USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 793 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 100 THR OG1 : rot 130:sc= 0.165 USER MOD Set 1.2: A 102 LYS NZ :NH3+ 179:sc= -0.204! (180deg=-0.386!) USER MOD Set 2.1: A 96 THR OG1 : rot 95:sc= 1.24 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 1.02 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0.937 USER MOD Set 3.2: A 56 THR OG1 : rot 108:sc= 0.926 USER MOD Set 4.1: A 52 THR OG1 : rot -65:sc= 1.2 USER MOD Set 4.2: A 54 THR OG1 : rot 180:sc= -0.0205 USER MOD Set 5.1: A 11 ASN : amide:sc=-0.00744 K(o=-0.0074,f=-0.82) USER MOD Set 5.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0872 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.548 USER MOD Single : A 3 HIS : no HE2:sc= -0.344 K(o=-0.34,f=-5.4!) USER MOD Single : A 4 MET CE :methyl 156:sc= -0.207 (180deg=-0.98) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 163:sc= 1.37 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 1.32 (180deg=1.19) USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0768) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 49:sc= -0.543 USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= 1.33 (180deg=1.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.21) USER MOD Single : A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 40 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.5!) USER MOD Single : A 48 TYR OH : rot 30:sc= 1.01 USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= 1.03 (180deg=-0.362!) USER MOD Single : A 55 TYR OH : rot 61:sc= 0.897 USER MOD Single : A 61 SER OG : rot -88:sc= 1.24 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 69 MET CE :methyl -156:sc= -0.328 (180deg=-1.17) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0329 F(o=-1.4!,f=-0.033) USER MOD Single : A 81 MET CE :methyl -158:sc= -0.138 (180deg=-0.755) USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 0.491 (180deg=0.49) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 158:sc= -1.17 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.503 K(o=-0.5,f=-2.5!) USER MOD Single : A 99 THR OG1 : rot 38:sc= 0.0683 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.174 5.539 0.249 1.00 4.75 N ATOM 2 CA GLY A 1 -42.825 5.918 0.739 1.00 3.82 C ATOM 3 C GLY A 1 -41.845 6.134 -0.398 1.00 2.64 C ATOM 4 O GLY A 1 -42.167 5.871 -1.557 1.00 2.97 O ATOM 0 H1 GLY A 1 -44.866 6.255 0.550 1.00 4.75 H new ATOM 0 H2 GLY A 1 -44.163 5.483 -0.789 1.00 4.75 H new ATOM 0 H3 GLY A 1 -44.439 4.614 0.643 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -42.898 6.830 1.332 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -42.447 5.137 1.399 1.00 3.82 H new ATOM 10 N SER A 2 -40.653 6.623 -0.079 1.00 1.83 N ATOM 11 CA SER A 2 -39.647 6.887 -1.093 1.00 1.07 C ATOM 12 C SER A 2 -38.245 6.646 -0.545 1.00 0.80 C ATOM 13 O SER A 2 -37.730 7.442 0.237 1.00 0.96 O ATOM 14 CB SER A 2 -39.777 8.326 -1.592 1.00 1.95 C ATOM 15 OG SER A 2 -39.692 9.245 -0.513 1.00 2.45 O ATOM 0 H SER A 2 -40.362 6.844 0.873 1.00 1.83 H new ATOM 0 HA SER A 2 -39.809 6.202 -1.925 1.00 1.07 H new ATOM 0 HB2 SER A 2 -38.991 8.536 -2.317 1.00 1.95 H new ATOM 0 HB3 SER A 2 -40.729 8.452 -2.108 1.00 1.95 H new ATOM 0 HG SER A 2 -38.900 9.043 0.027 1.00 2.45 H new ATOM 21 N HIS A 3 -37.674 5.507 -0.884 1.00 0.62 N ATOM 22 CA HIS A 3 -36.313 5.203 -0.480 1.00 0.44 C ATOM 23 C HIS A 3 -35.377 5.500 -1.645 1.00 0.40 C ATOM 24 O HIS A 3 -35.837 5.736 -2.762 1.00 0.53 O ATOM 25 CB HIS A 3 -36.171 3.724 -0.020 1.00 0.55 C ATOM 26 CG HIS A 3 -36.450 2.672 -1.072 1.00 1.04 C ATOM 27 ND1 HIS A 3 -36.824 1.383 -0.757 1.00 1.55 N ATOM 28 CD2 HIS A 3 -36.369 2.706 -2.428 1.00 1.91 C ATOM 29 CE1 HIS A 3 -36.970 0.683 -1.865 1.00 2.22 C ATOM 30 NE2 HIS A 3 -36.695 1.461 -2.891 1.00 2.50 N ATOM 0 H HIS A 3 -38.128 4.779 -1.436 1.00 0.62 H new ATOM 0 HA HIS A 3 -36.048 5.827 0.373 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -35.158 3.576 0.353 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -36.847 3.559 0.819 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -36.966 1.026 0.188 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -36.097 3.560 -3.030 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -37.266 -0.354 -1.921 1.00 2.22 H new ATOM 39 N MET A 4 -34.088 5.553 -1.375 1.00 0.38 N ATOM 40 CA MET A 4 -33.100 5.740 -2.420 1.00 0.41 C ATOM 41 C MET A 4 -32.149 4.550 -2.411 1.00 0.37 C ATOM 42 O MET A 4 -31.715 4.101 -1.346 1.00 0.43 O ATOM 43 CB MET A 4 -32.343 7.063 -2.246 1.00 0.54 C ATOM 44 CG MET A 4 -31.741 7.254 -0.867 1.00 1.29 C ATOM 45 SD MET A 4 -31.083 8.913 -0.610 1.00 1.92 S ATOM 46 CE MET A 4 -32.572 9.903 -0.768 1.00 2.06 C ATOM 0 H MET A 4 -33.698 5.469 -0.436 1.00 0.38 H new ATOM 0 HA MET A 4 -33.602 5.795 -3.386 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.547 7.114 -2.989 1.00 0.54 H new ATOM 0 HB3 MET A 4 -33.024 7.889 -2.451 1.00 0.54 H new ATOM 0 HG2 MET A 4 -32.501 7.050 -0.113 1.00 1.29 H new ATOM 0 HG3 MET A 4 -30.943 6.526 -0.721 1.00 1.29 H new ATOM 0 HE1 MET A 4 -32.440 10.846 -0.237 1.00 2.06 H new ATOM 0 HE2 MET A 4 -32.765 10.104 -1.822 1.00 2.06 H new ATOM 0 HE3 MET A 4 -33.416 9.361 -0.342 1.00 2.06 H new ATOM 56 N GLN A 5 -31.902 3.990 -3.582 1.00 0.34 N ATOM 57 CA GLN A 5 -31.090 2.796 -3.696 1.00 0.33 C ATOM 58 C GLN A 5 -29.624 3.137 -3.945 1.00 0.29 C ATOM 59 O GLN A 5 -29.297 3.957 -4.805 1.00 0.49 O ATOM 60 CB GLN A 5 -31.628 1.912 -4.829 1.00 0.44 C ATOM 61 CG GLN A 5 -30.966 0.544 -4.932 1.00 0.53 C ATOM 62 CD GLN A 5 -31.519 -0.273 -6.083 1.00 1.07 C ATOM 63 OE1 GLN A 5 -32.494 -1.006 -5.923 1.00 1.90 O ATOM 64 NE2 GLN A 5 -30.901 -0.151 -7.248 1.00 1.53 N ATOM 0 H GLN A 5 -32.255 4.347 -4.470 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.147 2.255 -2.752 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.700 1.773 -4.687 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.498 2.437 -5.775 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.891 0.671 -5.062 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -31.112 -0.000 -3.999 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -30.096 0.469 -7.336 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -31.230 -0.677 -8.058 1.00 1.53 H new ATOM 73 N TYR A 6 -28.753 2.485 -3.188 1.00 0.20 N ATOM 74 CA TYR A 6 -27.317 2.680 -3.317 1.00 0.21 C ATOM 75 C TYR A 6 -26.651 1.341 -3.593 1.00 0.23 C ATOM 76 O TYR A 6 -27.172 0.293 -3.203 1.00 0.30 O ATOM 77 CB TYR A 6 -26.711 3.277 -2.024 1.00 0.28 C ATOM 78 CG TYR A 6 -27.042 4.734 -1.794 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.154 5.740 -2.159 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.236 5.103 -1.190 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.449 7.072 -1.931 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.539 6.430 -0.965 1.00 0.83 C ATOM 83 CZ TYR A 6 -27.644 7.410 -1.330 1.00 0.43 C ATOM 84 OH TYR A 6 -27.952 8.732 -1.096 1.00 0.53 O ATOM 0 H TYR A 6 -29.020 1.810 -2.471 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.143 3.375 -4.138 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.064 2.698 -1.171 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -25.627 3.164 -2.059 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.218 5.477 -2.629 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -28.939 4.339 -0.891 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -25.749 7.842 -2.221 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.477 6.700 -0.503 1.00 0.83 H new ATOM 0 HH TYR A 6 -28.913 8.819 -0.926 1.00 0.53 H new ATOM 94 N LYS A 7 -25.532 1.373 -4.294 1.00 0.26 N ATOM 95 CA LYS A 7 -24.757 0.170 -4.532 1.00 0.30 C ATOM 96 C LYS A 7 -23.343 0.352 -4.031 1.00 0.23 C ATOM 97 O LYS A 7 -22.819 1.457 -4.004 1.00 0.31 O ATOM 98 CB LYS A 7 -24.759 -0.254 -6.009 1.00 0.50 C ATOM 99 CG LYS A 7 -24.471 0.862 -6.992 1.00 0.98 C ATOM 100 CD LYS A 7 -24.261 0.300 -8.395 1.00 1.30 C ATOM 101 CE LYS A 7 -23.169 -0.765 -8.407 1.00 1.94 C ATOM 102 NZ LYS A 7 -23.057 -1.462 -9.717 1.00 2.57 N ATOM 0 H LYS A 7 -25.140 2.219 -4.708 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.236 -0.636 -3.975 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.018 -1.041 -6.147 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.731 -0.686 -6.247 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.299 1.571 -6.998 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.583 1.411 -6.678 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -25.194 -0.128 -8.761 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.992 1.107 -9.076 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -22.213 -0.301 -8.165 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -23.374 -1.498 -7.627 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -22.411 -2.272 -9.625 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -23.996 -1.799 -10.012 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -22.686 -0.803 -10.430 1.00 2.57 H new ATOM 116 N LEU A 8 -22.759 -0.742 -3.589 1.00 0.22 N ATOM 117 CA LEU A 8 -21.411 -0.735 -3.036 1.00 0.20 C ATOM 118 C LEU A 8 -20.577 -1.821 -3.686 1.00 0.17 C ATOM 119 O LEU A 8 -21.022 -2.959 -3.797 1.00 0.25 O ATOM 120 CB LEU A 8 -21.462 -0.987 -1.519 1.00 0.28 C ATOM 121 CG LEU A 8 -20.108 -1.009 -0.807 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.628 0.392 -0.472 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.197 -1.848 0.441 1.00 0.33 C ATOM 0 H LEU A 8 -23.200 -1.662 -3.601 1.00 0.22 H new ATOM 0 HA LEU A 8 -20.962 0.239 -3.231 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.081 -0.215 -1.061 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.960 -1.941 -1.344 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.378 -1.451 -1.485 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.664 0.335 0.033 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.524 0.970 -1.390 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.352 0.878 0.182 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.229 -1.859 0.942 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -20.947 -1.427 1.110 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.479 -2.867 0.175 1.00 0.33 H new ATOM 135 N ILE A 9 -19.380 -1.462 -4.125 1.00 0.15 N ATOM 136 CA ILE A 9 -18.463 -2.423 -4.713 1.00 0.14 C ATOM 137 C ILE A 9 -17.303 -2.651 -3.761 1.00 0.13 C ATOM 138 O ILE A 9 -16.663 -1.696 -3.310 1.00 0.17 O ATOM 139 CB ILE A 9 -17.911 -1.938 -6.081 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.029 -1.571 -7.065 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.043 -3.003 -6.694 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.529 -0.855 -8.310 1.00 0.62 C ATOM 0 H ILE A 9 -19.021 -0.508 -4.084 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.012 -3.349 -4.883 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.327 -1.038 -5.888 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.553 -2.479 -7.363 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.755 -0.936 -6.557 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.661 -2.653 -7.653 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.208 -3.220 -6.028 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.631 -3.908 -6.846 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.372 -0.626 -8.961 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.031 0.071 -8.022 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -17.825 -1.496 -8.840 1.00 0.62 H new ATOM 154 N LEU A 10 -17.055 -3.909 -3.421 1.00 0.12 N ATOM 155 CA LEU A 10 -15.968 -4.235 -2.526 1.00 0.13 C ATOM 156 C LEU A 10 -14.752 -4.610 -3.333 1.00 0.15 C ATOM 157 O LEU A 10 -14.683 -5.702 -3.900 1.00 0.25 O ATOM 158 CB LEU A 10 -16.290 -5.393 -1.565 1.00 0.14 C ATOM 159 CG LEU A 10 -17.499 -5.239 -0.625 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.526 -3.889 0.049 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.817 -5.514 -1.340 1.00 0.19 C ATOM 0 H LEU A 10 -17.591 -4.711 -3.752 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.791 -3.347 -1.919 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.445 -6.290 -2.164 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.409 -5.570 -0.949 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.380 -5.993 0.153 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.396 -3.826 0.702 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.619 -3.759 0.639 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.582 -3.106 -0.707 