USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=30 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 73 LYS NZ :NH3+ -179:sc= 0.726 (180deg=-0.125) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.531 K(o=1.3,f=-2.9) USER MOD Set 2.1: A 84 ASN :FLIP amide:sc= -2.37! C(o=-3.7!,f=-2!) USER MOD Set 2.2: A 86 TYR OH : rot 10:sc= 0.377 USER MOD Set 3.1: A 32 ASN : amide:sc= 0.696 K(o=1.6,f=-1.4) USER MOD Set 3.2: A 33 GLN : amide:sc= 0.868 K(o=1.6,f=-0.059) USER MOD Set 4.1: A 24 HIS : no HE2:sc= 0.195 K(o=0.41,f=-0.2) USER MOD Set 4.2: A 50 TYR OH : rot 162:sc= 0.212 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= 0.791 K(o=0.79,f=-0.073) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= 1.91 (180deg=1.21) USER MOD Single : A 9 HIS : no HE2:sc= -0.63! C(o=-0.63!,f=-5!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.00372 X(o=0.0037,f=0) USER MOD Single : A 27 TYR OH : rot 151:sc= 0 USER MOD Single : A 28 CYS SG : rot -73:sc= 0.21 USER MOD Single : A 31 ASN : amide:sc= -0.749 K(o=-0.75,f=-4.4!) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.827 (180deg=-4.39!) 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+ -156:sc= 1.22 (180deg=0.907) USER MOD Single : A 43 SER OG : rot 85:sc= 0.863 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HE2:sc= 0.13 F(o=-0.55,f=0.13) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 4:sc= 0.351 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.154) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-2) USER MOD Single : A 77 LYS NZ :NH3+ -149:sc= 1.25 (180deg=-0.285) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= 2.29 (180deg=2.01) USER MOD Single : A 96 MET CE :methyl 140:sc= -0.443 (180deg=-2.13) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 98 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 75:sc= 1.28 USER MOD Single : A 105 SER OG : rot 74:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.768 -11.024 -18.523 1.00 1.74 N ATOM 2 CA MET A 1 -8.157 -11.137 -18.006 1.00 1.02 C ATOM 3 C MET A 1 -8.351 -10.185 -16.825 1.00 0.87 C ATOM 4 O MET A 1 -9.174 -9.271 -16.884 1.00 1.29 O ATOM 5 CB MET A 1 -8.471 -12.584 -17.590 1.00 1.60 C ATOM 6 CG MET A 1 -9.958 -12.764 -17.265 1.00 2.33 C ATOM 7 SD MET A 1 -10.696 -14.146 -18.157 1.00 3.31 S ATOM 8 CE MET A 1 -10.119 -15.544 -17.179 1.00 4.33 C ATOM 0 H1 MET A 1 -6.642 -11.673 -19.326 1.00 1.74 H new ATOM 0 H2 MET A 1 -6.593 -10.048 -18.837 1.00 1.74 H new ATOM 0 H3 MET A 1 -6.096 -11.271 -17.769 1.00 1.74 H new ATOM 0 HA MET A 1 -8.848 -10.860 -18.802 1.00 1.02 H new ATOM 0 HB2 MET A 1 -8.188 -13.264 -18.393 1.00 1.60 H new ATOM 0 HB3 MET A 1 -7.872 -12.852 -16.720 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.076 -12.923 -16.193 1.00 2.33 H new ATOM 0 HG3 MET A 1 -10.494 -11.848 -17.512 1.00 2.33 H new ATOM 0 HE1 MET A 1 -10.497 -16.471 -17.611 1.00 4.33 H new ATOM 0 HE2 MET A 1 -9.029 -15.562 -17.178 1.00 4.33 H new ATOM 0 HE3 MET A 1 -10.481 -15.446 -16.156 1.00 4.33 H new ATOM 20 N GLU A 2 -7.584 -10.403 -15.752 1.00 0.51 N ATOM 21 CA GLU A 2 -7.655 -9.569 -14.538 1.00 0.37 C ATOM 22 C GLU A 2 -7.207 -8.135 -14.849 1.00 0.34 C ATOM 23 O GLU A 2 -6.180 -7.929 -15.506 1.00 0.48 O ATOM 24 CB GLU A 2 -6.750 -10.163 -13.445 1.00 0.53 C ATOM 25 CG GLU A 2 -7.436 -11.295 -12.668 1.00 0.96 C ATOM 26 CD GLU A 2 -7.759 -12.476 -13.575 1.00 1.61 C ATOM 27 OE1 GLU A 2 -6.828 -13.028 -14.196 1.00 2.09 O ATOM 28 OE2 GLU A 2 -8.945 -12.862 -13.656 1.00 2.16 O ATOM 0 H GLU A 2 -6.899 -11.157 -15.696 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.687 -9.550 -14.187 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.835 -10.542 -13.901 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.458 -9.375 -12.751 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.789 -11.625 -11.855 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.354 -10.922 -12.213 1.00 0.96 H new ATOM 35 N GLY A 3 -7.963 -7.154 -14.370 1.00 0.25 N ATOM 36 CA GLY A 3 -7.629 -5.747 -14.597 1.00 0.28 C ATOM 37 C GLY A 3 -8.704 -4.809 -14.044 1.00 0.22 C ATOM 38 O GLY A 3 -9.647 -5.239 -13.370 1.00 0.22 O ATOM 0 H GLY A 3 -8.811 -7.303 -13.823 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.672 -5.520 -14.126 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.508 -5.570 -15.666 1.00 0.28 H new ATOM 42 N PHE A 4 -8.544 -3.516 -14.334 1.00 0.24 N ATOM 43 CA PHE A 4 -9.480 -2.483 -13.875 1.00 0.21 C ATOM 44 C PHE A 4 -10.736 -2.449 -14.740 1.00 0.22 C ATOM 45 O PHE A 4 -10.704 -2.777 -15.928 1.00 0.27 O ATOM 46 CB PHE A 4 -8.804 -1.107 -13.886 1.00 0.23 C ATOM 47 CG PHE A 4 -7.967 -0.873 -12.651 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.579 -0.661 -11.427 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.583 -0.859 -12.743 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.812 -0.438 -10.297 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.816 -0.636 -11.614 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.434 -0.465 -10.379 1.00 0.41 C ATOM 0 H PHE A 4 -7.768 -3.155 -14.890 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.774 -2.731 -12.855 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.174 -1.021 -14.771 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.565 -0.331 -13.959 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.657 -0.670 -11.354 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.104 -1.022 -13.697 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.292 -0.243 -9.349 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.740 -0.595 -11.691 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.837 -0.354 -9.486 1.00 0.41 H new ATOM 62 N LEU A 5 -11.835 -2.039 -14.125 1.00 0.19 N ATOM 63 CA LEU A 5 -13.126 -1.937 -14.795 1.00 0.21 C ATOM 64 C LEU A 5 -13.970 -0.864 -14.111 1.00 0.20 C ATOM 65 O LEU A 5 -13.915 -0.697 -12.889 1.00 0.21 O ATOM 66 CB LEU A 5 -13.874 -3.283 -14.734 1.00 0.23 C ATOM 67 CG LEU A 5 -13.815 -4.049 -16.062 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.555 -5.377 -15.934 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.399 -3.230 -17.217 1.00 0.31 C ATOM 0 H LEU A 5 -11.858 -1.766 -13.142 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.958 -1.672 -15.839 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.444 -3.898 -13.944 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.916 -3.104 -14.467 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.766 -4.239 -16.289 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.507 -5.913 -16.882 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.090 -5.979 -15.153 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.597 -5.189 -15.675 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.339 -3.807 -18.139 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.442 -2.993 -17.005 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.833 -2.305 -17.330 1.00 0.31 H new ATOM 81 N ASN A 6 -14.786 -0.173 -14.892 1.00 0.22 N ATOM 82 CA ASN A 6 -15.692 0.847 -14.356 1.00 0.23 C ATOM 83 C ASN A 6 -16.967 0.125 -13.949 1.00 0.22 C ATOM 84 O ASN A 6 -17.473 -0.676 -14.724 1.00 0.26 O ATOM 85 CB ASN A 6 -15.988 1.932 -15.400 1.00 0.28 C ATOM 86 CG ASN A 6 -14.695 2.586 -15.897 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.342 3.684 -15.471 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.990 1.925 -16.804 1.00 1.24 N ATOM 0 H ASN A 6 -14.844 -0.296 -15.903 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.240 1.354 -13.504 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.525 1.494 -16.242 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.639 2.691 -14.966 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.126 2.326 -17.170 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.311 1.016 -17.136 1.00 1.24 H new ATOM 95 N ARG A 7 -17.451 0.354 -12.729 1.00 0.23 N ATOM 96 CA ARG A 7 -18.646 -0.338 -12.225 1.00 0.24 C ATOM 97 C ARG A 7 -19.715 0.650 -11.759 1.00 0.25 C ATOM 98 O ARG A 7 -19.481 1.456 -10.854 1.00 0.32 O ATOM 99 CB ARG A 7 -18.243 -1.255 -11.056 1.00 0.28 C ATOM 100 CG ARG A 7 -19.428 -2.077 -10.526 1.00 0.34 C ATOM 101 CD ARG A 7 -18.948 -3.199 -9.586 1.00 0.54 C ATOM 102 NE ARG A 7 -19.459 -3.056 -8.206 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.566 -1.876 -7.573 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.641 -0.942 -7.736 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.598 -1.638 -6.771 1.00 1.71 N ATOM 0 H ARG A 7 -17.037 1.012 -12.069 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.069 -0.926 -13.039 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.452 -1.930 -11.383 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.832 -0.650 -10.247 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.119 -1.423 -9.994 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.978 -2.509 -11.362 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.265 -4.162 -9.987 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.858 -3.206 -9.565 1.00 0.54 H new ATOM 0 HE ARG A 7 -19.746 -3.899 -7.708 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.842 -1.117 -8.345 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.728 -0.048 -7.253 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.313 -2.353 -6.634 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -20.675 -0.741 -6.292 1.00 1.71 H new ATOM 119 N LYS A 8 -20.900 0.540 -12.362 1.00 0.27 N ATOM 120 CA LYS A 8 -22.059 1.363 -12.011 1.00 0.29 C ATOM 121 C LYS A 8 -23.122 0.443 -11.429 1.00 0.29 C ATOM 122 O LYS A 8 -23.654 -0.417 -12.134 1.00 0.38 O ATOM 123 CB LYS A 8 -22.609 2.087 -13.242 1.00 0.36 C ATOM 124 CG LYS A 8 -23.498 3.272 -12.850 1.00 0.37 C ATOM 125 CD LYS A 8 -24.844 3.234 -13.581 1.00 0.50 C ATOM 126 CE LYS A 8 -25.910 2.458 -12.787 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.885 3.373 -12.125 1.00 1.02 N ATOM 0 H LYS A 8 -21.084 -0.126 -13.112 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.767 2.123 -11.286 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.781 2.440 -13.857 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -23.182 1.387 -13.850 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.668 3.260 -11.773 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.984 4.205 -13.081 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -25.191 4.253 -13.754 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.712 2.771 -14.559 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.443 1.783 -13.457 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.423 1.840 -12.033 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.753 2.848 -11.895 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.468 3.751 -11.251 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.115 4.158 -12.767 1.00 1.02 H new ATOM 141 N HIS A 9 -23.404 0.597 -10.145 1.00 0.43 N ATOM 142 CA HIS A 9 -24.385 -0.248 -9.458 1.00 0.52 C ATOM 143 C HIS A 9 -25.794 0.347 -9.489 1.00 0.58 C ATOM 144 O HIS A 9 -26.007 1.510 -9.144 1.00 0.73 O ATOM 145 CB HIS A 9 -23.948 -0.521 -8.001 1.00 0.68 C ATOM 146 CG HIS A 9 -23.609 0.701 -7.178 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.315 0.638 -5.839 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.497 2.022 -7.494 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.042 1.824 -5.357 1.00 1.69 C ATOM 150 NE2 HIS A 9 -23.142 2.699 -6.343 1.00 1.75 N ATOM 0 H HIS A 9 -22.968 1.301 -9.550 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.422 -1.192 -10.001 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.747 -1.065 -7.497 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.078 -1.177 -8.019 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -23.310 -0.222 -5.290 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.657 2.460 -8.468 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -22.781 2.048 -4.333 1.00 1.69 H new ATOM 158 N GLU A 10 -26.746 -0.493 -9.892 1.00 0.60 N ATOM 159 CA GLU A 10 -28.169 -0.138 -9.959 1.00 0.73 C ATOM 160 C GLU A 10 -28.912 -0.849 -8.815 1.00 0.83 C ATOM 161 O GLU A 10 -29.862 -0.317 -8.241 1.00 1.00 O ATOM 162 CB GLU A 10 -28.744 -0.557 -11.322 1.00 0.79 C ATOM 163 CG GLU A 10 -30.121 0.064 -11.588 1.00 1.28 C ATOM 164 CD GLU A 10 -30.016 1.569 -11.820 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.067 2.013 -12.497 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.891 2.312 -11.331 1.00 1.72 O ATOM 0 H GLU A 10 -26.552 -1.451 -10.185 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.293 0.940 -9.852 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.055 -0.259 -12.112 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.824 -1.643 -11.362 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.574 -0.410 -12.459 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.780 -0.130 -10.741 1.00 1.28 H new ATOM 173 N TRP A 11 -28.444 -2.056 -8.487 1.00 0.82 N ATOM 174 CA TRP A 11 -28.999 -2.879 -7.416 1.00 0.96 C ATOM 175 C TRP A 11 -27.926 -3.874 -6.975 1.00 0.94 C ATOM 176 O TRP A 11 -27.253 -4.481 -7.816 1.00 0.84 O ATOM 177 CB TRP A 11 -30.243 -3.639 -7.916 1.00 1.08 C ATOM 178 CG TRP A 11 -30.769 -4.663 -6.946 1.00 1.26 C ATOM 179 CD1 TRP A 11 -31.360 -4.435 -5.735 1.00 1.54 C ATOM 180 CD2 TRP A 11 -30.733 -6.095 -7.120 1.00 1.26 C ATOM 181 NE1 TRP A 11 -31.676 -5.641 -5.173 1.00 1.67 N ATOM 182 CE2 TRP A 11 -31.313 -6.669 -5.988 1.00 1.51 C ATOM 183 CE3 TRP A 11 -30.264 -6.937 -8.130 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -31.433 -8.041 -5.840 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -30.382 -8.312 -7.992 1.00 1.35 C ATOM 186 CH2 TRP A 11 -30.962 -8.859 -6.858 1.00 1.53 C ATOM 0 H TRP A 11 -27.657 -2.493 -8.967 1.00 0.82 H new ATOM 0 HA TRP A 11 -29.298 -2.248 -6.579 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.033 -2.919 -8.132 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -29.999 -4.136 -8.855 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -31.546 -3.466 -5.296 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -32.124 -5.755 -4.264 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -29.810 -6.519 -9.016 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -31.882 -8.464 -4.954 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -30.019 -8.962 -8.774 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -31.048 -9.932 -6.766 1.00 1.53 H new ATOM 197 N GLU A 12 -27.782 -4.066 -5.668 1.00 1.16 N ATOM 198 CA GLU A 12 -26.811 -5.016 -5.146 1.00 1.26 C ATOM 199 C GLU A 12 -27.157 -5.420 -3.718 1.00 1.56 C ATOM 200 O GLU A 12 -26.994 -4.638 -2.783 1.00 2.03 O ATOM 201 CB GLU A 12 -25.370 -4.461 -5.225 1.00 1.34 C ATOM 202 CG GLU A 12 -25.181 -3.142 -4.462 1.00 1.63 C ATOM 203 CD GLU A 12 -23.778 -2.584 -4.696 1.00 1.81 C ATOM 204 OE1 GLU A 12 -22.953 -3.265 -5.348 1.00 2.05 O ATOM 205 OE2 GLU A 12 -23.495 -1.466 -4.224 1.00 2.09 O ATOM 0 H GLU A 12 -28.324 -3.578 -4.955 1.00 1.16 H new ATOM 0 HA GLU A 12 -26.856 -5.906 -5.774 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -24.680 -5.205 -4.826 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -25.104 -4.308 -6.271 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -25.926 -2.417 -4.788 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -25.340 -3.306 -3.396 1.00 1.63 H new ATOM 212 N ALA A 13 -27.614 -6.664 -3.569 1.00 1.77 N ATOM 213 CA ALA A 13 -27.961 -7.255 -2.260 1.00 2.14 C ATOM 214 C ALA A 13 -29.439 -7.075 -1.897 1.00 2.15 C ATOM 215 O ALA A 13 -29.857 -5.997 -1.473 1.00 2.54 O ATOM 216 CB ALA A 13 -27.066 -6.693 -1.139 1.00 2.70 C ATOM 0 H ALA A 13 -27.757 -7.300 -4.353 1.00 1.77 H new ATOM 0 HA ALA A 13 -27.781 -8.326 -2.355 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -27.346 -7.147 -0.188 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -26.023 -6.921 -1.357 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -27.196 -5.612 -1.077 1.00 2.70 H new ATOM 222 N HIS A 14 -30.193 -8.177 -2.045 1.00 2.38 N ATOM 223 CA HIS A 14 -31.637 -8.284 -1.728 1.00 2.81 C ATOM 224 C HIS A 14 -32.433 -6.982 -1.961 1.00 2.77 C ATOM 225 O HIS A 14 -32.914 -6.739 -3.067 1.00 3.31 O ATOM 226 CB HIS A 14 -31.806 -8.794 -0.282 1.00 3.51 C ATOM 227 CG HIS A 14 -33.197 -9.279 0.021 1.00 3.99 C ATOM 228 ND1 HIS A 14 -33.999 -8.726 0.987 1.00 4.73 N ATOM 229 CD2 HIS A 14 -33.944 -10.268 -0.528 1.00 4.33 C ATOM 230 CE1 HIS A 14 -35.162 -9.329 1.037 1.00 5.34 C ATOM 231 NE2 HIS A 14 -35.167 -10.283 0.120 1.00 5.13 N ATOM 0 H HIS A 14 -29.806 -9.051 -2.401 1.00 2.38 H new ATOM 0 HA HIS A 14 -32.064 -9.001 -2.429 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -31.100 -9.605 -0.106 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -31.550 -7.992 0.411 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -33.639 -10.927 -1.328 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -35.973 -9.089 1.708 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -35.939 -10.920 -0.076 1.00 5.13 H new ATOM 239 N ASN A 15 -32.583 -6.167 -0.916 1.00 2.64 N ATOM 240 CA ASN A 15 -33.330 -4.908 -1.000 1.00 2.83 C ATOM 241 C ASN A 15 -32.378 -3.732 -0.786 1.00 2.48 C ATOM 242 O ASN A 15 -32.165 -3.289 0.344 1.00 2.96 O ATOM 243 CB ASN A 15 -34.445 -4.905 0.057 1.00 3.64 C ATOM 244 CG ASN A 15 -35.325 -3.654 -0.047 1.00 4.19 C ATOM 245 OD1 ASN A 15 -35.870 -3.349 -1.108 1.00 4.25 O ATOM 246 ND2 ASN A 15 -35.455 -2.927 1.052 1.00 4.99 N ATOM 0 H ASN A 15 -32.194 -6.358 0.007 1.00 2.64 H new ATOM 0 HA ASN A 15 -33.783 -4.811 -1.987 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -35.063 -5.795 -0.064 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -34.003 -4.957 1.052 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -36.023 -2.080 1.039 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -34.987 -3.214 1.912 1.00 4.99 H new ATOM 253 N LYS A 16 -31.809 -3.233 -1.877 1.00 2.30 N ATOM 254 CA LYS A 16 -30.879 -2.106 -1.833 1.00 2.46 C ATOM 255 C LYS A 16 -30.671 -1.574 -3.251 1.00 2.10 C ATOM 256 O LYS A 16 -29.844 -2.095 -4.009 1.00 2.44 O ATOM 257 CB LYS A 16 -29.538 -2.531 -1.207 1.00 3.26 C ATOM 258 CG LYS A 16 -28.832 -1.348 -0.543 1.00 3.87 C ATOM 259 CD LYS A 16 -27.590 -1.799 0.233 1.00 4.83 C ATOM 260 CE LYS A 16 -26.303 -1.477 -0.535 1.00 5.52 C ATOM 261 NZ LYS A 16 -25.098 -1.994 0.168 1.00 6.03 N ATOM 0 H LYS A 16 -31.977 -3.595 -2.815 1.00 2.30 H new ATOM 0 HA LYS A 16 -31.298 -1.316 -1.210 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -29.711 -3.314 -0.469 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -28.894 -2.956 -1.977 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -28.544 -0.622 -1.303 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -29.522 -0.844 0.134 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -27.568 -1.307 1.205 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -27.645 -2.871 0.420 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -26.356 -1.912 -1.533 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -26.215 -0.398 -0.662 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -24.247 -1.757 -0.381 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -25.033 -1.560 1.111 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -25.170 -3.027 0.267 1.00 6.03 H new ATOM 275 N LYS A 17 -31.430 -0.540 -3.603 1.00 1.88 N ATOM 276 CA LYS A 17 -31.356 0.081 -4.929 1.00 1.62 C ATOM 277 C LYS A 17 -30.304 1.192 -4.948 1.00 1.62 C ATOM 278 O LYS A 17 -29.761 1.578 -3.908 1.00 2.06 O ATOM 279 CB LYS A 17 -32.730 0.646 -5.313 1.00 1.84 C ATOM 280 CG LYS A 17 -33.760 -0.474 -5.495 1.00 2.30 C ATOM 281 CD LYS A 17 -34.464 -0.385 -6.855 1.00 2.75 C ATOM 282 CE LYS A 17 -33.553 -0.861 -7.991 1.00 3.27 C ATOM 283 NZ LYS A 17 -34.247 -0.833 -9.309 1.00 3.75 N ATOM 0 H LYS A 17 -32.113 -0.107 -2.981 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.064 -0.678 -5.655 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -33.071 1.335 -4.541 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -32.645 1.219 -6.236 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -33.265 -1.441 -5.404 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -34.501 -0.419 -4.698 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -35.371 -0.990 -6.837 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -34.771 0.644 -7.040 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -32.666 -0.229 -8.034 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -33.212 -1.875 -7.782 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -33.597 -1.162 -10.051 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -35.079 -1.456 -9.277 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -34.550 0.139 -9.521 1.00 3.75 H new ATOM 297 N ALA A 18 -30.026 1.694 -6.141 1.00 1.43 N ATOM 298 CA ALA A 18 -29.049 2.761 -6.343 1.00 1.61 C ATOM 299 C ALA A 18 -29.342 3.454 -7.672 1.00 1.86 C ATOM 300 O ALA A 18 -28.709 3.169 -8.690 1.00 2.10 O ATOM 301 CB ALA A 18 -27.626 2.182 -6.337 1.00 1.58 C ATOM 0 H ALA A 18 -30.471 1.374 -7.001 1.00 1.43 H new ATOM 0 HA ALA A 18 -29.122 3.488 -5.534 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -26.906 2.986 -6.488 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -27.434 1.698 -5.379 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.527 1.451 -7.139 1.00 1.58 H new ATOM 307 N SER A 19 -30.312 4.365 -7.654 1.00 2.24 N ATOM 308 CA SER A 19 -30.717 5.112 -8.845 1.00 2.71 C ATOM 309 C SER A 19 -29.790 6.306 -9.045 1.00 2.85 C ATOM 310 O SER A 19 -30.234 7.449 -9.170 1.00 3.33 O ATOM 311 CB SER A 19 -32.172 5.577 -8.692 1.00 3.28 C ATOM 312 OG SER A 19 -32.984 4.532 -8.160 1.00 3.62 O ATOM 0 H SER A 19 -30.840 4.607 -6.815 1.00 2.24 H new ATOM 0 HA SER A 19 -30.646 4.468 -9.721 1.00 2.71 H new ATOM 0 HB2 SER A 19 -32.214 6.446 -8.036 1.00 3.28 H new ATOM 0 HB3 SER A 19 -32.562 5.890 -9.660 1.00 3.28 H new ATOM 0 HG SER A 19 -33.907 4.849 -8.069 1.00 3.62 H new ATOM 318 N SER A 20 -28.491 6.028 -9.064 1.00 2.92 N ATOM 319 CA SER A 20 -27.474 7.054 -9.233 1.00 3.46 C ATOM 320 C SER A 20 -26.442 6.604 -10.272 1.00 3.36 C ATOM 321 O SER A 20 -26.111 5.417 -10.360 1.00 3.74 O ATOM 322 CB SER A 20 -26.790 7.324 -7.888 1.00 4.13 C ATOM 323 OG SER A 20 -27.760 7.606 -6.882 1.00 4.31 O ATOM 0 H SER A 20 -28.116 5.085 -8.963 1.00 2.92 H new ATOM 0 HA SER A 20 -27.943 7.973 -9.585 1.00 3.46 H new ATOM 0 HB2 SER A 20 -26.195 6.459 -7.596 1.00 4.13 H new ATOM 0 HB3 SER A 20 -26.103 8.165 -7.985 1.00 4.13 H new ATOM 0 HG SER A 20 -27.307 7.775 -6.029 1.00 4.31 H new ATOM 329 N ARG A 21 -25.920 7.561 -11.042 1.00 3.28 N ATOM 330 CA ARG A 21 -24.906 7.281 -12.073 1.00 3.37 C ATOM 331 C ARG A 21 -23.510 7.218 -11.434 1.00 2.30 C ATOM 332 O ARG A 21 -22.567 7.864 -11.893 1.00 2.78 O ATOM 333 CB ARG A 21 -24.962 8.357 -13.170 1.00 4.44 C ATOM 334 CG ARG A 21 -24.934 9.778 -12.591 1.00 5.18 C ATOM 335 CD ARG A 21 -24.152 10.740 -13.498 1.00 5.89 C ATOM 336 NE ARG A 21 -25.042 11.372 -14.485 1.00 6.25 N ATOM 337 CZ ARG A 21 -24.621 11.719 -15.705 1.00 6.92 C ATOM 338 NH1 ARG A 21 -23.434 12.294 -15.855 1.00 7.30 N ATOM 339 NH2 ARG A 21 -25.397 11.499 -16.762 1.00 7.43 N ATOM 0 H ARG A 21 -26.182 8.544 -10.974 1.00 3.28 H new ATOM 0 HA ARG A 21 -25.115 6.314 -12.531 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -24.119 8.226 -13.848 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -25.869 8.225 -13.760 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -25.954 10.142 -12.467 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -24.479 9.760 -11.601 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -23.671 11.508 -12.892 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -23.359 10.197 -14.012 1.00 5.89 H new ATOM 0 HE ARG A 21 -26.013 11.551 -14.229 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -22.846 12.470 -15.040 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -23.110 12.560 -16.785 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -26.313 11.066 -16.641 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -25.077 11.763 -17.694 1.00 7.43 H new ATOM 353 N SER A 22 -23.407 6.432 -10.361 1.00 1.32 N ATOM 354 CA SER A 22 -22.162 6.257 -9.614 1.00 0.74 C ATOM 355 C SER A 22 -21.226 5.292 -10.341 1.00 0.68 C ATOM 356 O SER A 22 -21.297 4.078 -10.150 1.00 1.69 O ATOM 357 CB SER A 22 -22.480 5.730 -8.208 1.00 1.62 C ATOM 358 OG SER A 22 -23.516 6.502 -7.607 1.00 1.86 O ATOM 0 H SER A 22 -24.189 5.897 -9.985 1.00 1.32 H new ATOM 0 HA SER A 22 -21.659 7.221 -9.535 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.784 4.685 -8.265 1.00 1.62 H new ATOM 0 HB3 SER A 22 -21.584 5.768 -7.588 1.00 1.62 H new ATOM 0 HG SER A 22 -23.708 6.152 -6.712 1.00 1.86 H new ATOM 364 N TRP A 23 -20.344 5.852 -11.166 1.00 0.69 N ATOM 365 CA TRP A 23 -19.364 5.079 -11.930 1.00 0.41 C ATOM 366 C TRP A 23 -18.069 4.989 -11.120 1.00 0.40 C ATOM 367 O TRP A 23 -17.275 5.932 -11.106 1.00 0.55 O ATOM 368 CB TRP A 23 -19.104 5.763 -13.288 1.00 0.43 C ATOM 369 CG TRP A 23 -20.058 5.320 -14.360 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.116 6.021 -14.874 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.031 4.058 -15.054 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.728 5.252 -15.828 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.095 4.053 -15.964 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.211 2.935 -14.982 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.345 2.970 -16.793 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.449 1.852 -15.804 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.509 1.864 -16.705 1.00 0.31 C ATOM 0 H TRP A 23 -20.288 6.858 -11.325 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.744 4.075 -12.118 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.180 6.843 -13.165 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.084 5.550 -13.607 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.418 7.015 -14.577 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.547 5.538 -16.364 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.388 2.911 -14.283 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.170 2.986 -17.490 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.806 0.986 -15.747 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.683 1.008 -17.340 1.00 0.31 H new ATOM 388 N HIS A 24 -17.875 3.866 -10.428 1.00 0.37 N ATOM 389 CA HIS A 24 -16.696 3.653 -9.587 1.00 0.45 C ATOM 390 C HIS A 24 -15.664 2.786 -10.310 1.00 0.36 C ATOM 391 O HIS A 24 -16.000 1.741 -10.876 1.00 0.34 O ATOM 392 CB HIS A 24 -17.126 2.977 -8.272 1.00 0.61 C ATOM 393 CG HIS A 24 -16.102 3.081 -7.187 1.00 1.18 C ATOM 394 ND1 HIS A 24 -16.160 3.998 -6.172 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.975 2.373 -6.958 1.00 1.66 C ATOM 396 CE1 HIS A 24 -15.137 3.869 -5.364 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.382 2.878 -5.817 1.00 2.74 N ATOM 0 H HIS A 24 -18.527 3.082 -10.434 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.236 4.617 -9.370 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -18.056 3.429 -7.928 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.335 1.925 -8.465 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.901 4.690 -6.060 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -14.603 1.557 -7.560 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.943 4.465 -4.484 1.00 2.98 H new ATOM 405 N ASN A 25 -14.404 3.212 -10.258 1.00 0.37 N ATOM 406 CA ASN A 25 -13.294 2.474 -10.869 1.00 0.35 C ATOM 407 C ASN A 25 -12.819 1.416 -9.872 1.00 0.34 C ATOM 408 O ASN A 25 -12.255 1.751 -8.827 1.00 0.55 O ATOM 409 CB ASN A 25 -12.146 3.434 -11.228 1.00 0.44 C ATOM 410 CG ASN A 25 -11.097 2.733 -12.103 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.311 2.526 -13.299 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.964 2.370 -11.514 1.00 1.49 N ATOM 0 H ASN A 25 -14.121 4.075 -9.794 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.624 1.994 -11.790 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.544 4.301 -11.755 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.677 3.803 -10.316 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.235 1.903 -12.054 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.822 2.558 -10.522 1.00 1.49 H new ATOM 419 N VAL A 26 -13.087 0.153 -10.181 1.00 0.22 N ATOM 420 CA VAL A 26 -12.726 -0.966 -9.306 1.00 0.21 C ATOM 421 C VAL