.425 1.00 0.23 C ATOM 611 CG TYR A 38 -9.715 -7.938 -5.078 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.558 -8.391 -3.779 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.164 -8.804 -6.057 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.852 -9.706 -3.465 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.456 -10.119 -5.743 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.268 -10.570 -4.439 1.00 0.44 C ATOM 617 OH TYR A 38 -10.593 -11.871 -4.135 1.00 0.55 O ATOM 0 H TYR A 38 -11.549 -6.069 -7.028 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.894 -5.553 -4.177 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.078 -6.448 -6.464 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.572 -6.158 -4.811 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.206 -7.718 -3.011 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.287 -8.453 -7.071 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.752 -10.051 -2.446 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.827 -10.791 -6.503 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.869 -12.339 -4.951 1.00 0.55 H new ATOM 627 N LYS A 39 -9.133 -3.628 -4.972 1.00 0.25 N ATOM 628 CA LYS A 39 -8.608 -2.279 -5.231 1.00 0.29 C ATOM 629 C LYS A 39 -7.767 -2.271 -6.515 1.00 0.28 C ATOM 630 O LYS A 39 -7.816 -1.321 -7.296 1.00 0.33 O ATOM 631 CB LYS A 39 -7.750 -1.826 -4.038 1.00 0.36 C ATOM 632 CG LYS A 39 -7.877 -0.325 -3.772 1.00 0.70 C ATOM 633 CD LYS A 39 -7.128 0.079 -2.497 1.00 1.15 C ATOM 634 CE LYS A 39 -8.000 0.919 -1.557 1.00 1.82 C ATOM 635 NZ LYS A 39 -8.153 2.318 -2.047 1.00 2.51 N ATOM 0 H LYS A 39 -8.614 -4.143 -4.261 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.443 -1.590 -5.360 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.049 -2.378 -3.147 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -6.706 -2.072 -4.229 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.481 0.232 -4.621 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.930 -0.058 -3.678 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -6.792 -0.817 -1.975 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.236 0.645 -2.765 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.983 0.457 -1.463 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.556 0.929 -0.561 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -8.749 2.855 -1.385 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.217 2.767 -2.113 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.600 2.310 -2.986 1.00 2.51 H new ATOM 649 N ASP A 40 -6.999 -3.346 -6.715 1.00 0.28 N ATOM 650 CA ASP A 40 -6.134 -3.511 -7.891 1.00 0.32 C ATOM 651 C ASP A 40 -5.637 -4.961 -7.972 1.00 0.33 C ATOM 652 O ASP A 40 -6.142 -5.846 -7.273 1.00 0.32 O ATOM 653 CB ASP A 40 -4.939 -2.533 -7.846 1.00 0.38 C ATOM 654 CG ASP A 40 -3.843 -3.006 -6.883 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.142 -3.201 -5.690 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.680 -3.152 -7.312 1.00 0.94 O ATOM 0 H ASP A 40 -6.958 -4.130 -6.064 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.718 -3.282 -8.783 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.520 -2.426 -8.847 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.289 -1.547 -7.540 1.00 0.38 H new ATOM 661 N ALA A 41 -4.624 -5.183 -8.814 1.00 0.40 N ATOM 662 CA ALA A 41 -4.016 -6.506 -8.994 1.00 0.45 C ATOM 663 C ALA A 41 -3.275 -6.952 -7.723 1.00 0.45 C ATOM 664 O ALA A 41 -3.330 -8.123 -7.350 1.00 0.47 O ATOM 665 CB ALA A 41 -3.053 -6.474 -10.181 1.00 0.55 C ATOM 0 H ALA A 41 -4.203 -4.454 -9.389 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.810 -7.226 -9.191 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.603 -7.458 -10.311 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.598 -6.201 -11.085 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.270 -5.739 -9.994 1.00 0.55 H new ATOM 671 N LYS A 42 -2.598 -6.011 -7.049 1.00 0.46 N ATOM 672 CA LYS A 42 -1.863 -6.308 -5.812 1.00 0.48 C ATOM 673 C LYS A 42 -2.838 -6.667 -4.687 1.00 0.43 C ATOM 674 O LYS A 42 -2.633 -7.643 -3.964 1.00 0.47 O ATOM 675 CB LYS A 42 -0.996 -5.111 -5.409 1.00 0.54 C ATOM 676 CG LYS A 42 0.077 -4.824 -6.462 1.00 0.77 C ATOM 677 CD LYS A 42 0.870 -3.559 -6.129 1.00 1.12 C ATOM 678 CE LYS A 42 2.085 -3.404 -7.054 1.00 1.96 C ATOM 679 NZ LYS A 42 1.757 -3.761 -8.465 1.00 2.76 N ATOM 0 H LYS A 42 -2.545 -5.035 -7.341 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.211 -7.163 -5.990 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.625 -4.231 -5.278 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.522 -5.309 -4.448 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.757 -5.673 -6.530 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.392 -4.713 -7.439 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.224 -2.686 -6.224 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.202 -3.598 -5.092 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.444 -2.376 -7.013 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.896 -4.039 -6.698 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.431 -3.296 -9.106 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.819 -4.792 -8.586 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.792 -3.444 -8.688 1.00 2.76 H new ATOM 693 N SER A 43 -3.914 -5.886 -4.561 1.00 0.38 N ATOM 694 CA SER A 43 -4.946 -6.126 -3.543 1.00 0.38 C ATOM 695 C SER A 43 -5.634 -7.480 -3.782 1.00 0.39 C ATOM 696 O SER A 43 -5.969 -8.192 -2.836 1.00 0.45 O ATOM 697 CB SER A 43 -5.971 -4.995 -3.568 1.00 0.37 C ATOM 698 OG SER A 43 -5.318 -3.740 -3.458 1.00 1.04 O ATOM 0 H SER A 43 -4.096 -5.076 -5.154 1.00 0.38 H new ATOM 0 HA SER A 43 -4.473 -6.153 -2.561 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.545 -5.035 -4.494 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.679 -5.118 -2.749 1.00 0.37 H new ATOM 0 HG SER A 43 -5.090 -3.411 -4.352 1.00 1.04 H new ATOM 704 N ALA A 44 -5.821 -7.831 -5.062 1.00 0.37 N ATOM 705 CA ALA A 44 -6.438 -9.098 -5.454 1.00 0.43 C ATOM 706 C ALA A 44 -5.483 -10.267 -5.184 1.00 0.51 C ATOM 707 O ALA A 44 -5.892 -11.298 -4.653 1.00 0.59 O ATOM 708 CB ALA A 44 -6.810 -9.063 -6.941 1.00 0.43 C ATOM 0 H ALA A 44 -5.548 -7.244 -5.850 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.342 -9.241 -4.862 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.269 -10.011 -7.224 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.514 -8.251 -7.121 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.912 -8.903 -7.537 1.00 0.43 H new ATOM 714 N ALA A 45 -4.210 -10.090 -5.554 1.00 0.54 N ATOM 715 CA ALA A 45 -3.173 -11.114 -5.362 1.00 0.64 C ATOM 716 C ALA A 45 -2.908 -11.368 -3.876 1.00 0.68 C ATOM 717 O ALA A 45 -2.804 -12.516 -3.442 1.00 0.76 O ATOM 718 CB ALA A 45 -1.879 -10.675 -6.050 1.00 0.69 C ATOM 0 H ALA A 45 -3.868 -9.236 -5.994 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.529 -12.044 -5.806 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.113 -11.437 -5.905 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.061 -10.542 -7.116 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.539 -9.733 -5.619 1.00 0.69 H new ATOM 724 N SER A 46 -2.792 -10.290 -3.101 1.00 0.65 N ATOM 725 CA SER A 46 -2.531 -10.386 -1.662 1.00 0.73 C ATOM 726 C SER A 46 -3.775 -10.896 -0.911 1.00 0.74 C ATOM 727 O SER A 46 -3.666 -11.754 -0.032 1.00 0.84 O ATOM 728 CB SER A 46 -2.088 -9.018 -1.115 1.00 0.75 C ATOM 729 OG SER A 46 -1.276 -9.175 0.044 1.00 1.21 O ATOM 0 H SER A 46 -2.875 -9.334 -3.447 1.00 0.65 H new ATOM 0 HA SER A 46 -1.727 -11.104 -1.502 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.534 -8.477 -1.882 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.965 -8.418 -0.872 1.00 0.75 H new ATOM 0 HG SER A 46 -1.004 -8.294 0.375 1.00 1.21 H new ATOM 735 N GLY A 47 -4.948 -10.370 -1.270 1.00 0.70 N ATOM 736 CA GLY A 47 -6.217 -10.763 -0.646 1.00 0.74 C ATOM 737 C GLY A 47 -6.685 -9.692 0.338 1.00 0.75 C ATOM 738 O GLY A 47 -6.774 -9.939 1.541 1.00 0.88 O ATOM 0 H GLY A 47 -5.047 -9.663 -1.998 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.975 -10.915 -1.414 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.094 -11.713 -0.127 1.00 0.74 H new ATOM 742 N ILE A 48 -6.973 -8.501 -0.191 1.00 0.67 N ATOM 743 CA ILE A 48 -7.433 -7.364 0.612 1.00 0.72 C ATOM 744 C ILE A 48 -8.831 -6.946 0.139 1.00 0.75 C ATOM 745 O ILE A 48 -9.001 -6.531 -1.009 1.00 0.75 O ATOM 746 CB ILE A 48 -6.442 -6.192 0.475 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.015 -6.650 0.805 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.844 -5.031 1.385 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.985 -5.552 0.536 1.00 0.97 C ATOM 0 H ILE A 48 -6.894 -8.297 -1.187 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.484 -7.650 1.663 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.469 -5.847 -0.559 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.963 -6.948 1.852 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.770 -7.530 0.211 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.130 -4.215 1.271 