USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 863 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 34 TYR OH : rot 30:sc= -0.98 USER MOD Set 1.2: A 102 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0899) USER MOD Set 2.1: A 10 SER OG : rot 169:sc= 0.995 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.315 K(o=1.3,f=-0.27) USER MOD Set 3.1: A 4 CYS SG : rot 180:sc= 0.577 USER MOD Set 3.2: A 64 THR OG1 : rot -59:sc= 1.38 USER MOD Single : A 1 MET CE :methyl -101:sc= -11.3! (180deg=-15.2!) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.00163 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 114:sc= 0.642 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 120:sc= -0.761 USER MOD Single : A 8 ASN : amide:sc= -1.81 K(o=-1.8,f=-6.2!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 37:sc= 0.00389 USER MOD Single : A 23 MET CE :methyl 171:sc= 0 (180deg=-0.0333) USER MOD Single : A 29 SER OG : rot -36:sc= 1.81 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.33) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -128:sc= -2.12 (180deg=-5.72!) USER MOD Single : A 46 MET CE :methyl -149:sc= 0 (180deg=-0.00465) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0689) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0297 (180deg=-0.289) USER MOD Single : A 77 MET CE :methyl -141:sc= -1.68 (180deg=-6.02!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -119:sc= -7.35! (180deg=-10.3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0563) USER MOD Single : A 95 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.0447 K(o=-0.045,f=-1.9) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.629 -0.580 0.913 1.00 4.42 N ATOM 2 CA MET A 1 2.363 -0.125 -0.262 1.00 3.30 C ATOM 3 C MET A 1 3.724 -0.808 -0.351 1.00 43.30 C ATOM 4 O MET A 1 4.307 -1.189 0.665 1.00 44.24 O ATOM 5 CB MET A 1 2.543 1.394 -0.221 1.00 25.01 C ATOM 6 CG MET A 1 1.991 2.105 -1.446 1.00 31.14 C ATOM 7 SD MET A 1 3.095 3.392 -2.059 1.00 20.31 S ATOM 8 CE MET A 1 4.635 2.486 -2.181 1.00 45.02 C ATOM 0 H1 MET A 1 0.887 0.110 1.148 1.00 4.42 H new ATOM 0 H2 MET A 1 1.193 -1.503 0.714 1.00 4.42 H new ATOM 0 H3 MET A 1 2.283 -0.672 1.716 1.00 4.42 H new ATOM 0 HA MET A 1 1.784 -0.391 -1.147 1.00 3.30 H new ATOM 0 HB2 MET A 1 2.051 1.786 0.669 1.00 25.01 H new ATOM 0 HB3 MET A 1 3.604 1.623 -0.125 1.00 25.01 H new ATOM 0 HG2 MET A 1 1.816 1.375 -2.237 1.00 31.14 H new ATOM 0 HG3 MET A 1 1.025 2.547 -1.200 1.00 31.14 H new ATOM 0 HE1 MET A 1 5.264 2.721 -1.323 1.00 45.02 H new ATOM 0 HE2 MET A 1 4.427 1.416 -2.197 1.00 45.02 H new ATOM 0 HE3 MET A 1 5.152 2.769 -3.098 1.00 45.02 H new ATOM 18 N THR A 2 4.226 -0.960 -1.573 1.00 24.24 N ATOM 19 CA THR A 2 5.518 -1.598 -1.794 1.00 73.40 C ATOM 20 C THR A 2 6.583 -0.572 -2.162 1.00 13.42 C ATOM 21 O THR A 2 6.392 0.238 -3.071 1.00 31.35 O ATOM 22 CB THR A 2 5.437 -2.659 -2.908 1.00 54.34 C ATOM 23 OG1 THR A 2 4.107 -3.185 -2.988 1.00 24.54 O ATOM 24 CG2 THR A 2 6.421 -3.790 -2.652 1.00 42.41 C ATOM 0 H THR A 2 3.757 -0.650 -2.424 1.00 24.24 H new ATOM 0 HA THR A 2 5.794 -2.084 -0.858 1.00 73.40 H new ATOM 0 HB THR A 2 5.696 -2.182 -3.853 1.00 54.34 H new ATOM 0 HG1 THR A 2 3.704 -2.927 -3.843 1.00 24.54 H new ATOM 0 HG21 THR A 2 6.345 -4.526 -3.452 1.00 42.41 H new ATOM 0 HG22 THR A 2 7.435 -3.390 -2.622 1.00 42.41 H new ATOM 0 HG23 THR A 2 6.190 -4.265 -1.699 1.00 42.41 H new ATOM 32 N LEU A 3 7.705 -0.610 -1.452 1.00 14.35 N ATOM 33 CA LEU A 3 8.802 0.318 -1.704 1.00 71.01 C ATOM 34 C LEU A 3 10.074 -0.434 -2.082 1.00 3.42 C ATOM 35 O LEU A 3 10.474 -1.379 -1.401 1.00 74.44 O ATOM 36 CB LEU A 3 9.056 1.186 -0.471 1.00 11.25 C ATOM 37 CG LEU A 3 8.886 2.693 -0.664 1.00 41.41 C ATOM 38 CD1 LEU A 3 7.997 2.981 -1.864 1.00 64.33 C ATOM 39 CD2 LEU A 3 8.311 3.331 0.592 1.00 3.13 C ATOM 0 H LEU A 3 7.879 -1.273 -0.697 1.00 14.35 H new ATOM 0 HA LEU A 3 8.519 0.959 -2.539 1.00 71.01 H new ATOM 0 HB2 LEU A 3 8.381 0.863 0.321 1.00 11.25 H new ATOM 0 HB3 LEU A 3 10.071 0.997 -0.121 1.00 11.25 H new ATOM 0 HG LEU A 3 9.868 3.128 -0.852 1.00 41.41 H new ATOM 0 HD11 LEU A 3 7.888 4.059 -1.985 1.00 64.33 H new ATOM 0 HD12 LEU A 3 8.449 2.559 -2.761 1.00 64.33 H new ATOM 0 HD13 LEU A 3 7.016 2.532 -1.706 1.00 64.33 H new ATOM 0 HD21 LEU A 3 8.197 4.404 0.436 1.00 3.13 H new ATOM 0 HD22 LEU A 3 7.338 2.891 0.811 1.00 3.13 H new ATOM 0 HD23 LEU A 3 8.985 3.156 1.430 1.00 3.13 H new ATOM 51 N CYS A 4 10.707 -0.006 -3.168 1.00 43.44 N ATOM 52 CA CYS A 4 11.936 -0.637 -3.636 1.00 61.30 C ATOM 53 C CYS A 4 13.085 0.366 -3.668 1.00 32.51 C ATOM 54 O CYS A 4 12.865 1.575 -3.711 1.00 54.52 O ATOM 55 CB CYS A 4 11.728 -1.237 -5.027 1.00 61.33 C ATOM 56 SG CYS A 4 11.987 -0.068 -6.382 1.00 23.02 S ATOM 0 H CYS A 4 10.390 0.776 -3.741 1.00 43.44 H new ATOM 0 HA CYS A 4 12.194 -1.434 -2.939 1.00 61.30 H new ATOM 0 HB2 CYS A 4 12.408 -2.079 -5.153 1.00 61.33 H new ATOM 0 HB3 CYS A 4 10.715 -1.633 -5.092 1.00 61.33 H new ATOM 0 HG CYS A 4 11.790 -0.669 -7.518 1.00 23.02 H new ATOM 62 N ALA A 5 14.311 -0.146 -3.645 1.00 20.43 N ATOM 63 CA ALA A 5 15.495 0.704 -3.671 1.00 55.13 C ATOM 64 C ALA A 5 16.578 0.109 -4.564 1.00 41.33 C ATOM 65 O ALA A 5 16.749 -1.108 -4.622 1.00 31.13 O ATOM 66 CB ALA A 5 16.026 0.913 -2.261 1.00 40.20 C ATOM 0 H ALA A 5 14.510 -1.146 -3.608 1.00 20.43 H new ATOM 0 HA ALA A 5 15.209 1.670 -4.086 1.00 55.13 H new ATOM 0 HB1 ALA A 5 16.910 1.550 -2.296 1.00 40.20 H new ATOM 0 HB2 ALA A 5 15.259 1.390 -1.650 1.00 40.20 H new ATOM 0 HB3 ALA A 5 16.290 -0.051 -1.825 1.00 40.20 H new ATOM 72 N MET A 6 17.307 0.976 -5.260 1.00 11.01 N ATOM 73 CA MET A 6 18.375 0.535 -6.150 1.00 15.00 C ATOM 74 C MET A 6 19.736 0.988 -5.632 1.00 51.43 C ATOM 75 O MET A 6 19.963 2.179 -5.414 1.00 34.45 O ATOM 76 CB MET A 6 18.147 1.077 -7.562 1.00 54.13 C ATOM 77 CG MET A 6 18.110 2.595 -7.632 1.00 15.20 C ATOM 78 SD MET A 6 17.434 3.203 -9.190 1.00 24.34 S ATOM 79 CE MET A 6 18.819 2.922 -10.291 1.00 12.10 C ATOM 0 H MET A 6 17.178 1.987 -5.225 1.00 11.01 H new ATOM 0 HA MET A 6 18.362 -0.554 -6.181 1.00 15.00 H new ATOM 0 HB2 MET A 6 18.939 0.711 -8.215 1.00 54.13 H new ATOM 0 HB3 MET A 6 17.207 0.681 -7.947 1.00 54.13 H new ATOM 0 HG2 MET A 6 17.511 2.978 -6.806 1.00 15.20 H new ATOM 0 HG3 MET A 6 19.119 2.985 -7.501 1.00 15.20 H new ATOM 0 HE1 MET A 6 18.556 3.248 -11.297 1.00 12.10 H new ATOM 0 HE2 MET A 6 19.683 3.487 -9.940 1.00 12.10 H new ATOM 0 HE3 MET A 6 19.062 1.860 -10.306 1.00 12.10 H new ATOM 89 N TYR A 7 20.638 0.033 -5.438 1.00 60.13 N ATOM 90 CA TYR A 7 21.976 0.334 -4.944 1.00 1.24 C ATOM 91 C TYR A 7 23.040 -0.117 -5.940 1.00 33.42 C ATOM 92 O TYR A 7 22.895 -1.149 -6.594 1.00 22.33 O ATOM 93 CB TYR A 7 22.207 -0.343 -3.592 1.00 23.13 C ATOM 94 CG TYR A 7 22.552 -1.811 -3.701 1.00 61.21 C ATOM 95 CD1 TYR A 7 21.558 -2.768 -3.863 1.00 73.14 C ATOM 96 CD2 TYR A 7 23.872 -2.242 -3.641 1.00 53.31 C ATOM 97 CE1 TYR A 7 21.868 -4.111 -3.963 1.00 53.31 C ATOM 98 CE2 TYR A 7 24.191 -3.582 -3.741 1.00 41.14 C ATOM 99 CZ TYR A 7 23.186 -4.512 -3.902 1.00 72.51 C ATOM 100 OH TYR A 7 23.500 -5.849 -4.001 1.00 12.41 O ATOM 0 H TYR A 7 20.467 -0.957 -5.615 1.00 60.13 H new ATOM 0 HA TYR A 7 22.055 1.414 -4.821 1.00 1.24 H new ATOM 0 HB2 TYR A 7 23.013 0.173 -3.070 1.00 23.13 H new ATOM 0 HB3 TYR A 7 21.310 -0.233 -2.982 1.00 23.13 H new ATOM 0 HD1 TYR A 7 20.525 -2.457 -3.912 1.00 73.14 H new ATOM 0 HD2 TYR A 7 24.662 -1.516 -3.514 1.00 53.31 H new ATOM 0 HE1 TYR A 7 21.083 -4.842 -4.088 1.00 53.31 H new ATOM 0 HE2 TYR A 7 25.222 -3.900 -3.693 1.00 41.14 H new ATOM 0 HH TYR A 7 