A 26 -11.992 -2.054 -10.093 1.00 0.18 C ATOM 422 O VAL A 26 -12.127 -2.154 -11.314 1.00 0.23 O ATOM 423 CB VAL A 26 -14.012 -1.515 -8.658 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.872 -2.291 -9.664 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.702 -2.381 -7.436 1.00 0.31 C ATOM 0 H VAL A 26 -13.559 -0.128 -11.041 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.047 -0.623 -8.526 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.587 -0.651 -8.324 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.769 -2.661 -9.167 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.157 -1.632 -10.484 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.302 -3.133 -10.057 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.633 -2.750 -7.006 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.081 -3.225 -7.736 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.170 -1.786 -6.694 1.00 0.31 H new ATOM 435 N TYR A 27 -11.227 -2.877 -9.385 1.00 0.16 N ATOM 436 CA TYR A 27 -10.478 -3.974 -9.999 1.00 0.16 C ATOM 437 C TYR A 27 -11.321 -5.244 -9.956 1.00 0.19 C ATOM 438 O TYR A 27 -11.801 -5.643 -8.893 1.00 0.34 O ATOM 439 CB TYR A 27 -9.151 -4.177 -9.264 1.00 0.17 C ATOM 440 CG TYR A 27 -8.140 -4.948 -10.077 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.419 -4.318 -11.079 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.932 -6.291 -9.820 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.497 -5.034 -11.820 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.010 -7.002 -10.561 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.286 -6.347 -11.568 1.00 0.29 C ATOM 446 OH TYR A 27 -5.380 -7.078 -12.300 1.00 0.37 O ATOM 0 H TYR A 27 -11.107 -2.806 -8.375 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.257 -3.732 -11.039 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.734 -3.204 -9.003 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.337 -4.706 -8.329 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.577 -3.269 -11.281 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.492 -6.784 -9.039 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.942 -4.542 -12.605 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.848 -8.052 -10.367 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.018 -7.801 -11.745 1.00 0.37 H new ATOM 456 N CYS A 28 -11.521 -5.861 -11.114 1.00 0.16 N ATOM 457 CA CYS A 28 -12.332 -7.074 -11.219 1.00 0.19 C ATOM 458 C CYS A 28 -11.469 -8.285 -11.568 1.00 0.19 C ATOM 459 O CYS A 28 -10.623 -8.228 -12.461 1.00 0.23 O ATOM 460 CB CYS A 28 -13.417 -6.872 -12.281 1.00 0.23 C ATOM 461 SG CYS A 28 -14.511 -5.494 -11.888 1.00 0.34 S ATOM 0 H CYS A 28 -11.131 -5.541 -12.001 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.799 -7.265 -10.253 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.947 -6.695 -13.248 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.005 -7.785 -12.374 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.305 -5.834 -10.916 1.00 0.34 H new ATOM 467 N VAL A 29 -11.707 -9.382 -10.858 1.00 0.21 N ATOM 468 CA VAL A 29 -10.990 -10.640 -11.063 1.00 0.24 C ATOM 469 C VAL A 29 -12.019 -11.750 -11.278 1.00 0.26 C ATOM 470 O VAL A 29 -13.045 -11.784 -10.592 1.00 0.38 O ATOM 471 CB VAL A 29 -10.116 -10.944 -9.836 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.458 -12.321 -9.948 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.051 -9.859 -9.645 1.00 0.33 C ATOM 0 H VAL A 29 -12.408 -9.426 -10.118 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.340 -10.570 -11.935 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.767 -10.951 -8.962 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.847 -12.505 -9.064 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.229 -13.088 -10.022 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.829 -12.352 -10.837 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.444 -10.095 -8.771 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.414 -9.815 -10.528 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.537 -8.894 -9.500 1.00 0.33 H new ATOM 483 N ILE A 30 -11.754 -12.646 -12.230 1.00 0.28 N ATOM 484 CA ILE A 30 -12.674 -13.750 -12.540 1.00 0.32 C ATOM 485 C ILE A 30 -12.175 -15.064 -11.927 1.00 0.35 C ATOM 486 O ILE A 30 -10.967 -15.305 -11.823 1.00 0.44 O ATOM 487 CB ILE A 30 -12.840 -13.891 -14.066 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.159 -12.526 -14.699 1.00 0.47 C ATOM 489 CG2 ILE A 30 -13.938 -14.911 -14.398 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.527 -12.655 -16.172 1.00 0.57 C ATOM 0 H ILE A 30 -10.910 -12.632 -12.802 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.646 -13.522 -12.103 1.00 0.32 H new ATOM 0 HB ILE A 30 -11.901 -14.253 -14.483 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -13.982 -12.059 -14.159 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.296 -11.868 -14.597 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.040 -14.996 -15.480 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.671 -15.882 -13.981 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.884 -14.580 -13.969 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -13.745 -11.668 -16.580 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.694 -13.098 -16.718 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.406 -13.292 -16.273 1.00 0.57 H new ATOM 502 N ASN A 31 -13.120 -15.909 -11.521 1.00 0.46 N ATOM 503 CA ASN A 31 -12.827 -17.210 -10.909 1.00 0.58 C ATOM 504 C ASN A 31 -13.888 -18.230 -11.361 1.00 0.71 C ATOM 505 O ASN A 31 -14.765 -17.909 -12.167 1.00 1.20 O ATOM 506 CB ASN A 31 -12.819 -17.067 -9.370 1.00 0.73 C ATOM 507 CG ASN A 31 -12.125 -18.251 -8.687 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.415 -19.029 -9.324 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.344 -18.398 -7.389 1.00 1.47 N ATOM 0 H ASN A 31 -14.117 -15.712 -11.606 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.845 -17.562 -11.226 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -12.313 -16.142 -9.094 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.844 -16.989 -9.008 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.918 -19.176 -6.885 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.938 -17.733 -6.894 1.00 1.47 H new ATOM 516 N ASN A 32 -13.799 -19.455 -10.841 1.00 0.85 N ATOM 517 CA ASN A 32 -14.735 -20.543 -11.177 1.00 1.00 C ATOM 518 C ASN A 32 -16.181 -20.161 -10.813 1.00 1.00 C ATOM 519 O ASN A 32 -16.584 -20.264 -9.654 1.00 1.97 O ATOM 520 CB ASN A 32 -14.321 -21.820 -10.422 1.00 1.24 C ATOM 521 CG ASN A 32 -15.162 -23.032 -10.844 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.929 -22.976 -11.808 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.012 -24.128 -10.124 1.00 2.52 N ATOM 0 H ASN A 32 -13.077 -19.727 -10.174 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.695 -20.720 -12.252 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.267 -22.027 -10.609 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.429 -21.659 -9.349 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.541 -24.968 -10.358 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.367 -24.135 -9.334 1.00 2.52 H new ATOM 530 N GLN A 33 -16.945 -19.719 -11.823 1.00 0.75 N ATOM 531 CA GLN A 33 -18.355 -19.310 -11.663 1.00 0.67 C ATOM 532 C GLN A 33 -18.515 -18.196 -10.614 1.00 0.56 C ATOM 533 O GLN A 33 -19.591 -18.074 -9.984 1.00 0.71 O ATOM 534 CB GLN A 33 -19.220 -20.526 -11.298 1.00 0.83 C ATOM 535 CG GLN A 33 -19.185 -21.579 -12.411 1.00 1.46 C ATOM 536 CD GLN A 33 -19.648 -22.931 -11.883 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.844 -23.218 -11.844 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.706 -23.764 -11.474 1.00 2.67 N ATOM 0 H GLN A 33 -16.603 -19.634 -12.780 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.693 -18.905 -12.617 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.863 -20.964 -10.366 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.248 -20.207 -11.126 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -19.825 -21.266 -13.236 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -18.173 -21.664 -12.807 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -17.725 -23.488 -11.523 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.960 -24.682 -11.110 1.00 2.67 H new ATOM 547 N GLU A 34 -17.445 -17.388 -10.438 1.00 0.53 N ATOM 548 CA GLU A 34 -17.441 -16.285 -9.473 1.00 0.49 C ATOM 549 C GLU A 34 -16.517 -15.162 -9.947 1.00 0.45 C ATOM 550 O GLU A 34 -15.704 -15.344 -10.858 1.00 0.64 O ATOM 551 CB GLU A 34 -16.957 -16.771 -8.093 1.00 0.61 C ATOM 552 CG GLU A 34 -17.900 -17.807 -7.466 1.00 1.25 C ATOM 553 CD GLU A 34 -17.522 -18.060 -6.010 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.862 -17.197 -5.399 1.00 1.89 O ATOM 555 OE2 GLU A 34 -17.880 -19.127 -5.477 1.00 1.79 O ATOM 0 H GLU A 34 -16.573 -17.487 -10.958 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.462 -15.913 -9.392 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.962 -17.205 -8.194 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.866 -15.916 -7.423 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.929 -17.453 -7.525 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.851 -18.740 -8.028 1.00 1.25 H new ATOM 562 N MET A 35 -16.628 -14.016 -9.293 1.00 0.36 N ATOM 563 CA MET A 35 -15.800 -12.849 -9.586 1.00 0.35 C ATOM 564 C MET A 35 -15.564 -12.082 -8.286 1.00 0.32 C ATOM 565 O MET A 35 -16.457 -11.998 -7.435 1.00 0.42 O ATOM 566 CB MET A 35 -16.451 -11.950 -10.652 1.00 0.41 C ATOM 567 CG MET A 35 -17.766 -11.326 -10.176 1.00 0.43 C ATOM 568 SD MET A 35 -18.529 -10.277 -11.431 1.00 0.60 S ATOM 569 CE MET A 35 -17.307 -8.961 -11.592 1.00 1.25 C ATOM 0 H MET A 35 -17.298 -13.865 -8.539 1.00 0.36 H new ATOM 0 HA MET A 35 -14.845 -13.177 -9.996 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.756 -11.157 -10.926 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.637 -12.536 -11.552 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.461 -12.119 -9.899 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.580 -10.736 -9.278 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.810 -8.025 -11.837 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.768 -8.848 -10.651 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.603 -9.213 -12.386 1.00 1.25 H new ATOM 579 N GLY A 36 -14.359 -11.544 -8.126 1.00 0.27 N ATOM 580 CA GLY A 36 -13.986 -10.800 -6.920 1.00 0.29 C ATOM 581 C GLY A 36 -13.699 -9.335 -7.238 1.00 0.25 C ATOM 582 O GLY A 36 -12.991 -9.027 -8.201 1.00 0.28 O ATOM 0 H GLY A 36 -13.616 -11.609 -8.821 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.790 -10.864 -6.187 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.105 -11.255 -6.467 1.00 0.29 H new ATOM 586 N PHE A 37 -14.241 -8.441 -6.408 1.00 0.24 N ATOM 587 CA PHE A 37 -14.047 -6.994 -6.565 1.00 0.25 C ATOM 588 C PHE A 37 -12.956 -6.518 -5.603 1.00 0.25 C ATOM 589 O PHE A 37 -13.154 -6.510 -4.388 1.00 0.40 O ATOM 590 CB PHE A 37 -15.361 -6.256 -6.283 1.00 0.30 C ATOM 591 CG PHE A 37 -16.414 -6.513 -7.335 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.316 -5.906 -8.577 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.479 -7.357 -7.061 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.281 -6.139 -9.540 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.443 -7.588 -8.027 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.345 -6.980 -9.263 1.00 0.33 C ATOM 0 H PHE A 37 -14.824 -8.696 -5.611 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.739 -6.779 -7.588 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.744 -6.564 -5.310 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.166 -5.185 -6.225 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.485 -5.250 -8.793 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.556 -7.834 -6.095 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.204 -5.665 -10.507 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.273 -8.245 -7.814 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.099 -7.161 -10.014 1.00 0.33 H new ATOM 606 N TYR A 38 -11.808 -6.133 -6.156 1.00 0.20 N ATOM 607 CA TYR A 38 -10.664 -5.667 -5.360 1.00 0.21 C ATOM 608 C TYR A 38 -10.314 -4.219 -5.713 1.00 0.21 C ATOM 609 O TYR A 38 -10.904 -3.620 -6.620 1.00 0.23 O ATOM 610 CB TYR A 38 -9.458 -6.579 -5.616 1.00 0.23 C ATOM 611 CG TYR A 38 -9.721 -8.023 -5.240 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.483 -8.460 -3.949 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.201 -8.914 -6.190 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.722 -9.781 -3.607 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.439 -10.234 -5.844 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.205 -10.657 -4.550 1.00 0.44 C ATOM 617 OH TYR A 38 -10.431 -11.972 -4.212 1.00 0.55 O ATOM 0 H TYR A 38 -11.640 -6.133 -7.162 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.930 -5.705 -4.304 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.187 -6.527 -6.670 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.603 -6.211 -5.048 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.110 -7.770 -3.207 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.389 -8.578 -7.199 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.529 -10.122 -2.601 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.806 -10.930 -6.584 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.773 -12.456 -4.992 1.00 0.55 H new ATOM 627 N LYS A 39 -9.346 -3.656 -4.987 1.00 0.25 N ATOM 628 CA LYS A 39 -8.901 -2.273 -5.206 1.00 0.29 C ATOM 629 C LYS A 39 -7.956 -2.181 -6.417 1.00 0.28 C ATOM 630 O LYS A 39 -7.991 -1.203 -7.160 1.00 0.33 O ATOM 631 CB LYS A 39 -8.212 -1.743 -3.942 1.00 0.36 C ATOM 632 CG LYS A 39 -8.257 -0.214 -3.866 1.00 0.70 C ATOM 633 CD LYS A 39 -7.284 0.317 -2.806 1.00 1.15 C ATOM 634 CE LYS A 39 -8.018 0.969 -1.628 1.00 1.82 C ATOM 635 NZ LYS A 39 -8.372 2.389 -1.910 1.00 2.51 N ATOM 0 H LYS A 39 -8.851 -4.138 -4.237 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.775 -1.657 -5.420 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.696 -2.165 -3.061 