USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 785 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 26 ASN : amide:sc= 0.625 K(o=3.3,f=1.8) USER MOD Set 1.2: A 54 GLN : amide:sc= 2.66 K(o=3.3,f=-2.1!) USER MOD Set 2.1: A 25 THR OG1 : rot -78:sc= 2.21 USER MOD Set 2.2: A 27 SER OG : rot -97:sc= 1.22 USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.00865 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.117 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -91:sc= 0.0477 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.335 K(o=0.34,f=-5.2!) USER MOD Single : A 11 HIS : no HD1:sc= 0.158 K(o=0.16,f=-4.1!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 31 GLN : amide:sc= 0.281 K(o=0.28,f=-4.2!) USER MOD Single : A 36 MET CE :methyl 172:sc= 0 (180deg=-0.00737) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 149:sc= 0.00795 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 83:sc= 0.00675 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 1.69 (180deg=1.61) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -170:sc= 0 (180deg=-0.108) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc=0.000643 USER MOD Single : A 86 GLN : amide:sc= 1.14 K(o=1.1,f=-0.06) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.0845 K(o=-0.084,f=-0.71) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 89:sc= 1.09 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.647 K(o=0.65,f=-0.043) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.692 2.455 11.801 1.00 0.00 N ATOM 2 CA SER A 1 -4.702 1.706 13.088 1.00 0.00 C ATOM 3 C SER A 1 -3.859 0.425 13.004 1.00 0.00 C ATOM 4 O SER A 1 -2.721 0.413 13.476 1.00 0.00 O ATOM 5 CB SER A 1 -6.135 1.431 13.577 1.00 0.00 C ATOM 6 OG SER A 1 -6.891 0.800 12.550 1.00 0.00 O ATOM 0 H1 SER A 1 -4.560 3.469 11.990 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.913 2.110 11.204 1.00 0.00 H new ATOM 0 H3 SER A 1 -5.596 2.310 11.308 1.00 0.00 H new ATOM 0 HA SER A 1 -4.233 2.342 13.839 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.109 0.796 14.463 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.613 2.366 13.869 1.00 0.00 H new ATOM 0 HG SER A 1 -7.800 0.628 12.872 1.00 0.00 H new ATOM 14 N VAL A 2 -4.372 -0.648 12.384 1.00 0.00 N ATOM 15 CA VAL A 2 -3.655 -1.927 12.176 1.00 0.00 C ATOM 16 C VAL A 2 -2.660 -1.868 11.004 1.00 0.00 C ATOM 17 O VAL A 2 -2.802 -1.047 10.092 1.00 0.00 O ATOM 18 CB VAL A 2 -4.630 -3.114 12.011 1.00 0.00 C ATOM 19 CG1 VAL A 2 -5.458 -3.324 13.286 1.00 0.00 C ATOM 20 CG2 VAL A 2 -5.588 -2.965 10.821 1.00 0.00 C ATOM 0 H VAL A 2 -5.318 -0.657 12.003 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.072 -2.093 13.082 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.997 -3.980 11.818 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.137 -4.165 13.145 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.791 -3.532 14.123 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.035 -2.424 13.497 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.242 -3.836 10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.191 -2.066 10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.013 -2.887 9.898 1.00 0.00 H new ATOM 30 N SER A 3 -1.653 -2.748 11.015 1.00 0.00 N ATOM 31 CA SER A 3 -0.628 -2.854 9.961 1.00 0.00 C ATOM 32 C SER A 3 -1.202 -3.336 8.618 1.00 0.00 C ATOM 33 O SER A 3 -2.123 -4.156 8.580 1.00 0.00 O ATOM 34 CB SER A 3 0.500 -3.795 10.409 1.00 0.00 C ATOM 35 OG SER A 3 1.077 -3.342 11.628 1.00 0.00 O ATOM 0 H SER A 3 -1.522 -3.421 11.770 1.00 0.00 H new ATOM 0 HA SER A 3 -0.235 -1.849 9.804 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.109 -4.804 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.266 -3.847 9.635 1.00 0.00 H new ATOM 0 HG SER A 3 1.792 -3.955 11.899 1.00 0.00 H new ATOM 41 N ILE A 4 -0.629 -2.853 7.505 1.00 0.00 N ATOM 42 CA ILE A 4 -1.120 -3.109 6.133 1.00 0.00 C ATOM 43 C ILE A 4 -0.539 -4.373 5.464 1.00 0.00 C ATOM 44 O ILE A 4 -0.889 -4.677 4.324 1.00 0.00 O ATOM 45 CB ILE A 4 -0.982 -1.858 5.224 1.00 0.00 C ATOM 46 CG1 ILE A 4 0.440 -1.569 4.683 1.00 0.00 C ATOM 47 CG2 ILE A 4 -1.596 -0.610 5.884 1.00 0.00 C ATOM 48 CD1 ILE A 4 1.551 -1.330 5.716 1.00 0.00 C ATOM 0 H ILE A 4 0.203 -2.263 7.528 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.182 -3.322 6.255 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.558 -2.114 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.739 -2.408 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.384 -0.692 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.481 0.247 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.655 -0.783 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.087 -0.409 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.492 -1.140 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.295 -0.469 6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.655 -2.211 6.349 1.00 0.00 H new ATOM 60 N LEU A 5 0.354 -5.104 6.152 1.00 0.00 N ATOM 61 CA LEU A 5 1.068 -6.289 5.638 1.00 0.00 C ATOM 62 C LEU A 5 1.777 -6.011 4.292 1.00 0.00 C ATOM 63 O LEU A 5 1.574 -6.710 3.301 1.00 0.00 O ATOM 64 CB LEU A 5 0.116 -7.509 5.666 1.00 0.00 C ATOM 65 CG LEU A 5 0.772 -8.891 5.458 1.00 0.00 C ATOM 66 CD1 LEU A 5 1.825 -9.220 6.521 1.00 0.00 C ATOM 67 CD2 LEU A 5 -0.305 -9.977 5.510 1.00 0.00 C ATOM 0 H LEU A 5 0.609 -4.880 7.114 1.00 0.00 H new ATOM 0 HA LEU A 5 1.901 -6.542 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.403 -7.517 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.642 -7.370 4.895 1.00 0.00 H new ATOM 0 HG LEU A 5 1.268 -8.858 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.250 -10.204 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.616 -8.471 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.359 -9.220 7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.156 -10.954 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.801 -9.952 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.038 -9.800 4.723 1.00 0.00 H new ATOM 79 N ARG A 6 2.598 -4.948 4.267 1.00 0.00 N ATOM 80 CA ARG A 6 3.482 -4.488 3.168 1.00 0.00 C ATOM 81 C ARG A 6 2.865 -4.327 1.763 1.00 0.00 C ATOM 82 O ARG A 6 3.585 -4.342 0.767 1.00 0.00 O ATOM 83 CB ARG A 6 4.863 -5.190 3.231 1.00 0.00 C ATOM 84 CG ARG A 6 4.963 -6.718 3.040 1.00 0.00 C ATOM 85 CD ARG A 6 4.765 -7.238 1.605 1.00 0.00 C ATOM 86 NE ARG A 6 3.340 -7.435 1.279 1.00 0.00 N ATOM 87 CZ ARG A 6 2.812 -7.729 0.107 1.00 0.00 C ATOM 88 NH1 ARG A 6 3.540 -7.913 -0.957 1.00 0.00 N ATOM 89 NH2 ARG A 6 1.520 -7.846 -0.008 1.00 0.00 N ATOM 0 H ARG A 6 2.671 -4.334 5.078 1.00 0.00 H new ATOM 0 HA ARG A 6 3.651 -3.431 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.496 -4.727 2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.302 -4.955 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.942 -7.044 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.221 -7.193 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.204 -6.532 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.298 -8.181 1.485 1.00 0.00 H new ATOM 0 HE ARG A 6 2.684 -7.331 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.555 -7.831 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.095 -8.139 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.921 -7.710 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.107 -8.073 -0.913 1.00 0.00 H new ATOM 103 N SER A 7 1.546 -4.132 1.675 1.00 0.00 N ATOM 104 CA SER A 7 0.829 -3.890 0.408 1.00 0.00 C ATOM 105 C SER A 7 1.135 -2.526 -0.238 1.00 0.00 C ATOM 106 O SER A 7 1.005 -2.379 -1.457 1.00 0.00 O ATOM 107 CB SER A 7 -0.680 -4.018 0.635 1.00 0.00 C ATOM 108 OG SER A 7 -1.130 -3.025 1.547 1.00 0.00 O ATOM 0 H SER A 7 0.933 -4.137 2.490 1.00 0.00 H new ATOM 0 HA SER A 7 1.186 -4.648 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.207 -3.915 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.913 -5.010 1.023 1.00 0.00 H new ATOM 0 HG SER A 7 -1.100 -3.381 2.460 1.00 0.00 H new ATOM 114 N SER A 8 1.552 -1.531 0.553 1.00 0.00 N ATOM 115 CA SER A 8 1.933 -0.183 0.104 1.00 0.00 C ATOM 116 C SER A 8 3.354 -0.116 -0.487 1.00 0.00 C ATOM 117 O SER A 8 4.203 -0.978 -0.236 1.00 0.00 O ATOM 118 CB SER A 8 1.780 0.812 1.265 1.00 0.00 C ATOM 119 OG SER A 8 2.552 0.408 2.390 1.00 0.00 O ATOM 0 H SER A 8 1.637 -1.645 1.563 1.00 0.00 H new ATOM 0 HA SER A 8 1.257 0.087 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.094 1.804 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.730 0.887 1.548 1.00 0.00 H new ATOM 0 HG SER A 8 2.439 1.058 3.115 1.00 0.00 H new ATOM 125 N VAL A 9 3.631 0.933 -1.276 1.00 0.00 N ATOM 126 CA VAL A 9 4.965 1.204 -1.849 1.00 0.00 C ATOM 127 C VAL A 9 5.918 1.711 -0.759 1.00 0.00 C ATOM 128 O VAL A 9 5.585 2.636 -0.015 1.00 0.00 O ATOM 129 CB VAL A 9 4.882 2.209 -3.021 1.00 0.00 C ATOM 130 CG1 VAL A 9 6.259 2.534 -3.616 1.00 0.00 C ATOM 131 CG2 VAL A 9 4.013 1.653 -4.160 1.00 0.00 C ATOM 0 H VAL A 9 2.930 1.626 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 9 5.359 0.269 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 9 4.446 3.115 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.143 3.244 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.895 2.970 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.718 1.619 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.970 2.378 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.446 0.722 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.006 1.463 -3.790 1.00 0.00 H new ATOM 141 N ASN A 10 7.123 1.136 -0.680 1.00 0.00 N ATOM 142 CA ASN A 10 8.161 1.548 0.270 1.00 0.00 C ATOM 143 C ASN A 10 9.020 2.686 -0.323 1.00 0.00 C ATOM 144 O ASN A 10 9.687 2.505 -1.345 1.00 0.00 O ATOM 145 CB ASN A 10 8.982 0.306 0.676 1.00 0.00 C ATOM 146 CG ASN A 10 10.026 0.580 1.753 1.00 0.00 C ATOM 147 OD1 ASN A 10 10.254 1.706 2.174 1.00 0.00 O ATOM 148 ND2 ASN A 10 10.705 -0.440 2.224 1.00 0.00 N ATOM 0 H ASN A 10 7.408 0.363 -1.281 1.00 0.00 H new ATOM 0 HA ASN A 10 7.713 1.959 1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.301 -0.467 1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.481 -0.092 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.419 -0.292 2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.519 -1.381 1.876 1.00 0.00 H new ATOM 155 N HIS A 11 9.049 3.847 0.341 1.00 0.00 N ATOM 156 CA HIS A 11 9.795 5.034 -0.112 1.00 0.00 C ATOM 157 C HIS A 11 11.292 5.013 0.235 1.00 0.00 C ATOM 158 O HIS A 11 12.027 5.872 -0.250 1.00 0.00 O ATOM 159 CB HIS A 11 9.064 6.320 0.309 1.00 0.00 C ATOM 160 CG HIS A 11 7.852 6.571 -0.556 1.00 0.00 C ATOM 161 ND1 HIS A 11 7.827 7.406 -1.677 1.00 0.00 N ATOM 162 CD2 HIS A 11 6.647 5.940 -0.459 1.00 0.00 C ATOM 163 CE1 HIS A 11 6.627 7.224 -2.255 1.00 0.00 C ATOM 164 NE2 HIS A 11 5.891 6.365 -1.532 1.00 0.00 N ATOM 0 H HIS A 11 8.550 3.994 1.219 1.00 0.00 H new ATOM 0 HA HIS A 11 9.805 5.011 -1.202 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.759 6.242 1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.745 7.168 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.344 5.243 0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 11 6.302 7.700 -3.168 1.00 0.00 H new ATOM 0 HE2 HIS A 11 4.935 6.076 -1.741 1.00 0.00 H new ATOM 172 N ARG A 12 11.790 4.001 0.966 1.00 0.00 N ATOM 173 CA ARG A 12 13.241 3.766 1.147 1.00 0.00 C ATOM 174 C ARG A 12 13.978 3.625 -0.190 1.00 0.00 C ATOM 175 O ARG A 12 15.117 4.056 -0.303 1.00 0.00 O ATOM 176 CB ARG A 12 13.445 2.515 2.018 1.00 0.00 C ATOM 177 CG ARG A 12 14.909 2.117 2.293 1.00 0.00 C ATOM 178 CD ARG A 12 15.791 3.218 2.908 1.00 0.00 C ATOM 179 NE ARG A 12 17.110 2.664 3.273 1.00 0.00 N ATOM 180 CZ ARG A 12 18.226 3.318 3.547 1.00 0.00 C ATOM 181 NH1 ARG A 12 18.325 4.616 3.508 1.00 0.00 N ATOM 182 NH2 ARG A 12 19.300 2.659 3.880 1.00 0.00 N ATOM 0 H