24.081 -5.992 -4.777 1.00 12.41 H new ATOM 110 N ASN A 8 24.109 0.664 -6.048 1.00 41.45 N ATOM 111 CA ASN A 8 25.199 0.346 -6.964 1.00 55.24 C ATOM 112 C ASN A 8 26.515 0.190 -6.210 1.00 63.40 C ATOM 113 O ASN A 8 26.815 0.961 -5.298 1.00 20.52 O ATOM 114 CB ASN A 8 25.334 1.438 -8.028 1.00 32.11 C ATOM 115 CG ASN A 8 26.003 2.688 -7.491 1.00 45.10 C ATOM 116 OD1 ASN A 8 25.335 3.635 -7.077 1.00 55.11 O ATOM 117 ND2 ASN A 8 27.331 2.696 -7.496 1.00 44.40 N ATOM 0 H ASN A 8 24.244 1.522 -5.513 1.00 41.45 H new ATOM 0 HA ASN A 8 24.966 -0.601 -7.452 1.00 55.24 H new ATOM 0 HB2 ASN A 8 25.911 1.053 -8.869 1.00 32.11 H new ATOM 0 HB3 ASN A 8 24.346 1.694 -8.410 1.00 32.11 H new ATOM 0 HD21 ASN A 8 27.837 3.510 -7.147 1.00 44.40 H new ATOM 0 HD22 ASN A 8 27.845 1.888 -7.849 1.00 44.40 H new ATOM 124 N ILE A 9 27.297 -0.812 -6.597 1.00 62.44 N ATOM 125 CA ILE A 9 28.582 -1.069 -5.959 1.00 42.21 C ATOM 126 C ILE A 9 29.733 -0.861 -6.937 1.00 63.05 C ATOM 127 O ILE A 9 29.709 -1.370 -8.058 1.00 32.42 O ATOM 128 CB ILE A 9 28.655 -2.500 -5.395 1.00 10.02 C ATOM 129 CG1 ILE A 9 27.947 -3.479 -6.334 1.00 51.51 C ATOM 130 CG2 ILE A 9 28.040 -2.553 -4.004 1.00 51.03 C ATOM 131 CD1 ILE A 9 26.468 -3.625 -6.051 1.00 41.55 C ATOM 0 H ILE A 9 27.063 -1.459 -7.350 1.00 62.44 H new ATOM 0 HA ILE A 9 28.673 -0.359 -5.137 1.00 42.21 H new ATOM 0 HB ILE A 9 29.702 -2.792 -5.320 1.00 10.02 H new ATOM 0 HG12 ILE A 9 28.081 -3.144 -7.363 1.00 51.51 H new ATOM 0 HG13 ILE A 9 28.423 -4.456 -6.253 1.00 51.51 H new ATOM 0 HG21 ILE A 9 28.099 -3.571 -3.619 1.00 51.03 H new ATOM 0 HG22 ILE A 9 28.584 -1.881 -3.340 1.00 51.03 H new ATOM 0 HG23 ILE A 9 26.996 -2.245 -4.056 1.00 51.03 H new ATOM 0 HD11 ILE A 9 26.031 -4.334 -6.754 1.00 41.55 H new ATOM 0 HD12 ILE A 9 26.326 -3.989 -5.034 1.00 41.55 H new ATOM 0 HD13 ILE A 9 25.979 -2.657 -6.161 1.00 41.55 H new ATOM 143 N SER A 10 30.742 -0.111 -6.506 1.00 13.45 N ATOM 144 CA SER A 10 31.902 0.166 -7.344 1.00 2.50 C ATOM 145 C SER A 10 33.148 -0.519 -6.791 1.00 1.42 C ATOM 146 O SER A 10 33.525 -0.308 -5.639 1.00 24.14 O ATOM 147 CB SER A 10 32.137 1.675 -7.443 1.00 64.15 C ATOM 148 OG SER A 10 30.941 2.395 -7.200 1.00 24.23 O ATOM 0 H SER A 10 30.779 0.316 -5.580 1.00 13.45 H new ATOM 0 HA SER A 10 31.703 -0.230 -8.340 1.00 2.50 H new ATOM 0 HB2 SER A 10 32.898 1.975 -6.723 1.00 64.15 H new ATOM 0 HB3 SER A 10 32.519 1.922 -8.433 1.00 64.15 H new ATOM 0 HG SER A 10 31.148 3.347 -7.095 1.00 24.23 H new ATOM 154 N MET A 11 33.782 -1.340 -7.622 1.00 3.55 N ATOM 155 CA MET A 11 34.987 -2.055 -7.217 1.00 33.33 C ATOM 156 C MET A 11 36.231 -1.206 -7.457 1.00 14.32 C ATOM 157 O MET A 11 37.342 -1.603 -7.107 1.00 73.05 O ATOM 158 CB MET A 11 35.102 -3.376 -7.980 1.00 73.12 C ATOM 159 CG MET A 11 35.316 -3.198 -9.474 1.00 41.54 C ATOM 160 SD MET A 11 33.802 -3.429 -10.426 1.00 0.31 S ATOM 161 CE MET A 11 34.285 -2.735 -12.005 1.00 22.01 C ATOM 0 H MET A 11 33.482 -1.527 -8.579 1.00 3.55 H new ATOM 0 HA MET A 11 34.913 -2.265 -6.150 1.00 33.33 H new ATOM 0 HB2 MET A 11 35.930 -3.953 -7.569 1.00 73.12 H new ATOM 0 HB3 MET A 11 34.196 -3.960 -7.818 1.00 73.12 H new ATOM 0 HG2 MET A 11 35.711 -2.200 -9.664 1.00 41.54 H new ATOM 0 HG3 MET A 11 36.068 -3.909 -9.817 1.00 41.54 H new ATOM 0 HE1 MET A 11 33.451 -2.805 -12.703 1.00 22.01 H new ATOM 0 HE2 MET A 11 34.561 -1.689 -11.873 1.00 22.01 H new ATOM 0 HE3 MET A 11 35.137 -3.288 -12.400 1.00 22.01 H new ATOM 171 N ALA A 12 36.036 -0.035 -8.055 1.00 72.21 N ATOM 172 CA ALA A 12 37.142 0.871 -8.340 1.00 32.50 C ATOM 173 C ALA A 12 36.655 2.121 -9.065 1.00 31.25 C ATOM 174 O ALA A 12 35.460 2.414 -9.083 1.00 61.54 O ATOM 175 CB ALA A 12 38.206 0.161 -9.164 1.00 50.23 C ATOM 0 H ALA A 12 35.122 0.308 -8.351 1.00 72.21 H new ATOM 0 HA ALA A 12 37.580 1.181 -7.391 1.00 32.50 H new ATOM 0 HB1 ALA A 12 39.026 0.849 -9.370 1.00 50.23 H new ATOM 0 HB2 ALA A 12 38.583 -0.698 -8.609 1.00 50.23 H new ATOM 0 HB3 ALA A 12 37.772 -0.178 -10.105 1.00 50.23 H new ATOM 181 N GLY A 13 37.589 2.856 -9.660 1.00 42.00 N ATOM 182 CA GLY A 13 37.235 4.067 -10.377 1.00 50.00 C ATOM 183 C GLY A 13 36.782 3.789 -11.797 1.00 22.14 C ATOM 184 O GLY A 13 37.178 4.488 -12.730 1.00 34.33 O ATOM 0 H GLY A 13 38.585 2.635 -9.658 1.00 42.00 H new ATOM 0 HA2 GLY A 13 36.440 4.584 -9.840 1.00 50.00 H new ATOM 0 HA3 GLY A 13 38.094 4.738 -10.398 1.00 50.00 H new ATOM 188 N SER A 14 35.952 2.764 -11.961 1.00 52.23 N ATOM 189 CA SER A 14 35.449 2.392 -13.278 1.00 62.44 C ATOM 190 C SER A 14 33.944 2.149 -13.237 1.00 34.54 C ATOM 191 O SER A 14 33.371 1.910 -12.173 1.00 12.32 O ATOM 192 CB SER A 14 36.166 1.138 -13.785 1.00 53.43 C ATOM 193 OG SER A 14 36.099 1.049 -15.198 1.00 43.30 O ATOM 0 H SER A 14 35.614 2.177 -11.199 1.00 52.23 H new ATOM 0 HA SER A 14 35.647 3.218 -13.962 1.00 62.44 H new ATOM 0 HB2 SER A 14 37.209 1.158 -13.468 1.00 53.43 H new ATOM 0 HB3 SER A 14 35.714 0.252 -13.340 1.00 53.43 H new ATOM 0 HG SER A 14 36.565 0.241 -15.497 1.00 43.30 H new ATOM 199 N HIS A 15 33.308 2.211 -14.402 1.00 72.43 N ATOM 200 CA HIS A 15 31.868 1.997 -14.500 1.00 63.24 C ATOM 201 C HIS A 15 31.401 0.968 -13.475 1.00 52.13 C ATOM 202 O HIS A 15 31.584 -0.238 -13.642 1.00 4.11 O ATOM 203 CB HIS A 15 31.495 1.536 -15.910 1.00 13.14 C ATOM 204 CG HIS A 15 30.081 1.854 -16.289 1.00 2.52 C ATOM 205 ND1 HIS A 15 29.046 0.952 -16.162 1.00 4.01 N ATOM 206 CD2 HIS A 15 29.533 2.985 -16.793 1.00 31.24 C ATOM 207 CE1 HIS A 15 27.923 1.513 -16.573 1.00 21.21 C ATOM 208 NE2 HIS A 15 28.191 2.747 -16.960 1.00 71.24 N ATOM 0 H HIS A 15 33.767 2.408 -15.292 1.00 72.43 H new ATOM 0 HA HIS A 15 31.369 2.943 -14.291 1.00 63.24 H new ATOM 0 HB2 HIS A 15 32.169 2.005 -16.627 1.00 13.14 H new ATOM 0 HB3 HIS A 15 31.649 0.460 -15.984 1.00 13.14 H new ATOM 0 HD2 HIS A 15 30.054 3.903 -17.021 1.00 31.24 H new ATOM 0 HE1 HIS A 15 26.951 1.043 -16.590 1.00 21.21 H new ATOM 0 HE2 HIS A 15 27.511 3.415 -17.324 1.00 71.24 H new ATOM 216 N PRO A 16 30.782 1.454 -12.389 1.00 24.55 N ATOM 217 CA PRO A 16 30.276 0.593 -11.315 1.00 62.01 C ATOM 218 C PRO A 16 29.071 -0.232 -11.753 1.00 52.21 C ATOM 219 O PRO A 16 28.639 -0.157 -12.904 1.00 71.40 O ATOM 220 CB PRO A 16 29.875 1.587 -10.223 1.00 4.34 C ATOM 221 CG PRO A 16 29.589 2.855 -10.951 1.00 4.24 C ATOM 222 CD PRO A 16 30.529 2.880 -12.124 1.00 62.22 C ATOM 0 HA PRO A 16 31.019 -0.137 -10.994 1.00 62.01 H new ATOM 0 HB2 PRO A 16 29.000 1.240 -9.674 1.00 4.34 H new ATOM 0 HB3 PRO A 16 30.676 1.720 -9.496 1.00 4.34 H new ATOM 0 HG2 PRO A 16 28.551 2.889 -11.282 1.00 4.24 H new ATOM 0 HG3 PRO A 16 29.747 3.719 -10.306 1.00 4.24 H new ATOM 0 HD2 PRO A 16 30.083 3.376 -12.986 1.00 62.22 H new ATOM 0 HD3 PRO A 16 31.450 3.415 -11.890 1.00 62.22 H new ATOM 230 N THR A 17 28.530 -1.019 -10.828 1.00 11.41 N ATOM 231 CA THR A 17 27.375 -1.858 -11.119 1.00 15.13 C ATOM 232 C THR A 17 26.161 -1.424 -10.304 1.00 60.34 C ATOM 233 O THR A 17 26.230 -1.310 -9.080 1.00 51.41 O ATOM 234 CB THR A 17 27.670 -3.341 -10.828 1.00 23.31 C ATOM 235 OG1 THR A 17 28.776 -3.785 -11.622 1.00 71.32 O ATOM 236 CG2 THR A 17 26.451 -4.203 -11.119 1.00 63.44 C ATOM 0 H THR A 17 28.874 -1.092 -9.871 1.00 11.41 H new ATOM 0 HA THR A 17 27.158 -1.740 -12.181 1.00 15.13 H new ATOM 0 HB THR A 17 27.919 -3.439 -9.771 1.00 23.31 H new ATOM 0 HG1 THR A 17 28.959 -4.729 -11.430 1.00 71.32 H new ATOM 0 HG21 THR A 17 26.684 -5.246 -10.906 1.00 63.44 H new ATOM 0 HG22 THR A 17 25.620 -3.881 -10.492 1.00 63.44 H new ATOM 0 HG23 THR A 17 26.175 -4.100 -12.168 1.00 63.44 H new ATOM 244 N THR A 18 25.048 -1.184 -10.991 1.00 