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.840 -4.682 1.111 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.849 -5.367 2.422 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -2.989 -5.919 0.783 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.018 -5.272 -0.517 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.213 -4.681 1.150 1.00 0.97 H new ATOM 761 N PRO A 49 -9.858 -7.057 1.010 1.00 0.84 N ATOM 762 CA PRO A 49 -11.250 -6.699 0.659 1.00 0.93 C ATOM 763 C PRO A 49 -11.453 -5.191 0.471 1.00 0.93 C ATOM 764 O PRO A 49 -10.983 -4.379 1.275 1.00 1.08 O ATOM 765 CB PRO A 49 -12.078 -7.233 1.829 1.00 1.07 C ATOM 766 CG PRO A 49 -11.131 -7.292 2.983 1.00 1.06 C ATOM 767 CD PRO A 49 -9.757 -7.545 2.400 1.00 0.92 C ATOM 0 HA PRO A 49 -11.541 -7.127 -0.300 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.922 -6.578 2.045 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.488 -8.218 1.605 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.147 -6.359 3.546 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.411 -8.087 3.674 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.985 -7.012 2.954 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.499 -8.604 2.433 1.00 0.92 H new ATOM 775 N TYR A 50 -12.150 -4.830 -0.609 1.00 0.87 N ATOM 776 CA TYR A 50 -12.424 -3.424 -0.947 1.00 0.91 C ATOM 777 C TYR A 50 -13.695 -2.910 -0.248 1.00 1.12 C ATOM 778 O TYR A 50 -13.812 -1.717 0.036 1.00 1.91 O ATOM 779 CB TYR A 50 -12.551 -3.287 -2.474 1.00 0.92 C ATOM 780 CG TYR A 50 -12.508 -1.857 -2.978 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.487 -1.007 -2.577 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.495 -1.385 -3.834 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.453 0.302 -3.027 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.453 -0.078 -4.282 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.423 0.745 -3.916 1.00 1.17 C ATOM 786 OH TYR A 50 -12.415 2.060 -4.326 1.00 1.34 O ATOM 0 H TYR A 50 -12.540 -5.498 -1.274 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.594 -2.813 -0.592 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.746 -3.851 -2.946 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.488 -3.744 -2.791 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.716 -1.368 -1.912 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.295 -2.039 -4.149 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -10.678 0.973 -2.689 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.237 0.295 -4.924 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.267 2.272 -4.761 1.00 1.34 H new ATOM 796 N HIS A 51 -14.638 -3.811 0.038 1.00 1.28 N ATOM 797 CA HIS A 51 -15.891 -3.448 0.713 1.00 1.53 C ATOM 798 C HIS A 51 -16.511 -4.686 1.380 1.00 1.61 C ATOM 799 O HIS A 51 -15.809 -5.658 1.672 1.00 2.07 O ATOM 800 CB HIS A 51 -16.879 -2.770 -0.269 1.00 2.01 C ATOM 801 CG HIS A 51 -17.258 -3.599 -1.469 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.549 -3.731 -1.909 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.519 -4.328 -2.339 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.610 -4.487 -2.975 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.380 -4.873 -3.271 1.00 3.74 N ATOM 0 H HIS A 51 -14.559 -4.803 -0.188 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.668 -2.720 1.493 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.787 -2.510 0.275 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.438 -1.836 -0.617 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -19.357 -3.296 -1.463 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -15.447 -4.460 -2.309 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.506 -4.750 -3.517 1.00 3.87 H new ATOM 813 N SER A 52 -17.819 -4.638 1.632 1.00 1.60 N ATOM 814 CA SER A 52 -18.546 -5.738 2.279 1.00 1.96 C ATOM 815 C SER A 52 -18.724 -6.922 1.315 1.00 1.85 C ATOM 816 O SER A 52 -18.090 -7.970 1.481 1.00 2.45 O ATOM 817 CB SER A 52 -19.912 -5.229 2.784 1.00 2.44 C ATOM 818 OG SER A 52 -20.322 -4.059 2.077 1.00 2.65 O ATOM 0 H SER A 52 -18.406 -3.839 1.395 1.00 1.60 H new ATOM 0 HA SER A 52 -17.964 -6.093 3.130 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.661 -6.011 2.663 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.850 -5.009 3.850 1.00 2.44 H new ATOM 0 HG SER A 52 -20.775 -4.320 1.248 1.00 2.65 H new ATOM 824 N GLU A 53 -19.596 -6.754 0.315 1.00 1.45 N ATOM 825 CA GLU A 53 -19.882 -7.802 -0.674 1.00 1.37 C ATOM 826 C GLU A 53 -18.786 -7.875 -1.743 1.00 1.08 C ATOM 827 O GLU A 53 -19.023 -7.562 -2.912 1.00 1.24 O ATOM 828 CB GLU A 53 -21.244 -7.541 -1.341 1.00 1.73 C ATOM 829 CG GLU A 53 -22.362 -7.347 -0.309 1.00 2.39 C ATOM 830 CD GLU A 53 -22.682 -5.867 -0.114 1.00 2.88 C ATOM 831 OE1 GLU A 53 -21.756 -5.087 0.185 1.00 3.23 O ATOM 832 OE2 GLU A 53 -23.857 -5.482 -0.258 1.00 3.46 O ATOM 0 H GLU A 53 -20.122 -5.892 0.168 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.910 -8.758 -0.150 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.175 -6.654 -1.971 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.494 -8.377 -1.994 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -23.258 -7.876 -0.635 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.062 -7.786 0.643 1.00 2.39 H new ATOM 839 N VAL A 54 -17.590 -8.305 -1.337 1.00 0.84 N ATOM 840 CA VAL A 54 -16.452 -8.439 -2.257 1.00 0.66 C ATOM 841 C VAL A 54 -16.640 -9.657 -3.181 1.00 0.55 C ATOM 842 O VAL A 54 -16.441 -9.540 -4.389 1.00 0.49 O ATOM 843 CB VAL A 54 -15.124 -8.534 -1.474 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.960 -8.925 -2.391 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.822 -7.203 -0.781 1.00 1.34 C ATOM 0 H VAL A 54 -17.381 -8.568 -0.374 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.409 -7.547 -2.882 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.236 -9.314 -0.721 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.041 -8.983 -1.808 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.164 -9.895 -2.844 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.846 -8.175 -3.174 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.883 -7.283 -0.233 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.739 -6.414 -1.529 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.628 -6.963 -0.088 1.00 1.34 H new ATOM 855 N PRO A 55 -17.039 -10.840 -2.644 1.00 0.62 N ATOM 856 CA PRO A 55 -17.249 -12.045 -3.460 1.00 0.59 C ATOM 857 C PRO A 55 -18.671 -12.096 -4.038 1.00 0.58 C ATOM 858 O PRO A 55 -19.653 -12.052 -3.292 1.00 0.83 O ATOM 859 CB PRO A 55 -17.009 -13.186 -2.475 1.00 0.76 C ATOM 860 CG PRO A 55 -17.302 -12.628 -1.113 1.00 0.87 C ATOM 861 CD PRO A 55 -17.328 -11.117 -1.222 1.00 0.83 C ATOM 0 HA PRO A 55 -16.590 -12.086 -4.327 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.656 -14.035 -2.696 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.981 -13.545 -2.537 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.259 -13.000 -0.746 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.542 -12.946 -0.399 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.298 -10.715 -0.929 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.584 -10.660 -0.570 1.00 0.83 H new ATOM 869 N VAL A 56 -18.769 -12.187 -5.362 1.00 0.41 N ATOM 870 CA VAL A 56 -20.056 -12.246 -6.061 1.00 0.43 C ATOM 871 C VAL A 56 -20.072 -13.465 -6.986 1.00 0.42 C ATOM 872 O VAL A 56 -19.084 -13.751 -7.666 1.00 0.43 O ATOM 873 CB VAL A 56 -20.277 -10.947 -6.854 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.571 -11.008 -7.669 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.310 -9.746 -5.906 1.00 0.63 C ATOM 0 H VAL A 56 -17.960 -12.222 -5.983 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.867 -12.345 -5.340 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.444 -10.832 -7.548 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.699 -10.075 -8.218 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.519 -11.839 -8.372 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.417 -11.153 -6.998 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.467 -8.833 -6.481 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.123 -9.869 -5.191 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.363 -9.679 -5.370 1.00 0.63 H new ATOM 885 N SER A 57 -21.190 -14.186 -6.996 1.00 0.47 N ATOM 886 CA SER A 57 -21.351 -15.378 -7.811 1.00 0.48 C ATOM 887 C SER A 57 -21.697 -15.015 -9.259 1.00 0.46 C ATOM 888 O SER A 57 -22.463 -14.086 -9.513 1.00 0.59 O ATOM 889 CB SER A 57 -22.451 -16.230 -7.199 1.00 0.61 C ATOM 890 OG SER A 57 -22.154 -16.555 -5.844 1.00 0.91 O ATOM 0 H SER A 57 -22.011 -13.956 -6.436 1.00 0.47 H new ATOM 0 HA SER A 57 -20.413 -15.933 -7.832 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.400 -15.695 -7.248 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.571 -17.146 -7.778 1.00 0.61 H new ATOM 0 HG SER A 57 -21.312 -17.055 -5.805 1.00 0.91 H new ATOM 896 N LEU A 58 -21.124 -15.767 -10.192 1.00 0.44 N ATOM 897 CA LEU A 58 -21.335 -15.577 -11.628 1.00 0.49 C ATOM 898 C LEU A 58 -21.879 -16.879 -12.224 1.00 0.60 C ATOM 899 O LEU A 58 -21.217 -17.543 -13.022 1.00 0.89 O ATOM 900 CB LEU A 58 -19.999 -15.179 -12.286 1.00 0.67 C ATOM 901 CG LEU A 58 -20.207 -14.389 -13.578 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.727 -12.979 -13.274 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.900 -14.327 -14.376 1.00 0.86 C ATOM 0 H LEU A 58 -20.491 -16.536 -9.973 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.058 -14.782 -11.810 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.415 -14.581 -11.586 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.419 -16.077 -12.500 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.957 -14.901 -14.181 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.868 -12.434 -14.207 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.678 -13.048 -12.747 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -20.005 -12.451 -12.651 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.061 -13.762 -15.294 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.132 -13.837 -13.778 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.577 -15.338 -14.624 1.00 0.86 H new ATOM 915 N LYS A 59 -23.093 -17.241 -11.814 1.00 0.70 N ATOM 916 CA LYS A 59 -23.759 -18.462 -12.269 1.00 0.90 C ATOM 917 C LYS A 59 -24.694 -18.140 -13.435 1.00 0.87 C ATOM 918 O LYS A 59 -25.836 -17.723 -13.222 1.00 0.95 O ATOM 919 CB LYS A 59 -24.546 -19.072 -11.096 1.00 1.13 C ATOM 920 CG LYS A 59 -25.326 -20.332 -11.496 1.00 1.41 C ATOM 921 CD LYS A 59 -24.409 -21.552 -11.622 1.00 1.78 C ATOM 922 CE LYS A 59 -25.180 -22.854 -11.395 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.471 -22.868 -12.143 1.00 2.83 N ATOM 0 H LYS A 59 -23.646 -16.694 -11.154 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.017 -19.182 -12.614 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.855 -19.318 -10.290 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.241 -18.329 -10.705 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -26.098 -20.533 -10.753 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.834 -20.159 -12.445 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.952 -21.565 -12.612 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -23.598 -21.476 -10.898 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.568 -23.699 -11.710 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.375 -22.981 -10.330 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.791 -23.850 -12.265 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -27.187 -22.334 -11.610 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.336 -22.429 -13.076 1.00 2.83 H new ATOM 937 N GLU A 60 -24.202 -18.352 -14.662 1.00 0.89 N ATOM 938 CA GLU A 60 -24.974 -18.107 -15.892 1.00 0.93 C ATOM 939 C GLU A 60 -25.510 -16.668 -15.936 1.00 0.71 C ATOM 940 O GLU A 60 -26.722 -16.438 -15.896 1.00 0.82 O ATOM 941 CB GLU A 60 -26.122 -19.125 -16.002 1.00 1.20 C ATOM 942 CG GLU A 60 -25.599 -20.572 -15.981 1.00 1.43 C ATOM 943 CD GLU A 60 -26.725 -21.544 -15.661 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.769 -21.503 -16.343 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.570 -22.355 -14.726 1.00 2.33 O ATOM 0 H GLU A 60 -23.258 -18.698 -14.833 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.310 -18.233 -16.747 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.820 -18.978 -15.178 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -26.676 -18.951 -16.924 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.161 -20.820 -16.948 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.807 -20.667 -15.238 1.00 1.43 H new ATOM 952 N ALA A 61 -24.593 -15.704 -16.010 1.00 0.51 N ATOM 953 CA ALA A 61 -24.946 -14.284 -16.053 1.00 0.35 C ATOM 954 C ALA A 61 -25.243 -13.842 -17.486 1.00 0.35 C ATOM 955 O ALA A 61 -24.596 -14.296 -18.433 1.00 0.43 O ATOM 956 CB ALA A 61 -23.792 -13.447 -15.491 1.00 0.31 C ATOM 0 H ALA A 61 -23.589 -15.883 -16.042 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.840 -14.133 -15.448 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -24.059 -12.391 -15.525 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.599 -13.740 -14.459 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.896 -13.614 -16.089 1.00 0.31 H new ATOM 962 N ILE A 62 -26.198 -12.928 -17.631 1.00 0.34 N ATOM 963 CA ILE A 62 -26.569 -12.376 -18.935 1.00 0.37 C ATOM 964 C ILE A 62 -25.797 -11.073 -19.130 1.00 0.31 C ATOM 965 O ILE A 62 -25.733 -10.241 -18.217 1.00 0.31 O ATOM 966 CB ILE A 62 -28.085 -12.126 -19.006 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.857 -13.362 -18.519 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.512 -11.749 -20.434 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.369 -13.167 -18.630 1.00 1.27 C ATOM 0 H ILE A 62 -26.736 -12.549 -16.852 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.319 -13.082 -19.727 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.323 -11.289 -18.350 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.559 -14.231 -19.105 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.593 -13.571 -17.482 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.588 -11.577 -20.459 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.993 -10.841 -20.741 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.259 -12.561 -21.116 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.878 -14.063 -18.276 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.671 -12.314 -18.023 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.637 -12.985 -19.671 1.00 1.27 H new ATOM 981 N CYS A 63 -25.178 -10.911 -20.293 1.00 0.34 N ATOM 982 CA CYS A 63 -24.370 -9.724 -20.580 1.00 0.33 C ATOM 983 C CYS A 63 -24.770 -9.087 -21.913 1.00 0.34 C ATOM 984 O CYS A 63 -24.625 -9.698 -22.973 1.00 0.52 O ATOM 985 CB CYS A 63 -22.889 -10.128 -20.583 1.00 0.37 C ATOM 986 SG CYS A 63 -21.785 -8.753 -20.224 1.00 0.53 S ATOM 0 H CYS A 63 -25.218 -11.586 -21.057 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.543 -8.974 -19.808 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.731 -10.915 -19.846 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.634 -10.547 -21.557 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.554 -9.169 -20.241 1.00 0.53 H new ATOM 992 N GLU A 64 -25.258 -7.844 -21.848 1.00 0.26 N ATOM 993 CA GLU A 64 -25.671 -7.080 -23.039 1.00 0.29 C ATOM 994 C GLU A 64 -24.631 -6.001 -23.350 1.00 0.24 C ATOM 995 O GLU A 64 -23.883 -5.583 -22.468 1.00 0.36 O ATOM 996 CB GLU A 64 -27.024 -6.402 -22.806 1.00 0.33 C ATOM 997 CG GLU A 64 -28.082 -7.378 -22.287 1.00 0.81 C ATOM 998 CD GLU A 64 -29.441 -6.693 -22.253 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.092 -6.597 -23.310 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.875 -6.279 -21.158 1.00 1.96 O ATOM 0 H GLU A 64 -25.379 -7.336 -20.972 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.755 -7.775 -23.875 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.902 -5.589 -22.091 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.370 -5.957 -23.739 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.124 -8.258 -22.928 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.813 -7.723 -21.289 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.600 -5.536 -24.593 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.662 -4.490 -25.011 1.00 0.32 C ATOM 1009 C VAL A 65 -24.337 -3.113 -24.941 1.00 0.31 C ATOM 1010 O VAL A 65 -25.445 -2.921 -25.455 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.176 -4.763 -26.441 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.028 -3.825 -26.817 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.727 -6.215 -26.599 1.00 0.39 C ATOM 0 H VAL A 65 -25.216 -5.866 -25.336 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.806 -4.496 -24.337 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.015 -4.580 -27.112 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.702 -4.039 -27.835 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.368 -2.791 -26.754 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.195 -3.976 -26.130 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.388 -6.382 -27.621 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.910 -6.421 -25.907 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.563 -6.880 -26.381 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.647 -2.161 -24.313 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.123 -0.782 -24.160 1.00 0.31 C ATOM 1025 C ALA A 66 -23.094 0.168 -24.785 1.00 0.34 C ATOM 1026 O ALA A 66 -22.259 0.754 -24.095 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.331 -0.466 -22.671 1.00 0.36 C ATOM 0 H ALA A 66 -22.733 -2.325 -23.891 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.079 -0.654 -24.668 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.685 0.559 -22.563 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.069 -1.151 -22.253 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.387 -0.582 -22.139 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.156 0.302 -26.106 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.237 1.163 -26.855 1.00 0.71 C ATOM 1035 C LEU A 67 -22.724 2.612 -26.831 1.00 0.89 C ATOM 1036 O LEU A 67 -21.951 3.533 -26.570 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.130 0.663 -28.309 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.677 0.537 -28.782 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.012 1.908 -28.904 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -19.870 -0.370 -27.853 1.00 1.38 C ATOM 0 H LEU A 67 -23.841 -0.180 -26.689 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.253 1.123 -26.387 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.621 -0.306 -28.393 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.664 1.349 -28.966 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.695 0.081 -29.772 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.983 1.784 -29.241 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -20.560 2.515 -29.625 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -20.019 2.403 -27.933 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -18.844 -0.440 -28.214 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -19.873 0.046 -26.846 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -20.317 -1.364 -27.836 1.00 1.38 H new ATOM 1052 N ASP A 68 -24.011 2.794 -27.121 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.632 4.120 -27.161 1.00 1.14 C ATOM 1054 C ASP A 68 -25.472 4.380 -25.900 1.00 0.87 C ATOM 1055 O ASP A 68 -26.568 4.935 -25.974 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.505 4.220 -28.424 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.865 5.670 -28.733 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -24.955 6.455 -29.070 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.058 6.030 -28.642 1.00 2.62 O ATOM 0 H ASP A 68 -24.652 2.030 -27.334 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.851 4.880 -27.191 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.974 3.786 -29.271 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.416 3.638 -28.286 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.947 4.001 -24.732 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.642 4.223 -23.458 1.00 0.69 C ATOM 1066 C TYR A 69 -25.257 5.607 -22.923 1.00 0.97 C ATOM 1067 O TYR A 69 -24.248 5.750 -22.228 1.00 1.47 O ATOM 1068 CB TYR A 69 -25.285 3.119 -22.442 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.786 3.410 -21.037 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -27.149 3.440 -20.775 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.884 3.655 -20.011 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.605 3.713 -19.494 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.345 3.929 -18.732 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.702 3.958 -18.480 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.153 4.224 -17.203 1.00 0.97 O ATOM 0 H TYR A 69 -24.042 3.539 -24.641 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.720 4.183 -23.616 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.706 2.173 -22.782 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -24.202 2.995 -22.416 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.855 3.250 -21.570 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.822 3.632 -20.209 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.665 3.734 -19.290 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.643 4.120 -17.934 1.00 0.64 H new ATOM 0 HH TYR A 69 -28.004 3.762 -17.054 1.00 0.97 H new ATOM 1085 N LYS A 70 -26.053 6.622 -23.289 1.00 1.40 N ATOM 1086 CA LYS A 70 -25.840 8.031 -22.899 1.00 1.81 C ATOM 1087 C LYS A 70 -24.673 8.659 -23.678 1.00 1.82 C ATOM 1088 O LYS A 70 -24.810 9.739 -24.255 1.00 2.53 O ATOM 1089 CB LYS A 70 -25.626 8.179 -21.379 1.00 2.43 C ATOM 1090 CG LYS A 70 -26.815 7.633 -20.586 1.00 2.98 C ATOM 1091 CD LYS A 70 -26.617 7.841 -19.082 1.00 3.79 C ATOM 1092 CE LYS A 70 -26.580 9.327 -18.697 1.00 4.45 C ATOM 1093 NZ LYS A 70 -27.581 10.133 -19.458 1.00 4.84 N ATOM 0 H LYS A 70 -26.878 6.489 -23.874 1.00 1.40 H new ATOM 0 HA LYS A 70 -26.749 8.573 -23.158 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -24.719 7.650 -21.086 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -25.476 9.230 -21.133 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -27.730 8.131 -20.908 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -26.939 6.571 -20.796 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -27.424 7.348 -18.540 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -25.687 7.365 -18.771 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -26.771 9.428 -17.629 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -25.581 9.723 -18.881 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -27.702 11.059 -19.000 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -27.247 10.270 -20.433 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -28.492 9.632 -19.472 1.00 4.84 H new ATOM 1107 N LYS A 71 -23.534 7.971 -23.696 1.00 1.80 N ATOM 1108 CA LYS A 71 -22.336 8.430 -24.405 1.00 2.22 C ATOM 1109 C LYS A 71 -21.736 7.264 -25.193 1.00 2.19 C ATOM 1110 O LYS A 71 -21.836 6.107 -24.772 1.00 2.78 O ATOM 1111 CB LYS A 71 -21.304 8.974 -23.410 1.00 2.97 C ATOM 1112 CG LYS A 71 -21.896 10.074 -22.515 1.00 3.56 C ATOM 1113 CD LYS A 71 -20.808 10.989 -21.949 1.00 4.44 C ATOM 1114 CE LYS A 71 -21.373 12.364 -21.578 1.00 5.27 C ATOM 1115 NZ LYS A 71 -21.838 13.114 -22.780 1.00 5.62 N ATOM 0 H LYS A 71 -23.413 7.077 -23.219 1.00 1.80 H new ATOM 0 HA LYS A 71 -22.612 9.231 -25.091 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.935 8.159 -22.788 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -20.448 9.371 -23.955 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -22.608 10.667 -23.090 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -22.450 9.617 -21.695 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -20.363 10.527 -21.068 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -20.011 11.107 -22.683 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -22.203 12.240 -20.883 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -20.608 12.944 -21.061 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -21.811 14.135 -22.584 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -21.216 12.900 -23.585 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -22.812 12.831 -23.010 1.00 5.62 H new ATOM 1129 N LYS A 72 -21.110 7.572 -26.332 1.00 2.22 N ATOM 1130 CA LYS A 72 -20.488 6.550 -27.187 1.00 2.54 C ATOM 1131 C LYS A 72 -19.190 6.037 -26.557 1.00 1.92 C ATOM 1132 O LYS A 72 -18.089 6.412 -26.970 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.207 7.103 -28.595 1.00 3.71 C ATOM 1134 CG LYS A 72 -21.503 7.393 -29.359 1.00 4.59 C ATOM 1135 CD LYS A 72 -21.321 7.195 -30.874 1.00 5.67 C ATOM 1136 CE LYS A 72 -22.480 6.404 -31.487 1.00 6.56 C ATOM 1137 NZ LYS A 72 -23.778 7.124 -31.339 1.00 7.03 N ATOM 0 H LYS A 72 -21.019 8.524 -26.687 1.00 2.22 H new ATOM 0 HA LYS A 72 -21.189 5.720 -27.277 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.619 8.017 -28.516 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -19.607 6.385 -29.155 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -22.294 6.736 -28.998 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -21.822 8.416 -29.161 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -21.246 8.167 -31.361 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -20.384 6.671 -31.062 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -22.281 6.226 -32.544 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -22.548 5.428 -31.007 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -24.306 7.074 -32.233 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -24.336 6.681 -30.582 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -23.597 8.120 -31.098 1.00 7.03 H new ATOM 1151 N LYS A 73 -19.333 5.175 -25.555 1.00 1.52 N ATOM 1152 CA LYS A 73 -18.196 4.588 -24.846 1.00 1.35 C ATOM 1153 C LYS A 73 -18.100 3.098 -25.193 1.00 1.05 C ATOM 1154 O LYS A 73 -18.280 2.711 -26.347 1.00 1.79 O ATOM 1155 CB LYS A 73 -18.376 4.781 -23.331 1.00 1.94 C ATOM 1156 CG LYS A 73 -18.627 6.247 -22.949 1.00 2.32 C ATOM 1157 CD LYS A 73 -17.333 7.062 -22.934 1.00 2.93 C ATOM 1158 CE LYS A 73 -17.518 8.390 -22.190 1.00 3.52 C ATOM 1159 NZ LYS A 73 -16.212 9.020 -21.854 1.00 3.96 N ATOM 0 H LYS A 73 -20.240 4.862 -25.210 1.00 1.52 H new ATOM 0 HA LYS A 73 -17.273 5.082 -25.150 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -19.212 4.172 -22.987 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -17.486 4.422 -22.814 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -19.328 6.691 -23.656 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -19.095 6.291 -21.966 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -16.542 6.483 -22.457 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -17.012 7.258 -23.957 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -18.104 9.073 -22.805 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -18.085 8.219 -21.275 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -16.378 9.916 -21.352 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -15.663 