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.175 -2.077 -3.927 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -8.006 0.209 -4.839 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.270 0.111 -3.629 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -6.665 -0.502 -2.439 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.612 1.044 -3.262 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.925 0.406 -1.409 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.390 0.921 -0.738 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -8.867 2.793 -1.089 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.505 2.933 -2.094 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.992 2.433 -2.744 1.00 2.51 H new ATOM 649 N ASP A 40 -7.123 -3.208 -6.616 1.00 0.28 N ATOM 650 CA ASP A 40 -6.176 -3.260 -7.746 1.00 0.32 C ATOM 651 C ASP A 40 -5.554 -4.659 -7.838 1.00 0.33 C ATOM 652 O ASP A 40 -5.965 -5.577 -7.120 1.00 0.32 O ATOM 653 CB ASP A 40 -5.073 -2.181 -7.622 1.00 0.38 C ATOM 654 CG ASP A 40 -4.009 -2.556 -6.589 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.375 -2.929 -5.457 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.810 -2.488 -6.914 1.00 0.94 O ATOM 0 H ASP A 40 -7.082 -4.024 -6.005 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.730 -3.051 -8.661 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.599 -2.036 -8.593 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.527 -1.230 -7.344 1.00 0.38 H new ATOM 661 N ALA A 41 -4.549 -4.807 -8.709 1.00 0.40 N ATOM 662 CA ALA A 41 -3.844 -6.086 -8.897 1.00 0.45 C ATOM 663 C ALA A 41 -3.143 -6.530 -7.603 1.00 0.45 C ATOM 664 O ALA A 41 -3.153 -7.713 -7.258 1.00 0.47 O ATOM 665 CB ALA A 41 -2.821 -5.949 -10.027 1.00 0.55 C ATOM 0 H ALA A 41 -4.202 -4.052 -9.300 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.578 -6.847 -9.160 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.301 -6.897 -10.164 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.333 -5.679 -10.951 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.099 -5.173 -9.772 1.00 0.55 H new ATOM 671 N LYS A 42 -2.551 -5.571 -6.882 1.00 0.46 N ATOM 672 CA LYS A 42 -1.855 -5.855 -5.618 1.00 0.48 C ATOM 673 C LYS A 42 -2.850 -6.346 -4.557 1.00 0.43 C ATOM 674 O LYS A 42 -2.596 -7.335 -3.865 1.00 0.47 O ATOM 675 CB LYS A 42 -1.137 -4.595 -5.123 1.00 0.54 C ATOM 676 CG LYS A 42 -0.098 -4.110 -6.137 1.00 0.77 C ATOM 677 CD LYS A 42 0.848 -3.071 -5.521 1.00 1.12 C ATOM 678 CE LYS A 42 0.089 -1.832 -5.025 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.683 -1.182 -6.124 1.00 2.76 N ATOM 0 H LYS A 42 -2.539 -4.587 -7.152 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.119 -6.640 -5.792 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.867 -3.806 -4.942 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.649 -4.803 -4.171 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.480 -4.959 -6.501 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.605 -3.676 -6.999 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.391 -3.521 -4.690 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.590 -2.771 -6.261 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.591 -2.119 -4.223 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.795 -1.117 -4.604 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -0.839 -0.180 -5.893 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -0.148 -1.253 -7.013 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.601 -1.659 -6.233 1.00 2.76 H new ATOM 693 N SER A 43 -3.991 -5.659 -4.449 1.00 0.38 N ATOM 694 CA SER A 43 -5.042 -6.025 -3.489 1.00 0.38 C ATOM 695 C SER A 43 -5.652 -7.390 -3.835 1.00 0.39 C ATOM 696 O SER A 43 -5.996 -8.167 -2.943 1.00 0.45 O ATOM 697 CB SER A 43 -6.127 -4.951 -3.460 1.00 0.37 C ATOM 698 OG SER A 43 -5.553 -3.663 -3.297 1.00 1.04 O ATOM 0 H SER A 43 -4.213 -4.841 -5.017 1.00 0.38 H new ATOM 0 HA SER A 43 -4.590 -6.097 -2.500 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.703 -4.984 -4.385 1.00 0.37 H new ATOM 0 HB3 SER A 43 -6.822 -5.151 -2.644 1.00 0.37 H new ATOM 0 HG SER A 43 -5.290 -3.309 -4.172 1.00 1.04 H new ATOM 704 N ALA A 44 -5.765 -7.677 -5.137 1.00 0.37 N ATOM 705 CA ALA A 44 -6.309 -8.946 -5.624 1.00 0.43 C ATOM 706 C ALA A 44 -5.343 -10.093 -5.317 1.00 0.51 C ATOM 707 O ALA A 44 -5.761 -11.168 -4.884 1.00 0.59 O ATOM 708 CB ALA A 44 -6.573 -8.864 -7.130 1.00 0.43 C ATOM 0 H ALA A 44 -5.482 -7.037 -5.879 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.252 -9.140 -5.113 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.977 -9.814 -7.481 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.290 -8.068 -7.331 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.640 -8.652 -7.652 1.00 0.43 H new ATOM 714 N ALA A 45 -4.045 -9.846 -5.528 1.00 0.54 N ATOM 715 CA ALA A 45 -2.996 -10.842 -5.263 1.00 0.64 C ATOM 716 C ALA A 45 -2.925 -11.158 -3.764 1.00 0.68 C ATOM 717 O ALA A 45 -2.890 -12.323 -3.368 1.00 0.76 O ATOM 718 CB ALA A 45 -1.642 -10.326 -5.758 1.00 0.69 C ATOM 0 H ALA A 45 -3.692 -8.958 -5.884 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.242 -11.758 -5.800 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.873 -11.072 -5.557 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.694 -10.139 -6.831 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.394 -9.400 -5.240 1.00 0.69 H new ATOM 724 N SER A 46 -2.922 -10.106 -2.939 1.00 0.65 N ATOM 725 CA SER A 46 -2.873 -10.249 -1.472 1.00 0.73 C ATOM 726 C SER A 46 -4.187 -10.846 -0.928 1.00 0.74 C ATOM 727 O SER A 46 -4.203 -11.467 0.137 1.00 0.84 O ATOM 728 CB SER A 46 -2.608 -8.882 -0.825 1.00 0.75 C ATOM 729 OG SER A 46 -1.276 -8.447 -1.081 1.00 1.21 O ATOM 0 H SER A 46 -2.953 -9.138 -3.261 1.00 0.65 H new ATOM 0 HA SER A 46 -2.062 -10.932 -1.221 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.315 -8.149 -1.213 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.773 -8.946 0.250 1.00 0.75 H new ATOM 0 HG SER A 46 -1.131 -7.574 -0.661 1.00 1.21 H new ATOM 735 N GLY A 47 -5.281 -10.648 -1.670 1.00 0.70 N ATOM 736 CA GLY A 47 -6.602 -11.155 -1.293 1.00 0.74 C ATOM 737 C GLY A 47 -7.231 -10.296 -0.197 1.00 0.75 C ATOM 738 O GLY A 47 -7.713 -10.818 0.809 1.00 0.88 O ATOM 0 H GLY A 47 -5.275 -10.131 -2.549 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.253 -11.168 -2.167 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.514 -12.185 -0.946 1.00 0.74 H new ATOM 742 N ILE A 48 -7.225 -8.979 -0.404 1.00 0.67 N ATOM 743 CA ILE A 48 -7.793 -8.026 0.558 1.00 0.72 C ATOM 744 C ILE A 48 -9.274 -7.777 0.225 1.00 0.75 C ATOM 745 O ILE A 48 -9.599 -7.364 -0.891 1.00 0.75 O ATOM 746 CB ILE A 48 -6.999 -6.707 0.511 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.541 -6.937 0.937 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.641 -5.643 1.407 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.662 -5.730 0.603 1.00 0.97 C ATOM 0 H ILE A 48 -6.830 -8.542 -1.237 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.726 -8.438 1.565 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.016 -6.348 -0.518 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.500 -7.132 2.009 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.150 -7.823 0.436 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.059 -4.723 1.354 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.659 -5.449 1.069 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.663 -5.999 2.437 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.637 -5.928 0.918 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.683 -5.551 -0.472 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.039 -4.850 1.125 1.00 0.97 H new ATOM 761 N PRO A 49 -10.195 -8.017 1.187 1.00 0.84 N ATOM 762 CA PRO A 49 -11.640 -7.809 0.967 1.00 0.93 C ATOM 763 C PRO A 49 -11.993 -6.317 0.875 1.00 0.93 C ATOM 764 O PRO A 49 -12.041 -5.615 1.889 1.00 1.08 O ATOM 765 CB PRO A 49 -12.298 -8.471 2.179 1.00 1.07 C ATOM 766 CG PRO A 49 -11.254 -8.467 3.249 1.00 1.06 C ATOM 767 CD PRO A 49 -9.915 -8.513 2.551 1.00 0.92 C ATOM 0 HA PRO A 49 -11.981 -8.235 0.023 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.185 -7.921 2.494 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.618 -9.487 1.946 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.337 -7.573 3.867 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.375 -9.325 3.911 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.181 -7.888 3.058 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.512 -9.525 2.531 1.00 0.92 H new ATOM 775 N TYR A 50 -12.227 -5.845 -0.350 1.00 0.87 N ATOM 776 CA TYR A 50 -12.563 -4.437 -0.610 1.00 0.91 C ATOM 777 C TYR A 50 -13.919 -4.064 0.008 1.00 1.12 C ATOM 778 O TYR A 50 -14.078 -2.971 0.550 1.00 1.91 O ATOM 779 CB TYR A 50 -12.575 -4.183 -2.125 1.00 0.92 C ATOM 780 CG TYR A 50 -12.667 -2.718 -2.497 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.740 -1.815 -1.998 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.675 -2.272 -3.339 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.818 -0.477 -2.344 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.750 -0.934 -3.679 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.846 -0.042 -3.169 1.00 1.17 C ATOM 786 OH TYR A 50 -12.894 1.285 -3.530 1.00 1.34 O ATOM 0 H TYR A 50 -12.190 -6.422 -1.190 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.805 -3.808 -0.144 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.669 -4.603 -2.562 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.418 -4.714 -2.567 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -10.956 -2.156 -1.338 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.401 -2.970 -3.729 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.084 0.224 -1.975 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.525 -0.592 -4.349 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.471 1.390 -4.315 1.00 1.34 H new ATOM 796 N HIS A 51 -14.881 -4.987 -0.065 1.00 1.28 N ATOM 797 CA HIS A 51 -16.228 -4.783 0.494 1.00 1.53 C ATOM 798 C HIS A 51 -16.688 -6.060 1.210 1.00 1.61 C ATOM 799 O HIS A 51 -15.955 -7.056 1.248 1.00 2.07 O ATOM 800 CB HIS A 51 -17.218 -4.400 -0.629 1.00 2.01 C ATOM 801 CG HIS A 51 -17.403 -2.918 -0.778 1.00 2.54 C ATOM 802 ND1 HIS A 51 -16.713 -1.979 -1.477 1.00 3.19 N flip ATOM 803 CD2 HIS A 51 -18.407 -2.225 -0.159 1.00 2.89 C flip ATOM 804 CE1 HIS A 51 -17.321 -0.756 -1.256 1.00 3.87 C flip ATOM 805 NE2 HIS A 51 -18.351 -0.948 -0.448 1.00 3.74 N flip ATOM 0 H HIS A 51 -14.753 -5.895 -0.511 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.199 -3.967 1.216 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.862 -4.811 -1.574 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -18.184 -4.861 -0.425 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -15.893 -2.146 -2.060 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -19.150 -2.672 0.485 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -17.009 0.191 -1.671 1.00 3.87 H new ATOM 813 N SER A 52 -17.900 -6.024 1.777 1.00 1.60 N ATOM 814 CA SER A 52 -18.475 -7.170 2.502 1.00 1.96 C ATOM 815 C SER A 52 -18.699 -8.357 1.555 1.00 1.85 C ATOM 816 O SER A 52 -18.061 -9.402 1.696 1.00 2.45 O ATOM 817 CB SER A 52 -19.793 -6.753 3.165 1.00 2.44 C ATOM 818 OG SER A 52 -19.630 -5.529 3.879 1.00 2.65 O ATOM 0 H SER A 52 -18.509 -5.206 1.748 1.00 1.60 H new ATOM 0 HA SER A 52 -17.773 -7.486 3.274 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.567 -6.638 2.407 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.128 -7.536 3.846 1.00 2.44 H new ATOM 0 HG SER A 52 -20.481 -5.277 4.294 1.00 2.65 H new ATOM 824 N GLU A 53 -19.585 -8.184 0.571 1.00 1.45 N ATOM 825 CA GLU A 53 -19.863 -9.232 -0.411 1.00 1.37 C ATOM 826 C GLU A 53 -18.903 -9.081 -1.592 1.00 1.08 C ATOM 827 O GLU A 53 -19.320 -8.817 -2.721 1.00 1.24 O ATOM 828 CB GLU A 53 -21.319 -9.147 -0.885 1.00 1.73 C ATOM 829 CG GLU A 53 -22.301 -9.449 0.253 1.00 2.39 C ATOM 830 CD GLU A 53 -23.737 -9.210 -0.200 1.00 2.88 C ATOM 831 OE1 GLU A 53 -24.258 -10.019 -0.995 1.00 3.46 O ATOM 832 OE2 GLU A 53 -24.342 -8.207 0.227 1.00 3.23 O ATOM 0 H GLU A 53 -20.122 -7.327 0.434 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.715 -10.209 0.049 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.516 -8.151 -1.281 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.479 -9.852 -1.701 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.184 -10.483 0.577 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.075 -8.818 1.113 1.00 2.39 H new ATOM 839 N VAL A 54 -17.605 -9.238 -1.311 1.00 0.84 N ATOM 840 CA VAL A 54 -16.555 -9.113 -2.328 1.00 0.66 C ATOM 841 C VAL A 54 -16.617 -10.246 -3.377 1.00 0.55 C ATOM 842 O VAL A 54 -16.324 -9.995 -4.548 1.00 0.49 O ATOM 843 CB VAL A 54 -15.154 -9.019 -1.671 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.896 -10.134 -0.652 1.00 1.34 C ATOM 845 CG2 VAL A 54 -14.054 -9.010 -2.733 1.00 0.77 C ATOM 0 H VAL A 54 -17.254 -9.454 -0.378 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.737 -8.183 -2.866 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.135 -8.076 -1.125 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.900 -10.015 -0.226 1.00 1.34 H new ATOM 0 HG12 VAL A 54 -15.639 -10.079 0.143 1.00 1.34 H new ATOM 0 HG13 VAL A 54 -14.965 -11.103 -1.147 1.00 1.34 H new ATOM 0 HG21 VAL A 54 -13.080 -8.943 -2.248 1.00 0.77 H new ATOM 0 HG22 VAL A 54 -14.106 -9.928 -3.318 1.00 0.77 H new ATOM 0 HG23 VAL A 54 -14.191 -8.152 -3.391 1.00 0.77 H new ATOM 855 N PRO A 55 -17.009 -11.499 -3.007 1.00 0.62 N ATOM 856 CA PRO A 55 -17.104 -12.607 -3.959 1.00 0.59 C ATOM 857 C PRO A 55 -18.530 -12.732 -4.518 1.00 0.58 C ATOM 858 O PRO A 55 -19.449 -13.144 -3.802 1.00 0.83 O ATOM 859 CB PRO A 55 -16.737 -13.823 -3.109 1.00 0.76 C ATOM 860 CG PRO A 55 -17.071 -13.450 -1.688 1.00 0.87 C ATOM 861 CD PRO A 55 -17.405 -11.970 -1.664 1.00 0.83 C ATOM 0 HA PRO A 55 -16.460 -12.483 -4.830 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.298 -14.703 -3.424 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.679 -14.066 -3.211 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.915 -14.038 -1.327 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.229 -13.662 -1.029 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.466 -11.802 -1.478 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.857 -11.449 -0.879 1.00 0.83 H new ATOM 869 N VAL A 56 -18.709 -12.376 -5.786 1.00 0.41 N ATOM 870 CA VAL A 56 -20.015 -12.446 -6.443 1.00 0.43 C ATOM 871 C VAL A 56 -20.043 -13.646 -7.395 1.00 0.42 C ATOM 872 O VAL A 56 -19.096 -13.872 -8.149 1.00 0.43 O ATOM 873 CB VAL A 56 -20.290 -11.137 -7.199 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.555 -11.246 -8.055 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.419 -9.972 -6.215 1.00 0.63 C ATOM 0 H VAL A 56 -17.959 -12.032 -6.386 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.797 -12.577 -5.695 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.446 -10.950 -7.863 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.723 -10.304 -8.578 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.434 -12.048 -8.783 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.410 -11.463 -7.415 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.614 -9.051 -6.765 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.243 -10.166 -5.528 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.492 -9.868 -5.650 1.00 0.63 H new ATOM 885 N SER A 57 -21.120 -14.423 -7.329 1.00 0.47 N ATOM 886 CA SER A 57 -21.289 -15.614 -8.149 1.00 0.48 C ATOM 887 C SER A 57 -21.810 -15.262 -9.550 1.00 0.46 C ATOM 888 O SER A 57 -22.822 -14.570 -9.690 1.00 0.59 O ATOM 889 CB SER A 57 -22.264 -16.561 -7.446 1.00 0.61 C ATOM 890 OG SER A 57 -22.181 -16.438 -6.027 1.00 0.91 O ATOM 0 H SER A 57 -21.903 -14.241 -6.701 1.00 0.47 H new ATOM 0 HA SER A 57 -20.320 -16.097 -8.273 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.281 -16.345 -7.772 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.048 -17.589 -7.736 1.00 0.61 H new ATOM 0 HG SER A 57 -22.817 -17.054 -5.607 1.00 0.91 H new ATOM 896 N LEU A 58 -21.126 -15.769 -10.585 1.00 0.44 N ATOM 897 CA LEU A 58 -21.517 -15.545 -11.987 1.00 0.49 C ATOM 898 C LEU A 58 -22.504 -16.629 -12.429 1.00 0.60 C ATOM 899 O LEU A 58 -22.361 -17.229 -13.497 1.00 0.89 O ATOM 900 CB LEU A 58 -20.278 -15.561 -12.898 1.00 0.67 C ATOM 901 CG LEU A 58 -19.375 -14.353 -12.653 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.126 -14.442 -13.533 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.128 -13.051 -12.917 1.00 0.60 C ATOM 0 H LEU A 58 -20.290 -16.343 -10.477 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.995 -14.569 -12.067 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.713 -16.477 -12.726 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.594 -15.572 -13.941 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.067 -14.357 -11.608 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.490 -13.576 -13.350 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.577 -15.353 -13.294 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.421 -14.461 -14.582 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.466 -12.204 -12.736 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.468 -13.031 -13.952 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -20.989 -12.987 -12.251 1.00 0.60 H new ATOM 915 N LYS A 59 -23.507 -16.869 -11.590 1.00 0.70 N ATOM 916 CA LYS A 59 -24.542 -17.873 -11.859 1.00 0.90 C ATOM 917 C LYS A 59 -25.584 -17.294 -12.818 1.00 0.87 C ATOM 918 O LYS A 59 -26.370 -16.419 -12.432 1.00 0.95 O ATOM 919 CB LYS A 59 -25.194 -18.303 -10.537 1.00 1.13 C ATOM 920 CG LYS A 59 -26.001 -19.594 -10.696 1.00 1.41 C ATOM 921 CD LYS A 59 -26.339 -20.206 -9.335 1.00 1.78 C ATOM 922 CE LYS A 59 -27.378 -21.318 -9.470 1.00 2.18 C ATOM 923 NZ LYS A 59 -28.756 -20.809 -9.218 1.00 2.83 N ATOM 0 H LYS A 59 -23.629 -16.376 -10.705 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.094 -18.750 -12.327 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.422 -18.447 -9.781 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.847 -17.508 -10.178 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -26.921 -19.386 -11.243 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.433 -20.311 -11.289 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -25.433 -20.605 -8.878 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.717 -19.431 -8.669 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.325 -21.748 -10.470 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.150 -22.118 -8.766 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -29.438 -21.588 -9.317 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -28.812 -20.421 -8.255 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -28.981 -20.062 -9.906 1.00 2.83 H new ATOM 937 N GLU A 60 -25.568 -17.782 -14.067 1.00 0.89 N ATOM 938 CA GLU A 60 -26.485 -17.335 -15.127 1.00 0.93 C ATOM 939 C GLU A 60 -26.414 -15.814 -15.311 1.00 0.71 C ATOM 940 O GLU A 60 -27.427 -15.113 -15.239 1.00 0.82 O ATOM 941 CB GLU A 60 -27.921 -17.780 -14.816 1.00 1.20 C ATOM 942 CG GLU A 60 -28.011 -19.300 -14.620 1.00 1.43 C ATOM 943 CD GLU A 60 -29.420 -19.789 -14.921 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.731 -20.032 -16.102 1.00 2.04 O ATOM 945 OE2 GLU A 60 -30.218 -19.940 -13.978 1.00 2.33 O ATOM 0 H GLU A 60 -24.914 -18.503 -14.373 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.175 -17.799 -16.063 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.272 -17.275 -13.916 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.581 -17.478 -15.629 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.297 -19.801 -15.274 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.740 -19.558 -13.596 1.00 1.43 H new ATOM 952 N ALA A 61 -25.201 -15.315 -15.542 1.00 0.51 N ATOM 953 CA ALA A 61 -24.968 -13.884 -15.728 1.00 0.35 C ATOM 954 C ALA A 61 -25.277 -13.471 -17.167 1.00 0.35 C ATOM 955 O ALA A 61 -24.578 -13.872 -18.101 1.00 0.43 O ATOM 956 CB ALA A 61 -23.512 -13.539 -15.385 1.00 0.31 C ATOM 0 H ALA A 61 -24.358 -15.886 -15.605 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.632 -13.336 -15.060 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.348 -12.471 -15.527 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.311 -13.802 -14.347 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.842 -14.099 -16.038 1.00 0.31 H new ATOM 962 N ILE A 62 -26.310 -12.646 -17.333 1.00 0.34 N ATOM 963 CA ILE A 62 -26.709 -12.135 -18.648 1.00 0.37 C ATOM 964 C ILE A 62 -25.898 -10.870 -18.938 1.00 0.31 C ATOM 965 O ILE A 62 -25.758 -10.006 -18.065 1.00 0.31 O ATOM 966 CB ILE A 62 -28.213 -11.824 -18.668 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.023 -12.991 -18.081 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.689 -11.507 -20.089 1.00 0.57 C ATOM 969 CD1 ILE A 62 -28.707 -14.318 -18.774 1.00 1.27 C ATOM 0 H ILE A 62 -26.893 -12.313 -16.565 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.514 -12.886 -19.414 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.378 -10.944 -18.047 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.810 -13.079 -17.016 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -30.087 -12.777 -18.177 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.757 -11.290 -20.075 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.148 -10.640 -20.469 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.501 -12.364 -20.735 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.303 -15.113 -18.326 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -28.945 -14.240 -19.835 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -27.648 -14.547 -18.656 1.00 1.27 H new ATOM 981 N CYS A 63 -25.345 -10.776 -20.143 1.00 0.34 N ATOM 982 CA CYS A 63 -24.515 -9.634 -20.532 1.00 0.33 C ATOM 983 C CYS A 63 -24.972 -9.048 -21.872 1.00 0.34 C ATOM 984 O CYS A 63 -25.207 -9.777 -22.843 1.00 0.52 O ATOM 985 CB CYS A 63 -23.047 -10.079 -20.597 1.00 0.37 C ATOM 986 SG CYS A 63 -21.903 -8.790 -20.085 1.00 0.53 S ATOM 0 H CYS A 63 -25.456 -11.480 -20.873 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.619 -8.846 -19.786 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.909 -10.954 -19.961 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.810 -10.385 -21.616 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.572 -7.754 -19.675 1.00 0.53 H new ATOM 992 N GLU A 64 -25.087 -7.716 -21.909 1.00 0.26 N ATOM 993 CA GLU A 64 -25.508 -6.970 -23.107 1.00 0.29 C ATOM 994 C GLU A 64 -24.509 -5.846 -23.393 1.00 0.24 C ATOM 995 O GLU A 64 -23.826 -5.372 -22.486 1.00 0.36 O ATOM 996 CB GLU A 64 -26.900 -6.363 -22.888 1.00 0.33 C ATOM 997 CG GLU A 64 -27.958 -7.433 -22.600 1.00 0.81 C ATOM 998 CD GLU A 64 -29.131 -6.818 -21.853 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.620 -5.753 -22.273 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.580 -7.408 -20.850 1.00 1.96 O ATOM 0 H GLU A 64 -24.890 -7.119 -21.106 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.542 -7.656 -23.953 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.861 -5.659 -22.056 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.191 -5.796 -23.772 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.303 -7.875 -23.534 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.521 -8.238 -22.009 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.438 -5.414 -24.649 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.524 -4.338 -25.062 1.00 0.32 C ATOM 1009 C VAL A 65 -24.258 -2.989 -25.097 1.00 0.31 C ATOM 1010 O VAL A 65 -25.377 -2.890 -25.604 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.933 -4.655 -26.448 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.766 -3.717 -26.773 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.474 -6.114 -26.527 1.00 0.39 C ATOM 0 H VAL A 65 -25.005 -5.792 -25.408 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.714 -4.271 -24.335 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.719 -4.499 -27.187 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.366 -3.961 -27.757 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.117 -2.685 -26.770 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -20.984 -3.836 -26.023 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.061 -6.312 -27.516 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.710 -6.297 -25.771 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.324 -6.773 -26.350 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.608 -1.955 -24.568 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.148 -0.592 -24.527 1.00 0.31 C ATOM 1025 C ALA A 66 -23.108 0.365 -25.118 1.00 0.34 C ATOM 1026 O ALA A 66 -22.290 0.946 -24.401 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.485 -0.204 -23.082 1.00 0.36 C ATOM 0 H ALA A 66 -22.681 -2.038 -24.150 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.065 -0.535 -25.113 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.885 0.810 -23.061 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.227 -0.895 -22.683 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.582 -0.250 -22.473 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.123 0.499 -26.442 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.164 1.353 -27.158 1.00 0.71 C ATOM 1035 C LEU A 67 -22.442 2.852 -26.951 1.00 0.89 C ATOM 1036 O LEU A 67 -21.562 3.682 -27.186 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.189 1.010 -28.658 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.810 1.182 -29.303 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.792 0.222 -28.683 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -20.903 0.966 -30.815 1.00 1.39 C ATOM 0 H LEU A 67 -23.792 0.025 -27.049 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.174 1.154 -26.746 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.527 -0.018 -28.790 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.910 1.650 -29.166 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.468 2.200 -29.116 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.821 0.364 -29.158 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.706 0.423 -27.615 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.123 -0.806 -28.833 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -19.917 1.091 -31.262 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.268 -0.041 -31.017 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.591 1.694 -31.245 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.659 3.201 -26.520 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.028 4.608 -26.298 1.00 1.14 C ATOM 1054 C ASP A 68 -24.927 4.741 -25.062 1.00 0.87 C ATOM 1055 O ASP A 68 -26.136 4.942 -25.175 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.732 5.173 -27.548 1.00 1.59 C ATOM 1057 CG ASP A 68 -24.863 6.697 -27.465 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.869 7.402 -27.737 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -25.966 7.187 -27.139 1.00 2.62 O ATOM 0 H ASP A 68 -24.404 2.534 -26.318 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.120 5.185 -26.119 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.169 4.901 -28.441 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.721 4.725 -27.646 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.314 4.648 -23.883 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.018 4.785 -22.607 1.00 0.69 C ATOM 1066 C TYR A 69 -24.573 6.090 -21.950 1.00 0.97 C ATOM 1067 O TYR A 69 -23.693 6.090 -21.083 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.706 3.587 -21.696 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.362 3.697 -20.333 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.737 3.570 -20.208 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.590 3.948 -19.210 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.335 3.694 -18.962 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.189 4.066 -17.968 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.559 3.942 -17.849 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.149 4.072 -16.609 1.00 0.97 O ATOM 0 H TYR A 69 -23.314 4.475 -23.784 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.095 4.806 -22.774 