ARG A 12 11.203 3.321 1.449 1.00 0.00 H new ATOM 0 HA ARG A 12 13.668 4.636 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.947 2.677 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.945 1.675 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.914 1.256 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.362 1.795 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.915 4.035 2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.305 3.634 3.791 1.00 0.00 H new ATOM 0 HE ARG A 12 17.168 1.647 3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.515 5.182 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.213 5.067 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.279 1.640 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 12 20.162 3.162 4.092 1.00 0.00 H new ATOM 196 N GLU A 13 13.311 3.094 -1.215 1.00 0.00 N ATOM 197 CA GLU A 13 13.847 3.030 -2.581 1.00 0.00 C ATOM 198 C GLU A 13 14.122 4.435 -3.156 1.00 0.00 C ATOM 199 O GLU A 13 15.173 4.671 -3.752 1.00 0.00 O ATOM 200 CB GLU A 13 12.833 2.263 -3.445 1.00 0.00 C ATOM 201 CG GLU A 13 13.355 1.891 -4.837 1.00 0.00 C ATOM 202 CD GLU A 13 14.337 0.706 -4.777 1.00 0.00 C ATOM 203 OE1 GLU A 13 15.556 0.922 -4.584 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.891 -0.459 -4.923 1.00 0.00 O ATOM 0 H GLU A 13 12.378 2.693 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 13 14.807 2.514 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.541 1.352 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.934 2.869 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.516 1.636 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.851 2.753 -5.282 1.00 0.00 H new ATOM 211 N VAL A 14 13.214 5.390 -2.920 1.00 0.00 N ATOM 212 CA VAL A 14 13.375 6.795 -3.341 1.00 0.00 C ATOM 213 C VAL A 14 14.435 7.510 -2.499 1.00 0.00 C ATOM 214 O VAL A 14 15.282 8.211 -3.048 1.00 0.00 O ATOM 215 CB VAL A 14 12.025 7.543 -3.296 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.181 9.035 -3.609 1.00 0.00 C ATOM 217 CG2 VAL A 14 11.039 6.943 -4.304 1.00 0.00 C ATOM 0 H VAL A 14 12.338 5.212 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 14 13.723 6.796 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 14 11.646 7.432 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.206 9.520 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.847 9.493 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.602 9.155 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.094 7.485 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.452 7.023 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.868 5.893 -4.065 1.00 0.00 H new ATOM 227 N ASP A 15 14.437 7.299 -1.182 1.00 0.00 N ATOM 228 CA ASP A 15 15.464 7.829 -0.275 1.00 0.00 C ATOM 229 C ASP A 15 16.881 7.348 -0.657 1.00 0.00 C ATOM 230 O ASP A 15 17.797 8.162 -0.789 1.00 0.00 O ATOM 231 CB ASP A 15 15.086 7.404 1.149 1.00 0.00 C ATOM 232 CG ASP A 15 16.181 7.688 2.185 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.525 8.877 2.390 1.00 0.00 O ATOM 234 OD2 ASP A 15 16.676 6.716 2.801 1.00 0.00 O ATOM 0 H ASP A 15 13.720 6.750 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 15 15.496 8.916 -0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.174 7.923 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.861 6.337 1.153 1.00 0.00 H new ATOM 239 N GLU A 16 17.052 6.049 -0.914 1.00 0.00 N ATOM 240 CA GLU A 16 18.316 5.477 -1.384 1.00 0.00 C ATOM 241 C GLU A 16 18.695 5.979 -2.787 1.00 0.00 C ATOM 242 O GLU A 16 19.862 6.295 -3.021 1.00 0.00 O ATOM 243 CB GLU A 16 18.234 3.942 -1.350 1.00 0.00 C ATOM 244 CG GLU A 16 19.534 3.295 -1.845 1.00 0.00 C ATOM 245 CD GLU A 16 19.541 1.775 -1.591 1.00 0.00 C ATOM 246 OE1 GLU A 16 19.725 1.348 -0.422 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.392 0.989 -2.557 1.00 0.00 O ATOM 0 H GLU A 16 16.310 5.358 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 16 19.107 5.809 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.027 3.611 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.402 3.608 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.654 3.487 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.385 3.753 -1.340 1.00 0.00 H new ATOM 254 N ALA A 17 17.738 6.097 -3.715 1.00 0.00 N ATOM 255 CA ALA A 17 18.020 6.615 -5.050 1.00 0.00 C ATOM 256 C ALA A 17 18.468 8.090 -5.012 1.00 0.00 C ATOM 257 O ALA A 17 19.433 8.457 -5.686 1.00 0.00 O ATOM 258 CB ALA A 17 16.792 6.418 -5.952 1.00 0.00 C ATOM 0 H ALA A 17 16.763 5.840 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 17 18.854 6.052 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.006 6.806 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.556 5.356 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.941 6.952 -5.530 1.00 0.00 H new ATOM 264 N ILE A 18 17.827 8.914 -4.177 1.00 0.00 N ATOM 265 CA ILE A 18 18.229 10.307 -3.932 1.00 0.00 C ATOM 266 C ILE A 18 19.636 10.367 -3.319 1.00 0.00 C ATOM 267 O ILE A 18 20.473 11.107 -3.826 1.00 0.00 O ATOM 268 CB ILE A 18 17.158 11.038 -3.081 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.927 11.344 -3.969 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.698 12.339 -2.448 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.703 11.876 -3.210 1.00 0.00 C ATOM 0 H ILE A 18 17.004 8.631 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 18 18.287 10.838 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 18 16.875 10.381 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.214 12.075 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.642 10.434 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.910 12.813 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.542 12.105 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.024 13.019 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.891 12.062 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.383 11.139 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.964 12.805 -2.704 1.00 0.00 H new ATOM 283 N ASP A 19 19.938 9.570 -2.292 1.00 0.00 N ATOM 284 CA ASP A 19 21.275 9.514 -1.680 1.00 0.00 C ATOM 285 C ASP A 19 22.365 9.037 -2.666 1.00 0.00 C ATOM 286 O ASP A 19 23.447 9.627 -2.733 1.00 0.00 O ATOM 287 CB ASP A 19 21.198 8.602 -0.448 1.00 0.00 C ATOM 288 CG ASP A 19 22.540 8.512 0.287 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.832 9.371 1.153 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.322 7.572 0.017 1.00 0.00 O ATOM 0 H ASP A 19 19.263 8.942 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 19 21.570 10.522 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.436 8.979 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.886 7.604 -0.755 1.00 0.00 H new ATOM 295 N ASN A 20 22.062 8.037 -3.499 1.00 0.00 N ATOM 296 CA ASN A 20 22.970 7.570 -4.546 1.00 0.00 C ATOM 297 C ASN A 20 23.246 8.660 -5.596 1.00 0.00 C ATOM 298 O ASN A 20 24.399 8.880 -5.956 1.00 0.00 O ATOM 299 CB ASN A 20 22.389 6.291 -5.170 1.00 0.00 C ATOM 300 CG ASN A 20 23.328 5.687 -6.203 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.254 4.960 -5.876 1.00 0.00 O ATOM 302 ND2 ASN A 20 23.141 5.972 -7.474 1.00 0.00 N ATOM 0 H ASN A 20 21.178 7.529 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 20 23.940 7.338 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.194 5.560 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.431 6.518 -5.639 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.767 5.587 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 20 22.370 6.578 -7.753 1.00 0.00 H new ATOM 309 N ILE A 21 22.210 9.378 -6.051 1.00 0.00 N ATOM 310 CA ILE A 21 22.365 10.521 -6.969 1.00 0.00 C ATOM 311 C ILE A 21 23.170 11.651 -6.318 1.00 0.00 C ATOM 312 O ILE A 21 24.093 12.177 -6.931 1.00 0.00 O ATOM 313 CB ILE A 21 20.980 11.007 -7.468 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.449 10.022 -8.531 1.00 0.00 C ATOM 315 CG2 ILE A 21 21.063 12.431 -8.048 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.940 10.150 -8.782 1.00 0.00 C ATOM 0 H ILE A 21 21.242 9.185 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 21 22.932 10.191 -7.839 1.00 0.00 H new ATOM 0 HB ILE A 21 20.294 11.038 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.981 10.189 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.672 9.003 -8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 21 20.076 12.743 -8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.415 13.118 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.757 12.442 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.635 9.429 -9.540 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.399 9.954 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.713 11.158 -9.128 1.00 0.00 H new ATOM 328 N LEU A 22 22.852 11.999 -5.073 1.00 0.00 N ATOM 329 CA LEU A 22 23.525 13.043 -4.298 1.00 0.00 C ATOM 330 C LEU A 22 25.042 12.794 -4.202 1.00 0.00 C ATOM 331 O LEU A 22 25.838 13.702 -4.451 1.00 0.00 O ATOM 332 CB LEU A 22 22.839 13.039 -2.918 1.00 0.00 C ATOM 333 CG LEU A 22 23.363 14.059 -1.905 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.962 15.475 -2.310 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.778 13.756 -0.524 1.00 0.00 C ATOM 0 H LEU A 22 22.095 11.549 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 22 23.436 14.019 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.773 13.216 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.941 12.043 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 22 24.450 13.990 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.344 16.185 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.380 15.705 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.875 15.547 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.152 14.483 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.691 13.815 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.074 12.754 -0.215 1.00 0.00 H new ATOM 347 N ARG A 23 25.444 11.546 -3.916 1.00 0.00 N ATOM 348 CA ARG A 23 26.858 11.133 -3.880 1.00 0.00 C ATOM 349 C ARG A 23 27.492 11.053 -5.274 1.00 0.00 C ATOM 350 O ARG A 23 28.577 11.597 -5.471 1.00 0.00 O ATOM 351 CB ARG A 23 26.989 9.800 -3.128 1.00 0.00 C ATOM 352 CG ARG A 23 26.637 9.951 -1.641 1.00 0.00 C ATOM 353 CD ARG A 23 26.676 8.603 -0.910 1.00 0.00 C ATOM 354 NE ARG A 23 25.890 8.671 0.329 1.00 0.00 N ATOM 355 CZ ARG A 23 26.239 9.119 1.516 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.469 9.416 1.834 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.307 9.290 2.404 1.00 0.00 N ATOM 0 H ARG A 23 24.794 10.790 -3.702 1.00 0.00 H new ATOM 0 HA ARG A 23 27.413 11.904 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.333 9.059 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 23 28.008 9.426 -3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.337 10.641 -1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.643 10.389 -1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.281 7.820 -1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.708 8.336 -0.680 1.00 0.00 H new ATOM 0 HE ARG A 23 24.935 8.320 0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.215 9.304 1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.685 9.760 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.337 9.078 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.545 9.636 3.333 1.00 0.00 H new ATOM 371 N TYR A 24 26.802 10.462 -6.256 1.00 0.00 N ATOM 372 CA TYR A 24 27.274 10.358 -7.650 1.00 0.00 C ATOM 373 C TYR A 24 27.534 11.729 -8.298 1.00 0.00 C ATOM 374 O TYR A 24 28.528 11.912 -9.004 1.00 0.00 O ATOM 375 CB TYR A 24 26.229 9.567 -8.454 1.00 0.00 C ATOM 376 CG TYR A 24 26.492 9.487 -9.947 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.588 8.743 -10.429 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.641 10.153 -10.855 