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.643 -5.394 -0.639 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.936 -4.812 -2.165 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.815 -6.533 -1.727 1.00 0.19 H new ATOM 173 N ASN A 11 -13.840 -3.672 -3.462 1.00 0.15 N ATOM 174 CA ASN A 11 -12.596 -3.940 -4.142 1.00 0.18 C ATOM 175 C ASN A 11 -11.559 -4.326 -3.108 1.00 0.20 C ATOM 176 O ASN A 11 -10.849 -3.474 -2.576 1.00 0.24 O ATOM 177 CB ASN A 11 -12.109 -2.715 -4.928 1.00 0.24 C ATOM 178 CG ASN A 11 -12.880 -2.439 -6.204 1.00 1.01 C ATOM 179 OD1 ASN A 11 -13.411 -3.344 -6.846 1.00 1.96 O ATOM 180 ND2 ASN A 11 -12.927 -1.173 -6.587 1.00 1.33 N ATOM 0 H ASN A 11 -13.937 -2.721 -3.106 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.751 -4.750 -4.855 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -12.171 -1.838 -4.284 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.057 -2.854 -5.177 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -13.417 -0.917 -7.444 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.473 -0.453 -6.025 1.00 1.33 H new ATOM 187 N GLY A 12 -11.526 -5.600 -2.778 1.00 0.21 N ATOM 188 CA GLY A 12 -10.590 -6.087 -1.793 1.00 0.26 C ATOM 189 C GLY A 12 -10.217 -7.527 -2.064 1.00 0.39 C ATOM 190 O GLY A 12 -11.066 -8.339 -2.415 1.00 0.91 O ATOM 0 H GLY A 12 -12.136 -6.314 -3.177 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.693 -5.468 -1.801 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -11.027 -6.002 -0.798 1.00 0.26 H new ATOM 194 N LYS A 13 -8.938 -7.831 -1.945 1.00 0.44 N ATOM 195 CA LYS A 13 -8.426 -9.181 -2.194 1.00 0.56 C ATOM 196 C LYS A 13 -9.082 -10.227 -1.286 1.00 0.66 C ATOM 197 O LYS A 13 -9.081 -11.419 -1.599 1.00 0.89 O ATOM 198 CB LYS A 13 -6.906 -9.190 -2.011 1.00 0.76 C ATOM 199 CG LYS A 13 -6.191 -8.237 -2.962 1.00 1.17 C ATOM 200 CD LYS A 13 -4.699 -8.115 -2.661 1.00 1.63 C ATOM 201 CE LYS A 13 -4.021 -9.474 -2.574 1.00 2.41 C ATOM 202 NZ LYS A 13 -3.858 -9.923 -1.165 1.00 3.26 N ATOM 0 H LYS A 13 -8.221 -7.158 -1.675 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.676 -9.452 -3.220 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.667 -8.918 -0.983 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.532 -10.202 -2.168 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.324 -8.585 -3.986 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.652 -7.252 -2.898 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.220 -7.520 -3.439 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.562 -7.581 -1.721 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -4.609 -10.209 -3.124 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -3.044 -9.424 -3.054 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -3.887 -10.962 -1.126 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -2.944 -9.588 -0.798 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -4.628 -9.533 -0.585 1.00 3.26 H new ATOM 216 N THR A 14 -9.669 -9.782 -0.185 1.00 0.76 N ATOM 217 CA THR A 14 -10.336 -10.683 0.743 1.00 1.06 C ATOM 218 C THR A 14 -11.839 -10.774 0.458 1.00 0.93 C ATOM 219 O THR A 14 -12.509 -11.709 0.900 1.00 1.20 O ATOM 220 CB THR A 14 -10.125 -10.203 2.189 1.00 1.44 C ATOM 221 OG1 THR A 14 -10.303 -8.781 2.246 1.00 1.93 O ATOM 222 CG2 THR A 14 -8.737 -10.568 2.699 1.00 1.86 C ATOM 0 H THR A 14 -9.697 -8.800 0.088 1.00 0.76 H new ATOM 0 HA THR A 14 -9.899 -11.673 0.611 1.00 1.06 H new ATOM 0 HB THR A 14 -10.857 -10.699 2.826 1.00 1.44 H new ATOM 0 HG1 THR A 14 -10.171 -8.471 3.166 1.00 1.93 H new ATOM 0 HG21 THR A 14 -8.621 -10.214 3.723 1.00 1.86 H new ATOM 0 HG22 THR A 14 -8.613 -11.651 2.673 1.00 1.86 H new ATOM 0 HG23 THR A 14 -7.982 -10.101 2.066 1.00 1.86 H new ATOM 230 N LEU A 15 -12.346 -9.830 -0.329 1.00 0.64 N ATOM 231 CA LEU A 15 -13.768 -9.746 -0.629 1.00 0.66 C ATOM 232 C LEU A 15 -13.996 -8.900 -1.874 1.00 0.49 C ATOM 233 O LEU A 15 -13.863 -7.677 -1.834 1.00 0.55 O ATOM 234 CB LEU A 15 -14.523 -9.127 0.556 1.00 0.92 C ATOM 235 CG LEU A 15 -15.832 -9.802 0.959 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.731 -9.995 -0.244 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.557 -11.125 1.657 1.00 1.35 C ATOM 0 H LEU A 15 -11.784 -9.105 -0.774 1.00 0.64 H new ATOM 0 HA LEU A 15 -14.143 -10.754 -0.808 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.859 -9.127 1.421 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -14.736 -8.085 0.318 1.00 0.92 H new ATOM 0 HG LEU A 15 -16.353 -9.151 1.662 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.657 -10.478 0.068 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.958 -9.026 -0.688 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -16.225 -10.621 -0.979 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -16.501 -11.592 1.937 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.011 -11.785 0.983 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.961 -10.947 2.552 1.00 1.35 H new ATOM 249 N LYS A 16 -14.235 -9.563 -2.995 1.00 0.42 N ATOM 250 CA LYS A 16 -14.514 -8.885 -4.254 1.00 0.37 C ATOM 251 C LYS A 16 -15.946 -9.157 -4.700 1.00 0.43 C ATOM 252 O LYS A 16 -16.338 -10.311 -4.895 1.00 0.58 O ATOM 253 CB LYS A 16 -13.543 -9.356 -5.334 1.00 0.45 C ATOM 254 CG LYS A 16 -12.137 -8.817 -5.207 1.00 0.43 C ATOM 255 CD LYS A 16 -11.138 -9.839 -5.643 1.00 1.03 C ATOM 256 CE LYS A 16 -9.742 -9.260 -5.750 1.00 1.81 C ATOM 257 NZ LYS A 16 -9.550 -8.565 -7.048 1.00 2.49 N ATOM 0 H LYS A 16 -14.241 -10.581 -3.059 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.388 -7.813 -4.101 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.502 -10.445 -5.315 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.939 -9.069 -6.308 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -12.031 -7.917 -5.812 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.944 -8.531 -4.173 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -11.134 -10.667 -4.934 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.436 -10.248 -6.609 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -9.571 -8.561 -4.931 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -9.005 -10.057 -5.648 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -8.586 -8.178 -7.095 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -9.691 -9.239 -7.827 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -10.239 -7.790 -7.132 1.00 2.49 H new ATOM 271 N GLY A 17 -16.729 -8.101 -4.795 1.00 0.33 N ATOM 272 CA GLY A 17 -18.118 -8.225 -5.182 1.00 0.39 C ATOM 273 C GLY A 17 -18.817 -6.888 -5.115 1.00 0.26 C ATOM 274 O GLY A 17 -18.162 -5.860 -4.948 1.00 0.23 O ATOM 0 H GLY A 17 -16.425 -7.145 -4.609 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.183 -8.624 -6.194 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.620 -8.936 -4.526 1.00 0.39 H new ATOM 278 N GLU A 18 -20.137 -6.903 -5.174 1.00 0.28 N ATOM 279 CA GLU A 18 -20.917 -5.679 -5.040 1.00 0.23 C ATOM 280 C GLU A 18 -22.367 -6.010 -4.718 1.00 0.29 C ATOM 281 O GLU A 18 -22.866 -7.079 -5.072 1.00 0.49 O ATOM 282 CB GLU A 18 -20.796 -4.788 -6.292 1.00 0.46 C ATOM 283 CG GLU A 18 -21.145 -5.474 -7.599 1.00 0.70 C ATOM 284 CD GLU A 18 -20.918 -4.588 -8.807 1.00 1.17 C ATOM 285 OE1 GLU A 18 -21.801 -3.764 -9.135 1.00 1.69 O ATOM 286 OE2 GLU A 18 -19.857 -4.724 -9.445 1.00 1.69 O ATOM 0 H GLU A 18 -20.693 -7.746 -5.314 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.510 -5.104 -4.209 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.446 -3.922 -6.168 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -19.774 -4.413 -6.356 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.546 -6.379 -7.700 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -22.189 -5.785 -7.573 1.00 0.70 H new ATOM 293 N THR A 19 -23.017 -5.108 -4.000 1.00 0.22 N ATOM 294 CA THR A 19 -24.382 -5.329 -3.549 1.00 0.32 C ATOM 295 C THR A 19 -25.146 -4.008 -3.479 1.00 0.29 C ATOM 296 O THR A 19 -24.584 -2.944 -3.752 1.00 0.31 O ATOM 297 CB THR A 19 -24.402 -6.034 -2.169 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.727 -6.480 -1.855 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.895 -5.111 -1.051 1.00 0.45 C ATOM 0 H THR A 19 -22.620 -4.213 -3.716 1.00 0.22 H new ATOM 0 HA THR A 19 -24.874 -5.979 -4.273 1.00 0.32 H new ATOM 0 HB THR A 19 -23.732 -6.891 -2.234 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.724 -6.925 -0.982 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.925 -5.642 -0.099 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.870 -4.808 -1.266 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.530 -4.227 -0.993 1.00 0.45 H new ATOM 307 N THR A 20 -26.421 -4.077 -3.109 1.00 0.27 N ATOM 308 CA THR A 20 -27.267 -2.896 -3.038 1.00 0.24 C ATOM 309 C THR A 20 -28.066 -2.856 -1.737 1.00 0.25 C ATOM 310 O THR A 20 -28.309 -3.891 -1.118 1.00 0.31 O ATOM 311 CB THR A 20 -28.254 -2.844 -4.226 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.992 -4.073 -4.299 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.529 -2.608 -5.554 1.00 0.32 C ATOM 0 H THR A 20 -26.891 -4.945 -2.853 1.00 0.27 H new ATOM 0 HA THR A 20 -26.602 -2.033 -3.077 1.00 0.24 H new ATOM 0 HB THR A 20 -28.933 -2.008 -4.056 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.618 -4.035 -5.052 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.256 -2.578 -6.365 1.00 0.32 H new ATOM 0 HG22 THR A 20 -26.992 -1.660 -5.512 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.821 -3.418 -5.731 1.00 0.32 H new ATOM 321 N THR A 21 -28.478 -1.657 -1.343 1.00 0.23 N ATOM 322 CA THR A 21 -29.292 -1.482 -0.150 1.00 0.26 C ATOM 323 C THR A 21 -30.198 -0.273 -0.324 1.00 0.25 C ATOM 324 O THR A 21 -29.918 0.608 -1.146 1.00 0.26 O ATOM 325 CB THR A 21 -28.452 -1.311 1.147 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.287 -1.538 2.294 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.845 0.098 1.250 1.00 0.28 C ATOM 0 H THR A 21 -28.260 -0.790 -1.835 1.00 0.23 H new ATOM 0 HA THR A 21 -29.878 -2.394 -0.034 1.00 0.26 H new ATOM 0 HB THR A 21 -27.639 -2.036 1.112 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.756 -1.432 3.111 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.265 0.178 2.170 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.194 0.277 0.394 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.645 0.839 1.259 1.00 0.28 H new ATOM 335 N GLU A 22 -31.298 -0.256 0.409 1.00 0.31 N ATOM 336 CA GLU A 22 -32.226 0.852 0.360 1.00 0.36 C ATOM 337 C GLU A 22 -32.039 1.725 1.603 1.00 0.36 C ATOM 338 O GLU A 22 -31.839 1.210 2.705 1.00 0.58 O ATOM 339 CB GLU A 22 -33.674 0.331 0.278 1.00 0.51 C ATOM 340 CG GLU A 22 -34.132 -0.415 1.518 1.00 1.16 C ATOM 341 CD GLU A 22 -35.578 -0.864 1.419 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.826 -2.080 1.287 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.478 0.005 1.463 1.00 2.24 O ATOM 0 H GLU A 22 -31.568 -1.004 1.048 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.029 1.451 -0.529 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.343 1.174 0.105 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.764 -0.329 -0.585 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.494 -1.285 1.672 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -34.012 0.227 2.391 1.00 1.16 H new ATOM 350 N ALA A 23 -32.020 3.035 1.411 1.00 0.26 N ATOM 351 CA ALA A 23 -31.875 3.962 2.525 1.00 0.28 C ATOM 352 C ALA A 23 -32.670 5.230 2.233 1.00 0.31 C ATOM 353 O ALA A 23 -33.092 5.442 1.101 1.00 0.38 O ATOM 354 CB ALA A 23 -30.399 4.283 2.754 1.00 0.32 C ATOM 0 H ALA A 23 -32.103 3.480 0.497 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.264 3.505 3.435 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.303 4.977 3.589 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.858 3.364 2.981 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.982 4.737 1.855 1.00 0.32 H new ATOM 360 N VAL A 24 -32.952 6.032 3.253 1.00 0.35 N ATOM 361 CA VAL A 24 -33.667 7.290 3.051 1.00 0.45 C ATOM 362 C VAL A 24 -32.726 8.485 3.196 1.00 0.49 C ATOM 363 O VAL A 24 -33.164 9.635 3.207 1.00 0.74 O ATOM 364 CB VAL A 24 -34.848 7.440 4.032 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.957 6.457 3.691 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.391 7.238 5.465 1.00 1.09 C ATOM 0 H VAL A 24 -32.700 5.837 4.222 1.00 0.35 H new ATOM 0 HA VAL A 24 -34.064 7.269 2.036 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.238 8.453 3.935 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.780 6.579 4.395 