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.040 2.670 -22.182 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.627 3.505 -21.569 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.343 3.375 -21.081 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.519 4.052 -19.304 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.406 3.597 -18.864 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.585 4.255 -17.093 1.00 0.64 H new ATOM 0 HH TYR A 69 -26.459 4.243 -15.935 1.00 0.97 H new ATOM 1085 N LYS A 70 -25.160 7.204 -22.403 1.00 1.40 N ATOM 1086 CA LYS A 70 -24.833 8.555 -21.909 1.00 1.81 C ATOM 1087 C LYS A 70 -23.483 9.016 -22.478 1.00 1.82 C ATOM 1088 O LYS A 70 -23.362 10.121 -23.006 1.00 2.53 O ATOM 1089 CB LYS A 70 -24.839 8.603 -20.371 1.00 2.43 C ATOM 1090 CG LYS A 70 -26.042 7.837 -19.796 1.00 2.98 C ATOM 1091 CD LYS A 70 -26.610 8.507 -18.547 1.00 3.79 C ATOM 1092 CE LYS A 70 -27.715 7.652 -17.916 1.00 4.45 C ATOM 1093 NZ LYS A 70 -28.814 7.365 -18.880 1.00 4.84 N ATOM 0 H LYS A 70 -25.879 7.198 -23.126 1.00 1.40 H new ATOM 0 HA LYS A 70 -25.603 9.244 -22.256 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -23.914 8.173 -19.987 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -24.871 9.640 -20.037 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.822 7.766 -20.555 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -25.740 6.818 -19.554 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -25.812 8.668 -17.822 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -27.008 9.488 -18.806 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -27.290 6.714 -17.561 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -28.121 8.168 -17.046 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -29.615 6.934 -18.375 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -29.124 8.251 -19.328 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -28.472 6.709 -19.611 1.00 4.84 H new ATOM 1107 N LYS A 71 -22.490 8.136 -22.388 1.00 1.80 N ATOM 1108 CA LYS A 71 -21.148 8.383 -22.907 1.00 2.22 C ATOM 1109 C LYS A 71 -20.917 7.462 -24.107 1.00 2.19 C ATOM 1110 O LYS A 71 -21.196 6.257 -24.035 1.00 2.78 O ATOM 1111 CB LYS A 71 -20.099 8.111 -21.821 1.00 2.97 C ATOM 1112 CG LYS A 71 -20.389 8.894 -20.540 1.00 3.56 C ATOM 1113 CD LYS A 71 -19.112 9.114 -19.723 1.00 4.44 C ATOM 1114 CE LYS A 71 -19.418 9.761 -18.364 1.00 5.27 C ATOM 1115 NZ LYS A 71 -18.804 9.008 -17.236 1.00 5.62 N ATOM 0 H LYS A 71 -22.595 7.222 -21.948 1.00 1.80 H new ATOM 0 HA LYS A 71 -21.055 9.425 -23.214 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.076 7.044 -21.597 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.111 8.380 -22.195 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -20.833 9.857 -20.792 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -21.120 8.354 -19.938 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -18.609 8.159 -19.568 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -18.425 9.749 -20.283 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -19.048 10.786 -18.359 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -20.497 9.811 -18.221 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -19.035 9.479 -16.338 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -19.176 8.037 -17.224 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -17.771 8.982 -17.357 1.00 5.62 H new ATOM 1129 N LYS A 72 -20.401 8.019 -25.203 1.00 2.22 N ATOM 1130 CA LYS A 72 -20.128 7.244 -26.419 1.00 2.54 C ATOM 1131 C LYS A 72 -18.771 6.541 -26.310 1.00 1.92 C ATOM 1132 O LYS A 72 -17.846 6.799 -27.086 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.191 8.149 -27.666 1.00 3.71 C ATOM 1134 CG LYS A 72 -19.474 9.488 -27.463 1.00 4.59 C ATOM 1135 CD LYS A 72 -19.407 10.275 -28.774 1.00 5.67 C ATOM 1136 CE LYS A 72 -18.907 11.709 -28.549 1.00 6.56 C ATOM 1137 NZ LYS A 72 -17.420 11.787 -28.503 1.00 7.03 N ATOM 0 H LYS A 72 -20.162 9.008 -25.276 1.00 2.22 H new ATOM 0 HA LYS A 72 -20.897 6.478 -26.525 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.744 7.627 -28.512 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -21.234 8.335 -27.922 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -19.997 10.075 -26.708 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -18.466 9.312 -27.088 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -18.744 9.764 -29.472 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -20.395 10.302 -29.234 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -19.278 12.351 -29.348 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -19.318 12.093 -27.615 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -17.129 12.773 -28.349 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -17.065 11.196 -27.724 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -17.026 11.446 -29.403 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.678 5.644 -25.329 1.00 1.52 N ATOM 1152 CA LYS A 73 -17.469 4.863 -25.070 1.00 1.35 C ATOM 1153 C LYS A 73 -17.731 3.399 -25.455 1.00 1.05 C ATOM 1154 O LYS A 73 -18.146 3.112 -26.580 1.00 1.79 O ATOM 1155 CB LYS A 73 -17.089 4.980 -23.582 1.00 1.94 C ATOM 1156 CG LYS A 73 -16.828 6.434 -23.174 1.00 2.32 C ATOM 1157 CD LYS A 73 -15.453 6.911 -23.648 1.00 2.93 C ATOM 1158 CE LYS A 73 -14.563 7.342 -22.478 1.00 3.52 C ATOM 1159 NZ LYS A 73 -14.307 6.224 -21.517 1.00 3.96 N ATOM 0 H LYS A 73 -19.444 5.438 -24.688 1.00 1.52 H new ATOM 0 HA LYS A 73 -16.639 5.242 -25.666 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -17.891 4.569 -22.969 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -16.199 4.382 -23.386 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -17.602 7.076 -23.595 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -16.892 6.526 -22.090 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -14.962 6.111 -24.202 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -15.576 7.746 -24.337 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -13.613 7.711 -22.864 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -15.036 8.170 -21.951 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -13.715 6.568 -20.734 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -15.212 5.876 -21.140 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -13.816 5.450 -22.008 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.511 2.488 -24.508 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.738 1.055 -24.709 1.00 0.38 C ATOM 1175 C HIS A 74 -18.208 0.470 -23.378 1.00 0.30 C ATOM 1176 O HIS A 74 -17.403 -0.018 -22.576 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.451 0.357 -25.209 1.00 0.64 C ATOM 1178 CG HIS A 74 -16.431 0.137 -26.703 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.040 1.098 -27.602 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.757 -0.939 -27.467 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -16.115 0.652 -28.832 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.551 -0.596 -28.792 1.00 1.53 N ATOM 0 H HIS A 74 -17.169 2.723 -23.576 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.497 0.894 -25.475 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.587 0.958 -24.926 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.349 -0.605 -24.706 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.113 -1.892 -27.105 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.864 1.207 -29.724 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.708 -1.201 -29.598 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.520 0.551 -23.144 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.140 0.057 -21.912 1.00 0.23 C ATOM 1192 C VAL A 75 -20.879 -1.250 -22.200 1.00 0.22 C ATOM 1193 O VAL A 75 -21.337 -1.487 -23.318 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.129 1.116 -21.354 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.882 0.599 -20.122 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.403 2.416 -21.005 1.00 0.31 C ATOM 0 H VAL A 75 -20.182 0.961 -23.803 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.365 -0.126 -21.167 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.856 1.314 -22.141 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.564 1.370 -19.762 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.450 -0.292 -20.390 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.168 0.351 -19.337 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.119 3.140 -20.617 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.643 2.217 -20.250 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.929 2.819 -21.900 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.007 -2.089 -21.185 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.721 -3.356 -21.306 1.00 0.23 C ATOM 1208 C PHE A 76 -22.442 -3.638 -19.999 1.00 0.22 C ATOM 1209 O PHE A 76 -21.894 -3.438 -18.911 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.778 -4.504 -21.688 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.688 -4.813 -20.678 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.509 -4.083 -20.678 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.856 -5.850 -19.772 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.502 -4.393 -19.776 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.852 -6.156 -18.867 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.673 -5.430 -18.870 1.00 0.29 C ATOM 0 H PHE A 76 -20.622 -1.915 -20.257 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.451 -3.280 -22.112 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.373 -5.404 -21.843 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.309 -4.264 -22.642 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.375 -3.273 -21.380 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.773 -6.421 -19.772 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.583 -3.826 -19.779 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -18.989 -6.960 -18.160 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.888 -5.670 -18.168 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.684 -4.083 -20.107 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.507 -4.371 -18.935 1.00 0.28 C ATOM 1228 C LYS A 77 -24.276 -5.800 -18.457 1.00 0.31 C ATOM 1229 O LYS A 77 -24.097 -6.714 -19.260 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.997 -4.163 -19.242 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.233 -2.988 -20.205 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.535 -2.239 -19.886 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.693 -2.674 -20.798 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.339 -3.926 -20.315 1.00 1.95 N ATOM 0 H LYS A 77 -24.149 -4.254 -20.998 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.214 -3.678 -18.146 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.407 -5.075 -19.676 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.536 -3.982 -18.312 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.393 -2.296 -20.147 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.269 -3.360 -21.229 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.808 -2.415 -18.846 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.372 -1.167 -19.995 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.436 -1.878 -20.847 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.320 -2.825 -21.811 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.704 -4.464 -21.127 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.640 -4.502 -19.804 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.124 -3.687 -19.676 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.303 -5.974 -17.144 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.119 -7.272 -16.501 1.00 0.24 C ATOM 1250 C LEU A 78 -25.260 -7.477 -15.511 1.00 0.29 C ATOM 1251 O LEU A 78 -25.363 -6.756 -14.514 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.759 -7.317 -15.781 1.00 0.30 C ATOM 1253 CG LEU A 78 -21.912 -8.524 -16.202 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.750 -8.715 -15.223 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.753 -9.801 -16.297 1.00 0.30 C ATOM 0 H LEU A 78 -24.455 -5.210 -16.485 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.129 -8.069 -17.245 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.209 -6.400 -15.992 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.923 -7.350 -14.704 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.512 -8.324 -17.196 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.154 -9.574 -15.529 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.125 -7.822 -15.221 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.143 -8.885 -14.221 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.117 -10.634 -16.598 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.198 -10.017 -15.326 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.543 -9.662 -17.035 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.127 -8.437 -15.802 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.284 -8.723 -14.956 1.00 0.40 C ATOM 1269 C ARG A 79 -27.242 -10.160 -14.446 1.00 0.45 C ATOM 1270 O ARG A 79 -27.338 -11.105 -15.235 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.567 -8.491 -15.765 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.789 -8.374 -14.858 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.988 -9.131 -15.427 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.202 -8.808 -14.669 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.712 -9.644 -13.777 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.127 -10.842 -14.165 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.817 -9.276 -12.507 1.00 2.99 N ATOM 0 H ARG A 79 -26.052 -9.037 -16.624 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.265 -8.057 -14.093 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.465 -7.582 -16.358 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.710 -9.314 -16.465 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.547 -8.765 -13.869 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.049 -7.323 -14.731 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.126 -8.870 -16.476 