8.379 -21.246 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -15.681 9.207 -22.729 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.831 2.274 -24.185 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.724 0.823 -24.348 1.00 0.38 C ATOM 1175 C HIS A 74 -18.220 0.171 -23.062 1.00 0.30 C ATOM 1176 O HIS A 74 -17.434 -0.364 -22.277 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.269 0.412 -24.640 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.790 0.841 -25.997 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.795 1.766 -26.191 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.186 0.485 -27.245 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.589 1.974 -27.467 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.427 1.204 -28.147 1.00 1.53 N ATOM 0 H HIS A 74 -17.680 2.592 -23.228 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.328 0.495 -25.194 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.618 0.843 -23.880 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.182 -0.671 -24.558 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.956 -0.232 -27.489 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.864 2.653 -27.891 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.499 1.152 -29.163 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.533 0.250 -22.841 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.170 -0.296 -21.637 1.00 0.23 C ATOM 1192 C VAL A 75 -20.892 -1.606 -21.967 1.00 0.22 C ATOM 1193 O VAL A 75 -21.256 -1.853 -23.116 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.192 0.724 -21.076 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.784 0.256 -19.741 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.574 2.114 -20.901 1.00 0.31 C ATOM 0 H VAL A 75 -20.185 0.693 -23.488 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.399 -0.490 -20.892 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.993 0.790 -21.812 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.496 0.997 -19.379 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.293 -0.697 -19.883 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.984 0.135 -19.011 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.324 2.799 -20.506 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.735 2.055 -20.207 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -20.222 2.480 -21.866 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.139 -2.418 -20.943 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.879 -3.670 -21.103 1.00 0.23 C ATOM 1208 C PHE A 76 -22.724 -3.908 -19.853 1.00 0.22 C ATOM 1209 O PHE A 76 -22.271 -3.676 -18.728 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.962 -4.867 -21.418 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.824 -5.105 -20.451 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.607 -4.470 -20.639 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.014 -5.920 -19.348 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.582 -4.650 -19.723 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.986 -6.107 -18.437 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.708 -5.615 -18.736 1.00 0.29 C ATOM 0 H PHE A 76 -20.836 -2.231 -19.987 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.535 -3.578 -21.969 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.574 -5.768 -21.456 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.542 -4.725 -22.414 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.457 -3.835 -21.499 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.964 -6.411 -19.197 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.691 -4.042 -19.778 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.168 -6.626 -17.507 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.839 -5.980 -18.208 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.966 -4.341 -20.065 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.922 -4.586 -18.981 1.00 0.28 C ATOM 1228 C LYS A 77 -24.759 -6.006 -18.438 1.00 0.31 C ATOM 1229 O LYS A 77 -25.219 -6.966 -19.054 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.349 -4.360 -19.513 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.271 -3.712 -18.474 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.800 -4.728 -17.455 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.784 -5.733 -18.077 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.893 -5.065 -18.815 1.00 1.95 N ATOM 0 H LYS A 77 -24.340 -4.533 -20.994 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.733 -3.894 -18.160 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.306 -3.727 -20.400 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.772 -5.315 -19.823 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -26.729 -2.924 -17.951 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -28.111 -3.238 -18.982 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -26.961 -5.270 -17.019 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.295 -4.197 -16.642 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.244 -6.391 -18.758 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.202 -6.361 -17.290 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.796 -5.517 -18.568 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.927 -4.059 -18.555 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.731 -5.153 -19.839 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.115 -6.120 -17.279 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.888 -7.411 -16.625 1.00 0.24 C ATOM 1250 C LEU A 78 -25.021 -7.685 -15.630 1.00 0.29 C ATOM 1251 O LEU A 78 -25.157 -6.994 -14.617 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.524 -7.404 -15.905 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.126 -8.786 -15.361 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.720 -8.998 -13.977 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.540 -9.920 -16.305 1.00 0.30 C ATOM 0 H LEU A 78 -23.736 -5.324 -16.766 1.00 0.23 H new ATOM 0 HA LEU A 78 -23.877 -8.202 -17.374 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.756 -7.057 -16.596 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.558 -6.691 -15.081 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.039 -8.809 -15.290 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.431 -9.980 -13.603 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -22.349 -8.228 -13.300 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -23.807 -8.937 -14.034 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.238 -10.877 -15.879 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.622 -9.907 -16.437 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -22.055 -9.784 -17.272 1.00 0.30 H new ATOM 1267 N ARG A 79 -25.832 -8.694 -15.936 1.00 0.31 N ATOM 1268 CA ARG A 79 -26.965 -9.092 -15.101 1.00 0.40 C ATOM 1269 C ARG A 79 -26.714 -10.488 -14.536 1.00 0.45 C ATOM 1270 O ARG A 79 -26.592 -11.452 -15.297 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.252 -9.098 -15.944 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.508 -9.275 -15.080 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.349 -10.469 -15.536 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.719 -10.347 -15.020 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.041 -10.705 -13.775 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.399 -11.954 -13.513 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.007 -9.800 -12.804 1.00 2.99 N ATOM 0 H ARG A 79 -25.722 -9.263 -16.775 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.077 -8.384 -14.280 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.324 -8.164 -16.501 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.201 -9.903 -16.677 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.216 -9.413 -14.039 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.111 -8.368 -15.125 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.365 -10.518 -16.625 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -29.900 -11.397 -15.182 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.447 -9.977 -15.632 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.429 -12.644 -14.264 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -32.645 -12.225 -12.561 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -31.736 -8.839 -13.012 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -32.252 -10.066 -11.850 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.655 -10.608 -13.204 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.440 -11.913 -12.555 1.00 0.68 C ATOM 1293 C LEU A 80 -27.686 -12.797 -12.733 1.00 0.84 C ATOM 1294 O LEU A 80 -28.699 -12.347 -13.279 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.143 -11.722 -11.063 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.887 -10.870 -10.829 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.672 -10.623 -9.337 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.654 -11.535 -11.441 1.00 1.26 C ATOM 0 H LEU A 80 -26.752 -9.826 -12.557 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.585 -12.402 -13.022 