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -36.313 6.647 2.679 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.573 5.439 3.755 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.242 7.349 6.137 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.969 6.239 5.575 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.633 7.981 5.713 1.00 1.09 H new ATOM 376 N ASP A 25 -31.433 8.202 3.298 1.00 0.39 N ATOM 377 CA ASP A 25 -30.430 9.246 3.478 1.00 0.45 C ATOM 378 C ASP A 25 -29.089 8.791 2.916 1.00 0.39 C ATOM 379 O ASP A 25 -28.851 7.592 2.752 1.00 0.35 O ATOM 380 CB ASP A 25 -30.294 9.612 4.961 1.00 0.54 C ATOM 381 CG ASP A 25 -29.104 10.504 5.244 1.00 1.25 C ATOM 382 OD1 ASP A 25 -29.115 11.676 4.821 1.00 1.51 O ATOM 383 OD2 ASP A 25 -28.142 10.016 5.870 1.00 2.13 O ATOM 0 H ASP A 25 -31.053 7.256 3.259 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.752 10.134 2.934 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -31.204 10.114 5.290 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -30.204 8.698 5.548 1.00 0.54 H new ATOM 388 N ALA A 26 -28.220 9.747 2.630 1.00 0.44 N ATOM 389 CA ALA A 26 -26.917 9.454 2.044 1.00 0.46 C ATOM 390 C ALA A 26 -25.919 8.960 3.091 1.00 0.38 C ATOM 391 O ALA A 26 -25.205 7.978 2.868 1.00 0.37 O ATOM 392 CB ALA A 26 -26.368 10.688 1.337 1.00 0.59 C ATOM 0 H ALA A 26 -28.393 10.739 2.794 1.00 0.44 H new ATOM 0 HA ALA A 26 -27.056 8.653 1.318 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -25.395 10.456 0.904 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -27.055 10.990 0.546 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -26.261 11.501 2.055 1.00 0.59 H new ATOM 398 N ALA A 27 -25.911 9.605 4.254 1.00 0.39 N ATOM 399 CA ALA A 27 -24.966 9.260 5.313 1.00 0.38 C ATOM 400 C ALA A 27 -25.369 7.956 5.973 1.00 0.31 C ATOM 401 O ALA A 27 -24.530 7.172 6.420 1.00 0.32 O ATOM 402 CB ALA A 27 -24.895 10.374 6.343 1.00 0.48 C ATOM 0 H ALA A 27 -26.547 10.368 4.487 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.978 9.135 4.870 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.187 10.102 7.125 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.567 11.295 5.861 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -25.881 10.526 6.783 1.00 0.48 H new ATOM 408 N THR A 28 -26.670 7.737 6.027 1.00 0.31 N ATOM 409 CA THR A 28 -27.225 6.508 6.578 1.00 0.30 C ATOM 410 C THR A 28 -26.812 5.304 5.727 1.00 0.24 C ATOM 411 O THR A 28 -26.638 4.201 6.241 1.00 0.28 O ATOM 412 CB THR A 28 -28.766 6.582 6.676 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.154 7.817 7.302 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.320 5.420 7.494 1.00 0.45 C ATOM 0 H THR A 28 -27.370 8.399 5.693 1.00 0.31 H new ATOM 0 HA THR A 28 -26.825 6.386 7.585 1.00 0.30 H new ATOM 0 HB THR A 28 -29.171 6.527 5.665 1.00 0.36 H new ATOM 0 HG1 THR A 28 -28.677 8.562 6.880 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.406 5.497 7.547 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.046 4.478 7.020 1.00 0.45 H new ATOM 0 HG23 THR A 28 -28.905 5.453 8.501 1.00 0.45 H new ATOM 422 N ALA A 29 -26.558 5.546 4.441 1.00 0.21 N ATOM 423 CA ALA A 29 -26.170 4.476 3.533 1.00 0.22 C ATOM 424 C ALA A 29 -24.745 4.053 3.843 1.00 0.21 C ATOM 425 O ALA A 29 -24.396 2.876 3.767 1.00 0.25 O ATOM 426 CB ALA A 29 -26.307 4.931 2.087 1.00 0.28 C ATOM 0 H ALA A 29 -26.614 6.469 4.010 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.830 3.620 3.672 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -26.013 4.120 1.421 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.343 5.206 1.889 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.663 5.793 1.914 1.00 0.28 H new ATOM 432 N GLU A 30 -23.942 5.034 4.234 1.00 0.19 N ATOM 433 CA GLU A 30 -22.570 4.802 4.636 1.00 0.20 C ATOM 434 C GLU A 30 -22.544 3.903 5.864 1.00 0.20 C ATOM 435 O GLU A 30 -22.018 2.792 5.828 1.00 0.23 O ATOM 436 CB GLU A 30 -21.901 6.133 4.979 1.00 0.24 C ATOM 437 CG GLU A 30 -20.387 6.053 5.031 1.00 0.35 C ATOM 438 CD GLU A 30 -19.760 7.158 5.860 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.384 8.202 5.289 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.628 6.983 7.095 1.00 1.29 O ATOM 0 H GLU A 30 -24.228 6.012 4.280 1.00 0.19 H new ATOM 0 HA GLU A 30 -22.034 4.323 3.816 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.192 6.878 4.239 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.272 6.479 5.944 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -20.094 5.087 5.443 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.992 6.100 4.016 1.00 0.35 H new ATOM 447 N LYS A 31 -23.194 4.382 6.922 1.00 0.20 N ATOM 448 CA LYS A 31 -23.238 3.705 8.212 1.00 0.24 C ATOM 449 C LYS A 31 -23.627 2.229 8.106 1.00 0.22 C ATOM 450 O LYS A 31 -22.991 1.374 8.724 1.00 0.26 O ATOM 451 CB LYS A 31 -24.187 4.447 9.161 1.00 0.29 C ATOM 452 CG LYS A 31 -23.810 5.908 9.350 1.00 0.39 C ATOM 453 CD LYS A 31 -22.316 6.055 9.584 1.00 1.10 C ATOM 454 CE LYS A 31 -21.888 7.510 9.630 1.00 1.86 C ATOM 455 NZ LYS A 31 -20.408 7.642 9.621 1.00 2.42 N ATOM 0 H LYS A 31 -23.710 5.261 6.906 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.225 3.725 8.615 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.203 4.386 8.771 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.187 3.948 10.130 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -24.103 6.480 8.470 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.358 6.323 10.196 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -22.046 5.568 10.521 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.773 5.542 8.790 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -22.307 8.041 8.775 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.291 7.981 10.527 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -20.136 8.535 10.079 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -19.985 6.845 10.138 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -20.065 7.638 8.639 1.00 2.42 H new ATOM 469 N VAL A 32 -24.623 1.918 7.280 1.00 0.20 N ATOM 470 CA VAL A 32 -25.081 0.536 7.138 1.00 0.22 C ATOM 471 C VAL A 32 -24.044 -0.317 6.411 1.00 0.18 C ATOM 472 O VAL A 32 -23.693 -1.410 6.865 1.00 0.20 O ATOM 473 CB VAL A 32 -26.432 0.461 6.390 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.887 -0.983 6.226 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.492 1.281 7.119 1.00 0.29 C ATOM 0 H VAL A 32 -25.124 2.595 6.704 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.219 0.142 8.145 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.292 0.883 5.395 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.840 -1.006 5.697 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.141 -1.537 5.656 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -27.006 -1.441 7.208 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.437 1.217 6.579 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.624 0.890 8.128 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.174 2.322 7.172 1.00 0.29 H new ATOM 485 N PHE A 33 -23.506 0.205 5.318 1.00 0.16 N ATOM 486 CA PHE A 33 -22.520 -0.534 4.537 1.00 0.15 C ATOM 487 C PHE A 33 -21.189 -0.644 5.268 1.00 0.15 C ATOM 488 O PHE A 33 -20.385 -1.523 4.958 1.00 0.17 O ATOM 489 CB PHE A 33 -22.287 0.105 3.164 1.00 0.17 C ATOM 490 CG PHE A 33 -23.235 -0.346 2.080 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.631 -1.673 1.992 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.709 0.553 1.138 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.484 -2.092 0.988 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.565 0.139 0.130 1.00 1.02 C ATOM 495 CZ PHE A 33 -24.953 -1.187 0.057 1.00 0.29 C ATOM 0 H PHE A 33 -23.732 1.130 4.953 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.931 -1.534 4.397 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.365 1.187 3.266 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.267 -0.113 2.847 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.268 -2.387 2.717 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.408 1.589 1.190 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.784 -3.128 0.932 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.929 0.850 -0.597 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.621 -1.513 -0.726 1.00 0.29 H new ATOM 505 N LYS A 34 -20.943 0.246 6.222 1.00 0.16 N ATOM 506 CA LYS A 34 -19.707 0.208 6.975 1.00 0.20 C ATOM 507 C LYS A 34 -19.692 -1.005 7.885 1.00 0.20 C ATOM 508 O LYS A 34 -18.704 -1.716 7.958 1.00 0.22 O ATOM 509 CB LYS A 34 -19.520 1.487 7.795 1.00 0.29 C ATOM 510 CG LYS A 34 -19.231 2.720 6.953 1.00 0.43 C ATOM 511 CD LYS A 34 -18.460 3.768 7.748 1.00 0.38 C ATOM 512 CE LYS A 34 -17.075 3.256 8.121 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.294 4.244 8.907 1.00 1.09 N ATOM 0 H LYS A 34 -21.582 0.996 6.487 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.880 0.137 6.269 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.419 1.664 8.385 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.701 1.339 8.499 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.657 2.434 6.072 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.168 3.148 6.598 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.368 4.681 7.160 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -19.013 4.024 8.652 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.175 2.336 8.697 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.527 3.005 7.212 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.360 3.846 9.135 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.173 5.114 8.350 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.800 4.465 9.788 1.00 1.09 H new ATOM 527 N GLN A 35 -20.818 -1.256 8.544 1.00 0.21 N ATOM 528 CA GLN A 35 -20.953 -2.418 9.412 1.00 0.24 C ATOM 529 C GLN A 35 -20.956 -3.677 8.553 1.00 0.21 C ATOM 530 O GLN A 35 -20.554 -4.757 8.986 1.00 0.24 O ATOM 531 CB GLN A 35 -22.247 -2.327 10.230 1.00 0.32 C ATOM 532 CG GLN A 35 -22.380 -3.413 11.295 1.00 0.43 C ATOM 533 CD GLN A 35 -21.202 -3.451 12.249 1.00 1.28 C ATOM 534 OE1 GLN A 35 -20.214 -4.149 12.015 1.00 2.20 O ATOM 535 NE2 GLN A 35 -21.302 -2.710 13.339 1.00 1.82 N ATOM 0 H GLN A 35 -21.651 -0.669 8.493 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.115 -2.452 10.108 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.293 -1.351 10.712 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -23.099 -2.389 9.553 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.296 -3.248 11.863 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.478 -4.383 10.807 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -22.137 -2.145 13.497 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -20.545 -2.703 14.022 1.00 1.82 H new ATOM 544 N TYR A 36 -21.406 -3.506 7.320 1.00 0.19 N ATOM 545 CA TYR A 36 -21.434 -4.575 6.338 1.00 0.18 C ATOM 546 C TYR A 36 -20.014 -4.935 5.908 1.00 0.17 C ATOM 547 O TYR A 36 -19.611 -6.092 5.979 1.00 0.19 O ATOM 548 CB TYR A 36 -22.271 -4.115 5.140 1.00 0.19 C ATOM 549 CG TYR A 36 -22.109 -4.941 3.891 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.594 -6.238 3.796 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.473 -4.394 2.796 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.442 -6.966 2.631 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.314 -5.102 1.629 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.801 -6.394 1.546 1.00 0.34 C ATOM 555 OH TYR A 36 -21.646 -7.112 0.379 1.00 0.42 O ATOM 0 H TYR A 36 -21.764 -2.616 6.972 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.884 -5.469 6.770 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.322 -4.122 5.427 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.010 -3.082 4.910 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.096 -6.683 4.642 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -21.091 -3.386 2.857 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -22.821 -7.975 2.568 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.813 -4.653 0.784 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.638 -6.498 -0.384 1.00 0.42 H new ATOM 565 N ALA A 37 -19.256 -3.926 5.495 1.00 0.15 N ATOM 566 CA ALA A 37 -17.877 -4.117 5.062 1.00 0.16 C ATOM 567 C ALA A 37 -16.992 -4.504 6.240 1.00 0.18 C ATOM 568 O ALA A 37 -16.049 -5.279 6.098 1.00 0.22 O ATOM 569 CB ALA A 37 -17.354 -2.853 4.394 1.00 0.17 C ATOM 0 H ALA A 37 -19.577 -2.959 5.451 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.852 -4.930 4.336 