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.801 -10.204 -15.387 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.666 -7.915 -14.833 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.052 -11.115 -15.145 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.521 -11.491 -13.483 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.505 -8.349 -12.217 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.210 -9.920 -11.820 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.130 -10.332 -13.124 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.114 -11.673 -12.530 1.00 0.68 C ATOM 1293 C LEU A 80 -28.556 -12.196 -12.437 1.00 0.84 C ATOM 1294 O LEU A 80 -29.514 -11.467 -12.713 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.471 -11.645 -11.139 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.140 -10.885 -11.117 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.483 -10.988 -9.738 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.184 -11.397 -12.197 1.00 1.26 C ATOM 0 H LEU A 80 -27.050 -9.569 -12.452 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.521 -12.336 -13.160 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.161 -11.182 -10.434 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.306 -12.667 -10.799 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.356 -9.838 -11.328 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.540 -10.442 -9.743 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.146 -10.560 -8.986 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.295 -12.035 -9.502 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.251 -10.836 -12.152 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.980 -12.455 -12.030 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.640 -11.266 -13.178 1.00 1.26 H new ATOM 1310 N SER A 81 -28.711 -13.457 -12.053 1.00 1.01 N ATOM 1311 CA SER A 81 -30.030 -14.071 -11.935 1.00 1.23 C ATOM 1312 C SER A 81 -30.698 -13.697 -10.606 1.00 1.40 C ATOM 1313 O SER A 81 -31.893 -13.396 -10.572 1.00 1.92 O ATOM 1314 CB SER A 81 -29.900 -15.596 -12.067 1.00 1.52 C ATOM 1315 OG SER A 81 -30.775 -16.099 -13.072 1.00 2.18 O ATOM 0 H SER A 81 -27.937 -14.078 -11.817 1.00 1.01 H new ATOM 0 HA SER A 81 -30.664 -13.694 -12.738 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.871 -15.857 -12.313 1.00 1.52 H new ATOM 0 HB3 SER A 81 -30.129 -16.068 -11.111 1.00 1.52 H new ATOM 0 HG SER A 81 -30.672 -17.071 -13.138 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.935 -13.736 -9.512 1.00 1.33 N ATOM 1322 CA ASP A 82 -30.473 -13.427 -8.180 1.00 1.76 C ATOM 1323 C ASP A 82 -29.358 -12.976 -7.219 1.00 1.31 C ATOM 1324 O ASP A 82 -29.045 -13.660 -6.240 1.00 1.74 O ATOM 1325 CB ASP A 82 -31.238 -14.655 -7.628 1.00 2.76 C ATOM 1326 CG ASP A 82 -30.336 -15.859 -7.311 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -29.337 -16.085 -8.027 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -30.639 -16.596 -6.347 1.00 3.77 O ATOM 0 H ASP A 82 -28.944 -13.978 -9.519 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.172 -12.595 -8.267 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -31.769 -14.363 -6.722 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -31.991 -14.959 -8.355 1.00 2.76 H new ATOM 1333 N GLY A 83 -28.759 -11.813 -7.485 1.00 1.09 N ATOM 1334 CA GLY A 83 -27.691 -11.304 -6.625 1.00 1.53 C ATOM 1335 C GLY A 83 -27.508 -9.792 -6.752 1.00 1.31 C ATOM 1336 O GLY A 83 -27.773 -9.045 -5.787 1.00 1.88 O ATOM 0 H GLY A 83 -28.991 -11.214 -8.277 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -27.914 -11.554 -5.588 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -26.756 -11.803 -6.879 1.00 1.53 H new ATOM 1340 N ASN A 84 -27.016 -9.347 -7.927 1.00 0.93 N ATOM 1341 CA ASN A 84 -26.745 -7.930 -8.177 1.00 0.71 C ATOM 1342 C ASN A 84 -26.950 -7.616 -9.666 1.00 0.62 C ATOM 1343 O ASN A 84 -27.131 -8.524 -10.486 1.00 0.65 O ATOM 1344 CB ASN A 84 -25.281 -7.584 -7.815 1.00 0.84 C ATOM 1345 CG ASN A 84 -24.762 -8.316 -6.568 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -24.710 -7.624 -5.441 1.00 1.73 O flip ATOM 1347 ND2 ASN A 84 -24.400 -9.491 -6.631 1.00 1.32 N flip ATOM 0 H ASN A 84 -26.800 -9.957 -8.715 1.00 0.93 H new ATOM 0 HA ASN A 84 -27.428 -7.343 -7.562 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -24.640 -7.828 -8.662 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.201 -6.509 -7.654 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -24.454 -9.994 -7.516 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -24.046 -9.961 -5.798 1.00 1.32 H new ATOM 1354 N GLU A 85 -26.885 -6.323 -9.999 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.020 -5.820 -11.368 1.00 0.55 C ATOM 1356 C GLU A 85 -26.094 -4.610 -11.533 1.00 0.47 C ATOM 1357 O GLU A 85 -26.090 -3.711 -10.681 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.465 -5.406 -11.623 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.359 -6.625 -11.858 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.741 -6.197 -12.338 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.835 -5.272 -13.174 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.746 -6.784 -11.875 1.00 1.39 O ATOM 0 H GLU A 85 -26.734 -5.584 -9.312 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.748 -6.597 -12.082 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.838 -4.837 -10.771 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.509 -4.747 -12.490 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.900 -7.282 -12.597 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.451 -7.198 -10.935 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.294 -4.584 -12.606 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.350 -3.479 -12.841 1.00 0.31 C ATOM 1371 C TYR A 86 -24.148 -3.184 -14.331 1.00 0.29 C ATOM 1372 O TYR A 86 -24.496 -3.985 -15.201 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.961 -3.835 -12.285 1.00 0.37 C ATOM 1374 CG TYR A 86 -22.931 -4.368 -10.874 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -22.813 -3.492 -9.815 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.968 -5.733 -10.640 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -22.730 -3.972 -8.526 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.890 -6.214 -9.348 1.00 0.62 C ATOM 1379 CZ TYR A 86 -22.765 -5.326 -8.294 1.00 0.63 C ATOM 1380 OH TYR A 86 -22.681 -5.793 -7.002 1.00 0.77 O ATOM 0 H TYR A 86 -25.279 -5.310 -13.323 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.783 -2.611 -12.345 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.507 -4.577 -12.942 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.334 -2.944 -12.329 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -22.786 -2.428 -9.997 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.058 -6.421 -11.468 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -22.637 -3.284 -7.698 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.926 -7.277 -9.161 1.00 0.62 H new ATOM 0 HH TYR A 86 -22.758 -5.042 -6.377 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.484 -2.055 -14.582 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.084 -1.614 -15.920 1.00 0.23 C ATOM 1392 C LEU A 87 -21.566 -1.456 -15.872 1.00 0.22 C ATOM 1393 O LEU A 87 -21.049 -0.792 -14.966 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.718 -0.267 -16.307 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.235 -0.239 -16.122 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.795 1.085 -16.646 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.899 -1.417 -16.835 1.00 0.38 C ATOM 0 H LEU A 87 -23.203 -1.408 -13.846 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.415 -2.340 -16.663 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.271 0.524 -15.705 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.482 -0.047 -17.348 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.455 -0.326 -15.058 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.877 1.101 -16.512 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.349 1.912 -16.094 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.559 1.186 -17.705 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.978 -1.371 -16.686 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.677 -1.369 -17.901 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.516 -2.352 -16.427 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.848 -2.077 -16.802 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.384 -2.012 -16.815 1.00 0.19 C ATOM 1411 C PHE A 88 -18.858 -1.288 -18.051 1.00 0.20 C ATOM 1412 O PHE A 88 -19.419 -1.405 -19.134 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.802 -3.423 -16.767 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.885 -4.055 -15.396 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.883 -3.827 -14.470 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.967 -4.852 -15.061 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.960 -4.395 -13.209 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.044 -5.421 -13.800 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.031 -5.232 -12.891 1.00 0.22 C ATOM 0 H PHE A 88 -21.252 -2.631 -17.557 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.072 -1.448 -15.936 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.331 -4.052 -17.483 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.759 -3.390 -17.082 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.039 -3.205 -14.731 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.751 -5.030 -15.783 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.195 -4.191 -12.475 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.904 -6.016 -13.530 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.063 -5.730 -11.933 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.751 -0.560 -17.877 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.099 0.175 -18.974 1.00 0.26 C ATOM 1431 C GLN A 89 -15.642 -0.266 -19.085 1.00 0.22 C ATOM 1432 O GLN A 89 -14.934 -0.332 -18.074 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.156 1.694 -18.733 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.072 2.475 -20.051 1.00 0.52 C ATOM 1435 CD GLN A 89 -17.272 3.973 -19.814 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.441 4.792 -20.207 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -18.376 4.335 -19.177 1.00 1.63 N ATOM 0 H GLN A 89 -17.280 -0.461 -16.977 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.629 -0.047 -19.900 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.082 1.947 -18.217 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.336 1.991 -18.080 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.102 2.303 -20.518 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.829 2.108 -20.744 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -19.041 3.627 -18.867 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -18.561 5.322 -18.997 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.198 -0.551 -20.308 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.816 -0.975 -20.560 1.00 0.24 C ATOM 1448 C ALA A 90 -13.028 0.153 -21.226 1.00 0.27 C ATOM 1449 O ALA A 90 -13.605 1.141 -21.694 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.807 -2.213 -21.462 1.00 0.29 C ATOM 0 H ALA A 90 -15.777 -0.496 -21.146 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.346 -1.219 -19.607 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.778 -2.522 -21.645 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.348 -3.023 -20.973 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.289 -1.976 -22.411 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.709 -0.003 -21.266 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.821 0.991 -21.877 1.00 0.44 C ATOM 1458 C LYS A 91 -10.892 0.913 -23.409 1.00 0.49 C ATOM 1459 O LYS A 91 -10.963 1.942 -24.084 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.379 0.782 -21.391 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.833 -0.605 -21.757 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.729 -1.052 -20.793 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.441 -1.420 -21.532 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.636 -2.585 -22.438 1.00 2.29 N ATOM 0 H LYS A 91 -11.224 -0.813 -20.880 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.151 1.985 -21.573 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.737 1.548 -21.826 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.341 0.911 -20.309 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.645 -1.332 -21.742 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.442 -0.585 -22.774 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.523 -0.253 -20.081 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.075 -1.910 -20.217 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -6.097 -0.563 -22.111 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -5.660 -1.650 -20.808 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.723 -3.055 -22.600 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.299 -3.257 -22.001 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.023 -2.258 -23.346 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.882 -0.312 -23.953 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.952 -0.534 -25.403 1.00 0.66 C ATOM 1480 C ASP A 92 -12.001 -1.602 -25.739 1.00 0.59 C ATOM 1481 O ASP A 92 -12.464 -2.340 -24.862 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.563 -0.907 -25.959 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.044 -2.231 -25.403 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.539 -3.292 -25.829 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -8.161 -2.214 -24.531 1.00 2.01 O ATOM 0 H ASP A 92 -10.826 -1.170 -23.405 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.264 0.393 -25.884 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.616 -0.969 -27.046 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -8.855 -0.114 -25.719 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.388 -1.658 -27.016 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.409 -2.605 -27.502 1.00 