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.998 -11.247 -10.581 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.013 -12.696 -10.592 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.037 -9.909 -11.321 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.777 -10.018 -9.194 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.535 -10.098 -8.927 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.551 -11.577 -8.824 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.778 -10.912 -11.262 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.503 -12.513 -10.984 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.800 -11.655 -12.514 1.00 1.26 H new ATOM 1310 N SER A 81 -27.614 -14.048 -12.270 1.00 1.01 N ATOM 1311 CA SER A 81 -28.737 -14.996 -12.379 1.00 1.23 C ATOM 1312 C SER A 81 -30.032 -14.394 -11.807 1.00 1.40 C ATOM 1313 O SER A 81 -31.087 -14.452 -12.443 1.00 1.92 O ATOM 1314 CB SER A 81 -28.386 -16.317 -11.668 1.00 1.52 C ATOM 1315 OG SER A 81 -27.255 -16.167 -10.809 1.00 2.18 O ATOM 0 H SER A 81 -26.787 -14.433 -11.813 1.00 1.01 H new ATOM 0 HA SER A 81 -28.909 -15.202 -13.435 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.243 -16.657 -11.086 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.180 -17.087 -12.411 1.00 1.52 H new ATOM 0 HG SER A 81 -26.476 -16.601 -11.215 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.929 -13.805 -10.617 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.063 -13.160 -9.939 1.00 1.76 C ATOM 1323 C ASP A 82 -30.571 -12.517 -8.638 1.00 1.31 C ATOM 1324 O ASP A 82 -31.084 -12.804 -7.554 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.194 -14.176 -9.644 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.550 -13.470 -9.582 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -33.895 -12.748 -10.545 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -34.275 -13.635 -8.580 1.00 3.77 O ATOM 0 H ASP A 82 -29.057 -13.759 -10.091 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.474 -12.393 -10.596 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -32.212 -14.943 -10.418 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -31.998 -14.682 -8.699 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.555 -11.663 -8.750 1.00 1.09 N ATOM 1334 CA GLY A 83 -28.968 -10.996 -7.588 1.00 1.53 C ATOM 1335 C GLY A 83 -28.947 -9.481 -7.753 1.00 1.31 C ATOM 1336 O GLY A 83 -29.728 -8.770 -7.083 1.00 1.88 O ATOM 0 H GLY A 83 -29.119 -11.415 -9.638 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -29.536 -11.256 -6.695 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -27.951 -11.359 -7.436 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.040 -8.991 -8.626 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.872 -7.560 -8.878 1.00 0.71 C ATOM 1342 C ASN A 84 -27.581 -7.336 -10.361 1.00 0.62 C ATOM 1343 O ASN A 84 -27.276 -8.289 -11.090 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.690 -7.018 -8.050 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.858 -7.287 -6.549 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.926 -6.771 -5.957 1.00 1.73 O flip ATOM 1347 ND2 ASN A 84 -26.036 -7.962 -5.932 1.00 1.32 N flip ATOM 0 H ASN A 84 -27.410 -9.581 -9.169 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.786 -7.039 -8.594 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.765 -7.478 -8.398 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.595 -5.945 -8.216 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.224 -8.345 -6.416 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.166 -8.139 -4.936 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.663 -6.072 -10.790 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.407 -5.670 -12.180 1.00 0.55 C ATOM 1356 C GLU A 85 -26.443 -4.484 -12.195 1.00 0.47 C ATOM 1357 O GLU A 85 -26.679 -3.481 -11.513 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.727 -5.279 -12.835 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.488 -6.522 -13.301 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.975 -6.238 -13.447 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.351 -5.064 -13.626 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.770 -7.196 -13.392 1.00 1.39 O ATOM 0 H GLU A 85 -27.910 -5.293 -10.180 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.961 -6.497 -12.732 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.337 -4.717 -12.128 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.537 -4.623 -13.684 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.085 -6.861 -14.255 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.339 -7.331 -12.586 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.352 -4.597 -12.959 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.343 -3.525 -13.026 1.00 0.31 C ATOM 1371 C TYR A 86 -23.934 -3.183 -14.465 1.00 0.29 C ATOM 1372 O TYR A 86 -24.074 -3.995 -15.382 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.077 -3.955 -12.268 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.315 -4.610 -10.923 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.080 -3.978 -9.960 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.720 -5.829 -10.635 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.243 -4.553 -8.717 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.898 -6.412 -9.394 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.654 -5.766 -8.439 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.802 -6.322 -7.193 1.00 0.77 O ATOM 0 H TYR A 86 -25.142 -5.411 -13.537 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.799 -2.643 -12.577 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.516 -4.647 -12.896 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.448 -3.078 -12.119 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -24.551 -3.032 -10.182 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.116 -6.324 -11.381 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.832 -4.052 -7.963 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.447 -7.368 -9.174 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.776 -5.616 -6.514 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.360 -1.982 -14.616 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.827 -1.488 -15.893 1.00 0.23 C ATOM 1392 C LEU A 87 -21.304 -1.455 -15.770 1.00 0.22 C ATOM 1393 O LEU A 87 -20.777 -0.910 -14.792 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.320 -0.067 -16.208 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.841 0.038 -16.282 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.246 1.392 -16.857 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.433 -1.090 -17.121 1.00 0.38 C ATOM 0 H LEU A 87 -23.251 -1.320 -13.848 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.164 -2.145 -16.695 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.952 0.617 -15.443 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.893 0.257 -17.157 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.236 -0.053 -15.270 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.333 1.456 -16.905 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.864 2.188 -16.218 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.831 1.501 -17.859 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.518 -0.988 -17.155 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.032 -1.039 -18.133 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.173 -2.050 -16.675 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.602 -2.037 -16.736 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.137 -2.080 -16.717 1.00 0.19 C ATOM 1411 C PHE A 88 -18.567 -1.403 -17.961 1.00 0.20 C ATOM 1412 O PHE A 88 -18.927 -1.764 -19.080 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.667 -3.532 -16.662 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.778 -4.143 -15.284 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.971 -3.691 -14.253 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.698 -5.151 -15.050 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.087 -4.246 -12.990 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.813 -5.705 -13.790 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.953 -5.273 -12.764 1.00 0.22 C ATOM 0 H PHE A 88 -21.023 -2.489 -17.548 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.782 -1.547 -15.835 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.255 -4.124 -17.363 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.630 -3.584 -16.993 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.252 -2.906 -14.434 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.327 -5.505 -15.854 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.487 -3.862 -12.178 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.557 -6.463 -13.594 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.979 -5.755 -11.798 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.665 -0.434 -17.767 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.037 0.287 -18.886 1.00 0.26 C ATOM 1431 C GLN A 89 -15.584 -0.151 -19.059 1.00 0.22 C ATOM 1432 O GLN A 89 -14.838 -0.264 -18.080 