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.323 -3.010 4.076 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.970 -2.618 3.526 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.393 -2.025 5.101 1.00 0.17 H new ATOM 575 N ASN A 38 -17.329 -3.983 7.411 1.00 0.20 N ATOM 576 CA ASN A 38 -16.585 -4.278 8.635 1.00 0.26 C ATOM 577 C ASN A 38 -16.781 -5.742 9.015 1.00 0.28 C ATOM 578 O ASN A 38 -15.901 -6.369 9.600 1.00 0.36 O ATOM 579 CB ASN A 38 -17.055 -3.362 9.793 1.00 0.31 C ATOM 580 CG ASN A 38 -16.159 -3.426 11.034 1.00 0.44 C ATOM 581 OD1 ASN A 38 -16.277 -4.351 11.840 1.00 1.03 O ATOM 582 ND2 ASN A 38 -15.309 -2.416 11.242 1.00 1.39 N ATOM 0 H ASN A 38 -18.117 -3.349 7.543 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.526 -4.090 8.455 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.094 -2.333 9.437 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.071 -3.640 10.075 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -14.736 -2.397 12.086 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -15.233 -1.664 10.557 1.00 1.39 H new ATOM 589 N ASP A 39 -17.914 -6.300 8.601 1.00 0.30 N ATOM 590 CA ASP A 39 -18.253 -7.686 8.905 1.00 0.38 C ATOM 591 C ASP A 39 -17.348 -8.646 8.134 1.00 0.33 C ATOM 592 O ASP A 39 -17.020 -9.729 8.617 1.00 0.41 O ATOM 593 CB ASP A 39 -19.720 -7.955 8.559 1.00 0.53 C ATOM 594 CG ASP A 39 -20.268 -9.194 9.235 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.292 -10.274 8.605 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.702 -9.088 10.404 1.00 1.77 O ATOM 0 H ASP A 39 -18.618 -5.809 8.050 1.00 0.30 H new ATOM 0 HA ASP A 39 -18.101 -7.852 9.972 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.320 -7.093 8.850 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.819 -8.063 7.479 1.00 0.53 H new ATOM 601 N ASN A 40 -16.913 -8.226 6.946 1.00 0.28 N ATOM 602 CA ASN A 40 -16.016 -9.042 6.138 1.00 0.34 C ATOM 603 C ASN A 40 -14.580 -8.539 6.263 1.00 0.32 C ATOM 604 O ASN A 40 -13.661 -9.083 5.648 1.00 0.46 O ATOM 605 CB ASN A 40 -16.461 -9.097 4.663 1.00 0.42 C ATOM 606 CG ASN A 40 -16.883 -7.752 4.100 1.00 0.92 C ATOM 607 OD1 ASN A 40 -16.055 -6.962 3.671 1.00 1.78 O ATOM 608 ND2 ASN A 40 -18.182 -7.496 4.059 1.00 0.78 N ATOM 0 H ASN A 40 -17.167 -7.331 6.527 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.059 -10.062 6.521 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -15.643 -9.492 4.061 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -17.292 -9.796 4.570 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -18.517 -6.619 3.661 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -18.848 -8.176 4.425 1.00 0.78 H new ATOM 615 N GLY A 41 -14.392 -7.522 7.100 1.00 0.25 N ATOM 616 CA GLY A 41 -13.064 -7.016 7.385 1.00 0.33 C ATOM 617 C GLY A 41 -12.482 -6.128 6.299 1.00 0.28 C ATOM 618 O GLY A 41 -11.261 -6.037 6.166 1.00 0.37 O ATOM 0 H GLY A 41 -15.144 -7.037 7.589 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -13.096 -6.454 8.318 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.394 -7.861 7.544 1.00 0.33 H new ATOM 622 N VAL A 42 -13.326 -5.471 5.519 1.00 0.23 N ATOM 623 CA VAL A 42 -12.838 -4.591 4.484 1.00 0.26 C ATOM 624 C VAL A 42 -12.949 -3.130 4.912 1.00 0.36 C ATOM 625 O VAL A 42 -14.044 -2.593 5.098 1.00 0.46 O ATOM 626 CB VAL A 42 -13.566 -4.816 3.144 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.081 -3.819 2.103 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.330 -6.236 2.662 1.00 0.29 C ATOM 0 H VAL A 42 -14.342 -5.533 5.586 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.786 -4.831 4.331 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.635 -4.665 3.294 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.605 -3.991 1.163 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.281 -2.805 2.449 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.009 -3.945 1.950 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -13.847 -6.389 1.715 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.261 -6.400 2.523 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -13.712 -6.940 3.402 1.00 0.29 H new ATOM 638 N ASP A 43 -11.797 -2.510 5.107 1.00 0.42 N ATOM 639 CA ASP A 43 -11.735 -1.108 5.499 1.00 0.55 C ATOM 640 C ASP A 43 -10.718 -0.393 4.608 1.00 0.47 C ATOM 641 O ASP A 43 -9.522 -0.661 4.696 1.00 0.68 O ATOM 642 CB ASP A 43 -11.351 -0.969 6.982 1.00 0.80 C ATOM 643 CG ASP A 43 -11.550 0.445 7.500 1.00 1.29 C ATOM 644 OD1 ASP A 43 -12.715 0.902 7.552 1.00 1.86 O ATOM 645 OD2 ASP A 43 -10.552 1.093 7.879 1.00 1.80 O ATOM 0 H ASP A 43 -10.886 -2.957 5.000 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.717 -0.653 5.372 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -11.950 -1.659 7.576 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -10.308 -1.258 7.113 1.00 0.80 H new ATOM 650 N GLY A 44 -11.199 0.472 3.716 1.00 0.43 N ATOM 651 CA GLY A 44 -10.328 1.121 2.757 1.00 0.37 C ATOM 652 C GLY A 44 -10.856 2.475 2.341 1.00 0.34 C ATOM 653 O GLY A 44 -11.718 3.036 3.021 1.00 0.38 O ATOM 0 H GLY A 44 -12.182 0.734 3.643 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.334 1.236 3.189 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.221 0.487 1.877 1.00 0.37 H new ATOM 657 N GLU A 45 -10.261 3.048 1.298 1.00 0.34 N ATOM 658 CA GLU A 45 -10.690 4.349 0.780 1.00 0.35 C ATOM 659 C GLU A 45 -12.180 4.325 0.458 1.00 0.29 C ATOM 660 O GLU A 45 -12.685 3.343 -0.092 1.00 0.43 O ATOM 661 CB GLU A 45 -9.916 4.707 -0.495 1.00 0.45 C ATOM 662 CG GLU A 45 -8.410 4.610 -0.353 1.00 1.27 C ATOM 663 CD GLU A 45 -7.819 5.748 0.444 1.00 2.01 C ATOM 664 OE1 GLU A 45 -7.854 5.687 1.686 1.00 2.79 O ATOM 665 OE2 GLU A 45 -7.296 6.698 -0.177 1.00 2.57 O ATOM 0 H GLU A 45 -9.479 2.633 0.792 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.490 5.096 1.548 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -10.238 4.046 -1.300 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.177 5.722 -0.793 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.156 3.666 0.129 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -7.957 4.594 -1.344 1.00 1.27 H new ATOM 672 N TRP A 46 -12.868 5.408 0.777 1.00 0.22 N ATOM 673 CA TRP A 46 -14.302 5.506 0.513 1.00 0.24 C ATOM 674 C TRP A 46 -14.587 6.576 -0.536 1.00 0.28 C ATOM 675 O TRP A 46 -14.583 7.775 -0.239 1.00 0.41 O ATOM 676 CB TRP A 46 -15.093 5.800 1.805 1.00 0.31 C ATOM 677 CG TRP A 46 -15.477 4.565 2.572 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.629 3.747 3.255 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.800 4.011 2.755 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.322 2.716 3.837 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.653 2.857 3.550 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.094 4.367 2.326 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.732 2.061 3.922 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.162 3.574 2.705 1.00 0.32 C ATOM 685 CH2 TRP A 46 -18.975 2.437 3.496 1.00 0.35 C ATOM 0 H TRP A 46 -12.462 6.233 1.219 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.632 4.541 0.127 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.495 6.445 2.448 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -15.996 6.354 1.550 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.561 3.890 3.328 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.912 1.966 4.393 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.249 5.242 1.713 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.592 1.177 4.526 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.159 3.838 2.384 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.832 1.842 3.777 1.00 0.35 H new ATOM 696 N THR A 47 -14.778 6.134 -1.769 1.00 0.29 N ATOM 697 CA THR A 47 -15.092 7.021 -2.876 1.00 0.35 C ATOM 698 C THR A 47 -16.577 6.907 -3.229 1.00 0.31 C ATOM 699 O THR A 47 -17.235 5.940 -2.832 1.00 0.28 O ATOM 700 CB THR A 47 -14.207 6.688 -4.094 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.068 5.269 -4.217 1.00 0.53 O ATOM 702 CG2 THR A 47 -12.832 7.327 -3.957 1.00 0.63 C ATOM 0 H THR A 47 -14.719 5.150 -2.030 1.00 0.29 H new ATOM 0 HA THR A 47 -14.886 8.050 -2.581 1.00 0.35 H new ATOM 0 HB THR A 47 -14.687 7.088 -4.987 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.506 5.061 -4.993 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.226 7.078 -4.828 1.00 0.63 H new ATOM 0 HG22 THR A 47 -12.939 8.409 -3.887 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.345 6.952 -3.057 1.00 0.63 H new ATOM 710 N TYR A 48 -17.116 7.876 -3.965 1.00 0.38 N ATOM 711 CA TYR A 48 -18.540 7.866 -4.285 1.00 0.37 C ATOM 712 C TYR A 48 -18.828 8.617 -5.585 1.00 0.42 C ATOM 713 O TYR A 48 -18.089 9.526 -5.967 1.00 0.51 O ATOM 714 CB TYR A 48 -19.352 8.466 -3.110 1.00 0.41 C ATOM 715 CG TYR A 48 -20.835 8.708 -3.401 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.372 10.003 -3.505 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.709 7.633 -3.556 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.716 10.199 -3.751 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.055 7.832 -3.809 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.551 9.117 -3.904 1.00 0.61 C ATOM 721 OH TYR A 48 -24.892 9.318 -4.148 1.00 0.70 O ATOM 0 H TYR A 48 -16.597 8.667 -4.346 1.00 0.38 H new ATOM 0 HA TYR A 48 -18.848 6.831 -4.434 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.270 7.797 -2.254 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.896 9.412 -2.820 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.723 10.858 -3.391 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.328 6.625 -3.477 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.112 11.201 -3.823 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.715 6.986 -3.932 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.013 10.158 -4.638 1.00 0.70 H new ATOM 731 N ASP A 49 -19.890 8.197 -6.264 1.00 0.42 N ATOM 732 CA ASP A 49 -20.342 8.849 -7.510 1.00 0.51 C ATOM 733 C ASP A 49 -21.854 9.011 -7.425 1.00 0.53 C ATOM 734 O ASP A 49 -22.559 8.066 -7.069 1.00 0.55 O ATOM 735 CB ASP A 49 -19.936 8.063 -8.788 1.00 0.57 C ATOM 736 CG ASP A 49 -20.488 8.689 -10.052 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.910 9.686 -10.531 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.502 8.180 -10.575 1.00 1.52 O ATOM 0 H ASP A 49 -20.464 7.404 -5.978 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.851 9.818 -7.599 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.849 8.018 -8.853 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.293 7.036 -8.708 1.00 0.57 H new ATOM 743 N ASP A 50 -22.364 10.194 -7.749 1.00 0.68 N ATOM 744 CA ASP A 50 -23.780 10.477 -7.497 1.00 0.76 C ATOM 745 C ASP A 50 -24.652 10.070 -8.672 1.00 0.73 C ATOM 746 O ASP A 50 -25.842 9.808 -8.509 1.00 0.84 O ATOM 747 CB ASP A 50 -24.006 11.961 -7.168 1.00 1.00 C ATOM 748 CG ASP A 50 -25.386 12.200 -6.589 1.00 1.56 C ATOM 749 OD1 ASP A 50 -26.181 12.937 -7.206 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.687 11.628 -5.518 1.00 2.15 O ATOM 0 H ASP A 50 -21.838 10.957 -8.176 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.069 9.880 -6.632 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -23.250 12.296 -6.458 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.882 12.558 -8.072 1.00 1.00 H new ATOM 755 N ALA A 51 -24.062 9.991 -9.850 1.00 0.70 N ATOM 756 CA ALA A 51 -24.808 9.608 -11.036 1.00 0.78 C ATOM 757 C ALA A 51 -25.185 8.131 -10.992 1.00 0.75 C ATOM 758 O ALA A 51 -26.170 7.715 -11.604 1.00 0.91 O ATOM 759 CB ALA A 51 -24.005 9.914 -12.287 1.00 0.91 C ATOM 0 H ALA A 51 -23.074 10.186 -10.012 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.729 10.191 -11.060 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.577 9.621 -13.167 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.793 10.982 -12.331 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -23.068 9.358 -12.263 1.00 0.91 H new ATOM 765 N THR A 52 -24.402 7.341 -10.266 1.00 0.63 N ATOM 766 CA THR A 52 -24.644 5.905 -10.176 1.00 0.65 C ATOM 767 C THR A 52 -24.978 5.445 -8.748 1.00 0.55 C ATOM 768 O THR A 52 -25.228 4.259 -8.526 1.00 0.62 O ATOM 769 CB THR A 52 -23.421 5.114 -10.682 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.230 5.602 -10.050 1.00 1.06 O ATOM 771 CG2 THR A 52 -23.283 5.229 -12.193 1.00 1.19 C ATOM 0 H THR A 52 -23.597 7.669 -9.733 1.00 0.63 H new ATOM 0 HA THR A 52 -25.511 5.704 -10.806 1.00 0.65 H new ATOM 0 HB THR A 52 -23.566 4.064 -10.429 