62.41 N ATOM 245 CA THR A 18 23.819 -0.763 -10.331 1.00 51.14 C ATOM 246 C THR A 18 22.811 -1.904 -10.266 1.00 74.33 C ATOM 247 O THR A 18 22.707 -2.707 -11.194 1.00 52.35 O ATOM 248 CB THR A 18 23.175 0.435 -11.055 1.00 62.11 C ATOM 249 OG1 THR A 18 24.190 1.341 -11.500 1.00 44.45 O ATOM 250 CG2 THR A 18 22.205 1.163 -10.138 1.00 13.52 C ATOM 0 H THR A 18 24.973 -1.274 -12.004 1.00 62.41 H new ATOM 0 HA THR A 18 24.090 -0.464 -9.319 1.00 51.14 H new ATOM 0 HB THR A 18 22.623 0.058 -11.916 1.00 62.11 H new ATOM 0 HG1 THR A 18 23.773 2.099 -11.961 1.00 44.45 H new ATOM 0 HG21 THR A 18 21.763 2.005 -10.671 1.00 13.52 H new ATOM 0 HG22 THR A 18 21.417 0.478 -9.824 1.00 13.52 H new ATOM 0 HG23 THR A 18 22.739 1.529 -9.261 1.00 13.52 H new ATOM 258 N ILE A 19 22.069 -1.971 -9.165 1.00 44.35 N ATOM 259 CA ILE A 19 21.068 -3.014 -8.981 1.00 51.53 C ATOM 260 C ILE A 19 19.808 -2.456 -8.328 1.00 32.22 C ATOM 261 O ILE A 19 19.880 -1.589 -7.456 1.00 31.42 O ATOM 262 CB ILE A 19 21.611 -4.170 -8.121 1.00 14.44 C ATOM 263 CG1 ILE A 19 21.961 -5.370 -9.002 1.00 51.14 C ATOM 264 CG2 ILE A 19 20.593 -4.563 -7.060 1.00 62.42 C ATOM 265 CD1 ILE A 19 22.257 -6.630 -8.219 1.00 15.42 C ATOM 0 H ILE A 19 22.143 -1.315 -8.387 1.00 44.35 H new ATOM 0 HA ILE A 19 20.822 -3.395 -9.972 1.00 51.53 H new ATOM 0 HB ILE A 19 22.519 -3.835 -7.620 1.00 14.44 H new ATOM 0 HG12 ILE A 19 21.133 -5.562 -9.685 1.00 51.14 H new ATOM 0 HG13 ILE A 19 22.828 -5.120 -9.614 1.00 51.14 H new ATOM 0 HG21 ILE A 19 20.991 -5.381 -6.460 1.00 62.42 H new ATOM 0 HG22 ILE A 19 20.389 -3.707 -6.417 1.00 62.42 H new ATOM 0 HG23 ILE A 19 19.669 -4.883 -7.543 1.00 62.42 H new ATOM 0 HD11 ILE A 19 22.497 -7.439 -8.909 1.00 15.42 H new ATOM 0 HD12 ILE A 19 23.104 -6.456 -7.556 1.00 15.42 H new ATOM 0 HD13 ILE A 19 21.383 -6.905 -7.628 1.00 15.42 H new ATOM 277 N CYS A 20 18.655 -2.960 -8.753 1.00 70.44 N ATOM 278 CA CYS A 20 17.378 -2.514 -8.209 1.00 14.21 C ATOM 279 C CYS A 20 16.617 -3.678 -7.583 1.00 13.01 C ATOM 280 O CYS A 20 16.250 -4.633 -8.267 1.00 71.41 O ATOM 281 CB CYS A 20 16.531 -1.866 -9.305 1.00 52.21 C ATOM 282 SG CYS A 20 16.378 -2.862 -10.806 1.00 61.31 S ATOM 0 H CYS A 20 18.578 -3.678 -9.473 1.00 70.44 H new ATOM 0 HA CYS A 20 17.580 -1.776 -7.432 1.00 14.21 H new ATOM 0 HB2 CYS A 20 15.535 -1.668 -8.910 1.00 52.21 H new ATOM 0 HB3 CYS A 20 16.968 -0.902 -9.565 1.00 52.21 H new ATOM 0 HG CYS A 20 16.292 -4.119 -10.486 1.00 61.31 H new ATOM 288 N VAL A 21 16.384 -3.592 -6.277 1.00 32.11 N ATOM 289 CA VAL A 21 15.667 -4.639 -5.558 1.00 1.53 C ATOM 290 C VAL A 21 14.741 -4.045 -4.502 1.00 43.42 C ATOM 291 O VAL A 21 15.038 -3.004 -3.915 1.00 24.34 O ATOM 292 CB VAL A 21 16.640 -5.620 -4.878 1.00 3.23 C ATOM 293 CG1 VAL A 21 17.436 -6.391 -5.920 1.00 3.24 C ATOM 294 CG2 VAL A 21 17.568 -4.877 -3.928 1.00 61.11 C ATOM 0 H VAL A 21 16.681 -2.808 -5.695 1.00 32.11 H new ATOM 0 HA VAL A 21 15.073 -5.180 -6.295 1.00 1.53 H new ATOM 0 HB VAL A 21 16.060 -6.336 -4.296 1.00 3.23 H new ATOM 0 HG11 VAL A 21 18.118 -7.079 -5.421 1.00 3.24 H new ATOM 0 HG12 VAL A 21 16.753 -6.954 -6.556 1.00 3.24 H new ATOM 0 HG13 VAL A 21 18.008 -5.693 -6.531 1.00 3.24 H new ATOM 0 HG21 VAL A 21 18.249 -5.585 -3.456 1.00 61.11 H new ATOM 0 HG22 VAL A 21 18.143 -4.137 -4.485 1.00 61.11 H new ATOM 0 HG23 VAL A 21 16.978 -4.375 -3.161 1.00 61.11 H new ATOM 304 N VAL A 22 13.617 -4.713 -4.265 1.00 51.04 N ATOM 305 CA VAL A 22 12.647 -4.252 -3.279 1.00 21.51 C ATOM 306 C VAL A 22 13.221 -4.325 -1.869 1.00 3.45 C ATOM 307 O VAL A 22 14.128 -5.111 -1.596 1.00 73.11 O ATOM 308 CB VAL A 22 11.351 -5.082 -3.337 1.00 33.24 C ATOM 309 CG1 VAL A 22 10.699 -4.961 -4.706 1.00 3.22 C ATOM 310 CG2 VAL A 22 11.635 -6.538 -3.000 1.00 20.15 C ATOM 0 H VAL A 22 13.355 -5.576 -4.742 1.00 51.04 H new ATOM 0 HA VAL A 22 12.417 -3.215 -3.522 1.00 21.51 H new ATOM 0 HB VAL A 22 10.656 -4.690 -2.594 1.00 33.24 H new ATOM 0 HG11 VAL A 22 9.785 -5.554 -4.727 1.00 3.22 H new ATOM 0 HG12 VAL A 22 10.458 -3.916 -4.903 1.00 3.22 H new ATOM 0 HG13 VAL A 22 11.386 -5.325 -5.470 1.00 3.22 H new ATOM 0 HG21 VAL A 22 10.708 -7.110 -3.046 1.00 20.15 H new ATOM 0 HG22 VAL A 22 12.348 -6.945 -3.717 1.00 20.15 H new ATOM 0 HG23 VAL A 22 12.053 -6.604 -1.995 1.00 20.15 H new ATOM 320 N MET A 23 12.687 -3.499 -0.975 1.00 51.51 N ATOM 321 CA MET A 23 13.146 -3.470 0.409 1.00 55.00 C ATOM 322 C MET A 23 13.110 -4.866 1.022 1.00 21.23 C ATOM 323 O MET A 23 14.001 -5.242 1.784 1.00 20.42 O ATOM 324 CB MET A 23 12.282 -2.515 1.235 1.00 33.23 C ATOM 325 CG MET A 23 12.727 -2.392 2.684 1.00 72.24 C ATOM 326 SD MET A 23 11.351 -2.495 3.844 1.00 13.42 S ATOM 327 CE MET A 23 10.941 -4.235 3.731 1.00 4.33 C ATOM 0 H MET A 23 11.936 -2.841 -1.184 1.00 51.51 H new ATOM 0 HA MET A 23 14.177 -3.115 0.417 1.00 55.00 H new ATOM 0 HB2 MET A 23 12.302 -1.528 0.772 1.00 33.23 H new ATOM 0 HB3 MET A 23 11.248 -2.859 1.209 1.00 33.23 H new ATOM 0 HG2 MET A 23 13.445 -3.181 2.908 1.00 72.24 H new ATOM 0 HG3 MET A 23 13.243 -1.442 2.822 1.00 72.24 H new ATOM 0 HE1 MET A 23 10.217 -4.489 4.505 1.00 4.33 H new ATOM 0 HE2 MET A 23 10.514 -4.445 2.751 1.00 4.33 H new ATOM 0 HE3 MET A 23 11.843 -4.831 3.869 1.00 4.33 H new ATOM 337 N ASP A 24 12.076 -5.629 0.686 1.00 61.23 N ATOM 338 CA ASP A 24 11.925 -6.984 1.203 1.00 64.30 C ATOM 339 C ASP A 24 13.123 -7.848 0.821 1.00 63.21 C ATOM 340 O ASP A 24 13.574 -8.683 1.605 1.00 4.03 O ATOM 341 CB ASP A 24 10.637 -7.615 0.673 1.00 15.14 C ATOM 342 CG ASP A 24 10.371 -8.981 1.274 1.00 22.30 C ATOM 343 OD1 ASP A 24 9.883 -9.040 2.422 1.00 21.53 O ATOM 344 OD2 ASP A 24 10.651 -9.992 0.596 1.00 53.44 O ATOM 0 H ASP A 24 11.330 -5.332 0.058 1.00 61.23 H new ATOM 0 HA ASP A 24 11.872 -6.927 2.290 1.00 64.30 H new ATOM 0 HB2 ASP A 24 9.797 -6.956 0.891 1.00 15.14 H new ATOM 0 HB3 ASP A 24 10.699 -7.704 -0.412 1.00 15.14 H new ATOM 349 N ARG A 25 13.633 -7.642 -0.389 1.00 71.31 N ATOM 350 CA ARG A 25 14.777 -8.404 -0.876 1.00 52.20 C ATOM 351 C ARG A 25 16.071 -7.617 -0.693 1.00 24.34 C ATOM 352 O ARG A 25 17.166 -8.170 -0.798 1.00 24.33 O ATOM 353 CB ARG A 25 14.589 -8.760 -2.352 1.00 14.21 C ATOM 354 CG ARG A 25 13.450 -9.735 -2.603 1.00 23.33 C ATOM 355 CD ARG A 25 13.545 -10.358 -3.987 1.00 10.12 C ATOM 356 NE ARG A 25 13.286 -9.384 -5.044 1.00 32.21 N ATOM 357 CZ ARG A 25 12.066 -9.015 -5.420 1.00 5.31 C ATOM 358 NH1 ARG A 25 11.000 -9.535 -4.828 1.00 4.24 N ATOM 359 NH2 ARG A 25 11.912 -8.123 -6.390 1.00 12.30 N ATOM 0 H ARG A 25 13.272 -6.954 -1.050 1.00 71.31 H new ATOM 0 HA ARG A 25 14.844 -9.323 -0.293 1.00 52.20 H new ATOM 0 HB2 ARG A 25 14.405 -7.846 -2.917 1.00 14.21 H new ATOM 0 HB3 ARG A 25 15.515 -9.190 -2.734 1.00 14.21 H new ATOM 0 HG2 ARG A 25 13.469 -10.520 -1.847 1.00 23.33 H new ATOM 0 HG3 ARG A 25 12.497 -9.217 -2.501 1.00 23.33 H new ATOM 0 HD2 ARG A 25 14.538 -10.787 -4.124 1.00 10.12 H new ATOM 0 HD3 ARG A 25 12.830 -11.177 -4.066 1.00 10.12 H new ATOM 0 HE ARG A 25 14.085 -8.964 -5.519 1.00 32.21 H new ATOM 0 HH11 ARG A 25 11.115 -10.220 -4.081 1.00 4.24 H new ATOM 0 HH12 ARG A 25 10.065 -9.250 -5.119 1.00 4.24 H new ATOM 0 HH21 ARG A 25 12.730 -7.720 -6.847 1.00 12.30 H new ATOM 0 HH22 ARG A 25 10.976 -7.840 -6.679 1.00 12.30 H new ATOM 373 N PHE A 26 15.938 -6.324 -0.418 1.00 40.24 N ATOM 374 CA PHE A 26 17.097 -5.461 -0.222 1.00 12.52 C ATOM 375 C PHE A 26 17.908 -5.907 0.991 1.00 64.33 C ATOM 376 O PHE A 26 19.137 -5.971 0.940 1.00 25.03 O ATOM 377 CB PHE A 26 16.652 -4.007 -0.045 1.00 24.12 C ATOM 378 CG PHE A 26 17.796 -3.039 0.060 1.00 60.12 C ATOM 379 CD1 PHE A 26 18.866 -3.113 -0.817 1.00 61.33 C ATOM 380 CD2 PHE A 26 17.801 -2.055 1.035 1.00 52.33 C ATOM 381 CE1 PHE A 26 19.920 -2.224 -0.723 1.00 20.24 C ATOM 382 CE2 PHE A 26 18.852 -1.162 1.134 1.00 32.50 C ATOM 383 CZ PHE A 26 19.912 -1.247 0.253 1.00 3.14 C ATOM 0 H PHE A 26 15.039 -5.851 -0.326 1.00 40.24 H new ATOM 0 HA PHE A 26 17.729 -5.536 -1.107 1.00 12.52 H new ATOM 0 HB2 PHE A 26 16.022 -3.723 -0.888 1.00 24.12 H new ATOM 0 HB3 PHE A 26 16.038 -3.930 0.852 1.00 24.12 H new ATOM 0 HD1 PHE A 26 18.877 -3.874 -1.583 1.00 61.33 H new ATOM 0 HD2 PHE A 26 16.974 -1.984 1.726 1.00 52.33 H new ATOM 0 HE1 PHE A 26 20.749 -2.293 -1.412 1.00 20.24 H new ATOM 0 HE2 PHE A 26 18.844 -0.400 1.899 1.00 32.50 H new ATOM 0 HZ PHE A 26 20.734 -0.550 0.327 1.00 3.14 H new ATOM 393 N LEU A 27 17.213 -6.215 2.080 1.00 53.03 N ATOM 394 CA LEU A 27 17.867 -6.656 3.307 1.00 44.43 C ATOM 395 C LEU A 27 18.716 -7.898 3.055 1.00 33.13 C ATOM 396 O LEU A 27 19.878 -7.958 3.454 1.00 43.00 O ATOM 397 CB LEU A 27 16.825 -6.946 4.388 1.00 3.22 C ATOM 398 CG LEU A 27 15.680 -7.875 3.985 1.00 70.04 C ATOM 399 CD1 LEU A 27 15.939 -9.289 4.482 1.00 14.55 C ATOM 400 CD2 LEU A 27 14.355 -7.353 4.521 1.00 42.30 C ATOM 0 H LEU A 27 16.196 -6.167 2.139 1.00 53.03 H new ATOM 0 HA LEU A 27 18.522 -5.855 3.649 1.00 44.43 H new ATOM 0 HB2 LEU A 27 17.334 -7.382 5.248 1.00 3.22 H new ATOM 0 HB3 LEU A 27 16.399 -5.998 4.717 1.00 3.22 H new ATOM 0 HG LEU A 27 15.624 -7.899 2.897 1.00 70.04 H new ATOM 0 HD11 LEU A 27 15.113 -9.936 4.186 1.00 14.55 H new ATOM 0 HD12 LEU A 27 16.867 -9.663 4.048 1.00 14.55 H new ATOM 0 HD13 LEU A 27 16.023 -9.283 5.569 1.00 14.55 H new ATOM 0 HD21 LEU A 27 13.552 -8.027 4.224 1.00 42.30 H new ATOM 0 HD22 LEU A 27 14.399 -7.298 5.609 1.00 42.30 H new ATOM 0 HD23 LEU A 27 14.164 -6.360 4.115 1.00 42.30 H new ATOM 412 N GLU A 28 18.126 -8.886 2.390 1.00 61.32 N ATOM 413 CA GLU A 28 18.829 -10.127 2.084 1.00 2.33 C ATOM 414 C GLU A 28 19.927 -9.890 1.051 1.00 53.31 C ATOM 415 O GLU A 28 21.054 -10.359 1.208 1.00 72.01 O ATOM 416 CB GLU A 28 17.848 -11.182 1.569 1.00 12.33 C ATOM 417 CG GLU A 28 18.486 -12.539 1.325 1.00 11.12 C ATOM 418 CD GLU A 28 17.659 -13.415 0.404 1.00 22.12 C ATOM 419 OE1 GLU A 28 16.486 -13.684 0.735 1.00 13.24 O ATOM 420 OE2 GLU A 28 18.187 -13.832 -0.648 1.00 53.35 O ATOM 0 H GLU A 28 17.164 -8.852 2.053 1.00 61.32 H new ATOM 0 HA GLU A 28 19.290 -10.489 3.003 1.00 2.33 H new ATOM 0 HB2 GLU A 28 17.038 -11.295 2.290 1.00 12.33 H new ATOM 0 HB3 GLU A 28 17.401 -10.828 0.640 1.00 12.33 H new ATOM 0 HG2 GLU A 28 19.477 -12.398 0.893 1.00 11.12 H new ATOM 0 HG3 GLU A 28 18.623 -13.049 2.279 1.00 11.12 H new ATOM 427 N SER A 29 19.588 -9.158 -0.006 1.00 60.52 N ATOM 428 CA SER A 29 20.542 -8.862 -1.068 1.00 64.32 C ATOM 429 C SER A 29 21.784 -8.177 -0.507 1.00 3.42 C ATOM 430 O SER A 29 22.907 -8.463 -0.923 1.00 2.30 O ATOM 431 CB SER A 29 19.894 -7.976 -2.133 1.00 52.40 C ATOM 432 OG SER A 29 18.889 -8.681 -2.841 1.00 13.23 O ATOM 0 H SER A 29 18.660 -8.759 -0.149 1.00 60.52 H new ATOM 0 HA SER A 29 20.843 -9.805 -1.525 1.00 64.32 H new ATOM 0 HB2 SER A 29 19.460 -7.094 -1.662 1.00 52.40 H new ATOM 0 HB3 SER A 29 20.655 -7.624 -2.830 1.00 52.40 H new ATOM 0 HG SER A 29 19.160 -9.616 -2.949 1.00 13.23 H new ATOM 438 N PHE A 30 21.574 -7.269 0.441 1.00 31.42 N ATOM 439 CA PHE A 30 22.675 -6.541 1.060 1.00 2.01 C ATOM 440 C PHE A 30 23.544 -7.476 1.897 1.00 73.03 C ATOM 441 O PHE A 30 24.772 -7.430 1.825 1.00 13.11 O ATOM 442 CB PHE A 30 22.137 -5.407 1.935 1.00 32.45 C ATOM 443 CG PHE A 30 22.740 -5.373 3.310 1.00 25.24 C ATOM 444 CD1 PHE A 30 24.046 -4.947 3.498 1.00 74.21 C ATOM 445 CD2 PHE A 30 22.003 -5.766 4.415 1.00 32.53 C ATOM 446 CE1 PHE A 30 24.604 -4.916 4.762 1.00 54.41 C ATOM 447 CE2 PHE A 30 22.555 -5.737 5.682 1.00 44.41 C ATOM 448 CZ PHE A 30 23.857 -5.310 5.855 1.00 3.54 C ATOM 0 H PHE A 30 20.651 -7.020 0.797 1.00 31.42 H new ATOM 0 HA PHE A 30 23.289 -6.117 0.265 1.00 2.01 H new ATOM 0 HB2 PHE A 30 22.328 -4.455 1.440 1.00 32.45 H new ATOM 0 HB3 PHE A 30 21.055 -5.509 2.024 1.00 32.45 H new ATOM 0 HD1 PHE A 30 24.634 -4.636 2.647 1.00 74.21 H new ATOM 0 HD2 PHE A 30 20.984 -6.099 4.285 1.00 32.53 H new ATOM 0 HE1 PHE A 30 25.623 -4.584 4.895 1.00 54.41 H new ATOM 0 HE2 PHE A 30 21.969 -6.048 6.535 1.00 44.41 H new ATOM 0 HZ PHE A 30 24.291 -5.284 6.844 1.00 3.54 H new ATOM 458 N SER A 31 22.896 -8.324 2.690 1.00 43.40 N ATOM 459 CA SER A 31 23.608 -9.267 3.544 1.00 4.10 C ATOM 460 C SER A 31 24.552 -10.139 2.721 1.00 35.54 C ATOM 461 O SER A 31 25.713 -10.327 3.082 1.00 50.31 O ATOM 462 CB SER A 31 22.616 -10.147 4.306 1.00 12.13 C ATOM 463 OG SER A 31 23.286 -10.994 5.224 1.00 75.22 O ATOM 0 H SER A 31 21.880 -8.377 2.759 1.00 43.40 H new ATOM 0 HA SER A 31 24.200 -8.696 4.260 1.00 4.10 H new ATOM 0 HB2 SER A 31 21.903 -9.519 4.840 1.00 12.13 H new ATOM 0 HB3 SER A 31 22.044 -10.750 3.601 1.00 12.13 H new ATOM 0 HG SER A 31 22.630 -11.545 5.699 1.00 75.22 H new ATOM 469 N GLU A 32 24.042 -10.670 1.614 1.00 31.43 N ATOM 470 CA GLU A 32 24.838 -11.524 0.741 1.00 64.04 C ATOM 471 C GLU A 32 25.844 -10.699 -0.057 1.00 2.31 C ATOM 472 O GLU A 32 27.000 -11.093 -0.217 1.00 2.14 O ATOM 473 CB GLU A 32 23.931 -12.303 -0.214 1.00 32.24 C ATOM 474 CG GLU A 32 24.587 -13.540 -0.804 1.00 30.24 C ATOM 475 CD GLU A 32 23.584 -14.492 -1.427 1.00 0.35 C ATOM 476 OE1 GLU A 32 22.435 -14.546 -0.940 1.00 43.21 O ATOM 477 OE2 GLU A 32 23.949 -15.182 -2.401 1.00 74.23 O ATOM 0 H GLU A 32 23.082 -10.524 1.301 1.00 31.43 H new ATOM 0 HA GLU A 32 25.386 -12.229 1.367 1.00 64.04 H new ATOM 0 HB2 GLU A 32 23.027 -12.600 0.318 1.00 32.24 H new ATOM 0 HB3 GLU A 32 23.621 -11.644 -1.025 1.00 32.24 H new ATOM 0 HG2 GLU A 32 25.312 -13.237 -1.559 1.00 30.24 H new ATOM 0 HG3 GLU A 32 25.140 -14.061 -0.022 1.00 30.24 H new ATOM 484 N LEU A 33 25.396 -9.552 -0.556 1.00 60.10 N ATOM 485 CA LEU A 33 26.256 -8.670 -1.338 1.00 34.11 C ATOM 486 C LEU A 33 27.506 -8.291 -0.551 1.00 63.13 C ATOM 487 O LEU A 33 28.597 -8.184 -1.113 1.00 54.43 O ATOM 488 CB LEU A 33 25.492 -7.408 -1.742 1.00 74.02 C ATOM 489 CG LEU A 33 26.286 -6.367 -2.532 1.00 12.35 C ATOM 490 CD1 LEU A 33 27.073 -5.469 -1.589 1.00 63.45 C ATOM 491 CD2 LEU A 33 27.216 -7.046 -3.526 1.00 30.54 C ATOM 0 H LEU A 33 24.443 -9.211 -0.433 1.00 60.10 H new ATOM 0 HA LEU A 33 26.563 -9.205 -2.237 1.00 34.11 H new ATOM 0 HB2 LEU A 33 24.628 -7.705 -2.337 1.00 74.02 H new ATOM 0 HB3 LEU A 33 25.109 -6.934 -0.838 1.00 74.02 H new ATOM 0 HG LEU A 33 25.583 -5.748 -3.089 1.00 12.35 H new ATOM 0 HD11 LEU A 33 27.632 -4.734 -2.168 1.00 63.45 H new ATOM 0 HD12 LEU A 33 26.385 -4.955 -0.918 1.00 63.45 H new ATOM 0 HD13 LEU A 33 27.766 -6.074 -1.004 1.00 63.45 H new ATOM 0 HD21 LEU A 33 27.773 -6.289 -4.079 1.00 30.54 H new ATOM 0 HD22 LEU A 33 27.913 -7.690 -2.990 1.00 30.54 H new ATOM 0 HD23 LEU A 33 26.629 -7.646 -4.222 1.00 30.54 H new ATOM 503 N TYR A 34 27.342 -8.092 0.752 1.00 54.04 N ATOM 504 CA TYR A 34 28.457 -7.725 1.616 1.00 42.13 C ATOM 505 C TYR A 34 29.446 -8.879 1.748 1.00 21.04 C ATOM 506 O TYR A 34 30.651 -8.666 1.883 1.00 23.31 O ATOM 507 CB TYR A 34 27.946 -7.315 2.998 1.00 73.41 C ATOM 508 CG TYR A 34 29.029 -7.255 4.051 1.00 60.10 C ATOM 509 CD1 TYR A 34 29.359 -8.377 4.801 1.00 33.33 C ATOM 510 CD2 TYR A 34 29.722 -6.076 4.297 1.00 60.35 C ATOM 511 CE1 TYR A 34 30.347 -8.327 5.765 1.00 3.11 C ATOM 512 CE2 TYR A 34 30.713 -6.017 5.257 1.00 31.12 C ATOM 513 CZ TYR A 34 31.022 -7.145 5.989 1.00 52.21 C ATOM 514 OH TYR A 34 32.007 -7.090 6.948 1.00 42.53 O ATOM 0 H TYR A 