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.836 8.667 -11.811 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.877 10.063 -12.241 1.00 0.00 C ATOM 381 CZ TYR A 24 26.979 9.321 -12.722 1.00 0.00 C ATOM 382 OH TYR A 24 27.224 9.230 -14.058 1.00 0.00 O ATOM 0 H TYR A 24 25.887 10.035 -6.107 1.00 0.00 H new ATOM 0 HA TYR A 24 28.234 9.841 -7.651 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.177 8.554 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.251 10.022 -8.297 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.238 8.230 -9.736 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.807 10.733 -10.487 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.684 8.107 -12.176 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.216 10.561 -12.935 1.00 0.00 H new ATOM 0 HH TYR A 24 26.543 9.734 -14.551 1.00 0.00 H new ATOM 392 N THR A 25 26.680 12.716 -8.014 1.00 0.00 N ATOM 393 CA THR A 25 26.822 14.098 -8.502 1.00 0.00 C ATOM 394 C THR A 25 27.762 14.972 -7.661 1.00 0.00 C ATOM 395 O THR A 25 28.014 16.111 -8.047 1.00 0.00 O ATOM 396 CB THR A 25 25.466 14.802 -8.613 1.00 0.00 C ATOM 397 OG1 THR A 25 24.801 14.800 -7.374 1.00 0.00 O ATOM 398 CG2 THR A 25 24.533 14.182 -9.643 1.00 0.00 C ATOM 0 H THR A 25 25.856 12.579 -7.429 1.00 0.00 H new ATOM 0 HA THR A 25 27.273 13.987 -9.488 1.00 0.00 H new ATOM 0 HB THR A 25 25.701 15.816 -8.936 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.408 13.916 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.594 14.735 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.999 14.223 -10.627 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.336 13.143 -9.377 1.00 0.00 H new ATOM 406 N ASN A 26 28.293 14.475 -6.531 1.00 0.00 N ATOM 407 CA ASN A 26 29.146 15.238 -5.607 1.00 0.00 C ATOM 408 C ASN A 26 28.482 16.561 -5.134 1.00 0.00 C ATOM 409 O ASN A 26 29.135 17.599 -5.006 1.00 0.00 O ATOM 410 CB ASN A 26 30.550 15.379 -6.233 1.00 0.00 C ATOM 411 CG ASN A 26 31.577 16.005 -5.302 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.803 15.551 -4.187 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.236 17.058 -5.729 1.00 0.00 N ATOM 0 H ASN A 26 28.138 13.513 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 26 29.271 14.694 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.902 14.394 -6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.476 15.984 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.936 17.498 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.047 17.436 -6.658 1.00 0.00 H new ATOM 420 N SER A 27 27.161 16.526 -4.919 1.00 0.00 N ATOM 421 CA SER A 27 26.331 17.713 -4.661 1.00 0.00 C ATOM 422 C SER A 27 25.748 17.755 -3.237 1.00 0.00 C ATOM 423 O SER A 27 25.908 16.816 -2.450 1.00 0.00 O ATOM 424 CB SER A 27 25.218 17.790 -5.712 1.00 0.00 C ATOM 425 OG SER A 27 24.286 16.736 -5.541 1.00 0.00 O ATOM 0 H SER A 27 26.628 15.657 -4.919 1.00 0.00 H new ATOM 0 HA SER A 27 26.979 18.586 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.706 18.749 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.652 17.739 -6.711 1.00 0.00 H new ATOM 0 HG SER A 27 24.502 16.005 -6.157 1.00 0.00 H new ATOM 431 N THR A 28 25.076 18.866 -2.904 1.00 0.00 N ATOM 432 CA THR A 28 24.229 18.989 -1.700 1.00 0.00 C ATOM 433 C THR A 28 22.748 19.012 -2.095 1.00 0.00 C ATOM 434 O THR A 28 22.394 19.421 -3.201 1.00 0.00 O ATOM 435 CB THR A 28 24.647 20.158 -0.793 1.00 0.00 C ATOM 436 OG1 THR A 28 23.856 20.133 0.377 1.00 0.00 O ATOM 437 CG2 THR A 28 24.499 21.548 -1.411 1.00 0.00 C ATOM 0 H THR A 28 25.103 19.716 -3.467 1.00 0.00 H new ATOM 0 HA THR A 28 24.384 18.104 -1.083 1.00 0.00 H new ATOM 0 HB THR A 28 25.710 20.008 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.116 20.874 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 28 24.820 22.302 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.116 21.615 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 28 23.456 21.719 -1.675 1.00 0.00 H new ATOM 445 N GLU A 29 21.850 18.577 -1.206 1.00 0.00 N ATOM 446 CA GLU A 29 20.432 18.343 -1.543 1.00 0.00 C ATOM 447 C GLU A 29 19.703 19.618 -2.002 1.00 0.00 C ATOM 448 O GLU A 29 18.811 19.544 -2.846 1.00 0.00 O ATOM 449 CB GLU A 29 19.704 17.683 -0.357 1.00 0.00 C ATOM 450 CG GLU A 29 20.291 16.319 0.026 1.00 0.00 C ATOM 451 CD GLU A 29 19.560 15.686 1.223 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.639 16.231 2.351 1.00 0.00 O ATOM 453 OE2 GLU A 29 18.909 14.629 1.041 1.00 0.00 O ATOM 0 H GLU A 29 22.079 18.376 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 29 20.415 17.663 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.751 18.347 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.650 17.561 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.232 15.647 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.347 16.435 0.268 1.00 0.00 H new ATOM 460 N GLN A 30 20.134 20.801 -1.542 1.00 0.00 N ATOM 461 CA GLN A 30 19.611 22.093 -2.022 1.00 0.00 C ATOM 462 C GLN A 30 19.926 22.336 -3.512 1.00 0.00 C ATOM 463 O GLN A 30 19.066 22.816 -4.247 1.00 0.00 O ATOM 464 CB GLN A 30 20.177 23.236 -1.159 1.00 0.00 C ATOM 465 CG GLN A 30 19.669 23.197 0.297 1.00 0.00 C ATOM 466 CD GLN A 30 20.196 24.343 1.167 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.935 25.222 0.742 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.830 24.383 2.432 1.00 0.00 N ATOM 0 H GLN A 30 20.855 20.892 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 30 18.525 22.066 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.266 23.181 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.906 24.192 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.579 23.228 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.959 22.248 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.215 23.661 2.808 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.162 25.136 3.035 1.00 0.00 H new ATOM 477 N GLN A 31 21.119 21.944 -3.983 1.00 0.00 N ATOM 478 CA GLN A 31 21.491 22.035 -5.405 1.00 0.00 C ATOM 479 C GLN A 31 20.658 21.067 -6.250 1.00 0.00 C ATOM 480 O GLN A 31 20.160 21.439 -7.308 1.00 0.00 O ATOM 481 CB GLN A 31 22.982 21.707 -5.602 1.00 0.00 C ATOM 482 CG GLN A 31 23.939 22.738 -4.980 1.00 0.00 C ATOM 483 CD GLN A 31 25.394 22.258 -4.971 1.00 0.00 C ATOM 484 OE1 GLN A 31 25.691 21.077 -4.850 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.357 23.149 -5.059 1.00 0.00 N ATOM 0 H GLN A 31 21.853 21.555 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 31 21.297 23.058 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.188 20.728 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.189 21.633 -6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.872 23.673 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.624 22.951 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 31 26.129 24.138 -5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.332 22.851 -5.026 1.00 0.00 H new ATOM 494 N PHE A 32 20.457 19.837 -5.760 1.00 0.00 N ATOM 495 CA PHE A 32 19.639 18.833 -6.446 1.00 0.00 C ATOM 496 C PHE A 32 18.161 19.266 -6.521 1.00 0.00 C ATOM 497 O PHE A 32 17.554 19.164 -7.585 1.00 0.00 O ATOM 498 CB PHE A 32 19.865 17.474 -5.753 1.00 0.00 C ATOM 499 CG PHE A 32 19.219 16.231 -6.358 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.729 16.198 -7.682 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.138 15.068 -5.568 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.107 15.039 -8.179 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.525 13.906 -6.070 1.00 0.00 C ATOM 504 CZ PHE A 32 17.987 13.899 -7.368 1.00 0.00 C ATOM 0 H PHE A 32 20.856 19.512 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 32 19.943 18.731 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.940 17.300 -5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.513 17.564 -4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 32 18.832 17.067 -8.315 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.550 15.068 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.720 15.026 -9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.468 13.018 -5.457 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.483 13.020 -7.741 1.00 0.00 H new ATOM 514 N LEU A 33 17.597 19.832 -5.446 1.00 0.00 N ATOM 515 CA LEU A 33 16.237 20.398 -5.448 1.00 0.00 C ATOM 516 C LEU A 33 16.106 21.572 -6.424 1.00 0.00 C ATOM 517 O LEU A 33 15.183 21.592 -7.234 1.00 0.00 O ATOM 518 CB LEU A 33 15.846 20.761 -3.997 1.00 0.00 C ATOM 519 CG LEU A 33 14.430 21.316 -3.721 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.267 22.794 -4.089 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.326 20.518 -4.416 1.00 0.00 C ATOM 0 H LEU A 33 18.071 19.912 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 33 15.531 19.653 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.974 19.866 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.564 21.497 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 33 14.322 21.212 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.249 23.114 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.969 23.393 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.467 22.928 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.357 20.958 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.484 20.541 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.349 19.485 -4.067 1.00 0.00 H new ATOM 533 N GLU A 34 17.041 22.519 -6.387 1.00 0.00 N ATOM 534 CA GLU A 34 17.033 23.683 -7.283 1.00 0.00 C ATOM 535 C GLU A 34 17.142 23.273 -8.759 1.00 0.00 C ATOM 536 O GLU A 34 16.400 23.781 -9.604 1.00 0.00 O ATOM 537 CB GLU A 34 18.156 24.649 -6.871 1.00 0.00 C ATOM 538 CG GLU A 34 18.141 25.947 -7.682 1.00 0.00 C ATOM 539 CD GLU A 34 19.212 26.928 -7.171 1.00 0.00 C ATOM 540 OE1 GLU A 34 20.390 26.824 -7.593 1.00 0.00 O ATOM 541 OE2 GLU A 34 18.887 27.817 -6.346 1.00 0.00 O ATOM 0 H GLU A 34 17.827 22.505 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 34 16.076 24.195 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.057 24.885 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.120 24.156 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.318 25.725 -8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.157 26.410 -7.616 1.00 0.00 H new ATOM 548 N ALA A 35 18.000 22.296 -9.063 1.00 0.00 N ATOM 549 CA ALA A 35 18.110 21.726 -10.401 1.00 0.00 C ATOM 550 C ALA A 35 16.825 21.003 -10.826 1.00 0.00 C ATOM 551 O ALA A 35 16.309 21.286 -11.901 1.00 0.00 O ATOM 552 CB ALA A 35 19.337 20.812 -10.455 1.00 0.00 C ATOM 0 H ALA A 35 18.638 21.880 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 35 18.243 22.533 -11.122 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.426 20.382 -11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.232 21.391 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.227 20.012 -9.723 1.00 0.00 H new ATOM 558 N MET A 36 16.247 20.151 -9.973 1.00 0.00 N ATOM 559 CA MET A 36 14.991 19.454 -10.281 1.00 0.00 C ATOM 560 C MET A 36 13.805 20.417 -10.455 1.00 0.00 C ATOM 561 O MET A 36 12.957 20.184 -11.312 1.00 0.00 O ATOM 562 CB MET A 36 14.704 18.402 -9.199 1.00 0.00 C ATOM 563 CG MET A 36 15.610 17.179 -9.350 1.00 0.00 C ATOM 564 SD MET A 36 15.147 16.108 -10.738 1.00 0.00 S ATOM 565 CE MET A 36 13.879 15.084 -9.946 1.00 0.00 C ATOM 0 H MET A 36 16.632 19.925 -9.056 1.00 0.00 H new ATOM 0 HA MET A 36 15.115 18.955 -11.242 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.849 18.844 -8.213 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.661 18.092 -9.259 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.639 17.513 -9.485 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.582 16.599 -8.428 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.389 14.466 -10.698 1.00 0.00 H new ATOM 0 HE2 MET A 36 14.344 