0.63 C ATOM 1492 C ASP A 93 -12.955 -4.066 -27.385 1.00 0.49 C ATOM 1493 O ASP A 93 -13.769 -4.950 -27.107 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.817 -2.264 -28.957 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.815 -2.785 -29.995 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.842 -2.068 -30.303 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -12.998 -3.913 -30.497 1.00 2.21 O ATOM 0 H ASP A 93 -12.007 -1.053 -27.744 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.282 -2.497 -26.859 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.800 -2.689 -29.163 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.909 -1.183 -29.059 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.658 -4.317 -27.592 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.101 -5.673 -27.512 1.00 0.41 C ATOM 1504 C GLU A 94 -11.244 -6.231 -26.093 1.00 0.36 C ATOM 1505 O GLU A 94 -11.707 -7.362 -25.903 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.627 -5.667 -27.937 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.171 -7.062 -28.387 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.940 -7.510 -27.608 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -6.988 -6.716 -27.485 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.926 -8.659 -27.114 1.00 2.59 O ATOM 0 H GLU A 94 -10.972 -3.597 -27.817 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.659 -6.317 -28.192 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.484 -4.955 -28.750 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.008 -5.330 -27.106 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.980 -7.778 -28.240 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.946 -7.049 -29.454 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.868 -5.426 -25.095 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.974 -5.829 -23.689 1.00 0.29 C ATOM 1519 C GLU A 95 -12.448 -5.997 -23.304 1.00 0.24 C ATOM 1520 O GLU A 95 -12.807 -6.943 -22.604 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.297 -4.805 -22.766 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.005 -5.428 -21.397 1.00 0.42 C ATOM 1523 CD GLU A 95 -8.913 -4.668 -20.660 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -7.807 -4.521 -21.216 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.160 -4.201 -19.533 1.00 1.30 O ATOM 0 H GLU A 95 -10.487 -4.490 -25.235 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.460 -6.782 -23.567 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.369 -4.456 -23.219 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -10.940 -3.933 -22.646 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.915 -5.433 -20.797 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.703 -6.467 -21.526 1.00 0.42 H new ATOM 1532 N MET A 96 -13.298 -5.086 -23.793 1.00 0.24 N ATOM 1533 CA MET A 96 -14.746 -5.131 -23.533 1.00 0.22 C ATOM 1534 C MET A 96 -15.342 -6.448 -24.052 1.00 0.22 C ATOM 1535 O MET A 96 -16.140 -7.092 -23.372 1.00 0.23 O ATOM 1536 CB MET A 96 -15.438 -3.940 -24.214 1.00 0.26 C ATOM 1537 CG MET A 96 -16.834 -3.681 -23.634 1.00 0.39 C ATOM 1538 SD MET A 96 -18.022 -3.163 -24.886 1.00 0.94 S ATOM 1539 CE MET A 96 -18.035 -4.607 -25.960 1.00 0.77 C ATOM 0 H MET A 96 -13.007 -4.301 -24.376 1.00 0.24 H new ATOM 0 HA MET A 96 -14.909 -5.073 -22.457 1.00 0.22 H new ATOM 0 HB2 MET A 96 -14.824 -3.047 -24.095 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.519 -4.131 -25.284 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.195 -4.588 -23.149 1.00 0.39 H new ATOM 0 HG3 MET A 96 -16.766 -2.913 -22.864 1.00 0.39 H new ATOM 0 HE1 MET A 96 -19.055 -4.808 -26.287 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.406 -4.419 -26.830 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.652 -5.469 -25.415 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.927 -6.844 -25.259 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.392 -8.085 -25.890 1.00 0.28 C ATOM 1551 C ASN A 97 -14.892 -9.304 -25.099 1.00 0.26 C ATOM 1552 O ASN A 97 -15.621 -10.280 -24.906 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.883 -8.137 -27.344 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.862 -8.892 -28.248 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.514 -9.843 -27.821 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.963 -8.475 -29.505 1.00 1.24 N ATOM 0 H ASN A 97 -14.262 -6.317 -25.825 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.482 -8.106 -25.891 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.745 -7.123 -27.720 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.908 -8.623 -27.373 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.597 -8.947 -30.150 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -15.407 -7.682 -29.826 1.00 1.24 H new ATOM 1563 N THR A 98 -13.646 -9.226 -24.623 1.00 0.25 N ATOM 1564 CA THR A 98 -13.035 -10.302 -23.834 1.00 0.27 C ATOM 1565 C THR A 98 -13.750 -10.449 -22.479 1.00 0.23 C ATOM 1566 O THR A 98 -14.009 -11.565 -22.028 1.00 0.27 O ATOM 1567 CB THR A 98 -11.535 -10.020 -23.630 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.916 -9.717 -24.880 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.831 -11.215 -22.976 1.00 0.39 C ATOM 0 H THR A 98 -13.036 -8.422 -24.772 1.00 0.25 H new ATOM 0 HA THR A 98 -13.142 -11.241 -24.378 1.00 0.27 H new ATOM 0 HB THR A 98 -11.442 -9.162 -22.965 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.128 -8.795 -25.135 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.773 -10.987 -22.845 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.282 -11.416 -22.004 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.936 -12.093 -23.614 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.082 -9.312 -21.848 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.784 -9.297 -20.552 1.00 0.20 C ATOM 1579 C TRP A 99 -16.144 -10.002 -20.663 1.00 0.21 C ATOM 1580 O TRP A 99 -16.455 -10.891 -19.869 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.986 -7.848 -20.068 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.815 -7.295 -19.307 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.040 -6.222 -19.655 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.291 -7.781 -18.050 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.081 -6.044 -18.698 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.203 -6.968 -17.709 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.634 -8.824 -17.187 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.465 -7.169 -16.554 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.902 -9.026 -16.026 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.826 -8.206 -15.714 1.00 0.29 C ATOM 0 H TRP A 99 -13.874 -8.384 -22.217 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.170 -9.832 -19.828 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.181 -7.210 -20.930 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.872 -7.807 -19.434 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.166 -5.616 -20.540 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.368 -5.315 -18.723 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.466 -9.471 -17.423 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.627 -6.531 -16.315 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.172 -9.830 -15.357 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.266 -8.380 -14.807 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.943 -9.601 -21.658 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.276 -10.182 -21.892 1.00 0.24 C ATOM 1603 C ILE A 100 -18.184 -11.703 -22.106 1.00 0.28 C ATOM 1604 O ILE A 100 -18.918 -12.473 -21.482 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.931 -9.506 -23.114 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.273 -8.043 -22.804 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.193 -10.250 -23.562 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.740 -7.299 -24.053 1.00 0.29 C ATOM 0 H ILE A 100 -16.689 -8.869 -22.322 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.892 -10.004 -21.011 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.208 -9.541 -23.929 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.053 -8.004 -22.044 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.398 -7.544 -22.388 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.626 -9.744 -24.425 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.935 -11.274 -23.833 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.917 -10.262 -22.747 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.973 -6.266 -23.795 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.950 -7.316 -24.803 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.631 -7.783 -24.453 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.280 -12.128 -22.991 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.092 -13.554 -23.297 1.00 0.35 C ATOM 1622 C GLN A 101 -16.576 -14.334 -22.078 1.00 0.36 C ATOM 1623 O GLN A 101 -16.996 -15.469 -21.840 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.135 -13.713 -24.484 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.799 -13.259 -25.790 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.857 -13.451 -26.979 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.105 -14.277 -27.856 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.784 -12.679 -27.026 1.00 1.76 N ATOM 0 H GLN A 101 -16.663 -11.505 -23.512 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.063 -13.972 -23.562 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.232 -13.128 -24.309 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.828 -14.755 -24.571 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.716 -13.826 -25.952 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -17.083 -12.210 -25.712 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.608 -12.004 -26.282 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.132 -12.759 -27.807 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.682 -13.721 -21.297 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.129 -14.361 -20.095 1.00 0.37 C ATOM 1639 C ALA A 102 -16.221 -14.534 -19.030 1.00 0.38 C ATOM 1640 O ALA A 102 -16.304 -15.576 -18.380 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.975 -13.528 -19.536 1.00 0.38 C ATOM 0 H ALA A 102 -15.324 -12.782 -21.474 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.751 -15.346 -20.369 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.574 -14.013 -18.646 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.190 -13.443 -20.288 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.337 -12.533 -19.276 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.070 -13.510 -18.881 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.186 -13.531 -17.919 1.00 0.38 C ATOM 1649 C ILE A 103 -19.229 -14.584 -18.329 1.00 0.47 C ATOM 1650 O ILE A 103 -19.880 -15.189 -17.473 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.821 -12.128 -17.848 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.902 -11.166 -17.080 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.206 -12.162 -17.192 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.141 -9.705 -17.477 1.00 0.35 C ATOM 0 H ILE A 103 -17.006 -12.646 -19.420 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.810 -13.802 -16.932 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.945 -11.773 -18.871 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.069 -11.283 -16.009 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.861 -11.428 -17.271 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.619 -11.154 -17.161 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.867 -12.807 -17.771 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.118 -12.549 -16.177 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.470 -9.059 -16.910 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.949 -9.581 -18.543 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.174 -9.434 -17.261 1.00 0.35 H new ATOM 1666 N SER A 104 -19.375 -14.807 -19.642 1.00 0.53 N ATOM 1667 CA SER A 104 -20.324 -15.793 -20.167 1.00 0.66 C ATOM 1668 C SER A 104 -19.875 -17.214 -19.800 1.00 0.72 C ATOM 1669 O SER A 104 -20.679 -18.033 -19.350 1.00 0.89 O ATOM 1670 CB SER A 104 -20.445 -15.649 -21.690 1.00 0.81 C ATOM 1671 OG SER A 104 -20.779 -14.313 -22.047 1.00 1.05 O ATOM 0 H SER A 104 -18.845 -14.315 -20.361 1.00 0.53 H new ATOM 0 HA SER A 104 -21.301 -15.612 -19.719 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.504 -15.932 -22.162 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.208 -16.332 -22.065 1.00 0.81 H new ATOM 0 HG SER A 104 -19.989 -13.741 -21.951 1.00 1.05 H new ATOM 1677 N SER A 105 -18.579 -17.492 -19.985 1.00 0.80 N ATOM 1678 CA SER A 105 -18.002 -18.805 -19.666 1.00 1.13 C ATOM 1679 C SER A 105 -17.905 -19.000 -18.146 1.00 1.23 C ATOM 1680 O SER A 105 -18.346 -20.019 -17.611 1.00 1.61 O ATOM 1681 CB SER A 105 -16.608 -18.934 -20.293 1.00 1.48 C ATOM 1682 OG SER A 105 -16.638 -18.578 -21.667 1.00 1.63 O ATOM 0 H SER A 105 -17.906 -16.821 -20.356 1.00 0.80 H new ATOM 0 HA SER A 105 -18.655 -19.575 -20.077 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.905 -18.293 -19.762 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.249 -19.958 -20.186 1.00 1.48 H new ATOM 0 HG SER A 105 -16.719 -17.605 -21.751 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.324 -18.006 -17.465 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.149 -18.025 -16.006 1.00 1.59 C ATOM 1690 C ALA A 106 -16.211 -19.162 -15.572 1.00 2.40 C ATOM 1691 O ALA A 106 -15.323 -19.549 -16.364 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.512 -18.139 -15.311 1.00 1.90 C ATOM 1693 OXT ALA A 106 -16.356 -19.669 -14.442 1.00 3.05 O ATOM 0 H ALA A 106 -16.961 -17.163 -17.910 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.684 -17.086 -15.705 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.369 -18.152 -14.230 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.133 -17.286 -15.585 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.004 -19.060 -15.623 1.00 1.90 H new TER 1699 ALA A 106