34 26.447 -8.179 1.233 1.00 54.04 H new ATOM 0 HA TYR A 34 28.972 -6.879 1.162 1.00 42.13 H new ATOM 0 HB2 TYR A 34 27.468 -6.338 2.924 1.00 73.41 H new ATOM 0 HB3 TYR A 34 27.180 -8.021 3.317 1.00 73.41 H new ATOM 0 HD1 TYR A 34 28.834 -9.305 4.627 1.00 33.33 H new ATOM 0 HD2 TYR A 34 29.481 -5.190 3.728 1.00 60.35 H new ATOM 0 HE1 TYR A 34 30.590 -9.208 6.340 1.00 3.11 H new ATOM 0 HE2 TYR A 34 31.243 -5.093 5.434 1.00 31.12 H new ATOM 0 HH TYR A 34 32.432 -7.969 7.031 1.00 42.53 H new ATOM 524 N ASP A 35 28.927 -10.101 1.709 1.00 63.33 N ATOM 525 CA ASP A 35 29.763 -11.291 1.823 1.00 42.25 C ATOM 526 C ASP A 35 30.556 -11.523 0.540 1.00 2.41 C ATOM 527 O ASP A 35 31.641 -12.105 0.566 1.00 33.22 O ATOM 528 CB ASP A 35 28.903 -12.517 2.134 1.00 42.33 C ATOM 529 CG ASP A 35 29.285 -13.174 3.445 1.00 25.31 C ATOM 530 OD1 ASP A 35 30.255 -13.961 3.454 1.00 24.41 O ATOM 531 OD2 ASP A 35 28.615 -12.901 4.463 1.00 64.43 O ATOM 0 H ASP A 35 27.931 -10.294 1.599 1.00 63.33 H new ATOM 0 HA ASP A 35 30.466 -11.134 2.641 1.00 42.25 H new ATOM 0 HB2 ASP A 35 27.854 -12.222 2.171 1.00 42.33 H new ATOM 0 HB3 ASP A 35 29.002 -13.241 1.325 1.00 42.33 H new ATOM 536 N ILE A 36 30.007 -11.064 -0.580 1.00 4.13 N ATOM 537 CA ILE A 36 30.664 -11.221 -1.872 1.00 33.53 C ATOM 538 C ILE A 36 31.438 -9.964 -2.252 1.00 31.00 C ATOM 539 O ILE A 36 32.309 -9.999 -3.121 1.00 43.33 O ATOM 540 CB ILE A 36 29.648 -11.541 -2.984 1.00 34.20 C ATOM 541 CG1 ILE A 36 30.352 -11.623 -4.340 1.00 32.41 C ATOM 542 CG2 ILE A 36 28.548 -10.490 -3.015 1.00 30.30 C ATOM 543 CD1 ILE A 36 30.212 -10.367 -5.170 1.00 44.23 C ATOM 0 H ILE A 36 29.110 -10.581 -0.619 1.00 4.13 H new ATOM 0 HA ILE A 36 31.358 -12.056 -1.774 1.00 33.53 H new ATOM 0 HB ILE A 36 29.193 -12.509 -2.773 1.00 34.20 H new ATOM 0 HG12 ILE A 36 31.411 -11.826 -4.179 1.00 32.41 H new ATOM 0 HG13 ILE A 36 29.947 -12.466 -4.900 1.00 32.41 H new ATOM 0 HG21 ILE A 36 27.838 -10.730 -3.806 1.00 30.30 H new ATOM 0 HG22 ILE A 36 28.031 -10.476 -2.055 1.00 30.30 H new ATOM 0 HG23 ILE A 36 28.986 -9.510 -3.206 1.00 30.30 H new ATOM 0 HD11 ILE A 36 30.735 -10.497 -6.117 1.00 44.23 H new ATOM 0 HD12 ILE A 36 29.157 -10.174 -5.362 1.00 44.23 H new ATOM 0 HD13 ILE A 36 30.643 -9.524 -4.630 1.00 44.23 H new ATOM 555 N ILE A 37 31.115 -8.856 -1.594 1.00 42.42 N ATOM 556 CA ILE A 37 31.783 -7.588 -1.861 1.00 55.43 C ATOM 557 C ILE A 37 33.282 -7.691 -1.604 1.00 41.32 C ATOM 558 O ILE A 37 34.062 -6.864 -2.077 1.00 53.33 O ATOM 559 CB ILE A 37 31.202 -6.453 -0.997 1.00 52.32 C ATOM 560 CG1 ILE A 37 31.566 -5.091 -1.593 1.00 31.21 C ATOM 561 CG2 ILE A 37 31.708 -6.564 0.433 1.00 3.21 C ATOM 562 CD1 ILE A 37 30.796 -4.757 -2.851 1.00 41.23 C ATOM 0 H ILE A 37 30.395 -8.810 -0.873 1.00 42.42 H new ATOM 0 HA ILE A 37 31.613 -7.357 -2.913 1.00 55.43 H new ATOM 0 HB ILE A 37 30.116 -6.545 -0.985 1.00 52.32 H new ATOM 0 HG12 ILE A 37 31.383 -4.317 -0.848 1.00 31.21 H new ATOM 0 HG13 ILE A 37 32.633 -5.074 -1.814 1.00 31.21 H new ATOM 0 HG21 ILE A 37 31.289 -5.755 1.031 1.00 3.21 H new ATOM 0 HG22 ILE A 37 31.403 -7.522 0.854 1.00 3.21 H new ATOM 0 HG23 ILE A 37 32.796 -6.495 0.440 1.00 3.21 H new ATOM 0 HD11 ILE A 37 31.105 -3.778 -3.218 1.00 41.23 H new ATOM 0 HD12 ILE A 37 30.998 -5.510 -3.612 1.00 41.23 H new ATOM 0 HD13 ILE A 37 29.729 -4.741 -2.631 1.00 41.23 H new ATOM 574 N ASP A 38 33.679 -8.712 -0.853 1.00 71.13 N ATOM 575 CA ASP A 38 35.086 -8.926 -0.535 1.00 60.03 C ATOM 576 C ASP A 38 35.873 -9.309 -1.784 1.00 63.45 C ATOM 577 O ASP A 38 37.083 -9.094 -1.857 1.00 74.22 O ATOM 578 CB ASP A 38 35.231 -10.016 0.528 1.00 14.32 C ATOM 579 CG ASP A 38 36.667 -10.197 0.979 1.00 35.35 C ATOM 580 OD1 ASP A 38 37.328 -9.180 1.275 1.00 63.53 O ATOM 581 OD2 ASP A 38 37.129 -11.356 1.037 1.00 72.24 O ATOM 0 H ASP A 38 33.046 -9.405 -0.453 1.00 71.13 H new ATOM 0 HA ASP A 38 35.491 -7.992 -0.144 1.00 60.03 H new ATOM 0 HB2 ASP A 38 34.612 -9.764 1.389 1.00 14.32 H new ATOM 0 HB3 ASP A 38 34.856 -10.959 0.131 1.00 14.32 H new ATOM 586 N GLU A 39 35.178 -9.879 -2.764 1.00 64.21 N ATOM 587 CA GLU A 39 35.814 -10.294 -4.009 1.00 71.12 C ATOM 588 C GLU A 39 36.221 -9.082 -4.843 1.00 34.33 C ATOM 589 O GLU A 39 36.009 -7.939 -4.440 1.00 34.42 O ATOM 590 CB GLU A 39 34.870 -11.188 -4.816 1.00 63.41 C ATOM 591 CG GLU A 39 34.427 -12.435 -4.070 1.00 31.42 C ATOM 592 CD GLU A 39 35.514 -13.490 -3.999 1.00 30.31 C ATOM 593 OE1 GLU A 39 35.738 -14.181 -5.015 1.00 4.14 O ATOM 594 OE2 GLU A 39 36.140 -13.625 -2.927 1.00 4.52 O ATOM 0 H GLU A 39 34.176 -10.064 -2.720 1.00 64.21 H new ATOM 0 HA GLU A 39 36.712 -10.858 -3.758 1.00 71.12 H new ATOM 0 HB2 GLU A 39 33.989 -10.611 -5.098 1.00 63.41 H new ATOM 0 HB3 GLU A 39 35.366 -11.485 -5.740 1.00 63.41 H new ATOM 0 HG2 GLU A 39 34.125 -12.161 -3.059 1.00 31.42 H new ATOM 0 HG3 GLU A 39 33.550 -12.855 -4.562 1.00 31.42 H new ATOM 601 N ASN A 40 36.807 -9.342 -6.007 1.00 13.01 N ATOM 602 CA ASN A 40 37.245 -8.273 -6.897 1.00 74.24 C ATOM 603 C ASN A 40 37.197 -8.725 -8.354 1.00 14.31 C ATOM 604 O ASN A 40 37.832 -8.126 -9.222 1.00 1.54 O ATOM 605 CB ASN A 40 38.663 -7.829 -6.536 1.00 25.11 C ATOM 606 CG ASN A 40 39.047 -6.521 -7.200 1.00 14.42 C ATOM 607 OD1 ASN A 40 38.516 -5.462 -6.863 1.00 22.04 O ATOM 608 ND2 ASN A 40 39.972 -6.588 -8.150 1.00 21.03 N ATOM 0 H ASN A 40 36.989 -10.283 -6.356 1.00 13.01 H new ATOM 0 HA ASN A 40 36.565 -7.430 -6.773 1.00 74.24 H new ATOM 0 HB2 ASN A 40 38.742 -7.721 -5.454 1.00 25.11 H new ATOM 0 HB3 ASN A 40 39.370 -8.604 -6.832 1.00 25.11 H new ATOM 0 HD21 ASN A 40 40.269 -5.740 -8.633 1.00 21.03 H new ATOM 0 HD22 ASN A 40 40.385 -7.487 -8.397 1.00 21.03 H new ATOM 615 N ASP A 41 36.439 -9.784 -8.614 1.00 73.23 N ATOM 616 CA ASP A 41 36.306 -10.316 -9.966 1.00 12.42 C ATOM 617 C ASP A 41 34.995 -9.862 -10.602 1.00 23.24 C ATOM 618 O ASP A 41 33.949 -9.848 -9.952 1.00 2.52 O ATOM 619 CB ASP A 41 36.375 -11.843 -9.945 1.00 62.41 C ATOM 620 CG ASP A 41 37.790 -12.361 -10.112 1.00 43.01 C ATOM 621 OD1 ASP A 41 38.692 -11.860 -9.408 1.00 52.23 O ATOM 622 OD2 ASP A 41 37.997 -13.267 -10.947 1.00 54.41 O ATOM 0 H ASP A 41 35.907 -10.291 -7.907 1.00 73.23 H new ATOM 0 HA ASP A 41 37.132 -9.931 -10.564 1.00 12.42 H new ATOM 0 HB2 ASP A 41 35.966 -12.209 -9.003 1.00 62.41 H new ATOM 0 HB3 ASP A 41 35.748 -12.243 -10.742 1.00 62.41 H new ATOM 627 N THR A 42 35.059 -9.491 -11.877 1.00 21.23 N ATOM 628 CA THR A 42 33.879 -9.035 -12.600 1.00 10.01 C ATOM 629 C THR A 42 32.922 -10.189 -12.874 1.00 70.34 C ATOM 630 O THR A 42 31.708 -9.997 -12.950 1.00 63.35 O ATOM 631 CB THR A 42 34.261 -8.371 -13.936 1.00 51.03 C ATOM 632 OG1 THR A 42 35.047 -9.272 -14.724 1.00 3.11 O ATOM 633 CG2 THR A 42 35.039 -7.085 -13.699 1.00 32.41 C ATOM 0 H THR A 42 35.916 -9.498 -12.430 1.00 21.23 H new ATOM 0 HA THR A 42 33.384 -8.300 -11.966 1.00 10.01 H new ATOM 0 HB THR A 42 33.343 -8.128 -14.471 1.00 51.03 H new ATOM 0 HG1 THR A 42 35.284 -8.843 -15.572 1.00 3.11 H new ATOM 0 HG21 THR A 42 35.298 -6.634 -14.657 1.00 32.41 H new ATOM 0 HG22 THR A 42 34.427 -6.390 -13.125 1.00 32.41 H new ATOM 0 HG23 THR A 42 35.951 -7.308 -13.145 1.00 32.41 H new ATOM 641 N ASP A 43 33.475 -11.388 -13.021 1.00 63.04 N ATOM 642 CA ASP A 43 32.670 -12.575 -13.286 1.00 11.33 C ATOM 643 C ASP A 43 31.784 -12.908 -12.089 1.00 41.22 C ATOM 644 O ASP A 43 30.593 -13.180 -12.242 1.00 2.23 O ATOM 645 CB ASP A 43 33.571 -13.766 -13.616 1.00 50.52 C ATOM 646 CG ASP A 43 33.999 -13.782 -15.071 1.00 10.45 C ATOM 647 OD1 ASP A 43 33.942 -12.715 -15.718 1.00 73.11 O ATOM 648 OD2 ASP A 43 34.392 -14.860 -15.561 