14.444 -9.197 1.00 0.00 H new ATOM 0 HE3 MET A 36 13.140 15.726 -9.466 1.00 0.00 H new ATOM 575 N GLU A 37 13.754 21.527 -9.718 1.00 0.00 N ATOM 576 CA GLU A 37 12.773 22.594 -9.961 1.00 0.00 C ATOM 577 C GLU A 37 13.021 23.292 -11.316 1.00 0.00 C ATOM 578 O GLU A 37 12.077 23.546 -12.067 1.00 0.00 O ATOM 579 CB GLU A 37 12.810 23.585 -8.785 1.00 0.00 C ATOM 580 CG GLU A 37 11.741 24.677 -8.902 1.00 0.00 C ATOM 581 CD GLU A 37 11.708 25.554 -7.639 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.989 25.191 -6.675 1.00 0.00 O ATOM 583 OE2 GLU A 37 12.389 26.606 -7.602 1.00 0.00 O ATOM 0 H GLU A 37 14.386 21.715 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 37 11.775 22.160 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.668 23.041 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.795 24.049 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.944 25.298 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.764 24.219 -9.057 1.00 0.00 H new ATOM 590 N SER A 38 14.288 23.546 -11.667 1.00 0.00 N ATOM 591 CA SER A 38 14.681 24.169 -12.940 1.00 0.00 C ATOM 592 C SER A 38 14.447 23.272 -14.175 1.00 0.00 C ATOM 593 O SER A 38 14.146 23.781 -15.259 1.00 0.00 O ATOM 594 CB SER A 38 16.160 24.577 -12.857 1.00 0.00 C ATOM 595 OG SER A 38 16.524 25.395 -13.961 1.00 0.00 O ATOM 0 H SER A 38 15.082 23.322 -11.067 1.00 0.00 H new ATOM 0 HA SER A 38 14.040 25.039 -13.081 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.341 25.114 -11.926 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.787 23.685 -12.838 1.00 0.00 H new ATOM 0 HG SER A 38 17.469 25.644 -13.886 1.00 0.00 H new ATOM 601 N THR A 39 14.517 21.941 -14.024 1.00 0.00 N ATOM 602 CA THR A 39 14.308 20.968 -15.121 1.00 0.00 C ATOM 603 C THR A 39 12.882 20.401 -15.187 1.00 0.00 C ATOM 604 O THR A 39 12.577 19.614 -16.084 1.00 0.00 O ATOM 605 CB THR A 39 15.329 19.816 -15.063 1.00 0.00 C ATOM 606 OG1 THR A 39 15.093 19.022 -13.920 1.00 0.00 O ATOM 607 CG2 THR A 39 16.780 20.293 -15.061 1.00 0.00 C ATOM 0 H THR A 39 14.722 21.499 -13.128 1.00 0.00 H new ATOM 0 HA THR A 39 14.463 21.540 -16.036 1.00 0.00 H new ATOM 0 HB THR A 39 15.188 19.231 -15.972 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.347 18.094 -14.108 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.446 19.431 -15.019 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.978 20.860 -15.970 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.953 20.928 -14.192 1.00 0.00 H new ATOM 615 N GLY A 40 11.995 20.772 -14.250 1.00 0.00 N ATOM 616 CA GLY A 40 10.620 20.248 -14.181 1.00 0.00 C ATOM 617 C GLY A 40 10.538 18.783 -13.718 1.00 0.00 C ATOM 618 O GLY A 40 9.659 18.039 -14.155 1.00 0.00 O ATOM 0 H GLY A 40 12.211 21.446 -13.516 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.038 20.868 -13.499 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.158 20.335 -15.164 1.00 0.00 H new ATOM 622 N GLY A 41 11.482 18.355 -12.872 1.00 0.00 N ATOM 623 CA GLY A 41 11.579 16.980 -12.362 1.00 0.00 C ATOM 624 C GLY A 41 12.301 15.999 -13.291 1.00 0.00 C ATOM 625 O GLY A 41 12.276 14.796 -13.038 1.00 0.00 O ATOM 0 H GLY A 41 12.216 18.967 -12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.097 16.999 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.573 16.606 -12.173 1.00 0.00 H new ATOM 629 N ARG A 42 12.969 16.480 -14.353 1.00 0.00 N ATOM 630 CA ARG A 42 13.763 15.628 -15.264 1.00 0.00 C ATOM 631 C ARG A 42 15.092 15.269 -14.612 1.00 0.00 C ATOM 632 O ARG A 42 16.083 15.969 -14.793 1.00 0.00 O ATOM 633 CB ARG A 42 13.940 16.335 -16.628 1.00 0.00 C ATOM 634 CG ARG A 42 12.736 16.128 -17.557 1.00 0.00 C ATOM 635 CD ARG A 42 12.804 14.774 -18.285 1.00 0.00 C ATOM 636 NE ARG A 42 11.570 14.517 -19.053 1.00 0.00 N ATOM 637 CZ ARG A 42 11.215 14.986 -20.238 1.00 0.00 C ATOM 638 NH1 ARG A 42 11.972 15.788 -20.931 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.071 14.648 -20.757 1.00 0.00 N ATOM 0 H ARG A 42 12.976 17.468 -14.607 1.00 0.00 H new ATOM 0 HA ARG A 42 13.236 14.693 -15.454 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.089 17.402 -16.464 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.840 15.959 -17.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.815 16.183 -16.977 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.699 16.934 -18.290 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.662 14.762 -18.957 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.956 13.975 -17.559 1.00 0.00 H new ATOM 0 HE ARG A 42 10.898 13.891 -18.609 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.878 16.078 -20.564 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.659 16.126 -21.841 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.446 14.021 -20.250 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.799 15.010 -21.671 1.00 0.00 H new ATOM 653 N VAL A 43 15.114 14.152 -13.884 1.00 0.00 N ATOM 654 CA VAL A 43 16.287 13.708 -13.100 1.00 0.00 C ATOM 655 C VAL A 43 17.546 13.549 -13.952 1.00 0.00 C ATOM 656 O VAL A 43 18.605 14.004 -13.540 1.00 0.00 O ATOM 657 CB VAL A 43 15.935 12.463 -12.250 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.674 11.200 -13.079 1.00 0.00 C ATOM 659 CG2 VAL A 43 17.016 12.162 -11.210 1.00 0.00 C ATOM 0 H VAL A 43 14.317 13.519 -13.816 1.00 0.00 H new ATOM 0 HA VAL A 43 16.544 14.501 -12.398 1.00 0.00 H new ATOM 0 HB VAL A 43 15.003 12.727 -11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.434 10.371 -12.413 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.838 11.375 -13.756 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.564 10.954 -13.658 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.732 11.281 -10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.964 11.975 -11.714 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.123 13.015 -10.540 1.00 0.00 H new ATOM 669 N ARG A 44 17.428 13.062 -15.194 1.00 0.00 N ATOM 670 CA ARG A 44 18.567 12.957 -16.132 1.00 0.00 C ATOM 671 C ARG A 44 19.207 14.313 -16.466 1.00 0.00 C ATOM 672 O ARG A 44 20.427 14.452 -16.431 1.00 0.00 O ATOM 673 CB ARG A 44 18.169 12.136 -17.379 1.00 0.00 C ATOM 674 CG ARG A 44 17.122 12.776 -18.315 1.00 0.00 C ATOM 675 CD ARG A 44 16.800 11.820 -19.472 1.00 0.00 C ATOM 676 NE ARG A 44 15.864 12.430 -20.442 1.00 0.00 N ATOM 677 CZ ARG A 44 14.600 12.112 -20.669 1.00 0.00 C ATOM 678 NH1 ARG A 44 13.966 11.228 -19.952 1.00 0.00 N ATOM 679 NH2 ARG A 44 13.935 12.693 -21.626 1.00 0.00 N ATOM 0 H ARG A 44 16.545 12.729 -15.582 1.00 0.00 H new ATOM 0 HA ARG A 44 19.361 12.408 -15.625 1.00 0.00 H new ATOM 0 HB2 ARG A 44 19.070 11.937 -17.959 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.785 11.172 -17.045 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.214 13.004 -17.757 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.501 13.720 -18.707 1.00 0.00 H new ATOM 0 HD2 ARG A 44 17.722 11.542 -19.982 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.366 10.902 -19.076 1.00 0.00 H new ATOM 0 HE ARG A 44 16.241 13.191 -21.007 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.445 10.755 -19.185 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.991 11.009 -20.157 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.388 13.399 -22.207 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.961 12.443 -21.795 1.00 0.00 H new ATOM 693 N ILE A 45 18.376 15.340 -16.674 1.00 0.00 N ATOM 694 CA ILE A 45 18.843 16.714 -16.954 1.00 0.00 C ATOM 695 C ILE A 45 19.396 17.347 -15.670 1.00 0.00 C ATOM 696 O ILE A 45 20.413 18.031 -15.709 1.00 0.00 O ATOM 697 CB ILE A 45 17.743 17.575 -17.629 1.00 0.00 C ATOM 698 CG1 ILE A 45 17.174 16.872 -18.885 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.314 18.954 -18.022 1.00 0.00 C ATOM 700 CD1 ILE A 45 16.065 17.647 -19.616 1.00 0.00 C ATOM 0 H ILE A 45 17.360 15.249 -16.654 1.00 0.00 H new ATOM 0 HA ILE A 45 19.657 16.668 -17.678 1.00 0.00 H new ATOM 0 HB ILE A 45 16.934 17.707 -16.911 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.991 16.691 -19.583 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.783 15.898 -18.592 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.533 19.550 -18.495 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.672 19.467 -17.130 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.141 18.820 -18.720 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.731 17.075 -20.481 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.225 17.805 -18.939 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.452 18.611 -19.946 1.00 0.00 H new ATOM 712 N ALA A 46 18.787 17.072 -14.512 1.00 0.00 N ATOM 713 CA ALA A 46 19.247 17.617 -13.230 1.00 0.00 C ATOM 714 C ALA A 46 20.638 17.077 -12.850 1.00 0.00 C ATOM 715 O ALA A 46 21.532 17.859 -12.530 1.00 0.00 O ATOM 716 CB ALA A 46 18.196 17.326 -12.153 1.00 0.00 C ATOM 0 H ALA A 46 17.967 16.470 -14.436 1.00 0.00 H new ATOM 0 HA ALA A 46 19.361 18.697 -13.320 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.533 17.729 -11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.251 17.793 -12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.056 16.249 -12.063 1.00 0.00 H new ATOM 722 N ILE A 47 20.865 15.762 -12.971 1.00 0.00 N ATOM 723 CA ILE A 47 22.191 15.168 -12.719 1.00 0.00 C ATOM 724 C ILE A 47 23.206 15.588 -13.791 1.00 0.00 C ATOM 725 O ILE A 47 24.347 15.888 -13.447 1.00 0.00 O ATOM 726 CB ILE A 47 22.131 13.638 -12.487 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.808 12.826 -13.758 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.155 13.334 -11.339 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.712 11.310 -13.543 1.00 0.00 C ATOM 0 H ILE A 47 20.150 15.087 -13.242 1.00 0.00 H new ATOM 0 HA ILE A 47 22.554 15.576 -11.776 1.00 0.00 H new ATOM 0 HB ILE A 47 23.132 13.310 -12.205 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.863 13.181 -14.169 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.576 13.025 -14.505 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.111 12.257 -11.174 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.498 13.827 -10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.162 13.702 -11.598 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.482 10.822 -14.490 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.663 10.935 -13.163 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.923 11.094 -12.823 1.00 0.00 H new ATOM 741 N ALA A 48 22.789 15.727 -15.057 1.00 0.00 N ATOM 742 CA ALA A 48 23.637 16.296 -16.110 1.00 0.00 C ATOM 743 C ALA A 48 24.096 17.732 -15.784 1.00 0.00 C ATOM 744 O ALA A 48 25.287 18.024 -15.880 1.00 0.00 O ATOM 745 CB ALA A 48 22.873 16.232 -17.438 1.00 0.00 C ATOM 0 H ALA A 48 21.861 15.450 -15.377 1.00 0.00 H new ATOM 0 HA ALA A 48 24.551 15.707 -16.184 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.489 16.652 -18.233 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.636 15.194 -17.672 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.949 16.805 -17.354 1.00 0.00 H new ATOM 751 N LYS A 49 23.194 18.612 -15.321 1.00 0.00 N ATOM 752 CA LYS A 49 23.533 19.995 -14.918 1.00 0.00 C ATOM 753 C LYS A 49 24.475 20.032 -13.711 1.00 0.00 C ATOM 754 O LYS A 49 25.475 20.744 -13.741 1.00 0.00 O ATOM 755 CB LYS A 49 22.237 20.787 -14.645 1.00 0.00 C ATOM 756 CG LYS A 49 21.444 21.122 -15.920 1.00 0.00 C ATOM 757 CD LYS A 49 22.055 22.286 -16.719 1.00 0.00 C ATOM 758 CE LYS A 49 21.233 22.533 -17.995 1.00 0.00 C ATOM 759 NZ LYS A 49 21.776 23.673 -18.793 1.00 0.00 N ATOM 0 H LYS A 49 22.205 18.388 -15.214 1.00 0.00 H new ATOM 0 HA LYS A 49 24.072 20.466 -15.740 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.602 20.210 -13.973 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.488 21.713 -14.129 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.397 20.237 -16.555 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.419 21.374 -15.648 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.074 23.188 -16.108 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.088 22.057 -16.980 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.230 21.630 -18.606 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.197 22.739 -17.