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.067 6.527 -10.329 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.413 4.662 -12.523 1.00 1.19 H new ATOM 0 HG22 THR A 52 -24.178 4.831 -12.671 1.00 1.19 H new ATOM 0 HG23 THR A 52 -23.159 6.276 -12.468 1.00 1.19 H new ATOM 779 N LYS A 53 -25.005 6.385 -7.791 1.00 0.47 N ATOM 780 CA LYS A 53 -25.265 6.063 -6.367 1.00 0.46 C ATOM 781 C LYS A 53 -24.397 4.905 -5.883 1.00 0.39 C ATOM 782 O LYS A 53 -24.817 4.099 -5.051 1.00 0.49 O ATOM 783 CB LYS A 53 -26.743 5.724 -6.142 1.00 0.59 C ATOM 784 CG LYS A 53 -27.530 6.839 -5.457 1.00 0.81 C ATOM 785 CD LYS A 53 -27.450 8.157 -6.210 1.00 0.87 C ATOM 786 CE LYS A 53 -28.209 9.251 -5.479 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.091 10.565 -6.161 1.00 2.08 N ATOM 0 H LYS A 53 -24.851 7.377 -7.971 1.00 0.47 H new ATOM 0 HA LYS A 53 -25.009 6.951 -5.789 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.206 5.502 -7.103 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.811 4.819 -5.538 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.574 6.539 -5.366 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.149 6.979 -4.445 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.407 8.450 -6.327 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -27.860 8.032 -7.212 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.261 8.975 -5.405 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.830 9.336 -4.461 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -29.023 11.026 -6.190 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -27.422 11.168 -5.640 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -27.745 10.423 -7.132 1.00 2.08 H new ATOM 801 N THR A 54 -23.167 4.860 -6.363 1.00 0.34 N ATOM 802 CA THR A 54 -22.270 3.774 -6.025 1.00 0.31 C ATOM 803 C THR A 54 -21.209 4.191 -5.004 1.00 0.28 C ATOM 804 O THR A 54 -20.389 5.073 -5.264 1.00 0.35 O ATOM 805 CB THR A 54 -21.559 3.224 -7.277 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.517 3.026 -8.326 1.00 0.51 O ATOM 807 CG2 THR A 54 -20.871 1.896 -6.965 1.00 0.41 C ATOM 0 H THR A 54 -22.769 5.562 -6.987 1.00 0.34 H new ATOM 0 HA THR A 54 -22.895 2.998 -5.583 1.00 0.31 H new ATOM 0 HB THR A 54 -20.806 3.946 -7.593 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.063 2.678 -9.122 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.375 1.524 -7.861 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.133 2.045 -6.177 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.614 1.170 -6.634 1.00 0.41 H new ATOM 815 N TYR A 55 -21.260 3.577 -3.834 1.00 0.21 N ATOM 816 CA TYR A 55 -20.212 3.751 -2.840 1.00 0.21 C ATOM 817 C TYR A 55 -19.099 2.762 -3.161 1.00 0.21 C ATOM 818 O TYR A 55 -19.365 1.599 -3.476 1.00 0.24 O ATOM 819 CB TYR A 55 -20.713 3.530 -1.392 1.00 0.24 C ATOM 820 CG TYR A 55 -21.361 4.747 -0.750 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.707 5.051 -0.940 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.611 5.593 0.061 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.277 6.164 -0.342 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.176 6.704 0.661 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.508 6.986 0.457 1.00 0.56 C ATOM 826 OH TYR A 55 -23.066 8.101 1.048 1.00 0.70 O ATOM 0 H TYR A 55 -22.015 2.954 -3.548 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.858 4.781 -2.887 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.432 2.710 -1.392 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.871 3.216 -0.775 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.315 4.411 -1.562 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.566 5.378 0.226 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.322 6.388 -0.501 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.575 7.347 1.287 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.795 7.826 1.643 1.00 0.70 H new ATOM 836 N THR A 56 -17.865 3.219 -3.144 1.00 0.24 N ATOM 837 CA THR A 56 -16.752 2.356 -3.496 1.00 0.29 C ATOM 838 C THR A 56 -15.752 2.248 -2.355 1.00 0.25 C ATOM 839 O THR A 56 -15.182 3.251 -1.925 1.00 0.28 O ATOM 840 CB THR A 56 -16.028 2.883 -4.760 1.00 0.38 C ATOM 841 OG1 THR A 56 -16.456 4.224 -5.031 1.00 0.96 O ATOM 842 CG2 THR A 56 -16.299 2.010 -5.982 1.00 0.74 C ATOM 0 H THR A 56 -17.606 4.173 -2.893 1.00 0.24 H new ATOM 0 HA THR A 56 -17.162 1.367 -3.698 1.00 0.29 H new ATOM 0 HB THR A 56 -14.956 2.857 -4.563 1.00 0.38 H new ATOM 0 HG1 THR A 56 -15.729 4.848 -4.824 1.00 0.96 H new ATOM 0 HG21 THR A 56 -15.771 2.417 -6.844 1.00 0.74 H new ATOM 0 HG22 THR A 56 -15.950 0.996 -5.789 1.00 0.74 H new ATOM 0 HG23 THR A 56 -17.369 1.993 -6.187 1.00 0.74 H new ATOM 850 N VAL A 57 -15.561 1.037 -1.847 1.00 0.24 N ATOM 851 CA VAL A 57 -14.561 0.815 -0.814 1.00 0.23 C ATOM 852 C VAL A 57 -13.434 -0.021 -1.409 1.00 0.24 C ATOM 853 O VAL A 57 -13.625 -1.174 -1.804 1.00 0.30 O ATOM 854 CB VAL A 57 -15.132 0.174 0.497 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.675 -1.232 0.275 1.00 0.28 C ATOM 856 CG2 VAL A 57 -14.067 0.158 1.589 1.00 0.27 C ATOM 0 H VAL A 57 -16.078 0.205 -2.129 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.184 1.787 -0.495 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.970 0.796 0.813 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -16.057 -1.627 1.216 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.480 -1.199 -0.459 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.876 -1.877 -0.091 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.479 -0.290 2.493 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.210 -0.426 1.253 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.749 1.179 1.803 1.00 0.27 H new ATOM 866 N THR A 58 -12.294 0.617 -1.598 1.00 0.26 N ATOM 867 CA THR A 58 -11.171 -0.025 -2.255 1.00 0.30 C ATOM 868 C THR A 58 -10.028 -0.262 -1.273 1.00 0.32 C ATOM 869 O THR A 58 -9.638 0.634 -0.521 1.00 0.36 O ATOM 870 CB THR A 58 -10.685 0.830 -3.444 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.819 1.451 -4.068 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.960 -0.018 -4.482 1.00 0.52 C ATOM 0 H THR A 58 -12.121 1.579 -1.306 1.00 0.26 H new ATOM 0 HA THR A 58 -11.505 -0.993 -2.630 1.00 0.30 H new ATOM 0 HB THR A 58 -9.990 1.579 -3.063 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.518 1.998 -4.824 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.632 0.617 -5.305 1.00 0.52 H new ATOM 0 HG22 THR A 58 -9.094 -0.494 -4.022 1.00 0.52 H new ATOM 0 HG23 THR A 58 -10.636 -0.784 -4.862 1.00 0.52 H new ATOM 880 N GLU A 59 -9.539 -1.490 -1.254 1.00 0.35 N ATOM 881 CA GLU A 59 -8.448 -1.874 -0.370 1.00 0.42 C ATOM 882 C GLU A 59 -7.113 -1.465 -1.008 1.00 0.53 C ATOM 883 O GLU A 59 -6.620 -2.151 -1.908 1.00 0.75 O ATOM 884 CB GLU A 59 -8.492 -3.396 -0.129 1.00 0.44 C ATOM 885 CG GLU A 59 -7.718 -3.910 1.085 1.00 0.78 C ATOM 886 CD GLU A 59 -6.242 -3.551 1.078 1.00 1.79 C ATOM 887 OE1 GLU A 59 -5.448 -4.291 0.456 1.00 2.34 O ATOM 888 OE2 GLU A 59 -5.872 -2.538 1.705 1.00 2.56 O ATOM 0 H GLU A 59 -9.883 -2.246 -1.846 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.550 -1.368 0.590 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -9.535 -3.696 -0.023 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.106 -3.895 -1.018 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -8.174 -3.508 1.990 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -7.817 -4.994 1.133 1.00 0.78 H new ATOM 895 N GLY A 60 -6.584 -0.298 -0.637 1.00 0.79 N ATOM 896 CA GLY A 60 -5.310 0.118 -1.183 1.00 0.91 C ATOM 897 C GLY A 60 -4.190 -0.061 -0.185 1.00 1.48 C ATOM 898 O GLY A 60 -4.054 0.718 0.758 1.00 2.32 O ATOM 0 H GLY A 60 -7.010 0.354 0.021 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -5.093 -0.460 -2.081 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -5.367 1.164 -1.483 1.00 0.91 H new ATOM 902 N SER A 61 -3.365 -1.067 -0.419 1.00 1.79 N ATOM 903 CA SER A 61 -2.239 -1.358 0.456 1.00 2.75 C ATOM 904 C SER A 61 -0.952 -1.480 -0.357 1.00 2.84 C ATOM 905 O SER A 61 0.088 -1.888 0.163 1.00 3.18 O ATOM 906 CB SER A 61 -2.509 -2.658 1.222 1.00 3.69 C ATOM 907 OG SER A 61 -2.908 -3.693 0.336 1.00 4.41 O ATOM 0 H SER A 61 -3.454 -1.701 -1.213 1.00 1.79 H new ATOM 0 HA SER A 61 -2.119 -0.541 1.167 1.00 2.75 H new ATOM 0 HB2 SER A 61 -1.611 -2.961 1.761 1.00 3.69 H new ATOM 0 HB3 SER A 61 -3.287 -2.491 1.967 1.00 3.69 H new ATOM 0 HG SER A 61 -3.879 -3.660 0.210 1.00 4.41 H new ATOM 913 N GLY A 62 -1.029 -1.111 -1.631 1.00 3.15 N ATOM 914 CA GLY A 62 0.134 -1.186 -2.497 1.00 3.63 C ATOM 915 C GLY A 62 0.067 -2.363 -3.450 1.00 4.11 C ATOM 916 O GLY A 62 0.849 -2.452 -4.393 1.00 4.49 O ATOM 0 H GLY A 62 -1.876 -0.761 -2.080 1.00 3.15 H new ATOM 0 HA2 GLY A 62 0.218 -0.262 -3.069 1.00 3.63 H new ATOM 0 HA3 GLY A 62 1.034 -1.266 -1.887 1.00 3.63 H new ATOM 920 N GLY A 63 -0.895 -3.254 -3.222 1.00 4.57 N ATOM 921 CA GLY A 63 -1.045 -4.436 -4.060 1.00 5.36 C ATOM 922 C GLY A 63 -1.647 -4.129 -5.420 1.00 5.56 C ATOM 923 O GLY A 63 -1.641 -4.977 -6.317 1.00 6.24 O ATOM 0 H GLY A 63 -1.578 -3.179 -2.468 1.00 4.57 H new ATOM 0 HA2 GLY A 63 -0.070 -4.903 -4.198 1.00 5.36 H new ATOM 0 HA3 GLY A 63 -1.675 -5.161 -3.546 1.00 5.36 H new ATOM 927 N ALA A 64 -2.168 -2.922 -5.574 1.00 5.28 N ATOM 928 CA ALA A 64 -2.779 -2.500 -6.824 1.00 5.82 C ATOM 929 C ALA A 64 -2.299 -1.103 -7.189 1.00 6.16 C ATOM 930 O ALA A 64 -1.841 -0.360 -6.322 1.00 6.23 O ATOM 931 CB ALA A 64 -4.297 -2.530 -6.712 1.00 6.29 C ATOM 0 H ALA A 64 -2.179 -2.212 -4.842 1.00 5.28 H new ATOM 0 HA ALA A 64 -2.482 -3.191 -7.612 1.00 5.82 H new ATOM 0 HB1 ALA A 64 -4.738 -2.211 -7.657 1.00 6.29 H new ATOM 0 HB2 ALA A 64 -4.625 -3.544 -6.482 1.00 6.29 H new ATOM 0 HB3 ALA A 64 -4.617 -1.856 -5.917 1.00 6.29 H new ATOM 937 N GLY A 65 -2.402 -0.746 -8.461 1.00 6.75 N ATOM 938 CA GLY A 65 -1.960 0.563 -8.896 1.00 7.43 C ATOM 939 C GLY A 65 -1.507 0.567 -10.339 1.00 8.04 C ATOM 940 O GLY A 65 -2.261 0.958 -11.228 1.00 8.41 O ATOM 0 H GLY A 65 -2.783 -1.338 -9.199 1.00 6.75 H new ATOM 0 HA2 GLY A 65 -2.773 1.278 -8.771 1.00 7.43 H new ATOM 0 HA3 GLY A 65 -1.141 0.897 -8.260 1.00 7.43 H new ATOM 944 N GLY A 66 -0.299 0.076 -10.576 1.00 8.36 N ATOM 945 CA GLY A 66 0.233 0.034 -11.927 1.00 9.12 C ATOM 946 C GLY A 66 -0.498 -0.951 -12.820 1.00 9.70 C ATOM 947 O GLY A 66 -0.523 -0.781 -14.041 1.00 10.44 O ATOM 0 H GLY A 66 0.324 -0.295 -9.858 1.00 8.36 H new ATOM 0 HA2 GLY A 66 0.172 1.029 -12.367 1.00 9.12 H new ATOM 0 HA3 GLY A 66 1.289 -0.233 -11.888 1.00 9.12 H new ATOM 951 N GLN A 67 -1.072 -1.990 -12.199 1.00 9.54 N ATOM 952 CA GLN A 67 -1.839 -3.025 -12.902 1.00 10.26 C ATOM 953 C GLN A 67 -0.921 -3.963 -13.689 1.00 10.54 C ATOM 954 O GLN A 67 -0.674 -5.095 -13.272 1.00 10.70 O ATOM 955 CB GLN A 67 -2.890 -2.391 -13.827 1.00 10.71 C ATOM 956 CG GLN A 67 -3.695 -3.399 -14.628 1.00 11.09 C ATOM 957 CD GLN A 67 -4.662 -2.736 -15.589 1.00 11.64 C ATOM 958 OE1 GLN A 67 -5.164 -1.642 -15.326 1.00 11.68 O ATOM 959 NE2 GLN A 67 -4.910 -3.374 -16.718 1.00 12.25 N ATOM 0 H GLN A 67 -1.017 -2.136 -11.191 1.00 9.54 H new ATOM 0 HA GLN A 67 -2.357 -3.621 -12.150 1.00 10.26 H new ATOM 0 HB2 GLN A 67 -3.573 -1.791 -13.226 1.00 10.71 H new ATOM 0 HB3 GLN A 67 -2.390 -1.711 -14.516 1.00 10.71 H new ATOM 0 HG2 GLN A 67 -3.014 -4.041 -15.187 1.00 11.09 H new ATOM 0 HG3 GLN A 67 -4.250 -4.042 -13.945 1.00 11.09 H new ATOM 0 HE21 GLN A 67 -4.475 -4.279 -16.899 1.00 12.25 H new ATOM 0 HE22 GLN A 67 -5.537 -2.962 -17.409 1.00 12.25 H new ATOM 968 N GLY A 68 -0.379 -3.470 -14.788 1.00 10.79 N ATOM 969 CA GLY A 68 0.482 -4.276 -15.625 1.00 11.26 C ATOM 970 C GLY A 68 1.029 -3.474 -16.787 1.00 11.69 C ATOM 971 O GLY A 68 0.908 -2.249 -16.790 1.00 11.72 O ATOM 0 H GLY A 68 -0.521 -2.516 -15.119 1.00 10.79 H new ATOM 0 HA2 GLY A 68 1.307 -4.668 -15.030 1.00 11.26 H new ATOM 0 HA3 GLY A 68 -0.074 -5.134 -16.003 1.00 11.26 H new ATOM 975 N MET A 69 1.609 -4.160 -17.780 1.00 12.22 N ATOM 976 CA MET A 69 2.197 -3.501 -18.950 1.00 12.82 C ATOM 977 C MET A 69 3.321 -2.566 -18.509 1.00 13.10 C ATOM 978 O MET A 69 3.954 -2.814 -17.478 1.00 13.24 O ATOM 979 CB MET A 69 1.132 -2.707 -19.725 1.00 13.26 C ATOM 980 CG MET A 69 -0.049 -3.541 -20.193 1.00 13.52 C ATOM 981 SD MET A 69 -1.328 -2.536 -20.977 1.00 14.03 S ATOM 982 CE MET A 69 -1.716 -1.392 -19.651 1.00 14.29 C ATOM 0 H MET A 69 1.683 -5.177 -17.795 1.00 12.22 H new ATOM 0 HA MET A 69 2.601 -4.269 -19.609 1.00 12.82 H new ATOM 0 HB2 MET A 69 0.764 -1.900 -19.091 1.00 13.26 H