1.00 20.51 O ATOM 0 H ASP A 43 34.478 -11.564 -12.961 1.00 63.04 H new ATOM 0 HA ASP A 43 32.030 -12.366 -14.143 1.00 11.33 H new ATOM 0 HB2 ASP A 43 34.456 -13.736 -12.980 1.00 50.52 H new ATOM 0 HB3 ASP A 43 33.044 -14.692 -13.385 1.00 50.52 H new ATOM 653 N VAL A 44 32.374 -12.886 -10.898 1.00 41.32 N ATOM 654 CA VAL A 44 31.639 -13.185 -9.675 1.00 70.32 C ATOM 655 C VAL A 44 30.657 -12.069 -9.337 1.00 5.04 C ATOM 656 O VAL A 44 29.545 -12.325 -8.878 1.00 75.32 O ATOM 657 CB VAL A 44 32.593 -13.394 -8.484 1.00 33.30 C ATOM 658 CG1 VAL A 44 33.457 -12.161 -8.269 1.00 60.20 C ATOM 659 CG2 VAL A 44 31.807 -13.731 -7.226 1.00 10.34 C ATOM 0 H VAL A 44 33.359 -12.664 -10.754 1.00 41.32 H new ATOM 0 HA VAL A 44 31.087 -14.108 -9.855 1.00 70.32 H new ATOM 0 HB VAL A 44 33.251 -14.233 -8.710 1.00 33.30 H new ATOM 0 HG11 VAL A 44 34.124 -12.327 -7.423 1.00 60.20 H new ATOM 0 HG12 VAL A 44 34.047 -11.970 -9.165 1.00 60.20 H new ATOM 0 HG13 VAL A 44 32.819 -11.301 -8.064 1.00 60.20 H new ATOM 0 HG21 VAL A 44 32.496 -13.876 -6.394 1.00 10.34 H new ATOM 0 HG22 VAL A 44 31.124 -12.914 -6.994 1.00 10.34 H new ATOM 0 HG23 VAL A 44 31.236 -14.646 -7.388 1.00 10.34 H new ATOM 669 N MET A 45 31.078 -10.829 -9.566 1.00 72.20 N ATOM 670 CA MET A 45 30.234 -9.673 -9.287 1.00 4.24 C ATOM 671 C MET A 45 29.077 -9.592 -10.277 1.00 44.33 C ATOM 672 O MET A 45 27.932 -9.360 -9.891 1.00 3.14 O ATOM 673 CB MET A 45 31.061 -8.386 -9.343 1.00 73.53 C ATOM 674 CG MET A 45 31.749 -8.048 -8.031 1.00 23.30 C ATOM 675 SD MET A 45 30.605 -7.414 -6.790 1.00 24.54 S ATOM 676 CE MET A 45 30.170 -5.832 -7.507 1.00 5.24 C ATOM 0 H MET A 45 31.997 -10.599 -9.944 1.00 72.20 H new ATOM 0 HA MET A 45 29.822 -9.789 -8.284 1.00 4.24 H new ATOM 0 HB2 MET A 45 31.815 -8.482 -10.125 1.00 73.53 H new ATOM 0 HB3 MET A 45 30.411 -7.558 -9.627 1.00 73.53 H new ATOM 0 HG2 MET A 45 32.242 -8.940 -7.643 1.00 23.30 H new ATOM 0 HG3 MET A 45 32.528 -7.307 -8.214 1.00 23.30 H new ATOM 0 HE1 MET A 45 30.320 -5.044 -6.769 1.00 5.24 H new ATOM 0 HE2 MET A 45 30.800 -5.640 -8.375 1.00 5.24 H new ATOM 0 HE3 MET A 45 29.124 -5.847 -7.814 1.00 5.24 H new ATOM 686 N MET A 46 29.384 -9.784 -11.556 1.00 45.20 N ATOM 687 CA MET A 46 28.369 -9.733 -12.601 1.00 50.04 C ATOM 688 C MET A 46 27.409 -10.913 -12.485 1.00 64.10 C ATOM 689 O MET A 46 26.216 -10.784 -12.759 1.00 62.33 O ATOM 690 CB MET A 46 29.028 -9.730 -13.982 1.00 74.43 C ATOM 691 CG MET A 46 29.515 -11.100 -14.425 1.00 64.24 C ATOM 692 SD MET A 46 28.296 -11.985 -15.416 1.00 11.11 S ATOM 693 CE MET A 46 28.504 -11.183 -17.004 1.00 73.31 C ATOM 0 H MET A 46 30.327 -9.976 -11.893 1.00 45.20 H new ATOM 0 HA MET A 46 27.800 -8.812 -12.476 1.00 50.04 H new ATOM 0 HB2 MET A 46 28.315 -9.352 -14.715 1.00 74.43 H new ATOM 0 HB3 MET A 46 29.871 -9.039 -13.972 1.00 74.43 H new ATOM 0 HG2 MET A 46 30.433 -10.986 -15.002 1.00 64.24 H new ATOM 0 HG3 MET A 46 29.763 -11.695 -13.546 1.00 64.24 H new ATOM 0 HE1 MET A 46 27.553 -11.179 -17.537 1.00 73.31 H new ATOM 0 HE2 MET A 46 28.840 -10.157 -16.852 1.00 73.31 H new ATOM 0 HE3 MET A 46 29.246 -11.724 -17.591 1.00 73.31 H new ATOM 703 N ASP A 47 27.938 -12.062 -12.077 1.00 41.53 N ATOM 704 CA ASP A 47 27.128 -13.264 -11.924 1.00 70.41 C ATOM 705 C ASP A 47 26.184 -13.135 -10.733 1.00 74.40 C ATOM 706 O ASP A 47 25.019 -13.529 -10.805 1.00 63.11 O ATOM 707 CB ASP A 47 28.025 -14.490 -11.749 1.00 24.52 C ATOM 708 CG ASP A 47 27.231 -15.763 -11.533 1.00 73.40 C ATOM 709 OD1 ASP A 47 26.791 -16.366 -12.535 1.00 10.11 O ATOM 710 OD2 ASP A 47 27.049 -16.158 -10.362 1.00 43.33 O ATOM 0 H ASP A 47 28.924 -12.186 -11.847 1.00 41.53 H new ATOM 0 HA ASP A 47 26.530 -13.387 -12.827 1.00 70.41 H new ATOM 0 HB2 ASP A 47 28.656 -14.604 -12.631 1.00 24.52 H new ATOM 0 HB3 ASP A 47 28.690 -14.332 -10.900 1.00 24.52 H new ATOM 715 N PHE A 48 26.693 -12.583 -9.637 1.00 44.54 N ATOM 716 CA PHE A 48 25.896 -12.403 -8.430 1.00 22.55 C ATOM 717 C PHE A 48 24.863 -11.297 -8.619 1.00 12.11 C ATOM 718 O PHE A 48 23.698 -11.452 -8.252 1.00 54.11 O ATOM 719 CB PHE A 48 26.801 -12.074 -7.240 1.00 74.11 C ATOM 720 CG PHE A 48 26.052 -11.567 -6.040 1.00 64.34 C ATOM 721 CD1 PHE A 48 25.547 -12.450 -5.099 1.00 54.34 C ATOM 722 CD2 PHE A 48 25.855 -10.209 -5.853 1.00 44.33 C ATOM 723 CE1 PHE A 48 24.857 -11.986 -3.995 1.00 41.00 C ATOM 724 CE2 PHE A 48 25.167 -9.739 -4.750 1.00 60.05 C ATOM 725 CZ PHE A 48 24.668 -10.629 -3.820 1.00 2.03 C ATOM 0 H PHE A 48 27.655 -12.252 -9.560 1.00 44.54 H new ATOM 0 HA PHE A 48 25.369 -13.336 -8.230 1.00 22.55 H new ATOM 0 HB2 PHE A 48 27.359 -12.968 -6.960 1.00 74.11 H new ATOM 0 HB3 PHE A 48 27.532 -11.325 -7.545 1.00 74.11 H new ATOM 0 HD1 PHE A 48 25.694 -13.512 -5.230 1.00 54.34 H new ATOM 0 HD2 PHE A 48 26.244 -9.509 -6.578 1.00 44.33 H new ATOM 0 HE1 PHE A 48 24.466 -12.684 -3.270 1.00 41.00 H new ATOM 0 HE2 PHE A 48 25.020 -8.677 -4.616 1.00 60.05 H new ATOM 0 HZ PHE A 48 24.131 -10.265 -2.957 1.00 2.03 H new ATOM 735 N ILE A 49 25.299 -10.181 -9.193 1.00 54.32 N ATOM 736 CA ILE A 49 24.412 -9.049 -9.432 1.00 2.42 C ATOM 737 C ILE A 49 23.289 -9.423 -10.393 1.00 43.44 C ATOM 738 O ILE A 49 22.118 -9.149 -10.132 1.00 72.43 O ATOM 739 CB ILE A 49 25.181 -7.842 -10.002 1.00 71.25 C ATOM 740 CG1 ILE A 49 25.584 -6.888 -8.877 1.00 12.43 C ATOM 741 CG2 ILE A 49 24.336 -7.119 -11.041 1.00 2.13 C ATOM 742 CD1 ILE A 49 26.915 -7.227 -8.244 1.00 21.31 C ATOM 0 H ILE A 49 26.261 -10.036 -9.501 1.00 54.32 H new ATOM 0 HA ILE A 49 23.984 -8.774 -8.468 1.00 2.42 H new ATOM 0 HB ILE A 49 26.088 -8.204 -10.487 1.00 71.25 H new ATOM 0 HG12 ILE A 49 25.626 -5.872 -9.271 1.00 12.43 H new ATOM 0 HG13 ILE A 49 24.812 -6.900 -8.108 1.00 12.43 H new ATOM 0 HG21 ILE A 49 24.893 -6.269 -11.435 1.00 2.13 H new ATOM 0 HG22 ILE A 49 24.095 -7.803 -11.855 1.00 2.13 H new ATOM 0 HG23 ILE A 49 23.414 -6.767 -10.579 1.00 2.13 H new ATOM 0 HD11 ILE A 49 27.136 -6.509 -7.455 1.00 21.31 H new ATOM 0 HD12 ILE A 49 26.871 -8.230 -7.820 1.00 21.31 H new ATOM 0 HD13 ILE A 49 27.698 -7.187 -9.001 1.00 21.31 H new ATOM 754 N SER A 50 23.655 -10.051 -11.506 1.00 22.10 N ATOM 755 CA SER A 50 22.679 -10.462 -12.508 1.00 51.33 C ATOM 756 C SER A 50 21.731 -11.515 -11.944 1.00 34.04 C ATOM 757 O SER A 50 20.535 -11.512 -12.238 1.00 43.33 O ATOM 758 CB SER A 50 23.389 -11.010 -13.748 1.00 32.24 C ATOM 759 OG SER A 50 22.498 -11.104 -14.846 1.00 30.33 O ATOM 0 H SER A 50 24.620 -10.286 -11.736 1.00 22.10 H new ATOM 0 HA SER A 50 22.094 -9.586 -12.790 1.00 51.33 H new ATOM 0 HB2 SER A 50 24.225 -10.361 -14.009 1.00 32.24 H new ATOM 0 HB3 SER A 50 23.805 -11.993 -13.528 1.00 32.24 H new ATOM 0 HG SER A 50 22.976 -11.455 -15.626 1.00 30.33 H new ATOM 765 N ARG A 51 22.273 -12.415 -11.130 1.00 61.22 N ATOM 766 CA ARG A 51 21.477 -13.476 -10.525 1.00 11.35 C ATOM 767 C ARG A 51 20.496 -12.904 -9.505 1.00 75.24 C ATOM 768 O ARG A 51 19.338 -13.319 -9.442 1.00 51.24 O ATOM 769 CB ARG A 51 22.387 -14.505 -9.851 1.00 11.51 C ATOM 770 CG ARG A 51 21.642 -15.711 -9.304 1.00 72.34 C ATOM 771 CD ARG A 51 21.215 -16.654 -10.419 1.00 13.13 C ATOM 772 NE ARG A 51 20.183 -17.589 -9.979 1.00 73.00 N ATOM 773 CZ ARG A 51 20.414 -18.605 -9.155 1.00 43.01 C ATOM 774 NH1 ARG A 51 21.636 -18.815 -8.684 1.00 35.34 N ATOM 775 NH2 ARG A 51 19.423 -19.413 -8.801 1.00 0.32 N ATOM 0 H ARG A 51 23.260 -12.431 -10.874 1.00 61.22 H new ATOM 0 HA ARG A 51 20.909 -13.966 -11.316 1.00 11.35 H new ATOM 0 HB2 ARG A 51 23.132 -14.845 -10.570 1.00 11.51 H new ATOM 0 HB3 ARG A 51 22.927 -14.022 -9.037 1.00 11.51 H new ATOM 0 HG2 ARG A 51 22.279 -16.245 -8.599 1.00 72.34 H new ATOM 0 HG3 ARG A 51 20.764 -15.378 -8.751 1.00 72.34 H new ATOM 0 HD2 ARG A 51 20.842 -16.073 -11.262 1.00 13.13 H new ATOM 0 HD3 ARG A 51 22.082 -17.211 -10.774 1.00 13.13 H new ATOM 0 HE ARG A 51 19.232 -17.454 -10.323 1.00 73.00 H new ATOM 0 HH11 ARG A 51 22.400 -18.196 -8.954 1.00 35.34 H new ATOM 0 HH12 ARG A 51 21.812 -19.596 -8.051 1.00 35.34 H new ATOM 0 HH21 ARG A 51 18.482 -19.254 -9.162 1.00 0.32 H new ATOM 0 HH22 ARG A 51 19.602 -20.193 -8.168 1.00 0.32 H new ATOM 789 N PHE A 52 20.966 -11.951 -8.709 1.00 4.44 N ATOM 790 CA PHE A 52 20.131 -11.323 -7.691 1.00 63.11 C ATOM 791 C PHE A 52 19.193 -10.295 -8.316 1.00 13.00 C ATOM 792 O PHE A 52 18.088 -10.068 -7.824 1.00 10.51 O ATOM 793 CB PHE A 52 21.003 -10.654 -6.627 1.00 4.31 C ATOM 794 CG PHE A 52 20.964 -11.349 -5.296 1.00 4.41 C ATOM 795 CD1 PHE A 52 20.024 -10.995 -4.342 1.00 52.11 C ATOM 796 CD2 PHE A 52 21.869 -12.355 -4.998 1.00 70.24 C ATOM 797 CE1 PHE A 52 19.985 -11.633 -3.116 1.00 51.34 C ATOM 798 CE2 PHE A 52 21.835 -12.997 -3.775 1.00 14.33 C ATOM 799 CZ PHE A 52 20.892 -12.634 -2.832 1.00 63.21 C ATOM 0 H PHE A 52 21.921 -11.596 -8.749 1.00 4.44 H new ATOM 0 HA PHE A 52 19.529 -12.100 -7.221 1.00 63.11 H new ATOM 0 HB2 PHE A 52 22.033 -10.622 -6.981 1.00 4.31 H new ATOM 0 HB3 PHE A 52 20.678 -9.622 -6.499 1.00 4.31 H new ATOM 0 HD1 PHE A 52 19.313 -10.211 -4.558 1.00 52.11 H new ATOM 0 HD2 PHE A 52 22.610 -12.641 -5.730 1.00 70.24 H new ATOM 0 HE1 PHE A 52 19.246 -11.349 -2.382 1.00 51.34 H new ATOM 0 HE2 PHE A 52 22.544 -13.781 -3.556 1.00 14.33 H new ATOM 0 HZ PHE A 52 20.865 -13.133 -1.874 1.00 63.21 H new ATOM 809 N ALA A 53 19.642 -9.676 -9.403 1.00 72.52 N ATOM 810 CA ALA A 53 18.843 -8.674 -10.097 1.00 12.13 C ATOM 811 C ALA A 53 18.003 -9.308 -11.200 1.00 71.41 C ATOM 812 O ALA A 53 17.838 -10.528 -11.244 1.00 52.52 O ATOM 813 CB ALA A 53 19.741 -7.589 -10.672 1.00 51.11 C ATOM 0 H ALA A 53 20.555 -9.851 -9.822 1.00 72.52 H new ATOM 0 HA ALA A 53 18.164 -8.223 -9.374 1.00 12.13 H new ATOM 0 HB1 ALA A 53 19.131 -6.847 -11.188 1.00 51.11 H new ATOM 0 HB2 ALA A 53 20.293 -7.107 -9.865 1.00 51.11 H new ATOM 0 HB3 ALA A 53 20.444 -8.034 -11.376 1.00 51.11 H new ATOM 819 N ARG A 54 17.474 -8.474 -12.089 1.00 11.33 N ATOM 820 CA ARG A 54 16.649 -8.954 -13.191 1.00 43.41 C ATOM 821 C ARG A 54 15.329 -9.519 -12.676 1.00 71.22 C ATOM 822 O ARG A 54 15.011 -10.687 -12.901 1.00 71.54 O ATOM 823 CB ARG A 54 17.398 -10.023 -13.988 1.00 42.04 C ATOM 824 CG ARG A 54 16.975 -10.104 -15.446 1.00 31.11 C ATOM 825 CD ARG A 54 17.804 -9.175 -16.319 1.00 74.02 C ATOM 826 NE ARG A 54 17.347 -7.791 -16.233 1.00 10.53 N ATOM 827 CZ ARG A 54 16.309 -7.315 -16.912 1.00 64.03 C ATOM 828 NH1 ARG A 54 15.624 -8.109 -17.724 1.00 3.31 N ATOM 829 NH2 ARG A 54 15.955 -6.043 -16.780 1.00 71.24 N ATOM 0 H ARG A 54 17.602 -7.462 -12.068 1.00 11.33 H new ATOM 0 HA ARG A 54 16.432 -8.109 -13.844 1.00 43.41 H new ATOM 0 HB2 ARG A 54 18.467 -9.817 -13.940 1.00 42.04 H new ATOM 0 HB3 ARG A 54 17.238 -10.993 -13.518 1.00 42.04 H new ATOM 0 HG2 ARG A 54 17.081 -11.129 -15.800 1.00 31.11 H new ATOM 0 HG3 ARG A 54 15.920 -9.844 -15.535 1.00 31.11 H new ATOM 0 HD2 ARG A 54 18.850 -9.231 -16.017 1.00 74.02 H new ATOM 0 HD3 ARG A 54 17.753 -9.510 -17.355 1.00 74.02 H new ATOM 0 HE ARG A 54 17.853 -7.154 -15.617 1.00 10.53 H new ATOM 0 HH11 ARG A 54 15.894 -9.087 -17.828 1.00 3.31 H new ATOM 0 HH12 ARG A 54 14.827 -7.741 -18.244 1.00 3.31 H new ATOM 0 HH21 ARG A 54 16.480 -5.430 -16.157 1.00 71.24 H new ATOM 0 HH22 ARG A 54 15.158 -5.679 -17.302 1.00 71.24 H new ATOM 843 N THR A 55 14.563 -8.683 -11.983 1.00 12.33 N ATOM 844 CA THR A 55 13.278 -9.099 -11.434 1.00 43.13 C ATOM 845 C THR A 55 12.122 -8.474 -12.207 1.00 22.41 C ATOM 846 O THR A 55 11.385 -9.168 -12.908 1.00 0.12 O ATOM 847 CB THR A 55 13.152 -8.718 -9.947 1.00 44.21 C ATOM 848 OG1 THR A 55 13.260 -7.298 -9.794 1.00 63.14 O ATOM 849 CG2 THR A 55 14.228 -9.405 -9.119 1.00 73.24 C ATOM 0 H THR A 55 14.810 -7.713 -11.788 1.00 12.33 H new ATOM 0 HA THR A 55 13.230 -10.184 -11.528 1.00 43.13 H new ATOM 0 HB THR A 55 12.176 -9.048 -9.592 1.00 44.21 H new ATOM 0 HG1 THR A 55 13.177 -7.064 -8.846 1.00 63.14 H new ATOM 0 HG21 THR A 55 14.119 -9.121 -8.072 1.00 73.24 H new ATOM 0 HG22 THR A 55 14.125 -10.486 -9.214 1.00 73.24 H new ATOM 0 HG23 THR A 55 15.212 -9.101 -9.477 1.00 73.24 H new ATOM 857 N ASP A 56 11.970 -7.161 -12.075 1.00 73.40 N ATOM 858 CA ASP A 56 10.903 -6.443 -12.763 1.00 4.41 C ATOM 859 C ASP A 56 10.945 -4.955 -12.425 1.00 70.54 C ATOM 860 O ASP A 56 11.910 -4.470 -11.836 1.00 32.43 O ATOM 861 CB ASP A 56 9.541 -7.026 -12.386 1.00 54.21 C ATOM 862 CG ASP A 56 8.634 -7.202 -13.588 1.00 61.44 C ATOM 863 OD1 ASP A 56 8.612 -6.301 -14.452 1.00 0.32 O ATOM 864 OD2 ASP A 56 7.946 -8.242 -13.666 1.00 11.05 O ATOM 0 H ASP A 56 12.571 -6.572 -11.499 1.00 73.40 H new ATOM 0 HA ASP A 56 11.054 -6.559 -13.836 1.00 4.41 H new ATOM 0 HB2 ASP A 56 9.684 -7.990 -11.898 1.00 54.21 H new ATOM 0 HB3 ASP A 56 9.057 -6.371 -11.662 1.00 54.21 H new ATOM 869 N GLU A 57 9.892 -4.238 -12.805 1.00 1.02 N ATOM 870 CA GLU A 57 9.810 -2.806 -12.544 1.00 3.34 C ATOM 871 C GLU A 57 8.903 -2.521 -11.350 1.00 72.22 C ATOM 872 O GLU A 57 8.566 -3.424 -10.584 1.00 22.51 O ATOM 873 CB GLU A 57 9.292 -2.068 -13.780 1.00 31.12 C ATOM 874 CG GLU A 57 7.811 -2.285 -14.042 1.00 20.42 C ATOM 875 CD GLU A 57 7.360 -1.696 -15.364 1.00 12.20 C ATOM 876 OE1 GLU A 57 8.233 -1.312 -16.170 1.00 71.15 O ATOM 877 OE2 GLU A 57 6.135 -1.618 -15.592 1.00 53.32 O ATOM 0 H GLU A 57 9.085 -4.625 -13.294 1.00 1.02 H new ATOM 0 HA GLU A 57 10.813 -2.448 -12.310 1.00 3.34 H new ATOM 0 HB2 GLU A 57 9.479 -1.001 -13.660 1.00 31.12 H new ATOM 0 HB3 GLU A 57 9.858 -2.395 -14.652 1.00 31.12 H new ATOM 0 HG2 GLU A 57 7.597 -3.354 -14.033 1.00 20.42 H new ATOM 0 HG3 GLU A 57 7.233 -1.837 -13.233 1.00 20.42 H new ATOM 884 N ILE A 58 8.511 -1.260 -11.200 1.00 23.54 N ATOM 885 CA ILE A 58 7.643 -0.857 -10.101 1.00 11.13 C ATOM 886 C ILE A 58 6.232 -0.558 -10.596 1.00 60.01 C ATOM 887 O ILE A 58 6.047 0.178 -11.565 1.00 15.13 O ATOM 888 CB ILE A 58 8.194 0.385 -9.375 1.00 34.33 C ATOM 889 CG1 ILE A 58 8.685 1.419 -10.389 1.00 51.51 C ATOM 890 CG2 ILE A 58 9.316 -0.010 -8.427 1.00 23.50 C ATOM 891 CD1 ILE A 58 10.139 1.250 -10.769 1.00 61.23 C ATOM 0 H ILE A 58 8.781 -0.501 -11.825 1.00 23.54 H new ATOM 0 HA ILE A 58 7.611 -1.692 -9.402 1.00 11.13 H new ATOM 0 HB ILE A 58 7.391 0.832 -8.789 1.00 34.33 H new ATOM 0 HG12 ILE A 58 8.073 1.353 -11.288 1.00 51.51 H new ATOM 0 HG13 ILE A 58 8.539 2.418 -9.977 1.00 51.51 H new ATOM 0 HG21 ILE A 58 9.695 0.878 -7.922 1.00 23.50 H new ATOM 0 HG22 ILE A 58 8.936 -0.714 -7.687 1.00 23.50 H new ATOM 0 HG23 ILE A 58 10.122 -0.477 -8.992 1.00 23.50 H new ATOM 0 HD11 ILE A 58 10.418 2.017 -11.491 1.00 61.23 H new ATOM 0 HD12 ILE A 58 10.761 1.346 -9.879 1.00 61.23 H new ATOM 0 HD13 ILE A 58 10.287 0.265 -11.211 1.00 61.23 H new ATOM 903 N MET A 59 5.240 -1.133 -9.924 1.00 24.23 N ATOM 904 CA MET A 59 3.845 -0.926 -10.294 1.00 42.31 C ATOM 905 C MET A 59 3.374 0.465 -9.881 1.00 43.22 C ATOM 906 O MET A 59 4.017 1.155 -9.089 1.00 71.40 O ATOM 907 CB MET A 59 2.959 -1.990 -9.645 1.00 22.52 C ATOM 908 CG MET A 59 2.563 -3.111 -10.592 1.00 75.21 C ATOM 909 SD MET A 59 1.833 -4.520 -9.735 1.00 3.22 S ATOM 910 CE MET A 59 0.351 -4.777 -10.707 1.00 30.34 C ATOM 0 H MET A 59 5.377 -1.746 -9.120 1.00 24.23 H new ATOM 0 HA MET A 59 3.767 -1.011 -11.378 1.00 42.31 H new ATOM 0 HB2 MET A 59 3.484 -2.416 -8.790 1.00 22.52 H new