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.077 1.804 -18.656 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.096 2.572 -19.980 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.943 4.072 -19.729 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.207 4.754 -20.440 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.632 4.590 -18.721 1.00 1.63 N ATOM 0 H GLN A 89 -17.352 -0.129 -16.845 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.601 0.047 -19.787 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.961 2.061 -18.072 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.209 2.107 -18.071 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.289 2.220 -20.623 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -18.031 2.379 -20.506 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -18.232 3.992 -18.153 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.561 5.586 -18.514 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.195 -0.363 -20.316 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.829 -0.756 -20.676 1.00 0.24 C ATOM 1448 C ALA A 90 -13.129 0.421 -21.361 1.00 0.27 C ATOM 1449 O ALA A 90 -13.792 1.325 -21.882 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.868 -1.962 -21.621 1.00 0.29 C ATOM 0 H ALA A 90 -15.819 -0.267 -21.117 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.279 -1.031 -19.776 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.851 -2.250 -21.885 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.364 -2.797 -21.126 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.417 -1.698 -22.525 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.795 0.404 -21.375 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.005 1.479 -22.011 1.00 0.44 C ATOM 1458 C LYS A 91 -10.692 1.148 -23.478 1.00 0.49 C ATOM 1459 O LYS A 91 -10.177 1.993 -24.215 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.699 1.735 -21.238 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.981 0.438 -20.842 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.259 0.078 -19.381 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.393 -1.098 -18.911 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.087 -1.925 -17.881 1.00 2.29 N ATOM 0 H LYS A 91 -11.233 -0.337 -20.956 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.610 2.386 -21.985 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.032 2.342 -21.850 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.920 2.312 -20.340 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.310 -0.375 -21.489 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -7.908 0.552 -20.994 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.068 0.946 -18.750 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.312 -0.176 -19.263 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.136 -1.724 -19.766 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -7.457 -0.718 -18.501 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -8.418 -2.613 -17.480 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.445 -1.308 -17.124 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -9.883 -2.431 -18.320 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.005 -0.080 -23.891 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.762 -0.544 -25.262 1.00 0.66 C ATOM 1480 C ASP A 92 -11.925 -1.428 -25.723 1.00 0.59 C ATOM 1481 O ASP A 92 -12.502 -2.176 -24.926 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.439 -1.331 -25.317 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.932 -1.458 -26.749 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.535 -2.211 -27.536 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -7.929 -0.800 -27.091 1.00 2.01 O ATOM 0 H ASP A 92 -11.434 -0.782 -23.288 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.689 0.316 -25.928 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.689 -0.829 -24.706 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.585 -2.324 -24.891 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.260 -1.354 -27.016 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.350 -2.165 -27.591 1.00 0.63 C ATOM 1492 C ASP A 93 -12.988 -3.660 -27.562 1.00 0.49 C ATOM 1493 O ASP A 93 -13.858 -4.516 -27.386 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.693 -1.679 -29.021 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.781 -2.280 -30.095 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.685 -1.729 -30.324 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -13.152 -3.308 -30.697 1.00 2.21 O ATOM 0 H ASP A 93 -11.795 -0.743 -27.687 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.243 -2.037 -26.980 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.728 -1.935 -29.247 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.619 -0.592 -29.056 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.688 -3.955 -27.693 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.181 -5.332 -27.648 1.00 0.41 C ATOM 1504 C GLU A 94 -11.333 -5.873 -26.221 1.00 0.36 C ATOM 1505 O GLU A 94 -11.734 -7.020 -26.014 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.708 -5.356 -28.086 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.105 -6.768 -28.081 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.748 -7.644 -29.149 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.942 -7.159 -30.281 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -10.066 -8.814 -28.861 1.00 2.59 O ATOM 0 H GLU A 94 -10.963 -3.251 -27.832 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.751 -5.964 -28.330 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.625 -4.935 -29.088 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.127 -4.716 -27.422 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -8.030 -6.708 -28.254 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.245 -7.223 -27.100 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.040 -5.012 -25.235 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.161 -5.358 -23.811 1.00 0.29 C ATOM 1519 C GLU A 95 -12.624 -5.674 -23.474 1.00 0.24 C ATOM 1520 O GLU A 95 -12.910 -6.665 -22.805 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.666 -4.193 -22.942 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.346 -4.641 -21.508 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.506 -3.482 -20.521 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.649 -2.327 -20.975 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.496 -3.721 -19.295 1.00 1.30 O ATOM 0 H GLU A 95 -10.714 -4.060 -25.401 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.549 -6.237 -23.607 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.775 -3.757 -23.393 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.425 -3.411 -22.917 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.007 -5.459 -21.223 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.327 -5.024 -21.462 1.00 0.42 H new ATOM 1532 N MET A 96 -13.540 -4.832 -23.969 1.00 0.24 N ATOM 1533 CA MET A 96 -14.986 -5.010 -23.751 1.00 0.22 C ATOM 1534 C MET A 96 -15.448 -6.379 -24.269 1.00 0.22 C ATOM 1535 O MET A 96 -16.160 -7.106 -23.573 1.00 0.23 O ATOM 1536 CB MET A 96 -15.755 -3.885 -24.459 1.00 0.26 C ATOM 1537 CG MET A 96 -17.274 -4.028 -24.299 1.00 0.39 C ATOM 1538 SD MET A 96 -18.076 -4.560 -25.825 1.00 0.94 S ATOM 1539 CE MET A 96 -18.494 -2.975 -26.565 1.00 0.77 C ATOM 0 H MET A 96 -13.305 -4.012 -24.529 1.00 0.24 H new ATOM 0 HA MET A 96 -15.189 -4.966 -22.681 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.439 -2.923 -24.057 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.502 -3.886 -25.519 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.488 -4.748 -23.509 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.695 -3.074 -23.983 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.800 -3.126 -27.600 1.00 0.77 H new ATOM 0 HE2 MET A 96 -19.312 -2.518 -26.008 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.624 -2.319 -26.536 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.019 -6.731 -25.482 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.371 -8.024 -26.092 1.00 0.28 C ATOM 1551 C ASN A 97 -14.814 -9.184 -25.249 1.00 0.26 C ATOM 1552 O ASN A 97 -15.495 -10.186 -25.022 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.815 -8.091 -27.526 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.552 -9.139 -28.371 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.662 -9.556 -28.043 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.937 -9.559 -29.467 1.00 1.24 N ATOM 0 H ASN A 97 -14.426 -6.141 -26.066 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.457 -8.115 -26.127 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.907 -7.113 -27.998 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.752 -8.331 -27.494 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.384 -10.250 -30.070 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -14.017 -9.191 -29.708 1.00 1.24 H new ATOM 1563 N THR A 98 -13.573 -9.022 -24.771 1.00 0.25 N ATOM 1564 CA THR A 98 -12.903 -10.032 -23.935 1.00 0.27 C ATOM 1565 C THR A 98 -13.629 -10.190 -22.589 