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.195 23.808 -19.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.755 24.540 -18.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.756 23.466 -19.072 1.00 0.00 H new ATOM 773 N LEU A 50 24.205 19.218 -12.684 1.00 0.00 N ATOM 774 CA LEU A 50 25.070 19.095 -11.497 1.00 0.00 C ATOM 775 C LEU A 50 26.484 18.592 -11.846 1.00 0.00 C ATOM 776 O LEU A 50 27.457 19.071 -11.260 1.00 0.00 O ATOM 777 CB LEU A 50 24.389 18.171 -10.463 1.00 0.00 C ATOM 778 CG LEU A 50 23.615 18.890 -9.345 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.597 19.905 -9.856 1.00 0.00 C ATOM 780 CD2 LEU A 50 22.855 17.862 -8.507 1.00 0.00 C ATOM 0 H LEU A 50 23.378 18.622 -12.649 1.00 0.00 H new ATOM 0 HA LEU A 50 25.200 20.089 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.702 17.509 -10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.152 17.541 -10.006 1.00 0.00 H new ATOM 0 HG LEU A 50 24.364 19.428 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.091 20.371 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.108 20.671 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 21.863 19.400 -10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.307 18.372 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.154 17.321 -9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.561 17.159 -8.065 1.00 0.00 H new ATOM 792 N LEU A 51 26.617 17.672 -12.806 1.00 0.00 N ATOM 793 CA LEU A 51 27.922 17.198 -13.280 1.00 0.00 C ATOM 794 C LEU A 51 28.641 18.246 -14.151 1.00 0.00 C ATOM 795 O LEU A 51 29.800 18.562 -13.880 1.00 0.00 O ATOM 796 CB LEU A 51 27.739 15.858 -14.018 1.00 0.00 C ATOM 797 CG LEU A 51 27.384 14.674 -13.095 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.968 13.469 -13.939 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.561 14.250 -12.213 1.00 0.00 C ATOM 0 H LEU A 51 25.824 17.235 -13.276 1.00 0.00 H new ATOM 0 HA LEU A 51 28.569 17.038 -12.418 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.953 15.971 -14.765 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.658 15.623 -14.555 1.00 0.00 H new ATOM 0 HG LEU A 51 26.570 15.007 -12.452 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.718 12.635 -13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.098 13.730 -14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.791 13.182 -14.594 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.260 13.414 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.397 13.947 -12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.865 15.087 -11.585 1.00 0.00 H new ATOM 811 N SER A 52 27.964 18.851 -15.135 1.00 0.00 N ATOM 812 CA SER A 52 28.559 19.854 -16.042 1.00 0.00 C ATOM 813 C SER A 52 28.963 21.168 -15.348 1.00 0.00 C ATOM 814 O SER A 52 29.839 21.877 -15.846 1.00 0.00 O ATOM 815 CB SER A 52 27.606 20.160 -17.203 1.00 0.00 C ATOM 816 OG SER A 52 27.460 19.015 -18.032 1.00 0.00 O ATOM 0 H SER A 52 26.981 18.660 -15.330 1.00 0.00 H new ATOM 0 HA SER A 52 29.479 19.402 -16.413 1.00 0.00 H new ATOM 0 HB2 SER A 52 26.634 20.463 -16.815 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.990 20.995 -17.788 1.00 0.00 H new ATOM 0 HG SER A 52 26.783 18.418 -17.650 1.00 0.00 H new ATOM 822 N LYS A 53 28.380 21.479 -14.178 1.00 0.00 N ATOM 823 CA LYS A 53 28.786 22.606 -13.315 1.00 0.00 C ATOM 824 C LYS A 53 30.200 22.434 -12.720 1.00 0.00 C ATOM 825 O LYS A 53 30.842 23.426 -12.373 1.00 0.00 O ATOM 826 CB LYS A 53 27.710 22.755 -12.216 1.00 0.00 C ATOM 827 CG LYS A 53 27.875 23.960 -11.268 1.00 0.00 C ATOM 828 CD LYS A 53 27.912 25.335 -11.955 1.00 0.00 C ATOM 829 CE LYS A 53 26.596 25.672 -12.673 1.00 0.00 C ATOM 830 NZ LYS A 53 26.626 27.044 -13.257 1.00 0.00 N ATOM 0 H LYS A 53 27.599 20.946 -13.797 1.00 0.00 H new ATOM 0 HA LYS A 53 28.851 23.515 -13.913 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.735 22.828 -12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.703 21.845 -11.617 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.054 23.952 -10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.796 23.831 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.123 26.103 -11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.730 25.355 -12.675 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.415 24.943 -13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.767 25.593 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.722 27.238 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.774 27.741 -12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.402 27.111 -13.946 1.00 0.00 H new ATOM 844 N GLN A 54 30.688 21.196 -12.610 1.00 0.00 N ATOM 845 CA GLN A 54 31.984 20.832 -12.015 1.00 0.00 C ATOM 846 C GLN A 54 33.060 20.538 -13.081 1.00 0.00 C ATOM 847 O GLN A 54 32.758 20.263 -14.245 1.00 0.00 O ATOM 848 CB GLN A 54 31.775 19.640 -11.060 1.00 0.00 C ATOM 849 CG GLN A 54 30.942 20.031 -9.827 1.00 0.00 C ATOM 850 CD GLN A 54 30.527 18.808 -9.015 1.00 0.00 C ATOM 851 OE1 GLN A 54 31.247 18.323 -8.152 1.00 0.00 O ATOM 852 NE2 GLN A 54 29.363 18.260 -9.277 1.00 0.00 N ATOM 0 H GLN A 54 30.172 20.383 -12.946 1.00 0.00 H new ATOM 0 HA GLN A 54 32.363 21.683 -11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.276 18.831 -11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.744 19.259 -10.737 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.520 20.707 -9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.053 20.575 -10.146 1.00 0.00 H new ATOM 0 HE21 GLN A 54 28.760 18.661 -9.995 1.00 0.00 H new ATOM 0 HE22 GLN A 54 29.061 17.433 -8.762 1.00 0.00 H new ATOM 861 N THR A 55 34.336 20.599 -12.680 1.00 0.00 N ATOM 862 CA THR A 55 35.501 20.398 -13.574 1.00 0.00 C ATOM 863 C THR A 55 35.895 18.928 -13.763 1.00 0.00 C ATOM 864 O THR A 55 36.557 18.595 -14.751 1.00 0.00 O ATOM 865 CB THR A 55 36.724 21.171 -13.054 1.00 0.00 C ATOM 866 OG1 THR A 55 37.022 20.763 -11.731 1.00 0.00 O ATOM 867 CG2 THR A 55 36.490 22.683 -13.051 1.00 0.00 C ATOM 0 H THR A 55 34.600 20.792 -11.714 1.00 0.00 H new ATOM 0 HA THR A 55 35.185 20.778 -14.545 1.00 0.00 H new ATOM 0 HB THR A 55 37.553 20.949 -13.726 1.00 0.00 H new ATOM 0 HG1 THR A 55 37.803 21.257 -11.404 1.00 0.00 H new ATOM 0 HG21 THR A 55 37.380 23.188 -12.676 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.281 23.021 -14.066 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.641 22.919 -12.409 1.00 0.00 H new ATOM 875 N SER A 56 35.500 18.044 -12.835 1.00 0.00 N ATOM 876 CA SER A 56 35.826 16.600 -12.820 1.00 0.00 C ATOM 877 C SER A 56 37.337 16.290 -12.909 1.00 0.00 C ATOM 878 O SER A 56 37.743 15.276 -13.489 1.00 0.00 O ATOM 879 CB SER A 56 34.992 15.833 -13.860 1.00 0.00 C ATOM 880 OG SER A 56 33.601 16.035 -13.638 1.00 0.00 O ATOM 0 H SER A 56 34.922 18.320 -12.041 1.00 0.00 H new ATOM 0 HA SER A 56 35.540 16.234 -11.834 1.00 0.00 H new ATOM 0 HB2 SER A 56 35.257 16.166 -14.863 1.00 0.00 H new ATOM 0 HB3 SER A 56 35.223 14.769 -13.806 1.00 0.00 H new ATOM 0 HG SER A 56 33.087 15.541 -14.310 1.00 0.00 H new ATOM 886 N GLY A 57 38.181 17.170 -12.352 1.00 0.00 N ATOM 887 CA GLY A 57 39.643 17.029 -12.347 1.00 0.00 C ATOM 888 C GLY A 57 40.163 15.891 -11.454 1.00 0.00 C ATOM 889 O GLY A 57 39.487 15.446 -10.519 1.00 0.00 O ATOM 0 H GLY A 57 37.859 18.017 -11.883 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.984 16.859 -13.368 1.00 0.00 H new ATOM 0 HA3 GLY A 57 40.086 17.968 -12.015 1.00 0.00 H new ATOM 893 N GLY A 58 41.384 15.425 -11.741 1.00 0.00 N ATOM 894 CA GLY A 58 42.075 14.375 -10.979 1.00 0.00 C ATOM 895 C GLY A 58 42.649 14.841 -9.627 1.00 0.00 C ATOM 896 O GLY A 58 42.667 16.037 -9.316 1.00 0.00 O ATOM 0 H GLY A 58 41.932 15.774 -12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 58 41.379 13.555 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 58 42.888 13.977 -11.587 1.00 0.00 H new ATOM 900 N SER A 59 43.153 13.880 -8.845 1.00 0.00 N ATOM 901 CA SER A 59 43.736 14.083 -7.503 1.00 0.00 C ATOM 902 C SER A 59 45.090 13.372 -7.350 1.00 0.00 C ATOM 903 O SER A 59 45.317 12.311 -7.941 1.00 0.00 O ATOM 904 CB SER A 59 42.772 13.581 -6.416 1.00 0.00 C ATOM 905 OG SER A 59 41.553 14.312 -6.432 1.00 0.00 O ATOM 0 H SER A 59 43.169 12.902 -9.135 1.00 0.00 H new ATOM 0 HA SER A 59 43.899 15.154 -7.385 1.00 0.00 H new ATOM 0 HB2 SER A 59 42.566 12.522 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 59 43.243 13.675 -5.437 1.00 0.00 H new ATOM 0 HG SER A 59 40.958 13.971 -5.732 1.00 0.00 H new ATOM 911 N GLY A 60 45.985 13.940 -6.535 1.00 0.00 N ATOM 912 CA GLY A 60 47.313 13.374 -6.254 1.00 0.00 C ATOM 913 C GLY A 60 47.251 12.020 -5.533 1.00 0.00 C ATOM 914 O GLY A 60 46.381 11.789 -4.688 1.00 0.00 O ATOM 0 H GLY A 60 45.807 14.817 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 60 47.856 13.255 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 60 47.880 14.078 -5.644 1.00 0.00 H new ATOM 918 N GLY A 61 48.167 11.111 -5.881 1.00 0.00 N ATOM 919 CA GLY A 61 48.252 9.754 -5.314 1.00 0.00 C ATOM 920 C GLY A 61 47.195 8.754 -5.818 1.00 0.00 C ATOM 921 O GLY A 61 47.166 7.615 -5.346 1.00 0.00 O ATOM 0 H GLY A 61 48.887 11.298 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 61 49.241 9.350 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 61 48.169 9.827 -4.230 1.00 0.00 H new ATOM 925 N SER A 62 46.339 9.147 -6.769 1.00 0.00 N ATOM 926 CA SER A 62 45.319 8.275 -7.377 1.00 0.00 C ATOM 927 C SER A 62 45.924 7.266 -8.370 1.00 0.00 C ATOM 928 O SER A 62 46.979 7.513 -8.967 1.00 0.00 O ATOM 929 CB SER A 62 44.240 9.130 -8.051 1.00 0.00 C ATOM 930 OG SER A 62 43.133 8.319 -8.411 1.00 0.00 O ATOM 0 H SER A 62 46.333 10.095 -7.146 1.00 0.00 H new ATOM 0 HA SER A 62 44.866 7.688 -6.578 1.00 0.00 H new ATOM 0 HB2 SER A 62 43.917 9.922 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 62 44.649 9.615 -8.937 1.00 0.00 H new ATOM 0 HG SER A 62 42.447 8.873 -8.839 1.00 0.00 H new ATOM 936 N LYS A 63 45.252 6.121 -8.565 1.00 0.00 N ATOM 937 CA LYS A 63 45.672 5.048 -9.484 1.00 0.00 C ATOM 938 C LYS A 63 45.490 5.502 -10.939 1.00 0.00 C ATOM 939 O LYS A 63 44.365 5.710 -11.397 1.00 0.00 O ATOM 940 CB LYS A 63 44.891 3.763 -9.132 1.00 0.00 C ATOM 941 CG LYS A 63 45.406 2.458 -9.771 1.00 0.00 C ATOM 942 CD LYS A 63 45.122 2.311 -11.274 1.00 0.00 C ATOM 943 CE LYS A 63 45.367 0.867 -11.737 1.00 0.00 C ATOM 944 NZ LYS A 63 45.116 0.717 -13.198 1.00 0.00 N ATOM 0 H LYS A 63 44.381 5.909 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 63 46.733 4.824 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 63 44.901 3.642 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 63 43.851 3.902 -9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.483 2.395 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.957 1.614 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 63 44.091 2.595 -11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.760 2.992 -11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 63 46.394 0.580 -11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 63 44.717 0.190 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 45.157 -0.290 -13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 44.175 1.096 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 45.840 1.240 -13.730 1.00 0.00 H new ATOM 958 N LEU A 64 46.603 5.626 -11.667 1.00 0.00 N ATOM 959 CA LEU A 64 46.671 6.017 -13.085 1.00 0.00 C ATOM 960 C LEU A 64 47.615 5.082 -13.865 1.00 0.00 C ATOM 961 O LEU A 64 48.635 4.635 -13.334 1.00 0.00 O ATOM 962 