new ATOM 0 HB3 MET A 69 1.601 -2.243 -20.592 1.00 13.26 H new ATOM 0 HG2 MET A 69 0.299 -4.297 -20.897 1.00 13.52 H new ATOM 0 HG3 MET A 69 -0.477 -4.071 -19.342 1.00 13.52 H new ATOM 0 HE1 MET A 69 -2.726 -1.005 -19.788 1.00 14.29 H new ATOM 0 HE2 MET A 69 -1.653 -1.910 -18.694 1.00 14.29 H new ATOM 0 HE3 MET A 69 -1.006 -0.565 -19.664 1.00 14.29 H new ATOM 992 N ILE A 70 3.670 -1.621 -19.384 1.00 13.36 N ATOM 993 CA ILE A 70 4.646 -0.563 -19.082 1.00 13.79 C ATOM 994 C ILE A 70 6.057 -1.023 -19.433 1.00 14.28 C ATOM 995 O ILE A 70 7.022 -0.263 -19.342 1.00 14.51 O ATOM 996 CB ILE A 70 4.556 -0.063 -17.592 1.00 13.60 C ATOM 997 CG1 ILE A 70 4.469 1.464 -17.558 1.00 13.34 C ATOM 998 CG2 ILE A 70 5.750 -0.532 -16.742 1.00 14.13 C ATOM 999 CD1 ILE A 70 3.135 2.015 -18.035 1.00 13.69 C ATOM 0 H ILE A 70 3.284 -1.565 -20.327 1.00 13.36 H new ATOM 0 HA ILE A 70 4.396 0.295 -19.706 1.00 13.79 H new ATOM 0 HB ILE A 70 3.655 -0.499 -17.160 1.00 13.60 H new ATOM 0 HG12 ILE A 70 4.649 1.806 -16.539 1.00 13.34 H new ATOM 0 HG13 ILE A 70 5.265 1.877 -18.178 1.00 13.34 H new ATOM 0 HG21 ILE A 70 5.640 -0.161 -15.723 1.00 14.13 H new ATOM 0 HG22 ILE A 70 5.782 -1.621 -16.730 1.00 14.13 H new ATOM 0 HG23 ILE A 70 6.675 -0.147 -17.170 1.00 14.13 H new ATOM 0 HD11 ILE A 70 3.151 3.104 -17.981 1.00 13.69 H new ATOM 0 HD12 ILE A 70 2.961 1.705 -19.065 1.00 13.69 H new ATOM 0 HD13 ILE A 70 2.335 1.632 -17.401 1.00 13.69 H new ATOM 1011 N GLN A 71 6.135 -2.212 -20.007 1.00 14.61 N ATOM 1012 CA GLN A 71 7.407 -2.796 -20.390 1.00 15.25 C ATOM 1013 C GLN A 71 7.651 -2.588 -21.876 1.00 16.12 C ATOM 1014 O GLN A 71 8.535 -3.206 -22.477 1.00 16.80 O ATOM 1015 CB GLN A 71 7.422 -4.287 -20.059 1.00 15.18 C ATOM 1016 CG GLN A 71 6.344 -5.090 -20.776 1.00 15.42 C ATOM 1017 CD GLN A 71 6.460 -6.579 -20.524 1.00 15.46 C ATOM 1018 OE1 GLN A 71 7.684 -7.050 -20.332 1.00 15.61 O flip ATOM 1019 NE2 GLN A 71 5.462 -7.300 -20.507 1.00 15.48 N flip ATOM 0 H GLN A 71 5.325 -2.795 -20.219 1.00 14.61 H new ATOM 0 HA GLN A 71 8.202 -2.304 -19.830 1.00 15.25 H new ATOM 0 HB2 GLN A 71 8.398 -4.697 -20.317 1.00 15.18 H new ATOM 0 HB3 GLN A 71 7.299 -4.411 -18.983 1.00 15.18 H new ATOM 0 HG2 GLN A 71 5.363 -4.746 -20.450 1.00 15.42 H new ATOM 0 HG3 GLN A 71 6.408 -4.901 -21.848 1.00 15.42 H new ATOM 0 HE21 GLN A 71 4.538 -6.896 -20.660 1.00 15.48 H new ATOM 0 HE22 GLN A 71 5.559 -8.302 -20.340 1.00 15.48 H new ATOM 1028 N GLU A 72 6.841 -1.730 -22.466 1.00 16.21 N ATOM 1029 CA GLU A 72 6.941 -1.425 -23.881 1.00 17.08 C ATOM 1030 C GLU A 72 7.729 -0.132 -24.068 1.00 17.64 C ATOM 1031 O GLU A 72 7.757 0.718 -23.173 1.00 17.36 O ATOM 1032 CB GLU A 72 5.546 -1.286 -24.507 1.00 17.12 C ATOM 1033 CG GLU A 72 4.607 -2.444 -24.193 1.00 16.82 C ATOM 1034 CD GLU A 72 3.833 -2.234 -22.908 1.00 16.87 C ATOM 1035 OE1 GLU A 72 4.171 -2.868 -21.889 1.00 16.46 O ATOM 1036 OE2 GLU A 72 2.888 -1.418 -22.912 1.00 17.42 O ATOM 0 H GLU A 72 6.098 -1.227 -21.981 1.00 16.21 H new ATOM 0 HA GLU A 72 7.459 -2.243 -24.381 1.00 17.08 H new ATOM 0 HB2 GLU A 72 5.093 -0.359 -24.156 1.00 17.12 H new ATOM 0 HB3 GLU A 72 5.651 -1.200 -25.589 1.00 17.12 H new ATOM 0 HG2 GLU A 72 3.906 -2.573 -25.018 1.00 16.82 H new ATOM 0 HG3 GLU A 72 5.185 -3.365 -24.119 1.00 16.82 H new ATOM 1043 N PRO A 73 8.404 0.032 -25.214 1.00 18.53 N ATOM 1044 CA PRO A 73 9.180 1.235 -25.494 1.00 19.22 C ATOM 1045 C PRO A 73 8.272 2.372 -25.962 1.00 19.49 C ATOM 1046 O PRO A 73 7.173 2.137 -26.466 1.00 19.26 O ATOM 1047 CB PRO A 73 10.115 0.765 -26.618 1.00 20.10 C ATOM 1048 CG PRO A 73 9.254 -0.167 -27.386 1.00 20.05 C ATOM 1049 CD PRO A 73 8.453 -0.915 -26.346 1.00 19.04 C ATOM 0 HA PRO A 73 9.710 1.631 -24.628 1.00 19.22 H new ATOM 0 HB2 PRO A 73 10.461 1.597 -27.232 1.00 20.10 H new ATOM 0 HB3 PRO A 73 11.002 0.268 -26.226 1.00 20.10 H new ATOM 0 HG2 PRO A 73 8.602 0.374 -28.071 1.00 20.05 H new ATOM 0 HG3 PRO A 73 9.853 -0.850 -27.988 1.00 20.05 H new ATOM 0 HD2 PRO A 73 7.455 -1.163 -26.708 1.00 19.04 H new ATOM 0 HD3 PRO A 73 8.932 -1.853 -26.066 1.00 19.04 H new ATOM 1057 N ALA A 74 8.733 3.597 -25.788 1.00 20.11 N ATOM 1058 CA ALA A 74 7.964 4.768 -26.170 1.00 20.56 C ATOM 1059 C ALA A 74 8.888 5.858 -26.698 1.00 20.94 C ATOM 1060 O ALA A 74 10.109 5.694 -26.694 1.00 20.85 O ATOM 1061 CB ALA A 74 7.156 5.281 -24.985 1.00 20.34 C ATOM 0 H ALA A 74 9.644 3.808 -25.381 1.00 20.11 H new ATOM 0 HA ALA A 74 7.272 4.487 -26.964 1.00 20.56 H new ATOM 0 HB1 ALA A 74 6.585 6.159 -25.287 1.00 20.34 H new ATOM 0 HB2 ALA A 74 6.473 4.502 -24.646 1.00 20.34 H new ATOM 0 HB3 ALA A 74 7.832 5.549 -24.173 1.00 20.34 H new ATOM 1067 N LEU A 75 8.301 6.958 -27.145 1.00 21.47 N ATOM 1068 CA LEU A 75 9.067 8.081 -27.667 1.00 21.98 C ATOM 1069 C LEU A 75 9.705 8.852 -26.511 1.00 22.04 C ATOM 1070 O LEU A 75 9.143 8.884 -25.412 1.00 21.90 O ATOM 1071 CB LEU A 75 8.175 9.036 -28.491 1.00 22.62 C ATOM 1072 CG LEU A 75 7.607 8.491 -29.808 1.00 22.85 C ATOM 1073 CD1 LEU A 75 8.712 7.880 -30.661 1.00 22.94 C ATOM 1074 CD2 LEU A 75 6.490 7.486 -29.555 1.00 22.46 C ATOM 0 H LEU A 75 7.291 7.098 -27.157 1.00 21.47 H new ATOM 0 HA LEU A 75 9.842 7.684 -28.323 1.00 21.98 H new ATOM 0 HB2 LEU A 75 7.339 9.346 -27.863 1.00 22.62 H new ATOM 0 HB3 LEU A 75 8.754 9.932 -28.716 1.00 22.62 H new ATOM 0 HG LEU A 75 7.177 9.328 -30.359 1.00 22.85 H new ATOM 0 HD11 LEU A 75 8.287 7.500 -31.590 1.00 22.94 H new ATOM 0 HD12 LEU A 75 9.459 8.641 -30.888 1.00 22.94 H new ATOM 0 HD13 LEU A 75 9.182 7.062 -30.116 1.00 22.94 H new ATOM 0 HD21 LEU A 75 6.109 7.118 -30.508 1.00 22.46 H new ATOM 0 HD22 LEU A 75 6.878 6.650 -28.973 1.00 22.46 H new ATOM 0 HD23 LEU A 75 5.684 7.969 -29.004 1.00 22.46 H new ATOM 1086 N PRO A 76 10.892 9.453 -26.708 1.00 22.33 N ATOM 1087 CA PRO A 76 11.533 10.259 -25.665 1.00 22.55 C ATOM 1088 C PRO A 76 10.777 11.571 -25.465 1.00 23.16 C ATOM 1089 O PRO A 76 10.028 11.992 -26.353 1.00 23.54 O ATOM 1090 CB PRO A 76 12.955 10.524 -26.227 1.00 22.90 C ATOM 1091 CG PRO A 76 13.100 9.580 -27.372 1.00 22.69 C ATOM 1092 CD PRO A 76 11.703 9.426 -27.931 1.00 22.58 C ATOM 0 HA PRO A 76 11.549 9.765 -24.694 1.00 22.55 H new ATOM 0 HB2 PRO A 76 13.064 11.559 -26.552 1.00 22.90 H new ATOM 0 HB3 PRO A 76 13.718 10.346 -25.470 1.00 22.90 H new ATOM 0 HG2 PRO A 76 13.785 9.973 -28.123 1.00 22.69 H new ATOM 0 HG3 PRO A 76 13.502 8.621 -27.045 1.00 22.69 H new ATOM 0 HD2 PRO A 76 11.443 10.235 -28.613 1.00 22.58 H new ATOM 0 HD3 PRO A 76 11.583 8.493 -28.482 1.00 22.58 H new ATOM 1100 N PRO A 77 10.955 12.252 -24.318 1.00 23.33 N ATOM 1101 CA PRO A 77 10.257 13.516 -24.051 1.00 24.01 C ATOM 1102 C PRO A 77 10.623 14.572 -25.089 1.00 24.77 C ATOM 1103 O PRO A 77 11.800 14.797 -25.378 1.00 25.03 O ATOM 1104 CB PRO A 77 10.756 13.910 -22.657 1.00 24.14 C ATOM 1105 CG PRO A 77 12.083 13.259 -22.565 1.00 23.57 C ATOM 1106 CD PRO A 77 11.899 11.918 -23.235 1.00 23.01 C ATOM 0 HA PRO A 77 9.172 13.424 -24.100 1.00 24.01 H new ATOM 0 HB2 PRO A 77 10.832 14.992 -22.549 1.00 24.14 H new ATOM 0 HB3 PRO A 77 10.082 13.559 -21.876 1.00 24.14 H new ATOM 0 HG2 PRO A 77 12.850 13.850 -23.066 1.00 23.57 H new ATOM 0 HG3 PRO A 77 12.397 13.144 -21.527 1.00 23.57 H new ATOM 0 HD2 PRO A 77 12.838 11.520 -23.619 1.00 23.01 H new ATOM 0 HD3 PRO A 77 11.492 11.172 -22.553 1.00 23.01 H new ATOM 1114 N GLY A 78 9.611 15.198 -25.663 1.00 25.21 N ATOM 1115 CA GLY A 78 9.850 16.195 -26.694 1.00 26.01 C ATOM 1116 C GLY A 78 9.851 15.631 -28.113 1.00 25.92 C ATOM 1117 O GLY A 78 9.789 16.396 -29.075 1.00 26.59 O ATOM 0 H GLY A 78 8.629 15.038 -25.438 1.00 25.21 H new ATOM 0 HA2 GLY A 78 9.085 16.968 -26.622 1.00 26.01 H new ATOM 0 HA3 GLY A 78 10.809 16.676 -26.504 1.00 26.01 H new ATOM 1121 N TRP A 79 9.958 14.313 -28.258 1.00 25.19 N ATOM 1122 CA TRP A 79 9.944 13.696 -29.591 1.00 25.16 C ATOM 1123 C TRP A 79 8.543 13.195 -29.958 1.00 24.97 C ATOM 1124 O TRP A 79 7.930 12.448 -29.191 1.00 24.43 O ATOM 1125 CB TRP A 79 10.928 12.519 -29.664 1.00 24.58 C ATOM 1126 CG TRP A 79 12.369 12.936 -29.671 1.00 24.92 C ATOM 1127 CD1 TRP A 79 13.144 13.257 -28.592 1.00 24.92 C ATOM 1128 CD2 TRP A 79 13.213 13.065 -30.821 1.00 25.44 C ATOM 1129 NE1 TRP A 79 14.409 13.597 -29.004 1.00 25.41 N ATOM 1130 CE2 TRP A 79 14.477 13.487 -30.367 1.00 25.73 C ATOM 1131 CE3 TRP A 79 13.022 12.876 -32.195 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 15.540 13.715 -31.232 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 14.079 13.103 -33.053 1.00 26.34 C ATOM 1134 CH2 TRP A 79 15.323 13.520 -32.570 1.00 26.61 C ATOM 0 H TRP A 79 10.054 13.655 -27.484 1.00 25.19 H new ATOM 0 HA TRP A 79 10.246 14.466 -30.301 1.00 25.16 H new ATOM 0 HB2 TRP A 79 10.754 11.859 -28.814 1.00 24.58 H new ATOM 0 HB3 TRP A 79 10.722 11.940 -30.565 1.00 24.58 H new ATOM 0 HD1 TRP A 79 12.810 13.245 -27.565 1.00 24.92 H new ATOM 0 HE1 TRP A 79 15.174 13.885 -28.394 1.00 25.41 H new ATOM 0 HE3 TRP A 79 12.063 12.558 -32.577 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 16.503 14.035 -30.862 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 13.943 12.956 -34.114 1.00 26.34 H new ATOM 0 HH2 TRP A 79 16.130 13.692 -33.267 1.00 26.61 H new ATOM 1145 N GLU A 80 8.031 13.611 -31.118 1.00 25.51 N ATOM 1146 CA GLU A 80 6.743 13.129 -31.593 1.00 25.50 C ATOM 1147 C GLU A 80 6.950 12.252 -32.823 1.00 25.52 C ATOM 1148 O GLU A 80 7.893 12.462 -33.594 1.00 25.91 O ATOM 1149 CB GLU A 80 5.811 14.295 -31.951 1.00 26.28 C ATOM 1150 CG GLU A 80 5.517 15.244 -30.801 1.00 26.33 C ATOM 1151 CD GLU A 80 4.683 16.434 -31.241 1.00 26.69 C ATOM 1152 OE1 GLU A 80 5.240 17.542 -31.376 1.00 26.95 O ATOM 1153 OE2 GLU A 80 3.467 16.263 -31.478 1.00 26.80 O ATOM 0 H GLU A 80 8.490 14.277 -31.739 1.00 25.51 H new ATOM 0 HA GLU A 80 6.279 12.551 -30.794 1.00 25.50 H new ATOM 0 HB2 GLU A 80 6.257 14.862 -32.768 1.00 26.28 H new ATOM 0 HB3 GLU A 80 4.869 13.890 -32.321 1.00 26.28 H new ATOM 0 HG2 GLU A 80 4.991 14.705 -30.012 1.00 26.33 H new ATOM 0 HG3 GLU A 80 6.456 15.598 -30.374 1.00 26.33 H new ATOM 1160 N MET A 81 6.070 11.282 -33.009 1.00 25.18 N ATOM 1161 CA MET A 81 6.162 10.367 -34.135 1.00 25.27 C ATOM 1162 C MET A 81 4.833 10.364 -34.895 1.00 25.77 C ATOM 1163 O MET A 81 3.798 10.025 -34.321 1.00 25.60 O ATOM 1164 CB MET A 81 6.508 8.962 -33.619 1.00 24.50 C ATOM 1165 CG MET A 81 6.931 7.980 -34.704 1.00 24.68 C ATOM 1166 SD MET A 81 5.585 7.454 -35.786 1.00 24.52 S ATOM 1167 CE MET A 81 4.499 6.642 -34.617 1.00 24.27 C ATOM 0 H MET A 81 5.278 11.107 -32.390 1.00 25.18 H new ATOM 0 HA MET A 81 6.948 10.687 -34.819 1.00 25.27 H new ATOM 0 HB2 MET A 81 7.312 9.045 -32.887 1.00 24.50 H new ATOM 0 HB3 MET A 81 5.642 8.556 -33.097 1.00 24.50 H new ATOM 0 HG2 MET A 81 7.712 8.439 -35.310 1.00 24.68 H new ATOM 0 HG3 MET A 81 7.369 7.100 -34.232 1.00 24.68 H new ATOM 0 HE1 MET A 81 3.849 5.945 -35.147 1.00 24.27 H new ATOM 0 HE2 MET A 81 5.095 6.097 -33.885 1.00 24.27 H new ATOM 0 HE3 MET A 81 3.891 7.389 -34.106 1.00 24.27 H new ATOM 1177 N LYS A 82 4.842 10.777 -36.165 1.00 26.46 N ATOM 1178 CA LYS A 82 3.603 10.863 -36.944 1.00 27.08 C ATOM 1179 C LYS A 82 3.867 10.461 -38.396 1.00 27.55 C ATOM 1180 O LYS A 82 5.007 10.516 -38.858 1.00 27.58 O ATOM 1181 CB LYS A 82 3.027 12.294 -36.879 1.00 27.79 C ATOM 1182 CG LYS A 82 3.100 12.924 -35.496 1.00 27.45 C ATOM 1183 CD LYS A 82 2.553 14.346 -35.482 1.00 28.23 C ATOM 1184 CE LYS A 82 2.866 15.046 -34.163 1.00 28.14 C ATOM 1185 NZ LYS A 82 2.175 16.360 -34.028 1.00 28.22 N ATOM 0 H LYS A 82 5.683 11.054 -36.672 1.00 26.46 H new ATOM 0 HA LYS A 82 2.872 10.176 -36.518 1.00 27.08 H new ATOM 0 HB2 LYS A 82 3.567 12.925 -37.584 1.00 27.79 H new ATOM 0 HB3 LYS A 82 1.987 12.272 -37.203 1.00 27.79 H new ATOM 0 HG2 LYS A 82 2.537 12.313 -34.790 1.00 27.45 H new ATOM 0 HG3 LYS A 82 4.136 12.931 -35.156 1.00 27.45 H new ATOM 0 HD2 LYS A 82 2.984 14.912 -36.308 1.00 28.23 H new ATOM 0 HD3 LYS A 82 1.474 14.325 -35.638 1.00 28.23 H new ATOM 0 HE2 LYS A 82 2.573 14.400 -33.336 1.00 28.14 H new ATOM 0 HE3 LYS A 82 3.943 15.197 -34.084 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 2.410 16.783 -33.107 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 2.486 16.996 -34.790 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 1.147 16.220 -34.092 1.00 28.22 H new ATOM 1199 N TYR A 83 2.821 10.044 -39.105 1.00 27.96 N ATOM 1200 CA TYR A 83 2.962 9.624 -40.509 1.00 28.50 C ATOM 1201 C TYR A 83 2.275 10.607 -41.461 1.00 29.50 C ATOM 1202 O TYR A 83 1.412 11.389 -41.050 1.00 29.77 O