1.00 0.23 C ATOM 1566 O THR A 98 -13.785 -11.303 -22.089 1.00 0.27 O ATOM 1567 CB THR A 98 -11.430 -9.633 -23.705 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.833 -9.230 -24.933 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.621 -10.787 -23.105 1.00 0.39 C ATOM 0 H THR A 98 -13.007 -8.193 -24.950 1.00 0.25 H new ATOM 0 HA THR A 98 -12.934 -10.990 -24.455 1.00 0.27 H new ATOM 0 HB THR A 98 -11.422 -8.803 -22.999 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.999 -8.275 -25.080 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.589 -10.469 -22.957 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.053 -11.075 -22.147 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.644 -11.639 -23.784 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.075 -9.068 -22.014 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.792 -9.065 -20.726 1.00 0.20 C ATOM 1579 C TRP A 99 -16.102 -9.849 -20.831 1.00 0.21 C ATOM 1580 O TRP A 99 -16.386 -10.711 -19.996 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.073 -7.619 -20.268 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.960 -7.043 -19.444 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.197 -5.949 -19.742 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.480 -7.542 -18.179 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.288 -5.762 -18.740 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.428 -6.712 -17.775 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.838 -8.614 -17.361 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.739 -6.923 -16.590 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.155 -8.830 -16.174 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.112 -7.996 -15.793 1.00 0.29 C ATOM 0 H TRP A 99 -13.952 -8.141 -22.421 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.158 -9.551 -19.984 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.233 -6.990 -21.144 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.996 -7.599 -19.688 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.296 -5.334 -20.624 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.597 -5.012 -18.718 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.643 -9.272 -17.651 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.932 -6.268 -16.295 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.437 -9.656 -15.538 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.587 -8.184 -14.868 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.888 -9.556 -21.871 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.166 -10.238 -22.109 1.00 0.24 C ATOM 1603 C ILE A 100 -17.935 -11.744 -22.313 1.00 0.28 C ATOM 1604 O ILE A 100 -18.635 -12.578 -21.729 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.868 -9.615 -23.327 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.290 -8.173 -23.016 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.092 -10.439 -23.749 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.714 -7.424 -24.279 1.00 0.29 C ATOM 0 H ILE A 100 -16.660 -8.846 -22.567 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.810 -10.113 -21.239 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.159 -9.612 -24.155 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.115 -8.181 -22.303 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.463 -7.646 -22.541 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.565 -9.971 -24.612 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.778 -11.450 -24.010 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.803 -10.482 -22.924 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.006 -6.407 -24.018 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.881 -7.394 -24.981 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.558 -7.937 -24.740 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.927 -12.083 -23.126 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.572 -13.482 -23.398 1.00 0.35 C ATOM 1622 C GLN A 101 -16.087 -14.183 -22.123 1.00 0.36 C ATOM 1623 O GLN A 101 -16.462 -15.327 -21.857 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.486 -13.551 -24.479 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.072 -13.304 -25.872 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.960 -13.208 -26.916 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -13.881 -13.773 -26.742 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.223 -12.503 -28.004 1.00 1.76 N ATOM 0 H GLN A 101 -16.340 -11.404 -23.610 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.465 -13.996 -23.754 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.714 -12.810 -24.270 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.005 -14.529 -24.452 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.755 -14.113 -26.134 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.655 -12.383 -25.869 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.130 -12.049 -28.111 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.518 -12.413 -28.736 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.265 -13.487 -21.327 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.737 -14.034 -20.069 1.00 0.37 C ATOM 1639 C ALA A 102 -15.882 -14.393 -19.121 1.00 0.38 C ATOM 1640 O ALA A 102 -15.893 -15.467 -18.525 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.808 -13.019 -19.399 1.00 0.38 C ATOM 0 H ALA A 102 -14.950 -12.539 -21.533 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.172 -14.938 -20.297 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.424 -13.436 -18.468 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.976 -12.792 -20.066 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.362 -12.105 -19.185 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.854 -13.486 -19.005 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.028 -13.694 -18.146 1.00 0.38 C ATOM 1649 C ILE A 103 -18.857 -14.893 -18.644 1.00 0.47 C ATOM 1650 O ILE A 103 -19.470 -15.601 -17.846 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.870 -12.401 -18.117 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.118 -11.300 -17.350 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.252 -12.632 -17.486 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.469 -9.894 -17.853 1.00 0.35 C ATOM 0 H ILE A 103 -16.853 -12.593 -19.498 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.703 -13.923 -17.131 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.027 -12.085 -19.149 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.355 -11.373 -16.289 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.044 -11.461 -17.448 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.812 -11.697 -17.485 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.795 -13.380 -18.063 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.130 -12.983 -16.461 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.912 -9.153 -17.280 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.207 -9.809 -18.908 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.538 -9.720 -17.730 1.00 0.35 H new ATOM 1666 N SER A 104 -18.856 -15.123 -19.963 1.00 0.53 N ATOM 1667 CA SER A 104 -19.596 -16.244 -20.560 1.00 0.66 C ATOM 1668 C SER A 104 -18.832 -17.572 -20.405 1.00 0.72 C ATOM 1669 O SER A 104 -19.444 -18.641 -20.357 1.00 0.89 O ATOM 1670 CB SER A 104 -19.852 -15.970 -22.049 1.00 0.81 C ATOM 1671 OG SER A 104 -20.359 -14.654 -22.253 1.00 1.05 O ATOM 0 H SER A 104 -18.351 -14.548 -20.638 1.00 0.53 H new ATOM 0 HA SER A 104 -20.545 -16.334 -20.032 1.00 0.66 H new ATOM 0 HB2 SER A 104 -18.925 -16.096 -22.609 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.562 -16.700 -22.439 1.00 0.81 H new ATOM 0 HG SER A 104 -19.650 -14.000 -22.081 1.00 1.05 H new ATOM 1677 N SER A 105 -17.498 -17.498 -20.351 1.00 0.80 N ATOM 1678 CA SER A 105 -16.641 -18.692 -20.229 1.00 1.13 C ATOM 1679 C SER A 105 -16.198 -18.954 -18.778 1.00 1.23 C ATOM 1680 O SER A 105 -15.501 -19.938 -18.516 1.00 1.61 O ATOM 1681 CB SER A 105 -15.398 -18.529 -21.119 1.00 1.48 C ATOM 1682 OG SER A 105 -15.736 -17.918 -22.362 1.00 1.63 O ATOM 0 H SER A 105 -16.981 -16.619 -20.390 1.00 0.80 H new ATOM 0 HA SER A 105 -17.233 -19.549 -20.552 1.00 1.13 H new ATOM 0 HB2 SER A 105 -14.653 -17.923 -20.603 1.00 1.48 H new ATOM 0 HB3 SER A 105 -14.946 -19.504 -21.300 1.00 1.48 H new ATOM 0 HG SER A 105 -15.925 -16.967 -22.218 1.00 1.63 H new ATOM 1688 N ALA A 106 -16.578 -18.078 -17.847 1.00 1.29 N ATOM 1689 CA ALA A 106 -16.199 -18.219 -16.435 1.00 1.59 C ATOM 1690 C ALA A 106 -17.085 -19.252 -15.733 1.00 2.40 C ATOM 1691 O ALA A 106 -17.035 -20.439 -16.109 1.00 3.00 O ATOM 1692 CB ALA A 106 -16.307 -16.862 -15.733 1.00 1.90 C ATOM 1693 OXT ALA A 106 -17.821 -18.878 -14.799 1.00 3.05 O ATOM 0 H ALA A 106 -17.151 -17.258 -18.044 1.00 1.29 H new ATOM 0 HA ALA A 106 -15.168 -18.568 -16.384 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -16.025 -16.971 -14.686 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -15.640 -16.148 -16.216 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -17.333 -16.500 -15.797 1.00 1.90 H new TER 1699 ALA A 106