CB LEU A 64 47.135 7.486 -13.196 1.00 0.00 C ATOM 963 CG LEU A 64 46.168 8.538 -12.614 1.00 0.00 C ATOM 964 CD1 LEU A 64 46.832 9.916 -12.637 1.00 0.00 C ATOM 965 CD2 LEU A 64 44.865 8.632 -13.409 1.00 0.00 C ATOM 0 H LEU A 64 47.526 5.449 -11.269 1.00 0.00 H new ATOM 0 HA LEU A 64 45.678 5.927 -13.526 1.00 0.00 H new ATOM 0 HB2 LEU A 64 48.096 7.584 -12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 64 47.303 7.716 -14.248 1.00 0.00 H new ATOM 0 HG LEU A 64 45.935 8.225 -11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 64 46.147 10.657 -12.225 1.00 0.00 H new ATOM 0 HD12 LEU A 64 47.742 9.891 -12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 64 47.081 10.183 -13.664 1.00 0.00 H new ATOM 0 HD21 LEU A 64 44.218 9.386 -12.960 1.00 0.00 H new ATOM 0 HD22 LEU A 64 45.087 8.911 -14.439 1.00 0.00 H new ATOM 0 HD23 LEU A 64 44.360 7.666 -13.396 1.00 0.00 H new ATOM 977 N GLY A 65 47.279 4.801 -15.128 1.00 0.00 N ATOM 978 CA GLY A 65 48.024 3.868 -15.989 1.00 0.00 C ATOM 979 C GLY A 65 47.985 2.408 -15.508 1.00 0.00 C ATOM 980 O GLY A 65 47.112 2.016 -14.726 1.00 0.00 O ATOM 0 H GLY A 65 46.472 5.219 -15.590 1.00 0.00 H new ATOM 0 HA2 GLY A 65 47.618 3.918 -16.999 1.00 0.00 H new ATOM 0 HA3 GLY A 65 49.063 4.193 -16.047 1.00 0.00 H new ATOM 984 N GLY A 66 48.929 1.589 -15.981 1.00 0.00 N ATOM 985 CA GLY A 66 49.147 0.209 -15.515 1.00 0.00 C ATOM 986 C GLY A 66 48.094 -0.828 -15.949 1.00 0.00 C ATOM 987 O GLY A 66 48.090 -1.939 -15.413 1.00 0.00 O ATOM 0 H GLY A 66 49.579 1.870 -16.715 1.00 0.00 H new ATOM 0 HA2 GLY A 66 50.122 -0.123 -15.871 1.00 0.00 H new ATOM 0 HA3 GLY A 66 49.191 0.218 -14.426 1.00 0.00 H new ATOM 991 N SER A 67 47.218 -0.477 -16.902 1.00 0.00 N ATOM 992 CA SER A 67 46.075 -1.277 -17.396 1.00 0.00 C ATOM 993 C SER A 67 45.010 -1.626 -16.333 1.00 0.00 C ATOM 994 O SER A 67 45.187 -1.401 -15.131 1.00 0.00 O ATOM 995 CB SER A 67 46.560 -2.524 -18.158 1.00 0.00 C ATOM 996 OG SER A 67 47.421 -2.156 -19.230 1.00 0.00 O ATOM 0 H SER A 67 47.287 0.422 -17.379 1.00 0.00 H new ATOM 0 HA SER A 67 45.550 -0.623 -18.092 1.00 0.00 H new ATOM 0 HB2 SER A 67 47.086 -3.192 -17.475 1.00 0.00 H new ATOM 0 HB3 SER A 67 45.703 -3.075 -18.546 1.00 0.00 H new ATOM 0 HG SER A 67 47.720 -2.962 -19.701 1.00 0.00 H new ATOM 1002 N GLY A 68 43.860 -2.146 -16.780 1.00 0.00 N ATOM 1003 CA GLY A 68 42.744 -2.568 -15.921 1.00 0.00 C ATOM 1004 C GLY A 68 41.434 -2.830 -16.681 1.00 0.00 C ATOM 1005 O GLY A 68 41.310 -2.498 -17.866 1.00 0.00 O ATOM 0 H GLY A 68 43.674 -2.289 -17.773 1.00 0.00 H new ATOM 0 HA2 GLY A 68 43.031 -3.475 -15.389 1.00 0.00 H new ATOM 0 HA3 GLY A 68 42.568 -1.800 -15.168 1.00 0.00 H new ATOM 1009 N GLY A 69 40.453 -3.420 -15.992 1.00 0.00 N ATOM 1010 CA GLY A 69 39.126 -3.743 -16.534 1.00 0.00 C ATOM 1011 C GLY A 69 39.106 -4.897 -17.553 1.00 0.00 C ATOM 1012 O GLY A 69 40.106 -5.587 -17.776 1.00 0.00 O ATOM 0 H GLY A 69 40.561 -3.694 -15.016 1.00 0.00 H new ATOM 0 HA2 GLY A 69 38.463 -3.997 -15.707 1.00 0.00 H new ATOM 0 HA3 GLY A 69 38.716 -2.851 -17.009 1.00 0.00 H new ATOM 1016 N SER A 70 37.938 -5.114 -18.165 1.00 0.00 N ATOM 1017 CA SER A 70 37.704 -6.159 -19.178 1.00 0.00 C ATOM 1018 C SER A 70 38.326 -5.819 -20.544 1.00 0.00 C ATOM 1019 O SER A 70 38.473 -4.646 -20.902 1.00 0.00 O ATOM 1020 CB SER A 70 36.198 -6.418 -19.337 1.00 0.00 C ATOM 1021 OG SER A 70 35.632 -6.825 -18.096 1.00 0.00 O ATOM 0 H SER A 70 37.106 -4.557 -17.968 1.00 0.00 H new ATOM 0 HA SER A 70 38.199 -7.061 -18.818 1.00 0.00 H new ATOM 0 HB2 SER A 70 35.702 -5.514 -19.691 1.00 0.00 H new ATOM 0 HB3 SER A 70 36.032 -7.189 -20.090 1.00 0.00 H new ATOM 0 HG SER A 70 34.672 -6.985 -18.211 1.00 0.00 H new ATOM 1027 N ARG A 71 38.658 -6.849 -21.340 1.00 0.00 N ATOM 1028 CA ARG A 71 39.299 -6.706 -22.668 1.00 0.00 C ATOM 1029 C ARG A 71 38.372 -6.123 -23.749 1.00 0.00 C ATOM 1030 O ARG A 71 38.865 -5.543 -24.720 1.00 0.00 O ATOM 1031 CB ARG A 71 39.893 -8.075 -23.073 1.00 0.00 C ATOM 1032 CG ARG A 71 40.593 -8.126 -24.445 1.00 0.00 C ATOM 1033 CD ARG A 71 41.742 -7.118 -24.592 1.00 0.00 C ATOM 1034 NE ARG A 71 42.268 -7.096 -25.970 1.00 0.00 N ATOM 1035 CZ ARG A 71 41.806 -6.401 -26.997 1.00 0.00 C ATOM 1036 NH1 ARG A 71 40.737 -5.655 -26.920 1.00 0.00 N ATOM 1037 NH2 ARG A 71 42.423 -6.447 -28.144 1.00 0.00 N ATOM 0 H ARG A 71 38.488 -7.821 -21.080 1.00 0.00 H new ATOM 0 HA ARG A 71 40.096 -5.967 -22.585 1.00 0.00 H new ATOM 0 HB2 ARG A 71 40.610 -8.378 -22.310 1.00 0.00 H new ATOM 0 HB3 ARG A 71 39.091 -8.813 -23.068 1.00 0.00 H new ATOM 0 HG2 ARG A 71 40.981 -9.132 -24.607 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.856 -7.939 -25.226 1.00 0.00 H new ATOM 0 HD2 ARG A 71 41.391 -6.123 -24.319 1.00 0.00 H new ATOM 0 HD3 ARG A 71 42.544 -7.375 -23.899 1.00 0.00 H new ATOM 0 HE ARG A 71 43.081 -7.684 -26.152 1.00 0.00 H new ATOM 0 HH11 ARG A 71 40.222 -5.591 -26.042 1.00 0.00 H new ATOM 0 HH12 ARG A 71 40.417 -5.136 -27.738 1.00 0.00 H new ATOM 0 HH21 ARG A 71 43.261 -7.018 -28.250 1.00 0.00 H new ATOM 0 HH22 ARG A 71 42.068 -5.912 -28.936 1.00 0.00 H new ATOM 1051 N LYS A 72 37.053 -6.270 -23.586 1.00 0.00 N ATOM 1052 CA LYS A 72 35.993 -5.740 -24.469 1.00 0.00 C ATOM 1053 C LYS A 72 34.919 -4.994 -23.665 1.00 0.00 C ATOM 1054 O LYS A 72 34.723 -5.258 -22.477 1.00 0.00 O ATOM 1055 CB LYS A 72 35.369 -6.885 -25.293 1.00 0.00 C ATOM 1056 CG LYS A 72 36.367 -7.538 -26.262 1.00 0.00 C ATOM 1057 CD LYS A 72 35.678 -8.605 -27.126 1.00 0.00 C ATOM 1058 CE LYS A 72 36.686 -9.247 -28.091 1.00 0.00 C ATOM 1059 NZ LYS A 72 36.047 -10.288 -28.943 1.00 0.00 N ATOM 0 H LYS A 72 36.670 -6.788 -22.795 1.00 0.00 H new ATOM 0 HA LYS A 72 36.445 -5.022 -25.154 1.00 0.00 H new ATOM 0 HB2 LYS A 72 34.980 -7.644 -24.614 1.00 0.00 H new ATOM 0 HB3 LYS A 72 34.521 -6.498 -25.859 1.00 0.00 H new ATOM 0 HG2 LYS A 72 36.809 -6.775 -26.903 1.00 0.00 H new ATOM 0 HG3 LYS A 72 37.182 -7.992 -25.699 1.00 0.00 H new ATOM 0 HD2 LYS A 72 35.238 -9.371 -26.487 1.00 0.00 H new ATOM 0 HD3 LYS A 72 34.862 -8.154 -27.690 1.00 0.00 H new ATOM 0 HE2 LYS A 72 37.124 -8.476 -28.725 1.00 0.00 H new ATOM 0 HE3 LYS A 72 37.502 -9.693 -27.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 36.758 -10.699 -29.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 35.651 -11.036 -28.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 35.285 -9.857 -29.505 1.00 0.00 H new ATOM 1073 N ASP A 73 34.215 -4.074 -24.323 1.00 0.00 N ATOM 1074 CA ASP A 73 33.108 -3.309 -23.734 1.00 0.00 C ATOM 1075 C ASP A 73 31.847 -4.176 -23.530 1.00 0.00 C ATOM 1076 O ASP A 73 31.519 -5.016 -24.374 1.00 0.00 O ATOM 1077 CB ASP A 73 32.814 -2.090 -24.619 1.00 0.00 C ATOM 1078 CG ASP A 73 31.716 -1.197 -24.020 1.00 0.00 C ATOM 1079 OD1 ASP A 73 31.941 -0.612 -22.934 1.00 0.00 O ATOM 1080 OD2 ASP A 73 30.628 -1.079 -24.634 1.00 0.00 O ATOM 0 H ASP A 73 34.398 -3.833 -25.297 1.00 0.00 H new ATOM 0 HA ASP A 73 33.407 -2.971 -22.742 1.00 0.00 H new ATOM 0 HB2 ASP A 73 33.726 -1.507 -24.748 1.00 0.00 H new ATOM 0 HB3 ASP A 73 32.508 -2.426 -25.610 1.00 0.00 H new ATOM 1085 N LEU A 74 31.135 -3.962 -22.415 1.00 0.00 N ATOM 1086 CA LEU A 74 29.926 -4.699 -22.016 1.00 0.00 C ATOM 1087 C LEU A 74 28.827 -3.758 -21.480 1.00 0.00 C ATOM 1088 O LEU A 74 29.114 -2.704 -20.907 1.00 0.00 O ATOM 1089 CB LEU A 74 30.288 -5.756 -20.951 1.00 0.00 C ATOM 1090 CG LEU A 74 31.192 -6.910 -21.431 1.00 0.00 C ATOM 1091 CD1 LEU A 74 31.587 -7.778 -20.236 1.00 0.00 C ATOM 1092 CD2 LEU A 74 30.492 -7.814 -22.450 1.00 0.00 C ATOM 0 H LEU A 74 31.395 -3.243 -21.740 1.00 0.00 H new ATOM 0 HA LEU A 74 29.528 -5.192 -22.903 1.00 0.00 H new ATOM 0 HB2 LEU A 74 30.783 -5.253 -20.121 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.364 -6.182 -20.560 1.00 0.00 H new ATOM 0 HG LEU A 74 32.062 -6.456 -21.905 1.00 0.00 H new ATOM 0 HD11 LEU A 74 32.226 -8.594 -20.574 1.00 0.00 H new ATOM 0 HD12 LEU A 74 32.127 -7.172 -19.509 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.690 -8.188 -19.772 1.00 0.00 H new ATOM 0 HD21 LEU A 74 31.170 -8.610 -22.756 1.00 0.00 H new ATOM 0 HD22 LEU A 74 29.601 -8.250 -21.998 1.00 0.00 H new ATOM 0 HD23 LEU A 74 30.206 -7.226 -23.322 1.00 0.00 H new ATOM 1104 N SER A 75 27.563 -4.163 -21.641 1.00 0.00 N ATOM 1105 CA SER A 75 26.378 -3.396 -21.216 1.00 0.00 C ATOM 1106 C SER A 75 26.228 -3.303 -19.687 1.00 0.00 C ATOM 1107 O SER A 75 26.628 -4.212 -18.954 1.00 0.00 O ATOM 1108 CB SER A 75 25.101 -4.002 -21.815 1.00 0.00 C ATOM 1109 OG SER A 75 25.193 -4.069 -23.233 1.00 0.00 O ATOM 0 H SER A 75 27.326 -5.053 -22.080 1.00 0.00 H new ATOM 0 HA SER A 75 26.527 -2.383 -21.589 1.00 0.00 H new ATOM 0 HB2 SER A 75 24.941 -5.001 -21.408 1.00 0.00 H new ATOM 0 HB3 SER A 75 24.238 -3.400 -21.530 1.00 0.00 H new ATOM 0 HG SER A 75 24.371 -4.459 -23.596 1.00 0.00 H new ATOM 1115 N VAL A 76 25.608 -2.216 -19.212 1.00 0.00 N ATOM 1116 CA VAL A 76 25.324 -1.933 -17.786 1.00 0.00 C ATOM 1117 C VAL A 76 23.884 -1.435 -17.572 1.00 0.00 C ATOM 1118 O VAL A 76 23.215 -1.010 -18.520 1.00 0.00 O ATOM 1119 CB VAL A 76 26.340 -0.936 -17.181 1.00 0.00 C ATOM 1120 CG1 VAL A 76 27.754 -1.523 -17.139 1.00 0.00 C ATOM 1121 CG2 VAL A 76 26.384 0.410 -17.917 1.00 0.00 C ATOM 0 H VAL A 76 25.274 -1.476 -19.829 1.00 0.00 H new ATOM 0 HA VAL A 76 25.430 -2.881 -17.259 1.00 0.00 H new ATOM 0 HB VAL A 76 25.985 -0.755 -16.166 1.00 0.00 H new ATOM 0 HG11 VAL A 76 28.439 -0.793 -16.708 1.00 0.00 H new ATOM 0 HG12 VAL A 76 27.755 -2.426 -16.529 1.00 0.00 H new ATOM 0 HG13 VAL A 76 28.076 -1.769 -18.151 1.00 0.00 H new ATOM 0 HG21 VAL A 76 27.117 1.061 -17.441 1.00 0.00 H new ATOM 0 HG22 VAL A 76 26.665 0.247 -18.957 1.00 0.00 H new ATOM 0 HG23 VAL A 76 25.401 0.879 -17.876 1.00 0.00 H new ATOM 1131 N LYS A 77 23.410 -1.482 -16.318 1.00 0.00 N ATOM 1132 CA LYS A 77 22.056 -1.064 -15.896 1.00 0.00 C ATOM 1133 C LYS A 77 22.046 -0.329 -14.545 1.00 0.00 C ATOM 1134 O LYS A 77 22.999 -0.430 -13.767 1.00 0.00 O ATOM 1135 CB LYS A 77 21.107 -2.283 -15.903 1.00 0.00 C ATOM 1136 CG LYS A 77 21.487 -3.379 -14.892 1.00 0.00 C ATOM 1137 CD LYS A 77 20.499 -4.553 -14.962 1.00 0.00 C ATOM 1138 CE LYS A 77 20.896 -5.641 -13.955 1.00 0.00 C ATOM 1139 NZ LYS A 77 19.962 -6.801 -13.999 1.00 0.00 N ATOM 0 H LYS A 77 23.975 -1.823 -15.540 1.00 0.00 H new ATOM 0 HA LYS A 77 21.693 -0.334 -16.619 1.00 0.00 H new ATOM 0 HB2 LYS A 77 20.094 -1.943 -15.690 1.00 0.00 H new ATOM 0 HB3 LYS A 77 21.095 -2.715 -16.904 1.00 0.00 H new ATOM 0 HG2 LYS A 77 22.497 -3.735 -15.097 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.494 -2.964 -13.884 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.489 -4.201 -14.749 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.486 -4.967 -15.970 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.909 -5.982 -14.168 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.906 -5.220 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.262 -7.515 -13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.999 -6.480 -13.