ATOM 1203 CB TYR A 83 2.351 8.227 -40.735 1.00 28.32 C ATOM 1204 CG TYR A 83 3.153 7.071 -40.176 1.00 27.47 C ATOM 1205 CD1 TYR A 83 4.051 6.383 -40.978 1.00 27.19 C ATOM 1206 CD2 TYR A 83 2.988 6.647 -38.864 1.00 27.03 C ATOM 1207 CE1 TYR A 83 4.764 5.304 -40.489 1.00 26.48 C ATOM 1208 CE2 TYR A 83 3.700 5.572 -38.365 1.00 26.32 C ATOM 1209 CZ TYR A 83 4.585 4.901 -39.182 1.00 26.04 C ATOM 1210 OH TYR A 83 5.291 3.826 -38.691 1.00 25.39 O ATOM 0 H TYR A 83 1.870 9.986 -38.740 1.00 27.96 H new ATOM 0 HA TYR A 83 4.031 9.600 -40.720 1.00 28.50 H new ATOM 0 HB2 TYR A 83 1.357 8.207 -40.289 1.00 28.32 H new ATOM 0 HB3 TYR A 83 2.223 8.074 -41.807 1.00 28.32 H new ATOM 0 HD1 TYR A 83 4.196 6.695 -42.002 1.00 27.19 H new ATOM 0 HD2 TYR A 83 2.291 7.166 -38.222 1.00 27.03 H new ATOM 0 HE1 TYR A 83 5.458 4.779 -41.128 1.00 26.48 H new ATOM 0 HE2 TYR A 83 3.564 5.259 -37.340 1.00 26.32 H new ATOM 0 HH TYR A 83 5.048 3.676 -37.754 1.00 25.39 H new ATOM 1220 N THR A 84 2.679 10.572 -42.729 1.00 30.09 N ATOM 1221 CA THR A 84 2.035 11.370 -43.764 1.00 31.09 C ATOM 1222 C THR A 84 0.887 10.551 -44.378 1.00 31.47 C ATOM 1223 O THR A 84 0.557 9.480 -43.869 1.00 30.98 O ATOM 1224 CB THR A 84 3.035 11.787 -44.870 1.00 31.69 C ATOM 1225 OG1 THR A 84 3.415 10.649 -45.661 1.00 31.75 O ATOM 1226 CG2 THR A 84 4.287 12.420 -44.283 1.00 31.35 C ATOM 0 H THR A 84 3.452 9.997 -43.063 1.00 30.09 H new ATOM 0 HA THR A 84 1.650 12.283 -43.310 1.00 31.09 H new ATOM 0 HB THR A 84 2.531 12.523 -45.497 1.00 31.69 H new ATOM 0 HG1 THR A 84 3.742 10.952 -46.534 1.00 31.75 H new ATOM 0 HG21 THR A 84 4.965 12.700 -45.089 1.00 31.35 H new ATOM 0 HG22 THR A 84 4.013 13.309 -43.714 1.00 31.35 H new ATOM 0 HG23 THR A 84 4.781 11.706 -43.624 1.00 31.35 H new ATOM 1234 N SER A 85 0.323 11.001 -45.495 1.00 32.40 N ATOM 1235 CA SER A 85 -0.799 10.288 -46.111 1.00 32.91 C ATOM 1236 C SER A 85 -0.328 9.246 -47.132 1.00 33.07 C ATOM 1237 O SER A 85 -1.133 8.653 -47.848 1.00 33.44 O ATOM 1238 CB SER A 85 -1.768 11.280 -46.754 1.00 33.91 C ATOM 1239 OG SER A 85 -1.079 12.269 -47.499 1.00 34.32 O ATOM 0 H SER A 85 0.617 11.844 -45.989 1.00 32.40 H new ATOM 0 HA SER A 85 -1.320 9.747 -45.321 1.00 32.91 H new ATOM 0 HB2 SER A 85 -2.458 10.745 -47.407 1.00 33.91 H new ATOM 0 HB3 SER A 85 -2.368 11.758 -45.980 1.00 33.91 H new ATOM 0 HG SER A 85 -1.726 12.887 -47.899 1.00 34.32 H new ATOM 1245 N GLU A 86 0.968 8.982 -47.149 1.00 32.82 N ATOM 1246 CA GLU A 86 1.541 8.002 -48.072 1.00 33.03 C ATOM 1247 C GLU A 86 2.229 6.893 -47.279 1.00 32.13 C ATOM 1248 O GLU A 86 2.759 5.933 -47.842 1.00 32.23 O ATOM 1249 CB GLU A 86 2.544 8.699 -48.999 1.00 33.61 C ATOM 1250 CG GLU A 86 3.111 7.796 -50.083 1.00 34.45 C ATOM 1251 CD GLU A 86 4.087 8.513 -50.986 1.00 34.93 C ATOM 1252 OE1 GLU A 86 5.274 8.624 -50.617 1.00 34.87 O ATOM 1253 OE2 GLU A 86 3.670 8.972 -52.067 1.00 35.43 O ATOM 0 H GLU A 86 1.648 9.430 -46.535 1.00 32.82 H new ATOM 0 HA GLU A 86 0.750 7.560 -48.677 1.00 33.03 H new ATOM 0 HB2 GLU A 86 2.056 9.553 -49.469 1.00 33.61 H new ATOM 0 HB3 GLU A 86 3.366 9.091 -48.400 1.00 33.61 H new ATOM 0 HG2 GLU A 86 3.610 6.946 -49.618 1.00 34.45 H new ATOM 0 HG3 GLU A 86 2.293 7.397 -50.683 1.00 34.45 H new ATOM 1260 N GLY A 87 2.175 7.012 -45.960 1.00 31.30 N ATOM 1261 CA GLY A 87 2.843 6.051 -45.108 1.00 30.42 C ATOM 1262 C GLY A 87 4.252 6.487 -44.760 1.00 30.02 C ATOM 1263 O GLY A 87 4.982 5.766 -44.081 1.00 29.44 O ATOM 0 H GLY A 87 1.681 7.755 -45.466 1.00 31.30 H new ATOM 0 HA2 GLY A 87 2.268 5.917 -44.192 1.00 30.42 H new ATOM 0 HA3 GLY A 87 2.876 5.083 -45.608 1.00 30.42 H new ATOM 1267 N VAL A 88 4.641 7.666 -45.231 1.00 30.40 N ATOM 1268 CA VAL A 88 5.961 8.200 -44.937 1.00 30.17 C ATOM 1269 C VAL A 88 6.023 8.646 -43.485 1.00 29.38 C ATOM 1270 O VAL A 88 5.128 9.333 -42.996 1.00 29.40 O ATOM 1271 CB VAL A 88 6.327 9.372 -45.873 1.00 31.05 C ATOM 1272 CG1 VAL A 88 7.648 10.012 -45.470 1.00 30.89 C ATOM 1273 CG2 VAL A 88 6.391 8.893 -47.317 1.00 31.86 C ATOM 0 H VAL A 88 4.061 8.267 -45.816 1.00 30.40 H new ATOM 0 HA VAL A 88 6.690 7.407 -45.107 1.00 30.17 H new ATOM 0 HB VAL A 88 5.548 10.129 -45.783 1.00 31.05 H new ATOM 0 HG11 VAL A 88 7.876 10.833 -46.149 1.00 30.89 H new ATOM 0 HG12 VAL A 88 7.572 10.393 -44.452 1.00 30.89 H new ATOM 0 HG13 VAL A 88 8.443 9.268 -45.520 1.00 30.89 H new ATOM 0 HG21 VAL A 88 6.650 9.729 -47.967 1.00 31.86 H new ATOM 0 HG22 VAL A 88 7.148 8.114 -47.409 1.00 31.86 H new ATOM 0 HG23 VAL A 88 5.421 8.492 -47.611 1.00 31.86 H new ATOM 1283 N ARG A 89 7.062 8.222 -42.794 1.00 28.74 N ATOM 1284 CA ARG A 89 7.210 8.515 -41.382 1.00 27.99 C ATOM 1285 C ARG A 89 8.123 9.715 -41.177 1.00 28.23 C ATOM 1286 O ARG A 89 9.276 9.701 -41.603 1.00 28.54 O ATOM 1287 CB ARG A 89 7.792 7.292 -40.681 1.00 27.21 C ATOM 1288 CG ARG A 89 7.614 7.270 -39.177 1.00 26.48 C ATOM 1289 CD ARG A 89 8.111 5.946 -38.631 1.00 25.83 C ATOM 1290 NE ARG A 89 7.866 5.781 -37.201 1.00 25.29 N ATOM 1291 CZ ARG A 89 7.916 4.602 -36.575 1.00 24.70 C ATOM 1292 NH1 ARG A 89 8.150 3.490 -37.262 1.00 24.55 N ATOM 1293 NH2 ARG A 89 7.699 4.532 -35.267 1.00 24.34 N ATOM 0 H ARG A 89 7.822 7.669 -43.191 1.00 28.74 H new ATOM 0 HA ARG A 89 6.234 8.754 -40.961 1.00 27.99 H new ATOM 0 HB2 ARG A 89 7.330 6.398 -41.099 1.00 27.21 H new ATOM 0 HB3 ARG A 89 8.857 7.235 -40.906 1.00 27.21 H new ATOM 0 HG2 ARG A 89 8.165 8.093 -38.722 1.00 26.48 H new ATOM 0 HG3 ARG A 89 6.564 7.410 -38.922 1.00 26.48 H new ATOM 0 HD2 ARG A 89 7.626 5.133 -39.172 1.00 25.83 H new ATOM 0 HD3 ARG A 89 9.181 5.861 -38.821 1.00 25.83 H new ATOM 0 HE ARG A 89 7.645 6.611 -36.650 1.00 25.29 H new ATOM 0 HH11 ARG A 89 8.292 3.534 -38.271 1.00 24.55 H new ATOM 0 HH12 ARG A 89 8.187 2.592 -36.781 1.00 24.55 H new ATOM 0 HH21 ARG A 89 7.494 5.380 -34.738 1.00 24.34 H new ATOM 0 HH22 ARG A 89 7.738 3.631 -34.791 1.00 24.34 H new ATOM 1307 N TYR A 90 7.612 10.752 -40.531 1.00 28.18 N ATOM 1308 CA TYR A 90 8.417 11.930 -40.250 1.00 28.46 C ATOM 1309 C TYR A 90 8.461 12.144 -38.740 1.00 27.80 C ATOM 1310 O TYR A 90 7.548 11.720 -38.025 1.00 27.31 O ATOM 1311 CB TYR A 90 7.894 13.182 -40.985 1.00 29.43 C ATOM 1312 CG TYR A 90 6.522 13.672 -40.572 1.00 29.57 C ATOM 1313 CD1 TYR A 90 5.372 13.084 -41.078 1.00 29.65 C ATOM 1314 CD2 TYR A 90 6.378 14.751 -39.704 1.00 29.70 C ATOM 1315 CE1 TYR A 90 4.119 13.546 -40.731 1.00 29.86 C ATOM 1316 CE2 TYR A 90 5.127 15.218 -39.349 1.00 29.91 C ATOM 1317 CZ TYR A 90 4.000 14.613 -39.867 1.00 30.05 C ATOM 1318 OH TYR A 90 2.751 15.067 -39.519 1.00 30.27 O ATOM 0 H TYR A 90 6.651 10.802 -40.194 1.00 28.18 H new ATOM 0 HA TYR A 90 9.427 11.764 -40.624 1.00 28.46 H new ATOM 0 HB2 TYR A 90 8.608 13.992 -40.834 1.00 29.43 H new ATOM 0 HB3 TYR A 90 7.875 12.970 -42.054 1.00 29.43 H new ATOM 0 HD1 TYR A 90 5.459 12.248 -41.757 1.00 29.65 H new ATOM 0 HD2 TYR A 90 7.258 15.231 -39.302 1.00 29.70 H new ATOM 0 HE1 TYR A 90 3.236 13.074 -41.135 1.00 29.86 H new ATOM 0 HE2 TYR A 90 5.032 16.052 -38.670 1.00 29.91 H new ATOM 0 HH TYR A 90 2.838 15.823 -38.902 1.00 30.27 H new ATOM 1328 N PHE A 91 9.512 12.775 -38.239 1.00 27.84 N ATOM 1329 CA PHE A 91 9.648 12.947 -36.808 1.00 27.29 C ATOM 1330 C PHE A 91 9.634 14.424 -36.470 1.00 27.91 C ATOM 1331 O PHE A 91 10.077 15.260 -37.259 1.00 28.69 O ATOM 1332 CB PHE A 91 10.925 12.264 -36.292 1.00 26.81 C ATOM 1333 CG PHE A 91 10.849 10.754 -36.273 1.00 26.08 C ATOM 1334 CD1 PHE A 91 10.828 10.076 -35.064 1.00 25.34 C ATOM 1335 CD2 PHE A 91 10.803 10.007 -37.449 1.00 26.22 C ATOM 1336 CE1 PHE A 91 10.759 8.698 -35.025 1.00 24.76 C ATOM 1337 CE2 PHE A 91 10.733 8.629 -37.409 1.00 25.66 C ATOM 1338 CZ PHE A 91 10.711 7.975 -36.196 1.00 24.89 C ATOM 0 H PHE A 91 10.270 13.170 -38.795 1.00 27.84 H new ATOM 0 HA PHE A 91 8.804 12.470 -36.310 1.00 27.29 H new ATOM 0 HB2 PHE A 91 11.765 12.568 -36.917 1.00 26.81 H new ATOM 0 HB3 PHE A 91 11.133 12.620 -35.283 1.00 26.81 H new ATOM 0 HD1 PHE A 91 10.866 10.634 -34.140 1.00 25.34 H new ATOM 0 HD2 PHE A 91 10.822 10.513 -38.403 1.00 26.22 H new ATOM 0 HE1 PHE A 91 10.743 8.186 -34.074 1.00 24.76 H new ATOM 0 HE2 PHE A 91 10.695 8.063 -38.328 1.00 25.66 H new ATOM 0 HZ PHE A 91 10.656 6.897 -36.164 1.00 24.89 H new ATOM 1348 N VAL A 92 9.077 14.753 -35.328 1.00 27.61 N ATOM 1349 CA VAL A 92 8.941 16.142 -34.943 1.00 28.23 C ATOM 1350 C VAL A 92 9.855 16.475 -33.769 1.00 27.94 C ATOM 1351 O VAL A 92 9.602 16.049 -32.639 1.00 27.26 O ATOM 1352 CB VAL A 92 7.480 16.480 -34.562 1.00 28.37 C ATOM 1353 CG1 VAL A 92 7.310 17.964 -34.275 1.00 29.13 C ATOM 1354 CG2 VAL A 92 6.515 16.032 -35.654 1.00 28.67 C ATOM 0 H VAL A 92 8.712 14.083 -34.651 1.00 27.61 H new ATOM 0 HA VAL A 92 9.229 16.743 -35.806 1.00 28.23 H new ATOM 0 HB VAL A 92 7.245 15.933 -33.649 1.00 28.37 H new ATOM 0 HG11 VAL A 92 6.272 18.167 -34.011 1.00 29.13 H new ATOM 0 HG12 VAL A 92 7.958 18.251 -33.447 1.00 29.13 H new ATOM 0 HG13 VAL A 92 7.578 18.539 -35.161 1.00 29.13 H new ATOM 0 HG21 VAL A 92 5.495 16.281 -35.362 1.00 28.67 H new ATOM 0 HG22 VAL A 92 6.760 16.540 -36.587 1.00 28.67 H new ATOM 0 HG23 VAL A 92 6.600 14.954 -35.795 1.00 28.67 H new ATOM 1364 N ASP A 93 10.956 17.164 -34.057 1.00 28.50 N ATOM 1365 CA ASP A 93 11.838 17.664 -32.998 1.00 28.42 C ATOM 1366 C ASP A 93 11.124 18.829 -32.320 1.00 28.86 C ATOM 1367 O ASP A 93 11.314 19.979 -32.709 1.00 29.70 O ATOM 1368 CB ASP A 93 13.197 18.158 -33.548 1.00 29.01 C ATOM 1369 CG ASP A 93 14.279 17.090 -33.545 1.00 28.68 C ATOM 1370 OD1 ASP A 93 14.865 16.842 -32.468 1.00 28.33 O ATOM 1371 OD2 ASP A 93 14.571 16.522 -34.620 1.00 28.82 O ATOM 0 H ASP A 93 11.260 17.389 -35.004 1.00 28.50 H new ATOM 0 HA ASP A 93 12.048 16.850 -32.304 1.00 28.42 H new ATOM 0 HB2 ASP A 93 13.058 18.519 -34.567 1.00 29.01 H new ATOM 0 HB3 ASP A 93 13.534 19.006 -32.952 1.00 29.01 H new ATOM 1376 N HIS A 94 10.269 18.541 -31.336 1.00 28.36 N ATOM 1377 CA HIS A 94 9.450 19.580 -30.709 1.00 28.81 C ATOM 1378 C HIS A 94 10.291 20.486 -29.815 1.00 29.31 C ATOM 1379 O HIS A 94 9.786 21.449 -29.239 1.00 29.90 O ATOM 1380 CB HIS A 94 8.289 18.961 -29.918 1.00 28.18 C ATOM 1381 CG HIS A 94 7.154 19.907 -29.688 1.00 28.49 C ATOM 1382 ND1 HIS A 94 6.785 20.371 -28.444 1.00 28.32 N ATOM 1383 CD2 HIS A 94 6.316 20.494 -30.569 1.00 29.05 C ATOM 1384 CE1 HIS A 94 5.768 21.202 -28.571 1.00 28.75 C ATOM 1385 NE2 HIS A 94 5.463 21.292 -29.849 1.00 29.20 N ATOM 0 H HIS A 94 10.126 17.604 -30.959 1.00 28.36 H new ATOM 0 HA HIS A 94 9.030 20.194 -31.506 1.00 28.81 H new ATOM 0 HB2 HIS A 94 7.920 18.086 -30.454 1.00 28.18 H new ATOM 0 HB3 HIS A 94 8.661 18.611 -28.955 1.00 28.18 H new ATOM 0 HD2 HIS A 94 6.317 20.360 -31.641 1.00 29.05 H new ATOM 0 HE1 HIS A 94 5.271 21.720 -27.764 1.00 28.75 H new ATOM 0 HE2 HIS A 94 4.714 21.863 -30.240 1.00 29.20 H new ATOM 1394 N ASN A 95 11.574 20.174 -29.703 1.00 29.17 N ATOM 1395 CA ASN A 95 12.497 21.021 -28.956 1.00 29.71 C ATOM 1396 C ASN A 95 12.819 22.272 -29.771 1.00 30.73 C ATOM 1397 O ASN A 95 13.142 23.325 -29.217 1.00 31.42 O ATOM 1398 CB ASN A 95 13.787 20.258 -28.591 1.00 29.28 C ATOM 1399 CG ASN A 95 14.579 19.811 -29.807 1.00 29.19 C ATOM 1400 OD1 ASN A 95 15.408 20.553 -30.323 1.00 29.80 O ATOM 1401 ND2 ASN A 95 14.343 18.584 -30.259 1.00 28.49 N ATOM 0 H ASN A 95 12.000 19.345 -30.117 1.00 29.17 H new ATOM 0 HA ASN A 95 12.019 21.317 -28.022 1.00 29.71 H new ATOM 0 HB2 ASN A 95 14.416 20.896 -27.970 1.00 29.28 H new ATOM 0 HB3 ASN A 95 13.528 19.385 -27.992 1.00 29.28 H new ATOM 0 HD21 ASN A 95 14.860 18.229 -31.063 1.00 28.49 H new ATOM 0 HD22 ASN A 95 13.645 17.998 -29.802 1.00 28.49 H new ATOM 1408 N THR A 96 12.730 22.150 -31.094 1.00 30.87 N ATOM 1409 CA THR A 96 12.925 23.283 -31.988 1.00 31.86 C ATOM 1410 C THR A 96 11.661 23.519 -32.811 1.00 32.23 C ATOM 1411 O THR A 96 11.560 24.493 -33.555 1.00 33.14 O ATOM 1412 CB THR A 96 14.126 23.055 -32.929 1.00 31.96 C ATOM 1413 OG1 THR A 96 14.060 21.732 -33.479 1.00 31.19 O ATOM 1414 CG2 THR A 96 15.442 23.235 -32.188 1.00 32.02 C ATOM 0 H THR A 96 12.523 21.272 -31.570 1.00 30.87 H new ATOM 0 HA THR A 96 13.134 24.162 -31.378 1.00 31.86 H new ATOM 0 HB THR A 96 14.080 23.792 -33.731 1.00 31.96 H new ATOM 0 HG1 THR A 96 13.614 21.762 -34.351 1.00 31.19 H new ATOM 0 HG21 THR A 96 16.272 23.069 -32.875 1.00 32.02 H new ATOM 0 HG22 THR A 96 15.499 24.248 -31.788 1.00 32.02 H new ATOM 0 HG23 THR A 96 15.499 22.518 -31.369 1.00 32.02 H new ATOM 1422 N ARG A 97 10.705 22.590 -32.665 1.00 31.56 N ATOM 1423 CA ARG A 97 9.397 22.652 -33.338 1.00 31.87 C ATOM 1424 C ARG A 97 9.555 22.531 -34.836 1.00 32.27 C ATOM 1425 O ARG A 97 8.738 23.019 -35.612 1.00 33.03 O ATOM 1426 CB ARG A 97 8.670 23.938 -32.982 1.00 32.70 C ATOM 1427 CG ARG A 97 8.616 24.171 -31.492 1.00 32.43 C ATOM 1428 CD ARG A 97 7.812 25.416 -31.154 1.00 33.36 C ATOM 1429 NE ARG A 97 6.428 25.300 -31.615 1.00 33.97 N ATOM 1430 CZ ARG A 97 5.426 26.066 -31.182 1.00 34.73 C ATOM 1431 NH1 ARG A 97 5.652 27.060 -30.332 1.00 35.00 N ATOM 1432 NH2 ARG A 97 4.197 25.845 -31.620 1.00 35.29 N ATOM 0 H ARG A 97 10.818 21.768 -32.072 1.00 31.56 H new ATOM 0 HA ARG A 97 8.799 21.810 -32.989 1.00 31.87 H new ATOM 0 HB2 ARG A 97 9.169 24.780 -33.461 1.00 32.70 H new ATOM 0 HB3 ARG A 97 7.655 23.901 -33.379 1.00 32.70 H new ATOM 0 HG2 ARG A 97 8.171 23.305 -31.003 1.00 32.43 H new ATOM 0 HG3 ARG A 97 9.628 24.273 -31.101 1.00 32.43 H new ATOM 0 HD2 ARG A 97 7.826 25.578 -30.076 1.00 33.36 H new ATOM 0 HD3 ARG A 97 8.278 26.288 -31.613 1.00 33.36 H new ATOM 0 HE ARG A 97 6.216 24.587 -32.313 1.00 33.97 H new ATOM 0 HH11 ARG A 97 6.600 27.244 -30.003 1.00 35.00 H new ATOM 0 HH12 ARG A 97 4.878 27.639 -30.007 1.00 35.00 H new ATOM 0 HH21 ARG A 97 4.020 25.092 -32.285 1.00 35.29 H new ATOM 0 HH22 ARG A 97 3.426 26.428 -31.292 1.00 35.29 H new ATOM 1446 N THR A 98 10.560 21.792 -35.219 1.00 31.75 N ATOM 1447 CA THR A 98 10.855 21.587 -36.627 1.00 32.09 C ATOM 1448 C THR A 98 10.465 20.169 -37.058 1.00 31.35 C ATOM 1449 O THR A 98 10.452 19.250 -36.234 1.00 30.48 O ATOM 1450 CB THR A 98 12.356 21.816 -36.905 1.00 32.35 C ATOM 1451 OG1 THR A 98 13.142 21.130 -35.920 1.00 32.15 O ATOM 1452 CG2 THR A 98 12.696 23.304 -36.882 1.00 32.59 C ATOM 0 H THR A 98 11.196 21.316 -34.579 1.00 31.75 H new ATOM 0 HA THR A 98 10.272 22.307 -37.202 1.00 32.09 H new ATOM 0 HB THR A 98 12.583 21.424 -37.897 1.00 32.35 H new ATOM 0 HG1 THR A 98 14.094 21.277 -36.101 1.00 32.15 H new ATOM 0 HG21 THR A 98 13.759 23.437 -37.081 1.00 32.59 H new ATOM 0 HG22 THR A 98 12.116 23.822 -37.646 1.00 32.59 H new ATOM 0 HG23 THR A 98 12.455 23.717 -35.902 1.00 32.59 H new ATOM 1460 N THR A 99 10.151 19.986 -38.341 1.00 31.74 N ATOM 1461 CA THR A 99 9.812 18.661 -38.855 1.00 31.18 C ATOM 1462 C THR A 99 11.075 18.032 -39.445 1.00 31.15 C ATOM 1463 O THR A 99 11.694 18.609 -40.343 1.00 31.92 O ATOM 1464 CB THR A 99 8.691 18.721 -39.937 1.00 31.73 C ATOM 1465 OG1 THR A 99 8.958 19.781 -40.869 1.00 32.77 O ATOM 1466 CG2 THR A 99 7.296 18.935 -39.310 1.00 31.59 C ATOM 0 H THR A 99 10.125 20.731 -39.037 1.00 31.74 H new ATOM 0 HA THR A 99 9.429 18.057 -38.032 1.00 31.18 H new ATOM 0 HB THR A 99 8.689 17.761 -40.454 1.00 31.73 H new ATOM 0 HG1 THR A 99 9.921 19.827 -41.045 1.00 32.77 H new ATOM 0 HG21 THR A 99 6.544 18.971 -40.099 1.00 31.59 H new ATOM 0 HG22 THR A 99 7.072 18.112 -38.632 1.00 31.59 H new ATOM 0 HG23 THR A 99 7.286 19.874 -38.756 1.00 31.59 H new ATOM 1474 N THR A 100 11.489 16.880 -38.936 1.00 30.32 N ATOM 1475 CA THR A 100 12.731 16.285 -39.373 1.00 30.31 C ATOM 1476 C THR A 100 12.503 14.867 -39.877 1.00 29.79 C ATOM 1477 O THR A 100 11.486 14.240 -39.575 1.00 29.19 O ATOM 1478 CB THR A 100 13.776 16.274 -38.225 1.00 29.94 C ATOM 1479 OG1 THR A 100 15.097 16.080 -38.749 1.00 30.23 O ATOM 1480 CG2 THR A 100 13.474 15.174 -37.211 1.00 28.90 C ATOM 0 H THR A 100 10.984 16.348 -38.227 1.00 30.32 H new ATOM 0 HA THR A 100 13.118 16.892 -40.192 1.00 30.31 H new ATOM 0 HB THR A 100 13.719 17.240 -37.724 1.00 29.94 H new ATOM 0 HG1 THR A 100 15.697 16.763 -38.384 1.00 30.23 H new ATOM 0 HG21 THR A 100 14.224 15.193 -36.420 1.00 28.90 H new ATOM 0 HG22 THR A 100 12.487 15.338 -36.779 1.00 28.90 H new ATOM 0 HG23 THR A 100 13.496 14.204 -37.709 1.00 28.90 H new ATOM 1488 N PHE A 101 13.423 14.394 -40.696 1.00 30.11 N ATOM 1489 CA PHE A 101 13.373 13.036 -41.191 1.00 29.74 C ATOM 1490 C PHE A 101 14.573 12.271 -40.657 1.00 29.28 C ATOM 1491 O PHE A 101 15.683 12.406 -41.167 1.00 29.75 O ATOM 1492 CB PHE A 101 13.354 13.008 -42.722 1.00 30.55 C ATOM 1493 CG PHE A 101 12.017 13.348 -43.312 1.00 30.86 C ATOM 1494 CD1 PHE A 101 11.172 12.344 -43.749 1.00 30.67 C ATOM 1495 CD2 PHE A 101 11.609 14.664 -43.432 1.00 31.41 C ATOM 1496 CE1 PHE A 101 9.946 12.644 -44.303 1.00 31.03 C ATOM 1497 CE2 PHE A 101 10.382 14.974 -43.985 1.00 31.76 C ATOM 1498 CZ PHE A 101 9.547 13.962 -44.420 1.00 31.57 C ATOM 0 H PHE A 101 14.218 14.936 -41.033 1.00 30.11 H new ATOM 0 HA PHE A 101 12.454 12.563 -40.844 1.00 29.74 H new ATOM 0 HB2 PHE A 101 14.098 13.710 -43.099 1.00 30.55 H new ATOM 0 HB3 PHE A 101 13.651 12.016 -43.063 1.00 30.55 H new ATOM 0 HD1 PHE A 101 11.477 11.312 -43.655 1.00 30.67 H new ATOM 0 HD2 PHE A 101 12.257 15.458 -43.090 1.00 31.41 H new ATOM 0 HE1 PHE A 101 9.298 11.850 -44.645 1.00 31.03 H new ATOM 0 HE2 PHE A 101 10.075 16.005 -44.077 1.00 31.76 H new ATOM 0 HZ PHE A 101 8.585 14.201 -44.850 1.00 31.57 H new ATOM 1508 N LYS A 102 14.353 11.527 -39.585 1.00 28.42 N ATOM 1509 CA LYS A 102 15.410 10.748 -38.960 1.00 27.96 C ATOM 1510 C LYS A 102 14.903 9.359 -38.617 1.00 27.32 C ATOM 1511 O LYS A 102 14.102 9.189 -37.699 1.00 26.80 O ATOM 1512 CB LYS A 102 15.929 11.434 -37.689 1.00 27.61 C ATOM 1513 CG LYS A 102 16.850 12.623 -37.945 1.00 27.94 C ATOM 1514 CD LYS A 102 17.561 13.059 -36.667 1.00 27.68 C ATOM 1515 CE LYS A 102 16.627 13.774 -35.702 1.00 27.51 C ATOM 1516 NZ LYS A 102 16.493 15.220 -36.021 1.00 27.73 N ATOM 0 H LYS A 102 13.445 11.446 -39.127 1.00 28.42 H new ATOM 0 HA LYS A 102 16.233 10.671 -39.671 1.00 27.96 H new ATOM 0 HB2 LYS A 102 15.077 11.771 -37.099 1.00 27.61 H new ATOM 0 HB3 LYS A 102 16.463 10.699 -37.087 1.00 27.61 H new ATOM 0 HG2 LYS A 102 17.588 12.358 -38.702 1.00 27.94 H new ATOM 0 HG3 LYS A 102 16.270 13.456 -38.343 1.00 27.94 H new ATOM 0 HD2 LYS A 102 17.988 12.185 -36.175 1.00 27.68 H new ATOM 0 HD3 LYS A 102 18.390 13.718 -36.922 1.00 27.68 H new ATOM 0 HE2 LYS A 102 15.644 13.304 -35.734 1.00 27.51 H new ATOM 0 HE3 LYS A 102 17.002 13.661 -34.685 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 15.835 15.664 -35.349 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 17.423 15.679 -35.949 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 16.127 15.330 -36.988 1.00 27.73 H new ATOM 1530 N ASP A 103 15.328 8.378 -39.392 1.00 27.47 N ATOM 1531 CA ASP A 103 14.936 7.005 -39.166 1.00 26.99 C ATOM 1532 C ASP A 103 15.812 6.369 -38.102 1.00 26.66 C ATOM 1533 O ASP A 103 17.040 6.481 -38.145 1.00 27.04 O ATOM 1534 CB ASP A 103 15.020 6.216 -40.476 1.00 27.47 C ATOM 1535 CG ASP A 103 16.370 6.343 -41.166 1.00 27.51 C ATOM 1536 OD1 ASP A 103 17.180 5.399 -41.094 1.00 27.33 O ATOM 1537 OD2 ASP A 103 16.616 7.395 -41.804 1.00 27.82 O ATOM 0 H ASP A 103 15.950 8.512 -40.189 1.00 27.47 H new ATOM 0 HA ASP A 103 13.905 6.987 -38.811 1.00 26.99 H new ATOM 0 HB2 ASP A 103 14.821 5.164 -40.272 1.00 27.47 H new ATOM 0 HB3 ASP A 103 14.239 6.563 -41.153 1.00 27.47 H new ATOM 1542 N PRO A 104 15.185 5.776 -37.072 1.00 26.03 N ATOM 1543 CA PRO A 104 15.910 5.090 -36.007 1.00 25.74 C ATOM 1544 C PRO A 104 16.508 3.790 -36.522 1.00 26.01 C ATOM 1545 O PRO A 104 17.526 3.308 -36.021 1.00 25.99 O ATOM 1546 CB PRO A 104 14.831 4.795 -34.941 1.00 25.14 C ATOM 1547 CG PRO A 104 13.603 5.533 -35.378 1.00 25.07 C ATOM 1548 CD PRO A 104 13.730 5.742 -36.860 1.00 25.65 C ATOM 0 HA PRO A 104 16.737 5.684 -35.617 1.00 25.74 H new ATOM 0 HB2 PRO A 104 14.637 3.725 -34.868 1.00 25.14 H new ATOM 0 HB3 PRO A 104 15.156 5.128 -33.955 1.00 25.14 H new ATOM 0 HG2 PRO A 104 12.704 4.962 -35.143 1.00 25.07 H new ATOM 0 HG3 PRO A 104 13.519 6.487 -34.858 1.00 25.07 H new ATOM 0 HD2 PRO A 104 13.260 4.935 -37.422 1.00 25.65 H new ATOM 0 HD3 PRO A 104 13.255 6.670 -37.178 1.00 25.65 H new ATOM 1556 N ARG A 105 15.852 3.224 -37.524 1.00 26.35 N ATOM 1557 CA ARG A 105 16.312 2.002 -38.154 1.00 26.73 C ATOM 1558 C ARG A 105 16.823 2.338 -39.550 1.00 27.46 C ATOM 1559 O ARG A 105 16.048 2.809 -40.380 1.00 27.80 O ATOM 1560 CB ARG A 105 15.178 0.976 -38.233 1.00 26.76 C ATOM 1561 CG ARG A 105 14.608 0.576 -36.875 1.00 26.26 C ATOM 1562 CD ARG A 105 15.710 0.314 -35.855 1.00 25.68 C ATOM 1563 NE ARG A 105 15.219 -0.396 -34.676 1.00 25.63 N ATOM 1564 CZ ARG A 105 15.756 -0.303 -33.461 1.00 25.39 C ATOM 1565 NH1 ARG A 105 16.745 0.554 -33.211 1.00 25.18 N ATOM 1566 NH2 ARG A 105 15.298 -1.064 -32.483 1.00 25.45 N ATOM 0 H ARG A 105 14.990 3.599 -37.920 1.00 26.35 H new ATOM 0 HA ARG A 105 17.115 1.565 -37.561 1.00 26.73 H new ATOM 0 HB2 ARG A 105 14.375 1.384 -38.847 1.00 26.76 H new ATOM 0 HB3 ARG A 105 15.544 0.083 -38.739 1.00 26.76 H new ATOM 0 HG2 ARG A 105 13.953 1.367 -36.508 1.00 26.26 H new ATOM 0 HG3 ARG A 105 13.996 -0.319 -36.987 1.00 26.26 H new ATOM 0 HD2 ARG A 105 16.503 -0.269 -36.323 1.00 25.68 H new ATOM 0 HD3 ARG A 105 16.150 1.263 -35.548 1.00 25.68 H new ATOM 0 HE ARG A 105 14.409 -1.005 -34.792 1.00 25.63 H new ATOM 0 HH11 ARG A 105 17.102 1.152 -33.956 1.00 25.18 H new ATOM 0 HH12 ARG A 105 17.145 0.612 -32.274 1.00 25.18 H new ATOM 0 HH21 ARG A 105 14.536 -1.719 -32.660 1.00 25.45 H new ATOM 0 HH22 ARG A 105 15.706 -0.997 -31.551 1.00 25.45 H new ATOM 1580 N PRO A 106 18.101 2.034 -39.862 1.00 27.81 N ATOM 1581 CA PRO A 106 18.713 2.471 -41.121 1.00 28.58 C ATOM 1582 C PRO A 106 18.059 1.852 -42.347 1.00 29.15 C ATOM 1583 O PRO A 106 17.990 0.626 -42.478 1.00 29.20 O ATOM 1584 CB PRO A 106 20.174 2.011 -40.996 1.00 28.76 C ATOM 1585 CG PRO A 106 20.137 0.879 -40.031 1.00 28.29 C ATOM 1586 CD PRO A 106 19.006 1.163 -39.082 1.00 27.58 C ATOM 0 HA PRO A 106 18.602 3.546 -41.264 1.00 28.58 H new ATOM 0 HB2 PRO A 106 20.573 1.696 -41.960 1.00 28.76 H new ATOM 0 HB3 PRO A 106 20.813 2.817 -40.635 1.00 28.76 H new ATOM 0 HG2 PRO A 106 19.980 -0.067 -40.549 1.00 28.29 H new ATOM 0 HG3 PRO A 106 21.082 0.796 -39.494 1.00 28.29 H new ATOM 0 HD2 PRO A 106 18.507 0.246 -38.769 1.00 27.58 H new ATOM 0 HD3 PRO A 106 19.358 1.659 -38.178 1.00 27.58 H new ATOM 1594 N GLY A 107 17.501 2.703 -43.200 1.00 29.63 N ATOM 1595 CA GLY A 107 16.904 2.244 -44.441 1.00 30.26 C ATOM 1596 C GLY A 107 15.467 1.763 -44.278 1.00 30.07 C ATOM 1597 O GLY A 107 14.645 1.982 -45.167 1.00 30.61 O ATOM 0 H GLY A 107 17.451 3.711 -43.053 1.00 29.63 H new ATOM 0 HA2 GLY A 107 16.928 3.055 -45.169 1.00 30.26 H new ATOM 0 HA3 GLY A 107 17.507 1.432 -44.848 1.00 30.26 H new ATOM 1601 N PHE A 108 15.158 1.140 -43.129 1.00 29.36 N ATOM 1602 CA PHE A 108 13.805 0.590 -42.873 1.00 29.20 C ATOM 1603 C PHE A 108 13.389 -0.430 -43.945 1.00 29.85 C ATOM 1604 O PHE A 108 12.208 -0.756 -44.069 1.00 30.10 O ATOM 1605 CB PHE A 108 12.781 1.721 -42.805 1.00 29.02 C ATOM 1606 CG PHE A 108 12.265 1.984 -41.413 1.00 28.90 C ATOM 1607 CD1 PHE A 108 12.909 2.878 -40.571 1.00 29.07 C ATOM 1608 CD2 PHE A 108 11.127 1.333 -40.950 1.00 28.70 C ATOM 1609 CE1 PHE A 108 12.433 3.116 -39.296 1.00 29.04 C ATOM 1610 CE2 PHE A 108 10.648 1.570 -39.673 1.00 28.68 C ATOM 1611 CZ PHE A 108 11.302 2.464 -38.846 1.00 28.85 C ATOM 0 H PHE A 108 15.818 1.002 -42.364 1.00 29.36 H new ATOM 0 HA PHE A 108 13.838 0.070 -41.915 1.00 29.20 H new ATOM 0 HB2 PHE A 108 13.233 2.633 -43.194 1.00 29.02 H new ATOM 0 HB3 PHE A 108 11.941 1.479 -43.455 1.00 29.02 H new ATOM 0 HD1 PHE A 108 13.793 3.394 -40.916 1.00 29.07 H new ATOM 0 HD2 PHE A 108 10.611 0.635 -41.593 1.00 28.70 H new ATOM 0 HE1 PHE A 108 12.946 3.813 -38.650 1.00 29.04 H new ATOM 0 HE2 PHE A 108 9.764 1.057 -39.323 1.00 28.68 H new ATOM 0 HZ PHE A 108 10.929 2.652 -37.850 1.00 28.85 H new ATOM 1621 N GLU A 109 14.384 -0.969 -44.653 1.00 30.16 N ATOM 1622 CA GLU A 109 14.170 -1.967 -45.705 1.00 30.84 C ATOM 1623 C GLU A 109 13.364 -1.375 -46.868 1.00 31.39 C ATOM 1624 O GLU A 109 12.139 -1.604 -46.932 1.00 31.70 O ATOM 1625 CB GLU A 109 13.477 -3.214 -45.134 1.00 30.99 C ATOM 1626 CG GLU A 109 13.307 -4.361 -46.127 1.00 31.54 C ATOM 1627 CD GLU A 109 14.625 -4.938 -46.611 1.00 31.75 C ATOM 1628 OE1 GLU A 109 15.059 -4.595 -47.732 1.00 32.01 O ATOM 1629 OE2 GLU A 109 15.225 -5.753 -45.879 1.00 31.74 O ATOM 1630 OXT GLU A 109 13.968 -0.686 -47.719 1.00 31.58 O ATOM 0 H GLU A 109 15.364 -0.725 -44.513 1.00 30.16 H new ATOM 0 HA GLU A 109 15.144 -2.266 -46.093 1.00 30.84 H new ATOM 0 HB2 GLU A 109 14.051 -3.573 -44.280 1.00 30.99 H new ATOM 0 HB3 GLU A 109 12.494 -2.927 -44.759 1.00 30.99 H new ATOM 0 HG2 GLU A 109 12.722 -5.153 -45.660 1.00 31.54 H new ATOM 0 HG3 GLU A 109 12.736 -4.007 -46.986 1.00 31.54 H new TER 1637 GLU A 109