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.971 -7.218 -14.952 1.00 0.00 H new ATOM 1153 N GLY A 78 20.966 0.409 -14.274 1.00 0.00 N ATOM 1154 CA GLY A 78 20.745 1.140 -13.016 1.00 0.00 C ATOM 1155 C GLY A 78 20.408 0.240 -11.816 1.00 0.00 C ATOM 1156 O GLY A 78 20.145 -0.957 -11.962 1.00 0.00 O ATOM 0 H GLY A 78 20.200 0.520 -14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.639 1.718 -12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.933 1.853 -13.161 1.00 0.00 H new ATOM 1160 N MET A 79 20.389 0.833 -10.616 1.00 0.00 N ATOM 1161 CA MET A 79 20.167 0.130 -9.339 1.00 0.00 C ATOM 1162 C MET A 79 18.691 -0.202 -9.025 1.00 0.00 C ATOM 1163 O MET A 79 18.425 -0.958 -8.087 1.00 0.00 O ATOM 1164 CB MET A 79 20.845 0.896 -8.186 1.00 0.00 C ATOM 1165 CG MET A 79 20.186 2.228 -7.789 1.00 0.00 C ATOM 1166 SD MET A 79 20.296 3.573 -9.009 1.00 0.00 S ATOM 1167 CE MET A 79 19.577 4.925 -8.035 1.00 0.00 C ATOM 0 H MET A 79 20.530 1.836 -10.499 1.00 0.00 H new ATOM 0 HA MET A 79 20.637 -0.847 -9.449 1.00 0.00 H new ATOM 0 HB2 MET A 79 20.869 0.249 -7.309 1.00 0.00 H new ATOM 0 HB3 MET A 79 21.880 1.093 -8.465 1.00 0.00 H new ATOM 0 HG2 MET A 79 19.133 2.040 -7.580 1.00 0.00 H new ATOM 0 HG3 MET A 79 20.639 2.571 -6.859 1.00 0.00 H new ATOM 0 HE1 MET A 79 19.400 5.785 -8.681 1.00 0.00 H new ATOM 0 HE2 MET A 79 18.633 4.598 -7.600 1.00 0.00 H new ATOM 0 HE3 MET A 79 20.266 5.205 -7.238 1.00 0.00 H new ATOM 1177 N LEU A 80 17.741 0.332 -9.804 1.00 0.00 N ATOM 1178 CA LEU A 80 16.300 0.051 -9.713 1.00 0.00 C ATOM 1179 C LEU A 80 15.637 -0.064 -11.100 1.00 0.00 C ATOM 1180 O LEU A 80 16.114 0.522 -12.076 1.00 0.00 O ATOM 1181 CB LEU A 80 15.599 1.078 -8.792 1.00 0.00 C ATOM 1182 CG LEU A 80 15.283 2.473 -9.375 1.00 0.00 C ATOM 1183 CD1 LEU A 80 14.570 3.309 -8.311 1.00 0.00 C ATOM 1184 CD2 LEU A 80 16.519 3.257 -9.819 1.00 0.00 C ATOM 0 H LEU A 80 17.963 0.998 -10.544 1.00 0.00 H new ATOM 0 HA LEU A 80 16.179 -0.929 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 80 14.662 0.637 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.224 1.218 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 80 14.667 2.297 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 80 14.343 4.296 -8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.643 2.814 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 80 15.215 3.414 -7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.213 4.225 -10.216 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.180 3.408 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.046 2.698 -10.592 1.00 0.00 H new ATOM 1196 N TYR A 81 14.537 -0.820 -11.185 1.00 0.00 N ATOM 1197 CA TYR A 81 13.868 -1.136 -12.458 1.00 0.00 C ATOM 1198 C TYR A 81 13.054 0.042 -13.035 1.00 0.00 C ATOM 1199 O TYR A 81 13.012 0.230 -14.254 1.00 0.00 O ATOM 1200 CB TYR A 81 12.979 -2.374 -12.249 1.00 0.00 C ATOM 1201 CG TYR A 81 12.288 -2.867 -13.508 1.00 0.00 C ATOM 1202 CD1 TYR A 81 13.012 -3.602 -14.466 1.00 0.00 C ATOM 1203 CD2 TYR A 81 10.925 -2.581 -13.725 1.00 0.00 C ATOM 1204 CE1 TYR A 81 12.378 -4.052 -15.642 1.00 0.00 C ATOM 1205 CE2 TYR A 81 10.287 -3.029 -14.899 1.00 0.00 C ATOM 1206 CZ TYR A 81 11.010 -3.767 -15.860 1.00 0.00 C ATOM 1207 OH TYR A 81 10.384 -4.198 -16.992 1.00 0.00 O ATOM 0 H TYR A 81 14.082 -1.233 -10.371 1.00 0.00 H new ATOM 0 HA TYR A 81 14.639 -1.341 -13.201 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.590 -3.181 -11.844 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.222 -2.141 -11.501 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.056 -3.822 -14.299 1.00 0.00 H new ATOM 0 HD2 TYR A 81 10.369 -2.018 -12.990 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.937 -4.614 -16.376 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.243 -2.807 -15.063 1.00 0.00 H new ATOM 0 HH TYR A 81 9.446 -3.914 -16.976 1.00 0.00 H new ATOM 1217 N ASP A 82 12.426 0.847 -12.170 1.00 0.00 N ATOM 1218 CA ASP A 82 11.537 1.955 -12.553 1.00 0.00 C ATOM 1219 C ASP A 82 11.646 3.156 -11.588 1.00 0.00 C ATOM 1220 O ASP A 82 11.838 2.980 -10.382 1.00 0.00 O ATOM 1221 CB ASP A 82 10.095 1.430 -12.618 1.00 0.00 C ATOM 1222 CG ASP A 82 9.111 2.507 -13.105 1.00 0.00 C ATOM 1223 OD1 ASP A 82 9.249 2.968 -14.264 1.00 0.00 O ATOM 1224 OD2 ASP A 82 8.195 2.888 -12.340 1.00 0.00 O ATOM 0 H ASP A 82 12.523 0.745 -11.160 1.00 0.00 H new ATOM 0 HA ASP A 82 11.844 2.324 -13.532 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.052 0.571 -13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.791 1.081 -11.631 1.00 0.00 H new ATOM 1229 N SER A 83 11.508 4.373 -12.123 1.00 0.00 N ATOM 1230 CA SER A 83 11.546 5.645 -11.384 1.00 0.00 C ATOM 1231 C SER A 83 10.600 6.683 -12.018 1.00 0.00 C ATOM 1232 O SER A 83 10.255 6.575 -13.198 1.00 0.00 O ATOM 1233 CB SER A 83 12.983 6.176 -11.347 1.00 0.00 C ATOM 1234 OG SER A 83 13.080 7.280 -10.461 1.00 0.00 O ATOM 0 H SER A 83 11.361 4.508 -13.123 1.00 0.00 H new ATOM 0 HA SER A 83 11.204 5.466 -10.364 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.662 5.385 -11.028 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.292 6.477 -12.348 1.00 0.00 H new ATOM 0 HG SER A 83 14.004 7.607 -10.446 1.00 0.00 H new ATOM 1240 N ASP A 84 10.175 7.690 -11.248 1.00 0.00 N ATOM 1241 CA ASP A 84 9.145 8.663 -11.640 1.00 0.00 C ATOM 1242 C ASP A 84 9.522 10.107 -11.262 1.00 0.00 C ATOM 1243 O ASP A 84 9.814 10.413 -10.103 1.00 0.00 O ATOM 1244 CB ASP A 84 7.811 8.242 -11.016 1.00 0.00 C ATOM 1245 CG ASP A 84 6.704 9.249 -11.347 1.00 0.00 C ATOM 1246 OD1 ASP A 84 6.537 10.217 -10.569 1.00 0.00 O ATOM 1247 OD2 ASP A 84 6.013 9.075 -12.378 1.00 0.00 O ATOM 0 H ASP A 84 10.545 7.857 -10.312 1.00 0.00 H new ATOM 0 HA ASP A 84 9.057 8.662 -12.726 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.530 7.255 -11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.921 8.161 -9.935 1.00 0.00 H new ATOM 1252 N SER A 85 9.489 11.010 -12.247 1.00 0.00 N ATOM 1253 CA SER A 85 9.951 12.403 -12.146 1.00 0.00 C ATOM 1254 C SER A 85 9.282 13.191 -11.013 1.00 0.00 C ATOM 1255 O SER A 85 9.972 13.777 -10.171 1.00 0.00 O ATOM 1256 CB SER A 85 9.714 13.115 -13.488 1.00 0.00 C ATOM 1257 OG SER A 85 8.391 12.885 -13.960 1.00 0.00 O ATOM 0 H SER A 85 9.126 10.785 -13.173 1.00 0.00 H new ATOM 0 HA SER A 85 11.014 12.368 -11.908 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.881 14.186 -13.370 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.434 12.759 -14.225 1.00 0.00 H new ATOM 0 HG SER A 85 8.263 13.349 -14.814 1.00 0.00 H new ATOM 1263 N GLN A 86 7.946 13.179 -10.947 1.00 0.00 N ATOM 1264 CA GLN A 86 7.207 13.894 -9.906 1.00 0.00 C ATOM 1265 C GLN A 86 7.328 13.224 -8.528 1.00 0.00 C ATOM 1266 O GLN A 86 7.355 13.933 -7.527 1.00 0.00 O ATOM 1267 CB GLN A 86 5.779 14.259 -10.356 1.00 0.00 C ATOM 1268 CG GLN A 86 4.793 13.117 -10.638 1.00 0.00 C ATOM 1269 CD GLN A 86 4.177 12.513 -9.375 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.410 13.145 -8.657 1.00 0.00 O ATOM 1271 NE2 GLN A 86 4.474 11.272 -9.062 1.00 0.00 N ATOM 0 H GLN A 86 7.353 12.678 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 86 7.689 14.860 -9.756 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.340 14.895 -9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.859 14.861 -11.261 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.994 13.488 -11.280 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.308 12.332 -11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.111 10.736 -9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.068 10.845 -8.230 1.00 0.00 H new ATOM 1280 N GLN A 87 7.500 11.900 -8.444 1.00 0.00 N ATOM 1281 CA GLN A 87 7.759 11.204 -7.175 1.00 0.00 C ATOM 1282 C GLN A 87 9.121 11.593 -6.578 1.00 0.00 C ATOM 1283 O GLN A 87 9.183 11.987 -5.409 1.00 0.00 O ATOM 1284 CB GLN A 87 7.635 9.686 -7.390 1.00 0.00 C ATOM 1285 CG GLN A 87 7.702 8.883 -6.082 1.00 0.00 C ATOM 1286 CD GLN A 87 7.472 7.392 -6.333 1.00 0.00 C ATOM 1287 OE1 GLN A 87 8.399 6.615 -6.520 1.00 0.00 O ATOM 1288 NE2 GLN A 87 6.234 6.936 -6.363 1.00 0.00 N ATOM 0 H GLN A 87 7.464 11.279 -9.253 1.00 0.00 H new ATOM 0 HA GLN A 87 7.011 11.514 -6.445 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.691 9.472 -7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.432 9.353 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.675 9.029 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.952 9.257 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.452 7.573 -6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.059 5.947 -6.540 1.00 0.00 H new ATOM 1297 N ILE A 88 10.200 11.563 -7.377 1.00 0.00 N ATOM 1298 CA ILE A 88 11.526 12.018 -6.923 1.00 0.00 C ATOM 1299 C ILE A 88 11.472 13.500 -6.535 1.00 0.00 C ATOM 1300 O ILE A 88 11.916 13.849 -5.445 1.00 0.00 O ATOM 1301 CB ILE A 88 12.642 11.744 -7.965 1.00 0.00 C ATOM 1302 CG1 ILE A 88 12.772 10.265 -8.405 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.005 12.215 -7.417 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.871 9.225 -7.284 1.00 0.00 C ATOM 0 H ILE A 88 10.181 11.229 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 88 11.788 11.434 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 88 12.347 12.308 -8.850 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.911 10.017 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.657 10.173 -9.035 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.782 12.018 -8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.964 13.284 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.234 11.676 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.958 8.229 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.749 9.432 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.977 9.273 -6.663 1.00 0.00 H new ATOM 1316 N LEU A 89 10.882 14.365 -7.372 1.00 0.00 N ATOM 1317 CA LEU A 89 10.759 15.799 -7.064 1.00 0.00 C ATOM 1318 C LEU A 89 9.955 16.054 -5.782 1.00 0.00 C ATOM 1319 O LEU A 89 10.403 16.833 -4.948 1.00 0.00 O ATOM 1320 CB LEU A 89 10.162 16.523 -8.290 1.00 0.00 C ATOM 1321 CG LEU A 89 9.818 18.012 -8.090 1.00 0.00 C ATOM 1322 CD1 LEU A 89 11.021 18.873 -7.696 1.00 0.00 C ATOM 1323 CD2 LEU A 89 9.253 18.584 -9.389 1.00 0.00 C ATOM 0 H LEU A 89 10.481 14.096 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 89 11.750 16.205 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.869 16.441 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.256 15.998 -8.592 1.00 0.00 H new ATOM 0 HG LEU A 89 9.096 18.045 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.703 19.908 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.438 18.507 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.780 18.817 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.010 19.637 -9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.994 18.486 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.351 18.037 -9.665 1.00 0.00 H new ATOM 1335 N ASN A 90 8.826 15.371 -5.573 1.00 0.00 N ATOM 1336 CA ASN A 90 8.019 15.533 -4.361 1.00 0.00 C ATOM 1337 C ASN A 90 8.798 15.107 -3.110 1.00 0.00 C ATOM 1338 O ASN A 90 8.916 15.904 -2.180 1.00 0.00 O ATOM 1339 CB ASN A 90 6.688 14.765 -4.499 1.00 0.00 C ATOM 1340 CG ASN A 90 5.696 15.392 -5.477 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.868 16.489 -5.993 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.595 14.719 -5.733 1.00 0.00 N ATOM 0 H ASN A 90 8.447 14.694 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 90 7.785 16.591 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.902 13.746 -4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.218 14.697 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.891 15.112 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.445 13.805 -5.307 1.00 0.00 H new ATOM 1349 N ARG A 91 9.427 13.919 -3.093 1.00 0.00 N ATOM 1350 CA ARG A 91 10.224 13.487 -1.922 1.00 0.00 C ATOM 1351 C ARG A 91 11.457 14.366 -1.695 1.00 0.00 C ATOM 1352 O ARG A 91 11.776 14.675 -0.548 1.00 0.00 O ATOM 1353 CB ARG A 91 10.588 11.992 -2.030 1.00 0.00 C ATOM 1354 CG ARG A 91 9.393 11.019 -1.990 1.00 0.00 C ATOM 1355 CD ARG A 91 8.415 11.318 -0.844 1.00 0.00 C ATOM 1356 NE ARG A 91 7.480 10.203 -0.601 1.00 0.00 N ATOM 1357 CZ ARG A 91 6.380 10.258 0.133 1.00 0.00 C ATOM 1358 NH1 ARG A 91 5.959 11.361 0.682 1.00 0.00 N ATOM 1359 NH2 ARG A 91 5.673 9.182 0.337 1.00 0.00 N ATOM 0 H ARG A 91 9.403 13.248 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 91 9.600 13.615 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.133 11.834 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.268 11.741 -1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.859 11.069 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.765 10.000 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.978 11.523 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.849 12.220 -1.078 1.00 0.00 H new ATOM 0 HE ARG A 91 7.701 9.309 -1.038 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.483 12.227 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.105 11.359 1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.967 8.294 -0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.826 9.228 0.903 1.00 0.00 H new ATOM 1373 N LEU A 92 12.095 14.850 -2.765 1.00 0.00 N ATOM 1374 CA LEU A 92 13.218 15.789 -2.677 1.00 0.00 C ATOM 1375 C LEU A 92 12.784 17.155 -2.111 1.00 0.00 C ATOM 1376 O LEU A 92 13.480 17.716 -1.266 1.00 0.00 O ATOM 1377 CB LEU A 92 13.871 15.879 -4.070 1.00 0.00 C ATOM 1378 CG LEU A 92 15.166 16.700 -4.158 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.291 16.153 -3.285 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.638 16.665 -5.606 1.00 0.00 C ATOM 0 H LEU A 92 11.846 14.600 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 92 13.961 15.426 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.082 14.867 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.146 16.307 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 92 14.942 17.707 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.175 16.781 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.975 16.152 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.528 15.135 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.559 17.241 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.822 15.633 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.871 17.097 -6.249 1.00 0.00 H new ATOM 1392 N ARG A 93 11.603 17.655 -2.498 1.00 0.00 N ATOM 1393 CA ARG A 93 11.048 18.911 -1.968 1.00 0.00 C ATOM 1394 C ARG A 93 10.646 18.772 -0.504 1.00 0.00 C ATOM 1395 O ARG A 93 10.990 19.635 0.292 1.00 0.00 O ATOM 1396 CB ARG A 93 9.885 19.375 -2.866 1.00 0.00 C ATOM 1397 CG ARG A 93 9.515 20.847 -2.616 1.00 0.00 C ATOM 1398 CD ARG A 93 8.411 21.319 -3.574 1.00 0.00 C ATOM 1399 NE ARG A 93 8.421 22.790 -3.715 1.00 0.00 N ATOM 1400 CZ ARG A 93 9.162 23.500 -4.552 1.00 0.00 C ATOM 1401 NH1 ARG A 93 9.988 22.969 -5.403 1.00 0.00 N ATOM 1402 NH2 ARG A 93 9.122 24.796 -4.581 1.00 0.00 N ATOM 0 H ARG A 93 11.004 17.201 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 93 11.817 19.683 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.160 19.243 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.013 18.746 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.181 20.970 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.399 21.472 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.551 20.856 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.439 20.993 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 93 7.792 23.312 -3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.090 21.955 -5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.534 23.566 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.505 25.302 -3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.707 25.310 -5.240 1.00 0.00 H new ATOM 1416 N GLU A 94 10.015 17.663 -0.118 1.00 0.00 N ATOM 1417 CA GLU A 94 9.658 17.401 1.285 1.00 0.00 C ATOM 1418 C GLU A 94 10.900 17.332 2.190 1.00 0.00 C ATOM 1419 O GLU A 94 10.957 18.043 3.194 1.00 0.00 O ATOM 1420 CB GLU A 94 8.833 16.111 1.403 1.00 0.00 C ATOM 1421 CG GLU A 94 7.418 16.274 0.832 1.00 0.00 C ATOM 1422 CD GLU A 94 6.589 14.992 1.037 1.00 0.00 C ATOM 1423 OE1 GLU A 94 6.961 13.927 0.485 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.553 15.035 1.745 1.00 0.00 O ATOM 0 H GLU A 94 9.736 16.922 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 94 9.050 18.239 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.345 15.305 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.769 15.817 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.921 17.114 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.476 16.508 -0.231 1.00 0.00 H new ATOM 1431 N ARG A 95 11.928 16.549 1.816 1.00 0.00 N ATOM 1432 CA ARG A 95 13.152 16.422 2.640 1.00 0.00 C ATOM 1433 C ARG A 95 13.989 17.709 2.685 1.00 0.00 C ATOM 1434 O ARG A 95 14.528 18.041 3.742 1.00 0.00 O ATOM 1435 CB ARG A 95 13.961 15.176 2.231 1.00 0.00 C ATOM 1436 CG ARG A 95 14.652 15.316 0.870 1.00 0.00 C ATOM 1437 CD ARG A 95 15.114 13.975 0.292 1.00 0.00 C ATOM 1438 NE ARG A 95 16.362 13.515 0.920 1.00 0.00 N ATOM 1439 CZ ARG A 95 16.656 12.333 1.416 1.00 0.00 C ATOM 1440 NH1 ARG A 95 15.782 11.378 1.552 1.00 0.00 N ATOM 1441 NH2 ARG A 95 17.880 12.117 1.778 1.00 0.00 N ATOM 0 H ARG A 95 11.940 15.998 0.958 1.00 0.00 H new ATOM 0 HA ARG A 95 12.835 16.272 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.714 14.975 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.296 14.313 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.967 15.791 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.513 15.977 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.335 13.227 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.262 14.073 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 95 17.105 14.212 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.814 11.528 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.065 10.480 1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 95 18.580 12.852 1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.145 11.212 2.167 1.00 0.00 H new ATOM 1455 N VAL A 96 14.072 18.466 1.579 1.00 0.00 N ATOM 1456 CA VAL A 96 14.840 19.729 1.543 1.00 0.00 C ATOM 1457 C VAL A 96 14.092 20.872 2.238 1.00 0.00 C ATOM 1458 O VAL A 96 14.650 21.492 3.142 1.00 0.00 O ATOM 1459 CB VAL A 96 15.280 20.093 0.114 1.00 0.00 C ATOM 1460 CG1 VAL A 96 15.941 21.475 0.020 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.319 19.070 -0.360 1.00 0.00 C ATOM 0 H VAL A 96 13.618 18.229 0.697 1.00 0.00 H new ATOM 0 HA VAL A 96 15.754 19.567 2.114 1.00 0.00 H new ATOM 0 HB VAL A 96 14.378 20.097 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.228 21.672 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.237 22.238 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.828 21.498 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.638 19.318 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.180 19.090 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.878 18.073 -0.353 1.00 0.00 H new ATOM 1471 N SER A 97 12.829 21.129 1.886 1.00 0.00 N ATOM 1472 CA SER A 97 12.053 22.226 2.488 1.00 0.00 C ATOM 1473 C SER A 97 11.710 21.953 3.957 1.00 0.00 C ATOM 1474 O SER A 97 11.830 22.847 4.791 1.00 0.00 O ATOM 1475 CB SER A 97 10.780 22.520 1.683 1.00 0.00 C ATOM 1476 OG SER A 97 11.124 22.915 0.362 1.00 0.00 O ATOM 0 H SER A 97 12.318 20.592 1.185 1.00 0.00 H new ATOM 0 HA SER A 97 12.689 23.110 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.145 21.634 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.205 23.308 2.170 1.00 0.00 H new ATOM 0 HG SER A 97 10.307 23.100 -0.147 1.00 0.00 H new ATOM 1482 N GLY A 98 11.396 20.704 4.320 1.00 0.00 N ATOM 1483 CA GLY A 98 11.127 20.302 5.708 1.00 0.00 C ATOM 1484 C GLY A 98 12.333 20.415 6.655 1.00 0.00 C ATOM 1485 O GLY A 98 12.149 20.454 7.874 1.00 0.00 O ATOM 0 H GLY A 98 11.320 19.936 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.316 20.917 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.775 19.270 5.711 1.00 0.00 H new ATOM 1489 N SER A 99 13.553 20.541 6.114 1.00 0.00 N ATOM 1490 CA SER A 99 14.785 20.793 6.884 1.00 0.00 C ATOM 1491 C SER A 99 15.042 22.286 7.182 1.00 0.00 C ATOM 1492 O SER A 99 16.033 22.612 7.837 1.00 0.00 O ATOM 1493 CB SER A 99 16.000 20.162 6.183 1.00 0.00 C ATOM 1494 OG SER A 99 15.871 18.748 6.095 1.00 0.00 O ATOM 0 H SER A 99 13.717 20.470 5.110 1.00 0.00 H new ATOM 0 HA SER A 99 14.636 20.317 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.104 20.582 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.909 20.413 6.730 1.00 0.00 H new ATOM 0 HG SER A 99 15.398 18.513 5.269 1.00 0.00 H new ATOM 1500 N THR A 100 14.175 23.202 6.719 1.00 0.00 N ATOM 1501 CA THR A 100 14.307 24.662 6.949 1.00 0.00 C ATOM 1502 C THR A 100 12.983 25.371 7.291 1.00 0.00 C ATOM 1503 O THR A 100 12.970 26.281 8.126 1.00 0.00 O ATOM 1504 CB THR A 100 15.026 25.321 5.750 1.00 0.00 C ATOM 1505 OG1 THR A 100 15.244 26.701 5.973 1.00 0.00 O ATOM 1506 CG2 THR A 100 14.287 25.195 4.414 1.00 0.00 C ATOM 0 H THR A 100 13.353 22.954 6.169 1.00 0.00 H new ATOM 0 HA THR A 100 14.917 24.785 7.844 1.00 0.00 H new ATOM 0 HB THR A 100 15.963 24.770 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 100 15.702 27.089 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.865 25.686 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.161 24.141 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.308 25.668 4.494 1.00 0.00 H new ATOM 1514 N ALA A 101 11.850 24.931 6.731 1.00 0.00 N ATOM 1515 CA ALA A 101 10.527 25.489 7.018 1.00 0.00 C ATOM 1516 C ALA A 101 10.119 25.265 8.490 1.00 0.00 C ATOM 1517 O ALA A 101 10.201 24.150 9.011 1.00 0.00 O ATOM 1518 CB ALA A 101 9.511 24.885 6.040 1.00 0.00 C ATOM 0 H ALA A 101 11.828 24.166 6.056 1.00 0.00 H new ATOM 0 HA ALA A 101 10.554 26.570 6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.522 25.294 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.800 25.129 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.488 23.802 6.162 1.00 0.00 H new ATOM 1524 N GLN A 102 9.659 26.329 9.160 1.00 0.00 N ATOM 1525 CA GLN A 102 9.373 26.309 10.605 1.00 0.00 C ATOM 1526 C GLN A 102 8.012 25.670 10.954 1.00 0.00 C ATOM 1527 O GLN A 102 7.787 25.286 12.104 1.00 0.00 O ATOM 1528 CB GLN A 102 9.488 27.739 11.164 1.00 0.00 C ATOM 1529 CG GLN A 102 10.878 28.378 10.984 1.00 0.00 C ATOM 1530 CD GLN A 102 11.990 27.605 11.698 1.00 0.00 C ATOM 1531 OE1 GLN A 102 12.129 27.647 12.915 1.00 0.00 O ATOM 1532 NE2 GLN A 102 12.817 26.862 10.990 1.00 0.00 N ATOM 0 H GLN A 102 9.474 27.229 8.718 1.00 0.00 H new ATOM 0 HA GLN A 102 10.116 25.668 11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.745 28.369 10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.243 27.723 12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.109 28.437 9.920 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.853 29.400 11.362 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.718 26.814 9.976 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.556 26.335 11.456 1.00 0.00 H new ATOM 1541 N SER A 103 7.118 25.516 9.968 1.00 0.00 N ATOM 1542 CA SER A 103 5.789 24.893 10.125 1.00 0.00 C ATOM 1543 C SER A 103 5.786 23.360 9.949 1.00 0.00 C ATOM 1544 O SER A 103 4.741 22.725 10.128 1.00 0.00 O ATOM 1545 CB SER A 103 4.791 25.530 9.144 1.00 0.00 C ATOM 1546 OG SER A 103 4.743 26.943 9.306 1.00 0.00 O ATOM 0 H SER A 103 7.300 25.828 9.014 1.00 0.00 H new ATOM 0 HA SER A 103 5.490 25.082 11.156 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.078 25.288 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.799 25.109 9.305 1.00 0.00 H new ATOM 0 HG SER A 103 4.102 27.324 8.669 1.00 0.00 H new ATOM 1552 N ALA A 104 6.930 22.759 9.588 1.00 0.00 N ATOM 1553 CA ALA A 104 7.099 21.316 9.364 1.00 0.00 C ATOM 1554 C ALA A 104 7.080 20.497 10.677 1.00 0.00 C ATOM 1555 O ALA A 104 7.744 20.899 11.663 1.00 0.00 O ATOM 1556 CB ALA A 104 8.383 21.088 8.554 1.00 0.00 C ATOM 1557 OXT ALA A 104 6.410 19.439 10.710 1.00 0.00 O ATOM 0 H ALA A 104 7.792 23.283 9.439 1.00 0.00 H new ATOM 0 HA ALA A 104 6.245 20.950 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.519 20.020 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.306 21.604 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.237 21.478 9.108 1.00 0.00 H new TER 1563 ALA A 104