ATOM 0 HB3 MET A 59 2.057 -1.515 -9.260 1.00 22.52 H new ATOM 0 HG2 MET A 59 1.852 -2.728 -11.324 1.00 75.21 H new ATOM 0 HG3 MET A 59 3.442 -3.442 -11.144 1.00 75.21 H new ATOM 0 HE1 MET A 59 -0.210 -5.618 -10.300 1.00 30.34 H new ATOM 0 HE2 MET A 59 -0.266 -3.879 -10.674 1.00 30.34 H new ATOM 0 HE3 MET A 59 0.626 -4.990 -11.740 1.00 30.34 H new ATOM 920 N PRO A 60 2.226 0.889 -10.430 1.00 0.33 N ATOM 921 CA PRO A 60 1.644 2.201 -10.132 1.00 51.44 C ATOM 922 C PRO A 60 1.109 2.289 -8.707 1.00 24.00 C ATOM 923 O PRO A 60 0.851 3.379 -8.198 1.00 21.12 O ATOM 924 CB PRO A 60 0.498 2.318 -11.141 1.00 45.01 C ATOM 925 CG PRO A 60 0.130 0.910 -11.461 1.00 3.33 C ATOM 926 CD PRO A 60 1.407 0.120 -11.382 1.00 2.22 C ATOM 0 HA PRO A 60 2.381 3.000 -10.208 1.00 51.44 H new ATOM 0 HB2 PRO A 60 -0.347 2.862 -10.719 1.00 45.01 H new ATOM 0 HB3 PRO A 60 0.811 2.858 -12.034 1.00 45.01 H new ATOM 0 HG2 PRO A 60 -0.608 0.530 -10.755 1.00 3.33 H new ATOM 0 HG3 PRO A 60 -0.312 0.838 -12.455 1.00 3.33 H new ATOM 0 HD2 PRO A 60 1.230 -0.896 -11.030 1.00 2.22 H new ATOM 0 HD3 PRO A 60 1.891 0.040 -12.355 1.00 2.22 H new ATOM 934 N GLU A 61 0.947 1.134 -8.069 1.00 14.22 N ATOM 935 CA GLU A 61 0.442 1.082 -6.702 1.00 2.34 C ATOM 936 C GLU A 61 1.574 1.274 -5.696 1.00 42.45 C ATOM 937 O GLU A 61 1.339 1.621 -4.539 1.00 34.22 O ATOM 938 CB GLU A 61 -0.262 -0.252 -6.444 1.00 41.45 C ATOM 939 CG GLU A 61 0.694 -1.416 -6.247 1.00 32.21 C ATOM 940 CD GLU A 61 0.018 -2.762 -6.423 1.00 73.01 C ATOM 941 OE1 GLU A 61 -1.205 -2.847 -6.182 1.00 22.22 O ATOM 942 OE2 GLU A 61 0.710 -3.730 -6.802 1.00 2.43 O ATOM 0 H GLU A 61 1.158 0.223 -8.476 1.00 14.22 H new ATOM 0 HA GLU A 61 -0.275 1.893 -6.577 1.00 2.34 H new ATOM 0 HB2 GLU A 61 -0.891 -0.156 -5.559 1.00 41.45 H new ATOM 0 HB3 GLU A 61 -0.922 -0.473 -7.283 1.00 41.45 H new ATOM 0 HG2 GLU A 61 1.516 -1.331 -6.958 1.00 32.21 H new ATOM 0 HG3 GLU A 61 1.129 -1.360 -5.249 1.00 32.21 H new ATOM 949 N ASP A 62 2.803 1.046 -6.147 1.00 52.45 N ATOM 950 CA ASP A 62 3.972 1.195 -5.289 1.00 22.51 C ATOM 951 C ASP A 62 4.956 2.200 -5.879 1.00 52.21 C ATOM 952 O ASP A 62 4.674 2.840 -6.893 1.00 34.14 O ATOM 953 CB ASP A 62 4.661 -0.157 -5.092 1.00 44.43 C ATOM 954 CG ASP A 62 4.164 -1.207 -6.065 1.00 71.44 C ATOM 955 OD1 ASP A 62 4.473 -1.094 -7.270 1.00 3.13 O ATOM 956 OD2 ASP A 62 3.464 -2.143 -5.623 1.00 4.33 O ATOM 0 H ASP A 62 3.015 0.757 -7.102 1.00 52.45 H new ATOM 0 HA ASP A 62 3.637 1.569 -4.321 1.00 22.51 H new ATOM 0 HB2 ASP A 62 5.737 -0.034 -5.213 1.00 44.43 H new ATOM 0 HB3 ASP A 62 4.492 -0.502 -4.072 1.00 44.43 H new ATOM 961 N LYS A 63 6.112 2.336 -5.238 1.00 34.21 N ATOM 962 CA LYS A 63 7.138 3.263 -5.698 1.00 43.12 C ATOM 963 C LYS A 63 8.523 2.809 -5.247 1.00 40.42 C ATOM 964 O LYS A 63 8.681 1.723 -4.690 1.00 22.32 O ATOM 965 CB LYS A 63 6.855 4.672 -5.172 1.00 21.02 C ATOM 966 CG LYS A 63 5.797 4.713 -4.083 1.00 3.23 C ATOM 967 CD LYS A 63 5.443 6.141 -3.703 1.00 4.23 C ATOM 968 CE LYS A 63 4.199 6.621 -4.435 1.00 24.22 C ATOM 969 NZ LYS A 63 4.516 7.682 -5.430 1.00 62.25 N ATOM 0 H LYS A 63 6.361 1.815 -4.397 1.00 34.21 H new ATOM 0 HA LYS A 63 7.117 3.278 -6.788 1.00 43.12 H new ATOM 0 HB2 LYS A 63 7.780 5.099 -4.785 1.00 21.02 H new ATOM 0 HB3 LYS A 63 6.536 5.303 -6.001 1.00 21.02 H new ATOM 0 HG2 LYS A 63 4.902 4.194 -4.425 1.00 3.23 H new ATOM 0 HG3 LYS A 63 6.158 4.180 -3.203 1.00 3.23 H new ATOM 0 HD2 LYS A 63 5.280 6.202 -2.627 1.00 4.23 H new ATOM 0 HD3 LYS A 63 6.280 6.799 -3.936 1.00 4.23 H new ATOM 0 HE2 LYS A 63 3.727 5.778 -4.940 1.00 24.22 H new ATOM 0 HE3 LYS A 63 3.478 7.004 -3.713 1.00 24.22 H new ATOM 0 HZ1 LYS A 63 3.642 7.982 -5.907 1.00 62.25 H new ATOM 0 HZ2 LYS A 63 4.943 8.497 -4.945 1.00 62.25 H new ATOM 0 HZ3 LYS A 63 5.185 7.309 -6.134 1.00 62.25 H new ATOM 983 N THR A 64 9.525 3.649 -5.490 1.00 55.25 N ATOM 984 CA THR A 64 10.896 3.335 -5.109 1.00 74.42 C ATOM 985 C THR A 64 11.336 4.163 -3.908 1.00 20.12 C ATOM 986 O THR A 64 11.427 5.388 -3.985 1.00 52.24 O ATOM 987 CB THR A 64 11.873 3.580 -6.274 1.00 40.40 C ATOM 988 OG1 THR A 64 11.513 2.766 -7.396 1.00 24.15 O ATOM 989 CG2 THR A 64 13.303 3.273 -5.855 1.00 34.51 C ATOM 0 H THR A 64 9.412 4.553 -5.949 1.00 55.25 H new ATOM 0 HA THR A 64 10.916 2.278 -4.844 1.00 74.42 H new ATOM 0 HB THR A 64 11.812 4.631 -6.555 1.00 40.40 H new ATOM 0 HG1 THR A 64 11.542 1.821 -7.137 1.00 24.15 H new ATOM 0 HG21 THR A 64 13.975 3.453 -6.694 1.00 34.51 H new ATOM 0 HG22 THR A 64 13.584 3.916 -5.021 1.00 34.51 H new ATOM 0 HG23 THR A 64 13.376 2.229 -5.549 1.00 34.51 H new ATOM 997 N VAL A 65 11.610 3.487 -2.797 1.00 34.54 N ATOM 998 CA VAL A 65 12.043 4.160 -1.578 1.00 52.44 C ATOM 999 C VAL A 65 13.229 5.078 -1.850 1.00 44.24 C ATOM 1000 O VAL A 65 13.329 6.166 -1.285 1.00 14.22 O ATOM 1001 CB VAL A 65 12.431 3.148 -0.485 1.00 21.14 C ATOM 1002 CG1 VAL A 65 13.286 2.033 -1.068 1.00 12.01 C ATOM 1003 CG2 VAL A 65 13.157 3.847 0.655 1.00 43.25 C ATOM 0 H VAL A 65 11.540 2.473 -2.716 1.00 34.54 H new ATOM 0 HA VAL A 65 11.199 4.755 -1.228 1.00 52.44 H new ATOM 0 HB VAL A 65 11.519 2.703 -0.086 1.00 21.14 H new ATOM 0 HG11 VAL A 65 13.550 1.327 -0.280 1.00 12.01 H new ATOM 0 HG12 VAL A 65 12.726 1.515 -1.847 1.00 12.01 H new ATOM 0 HG13 VAL A 65 14.195 2.457 -1.495 1.00 12.01 H new ATOM 0 HG21 VAL A 65 13.424 3.116 1.419 1.00 43.25 H new ATOM 0 HG22 VAL A 65 14.062 4.321 0.274 1.00 43.25 H new ATOM 0 HG23 VAL A 65 12.506 4.605 1.090 1.00 43.25 H new ATOM 1013 N GLY A 66 14.129 4.631 -2.722 1.00 11.32 N ATOM 1014 CA GLY A 66 15.298 5.425 -3.054 1.00 75.14 C ATOM 1015 C GLY A 66 16.427 4.586 -3.618 1.00 71.33 C ATOM 1016 O GLY A 66 16.249 3.401 -3.900 1.00 75.50 O ATOM 0 H GLY A 66 14.069 3.734 -3.204 1.00 11.32 H new ATOM 0 HA2 GLY A 66 15.020 6.190 -3.779 1.00 75.14 H new ATOM 0 HA3 GLY A 66 15.646 5.944 -2.161 1.00 75.14 H new ATOM 1020 N PHE A 67 17.593 5.201 -3.785 1.00 52.13 N ATOM 1021 CA PHE A 67 18.755 4.503 -4.322 1.00 44.52 C ATOM 1022 C PHE A 67 19.973 4.704 -3.424 1.00 53.22 C ATOM 1023 O PHE A 67 20.130 5.752 -2.797 1.00 34.21 O ATOM 1024 CB PHE A 67 19.064 4.997 -5.737 1.00 44.11 C ATOM 1025 CG PHE A 67 19.578 6.408 -5.781 1.00 31.10 C ATOM 1026 CD1 PHE A 67 18.699 7.478 -5.841 1.00 22.55 C ATOM 1027 CD2 PHE A 67 20.939 6.664 -5.763 1.00 44.53 C ATOM 1028 CE1 PHE A 67 19.168 8.777 -5.881 1.00 3.13 C ATOM 1029 CE2 PHE A 67 21.414 7.962 -5.803 1.00 24.22 C ATOM 1030 CZ PHE A 67 20.528 9.019 -5.863 1.00 11.32 C ATOM 0 H PHE A 67 17.758 6.181 -3.556 1.00 52.13 H new ATOM 0 HA PHE A 67 18.524 3.438 -4.358 1.00 44.52 H new ATOM 0 HB2 PHE A 67 19.802 4.336 -6.191 1.00 44.11 H new ATOM 0 HB3 PHE A 67 18.160 4.929 -6.342 1.00 44.11 H new ATOM 0 HD1 PHE A 67 17.635 7.294 -5.857 1.00 22.55 H new ATOM 0 HD2 PHE A 67 21.637 5.841 -5.717 1.00 44.53 H new ATOM 0 HE1 PHE A 67 18.472 9.602 -5.926 1.00 3.13 H new ATOM 0 HE2 PHE A 67 22.478 8.149 -5.787 1.00 24.22 H new ATOM 0 HZ PHE A 67 20.897 10.033 -5.896 1.00 11.32 H new ATOM 1040 N VAL A 68 20.832 3.692 -3.367 1.00 61.34 N ATOM 1041 CA VAL A 68 22.036 3.756 -2.547 1.00 71.23 C ATOM 1042 C VAL A 68 23.292 3.658 -3.406 1.00 52.20 C ATOM 1043 O VAL A 68 23.440 2.734 -4.205 1.00 63.51 O ATOM 1044 CB VAL A 68 22.058 2.632 -1.495 1.00 24.44 C ATOM 1045 CG1 VAL A 68 23.305 2.735 -0.629 1.00 51.11 C ATOM 1046 CG2 VAL A 68 20.801 2.677 -0.640 1.00 53.21 C ATOM 0 H VAL A 68 20.717 2.817 -3.879 1.00 61.34 H new ATOM 0 HA VAL A 68 22.022 4.720 -2.038 1.00 71.23 H new ATOM 0 HB VAL A 68 22.083 1.674 -2.014 1.00 24.44 H new ATOM 0 HG11 VAL A 68 23.303 1.932 0.109 1.00 51.11 H new ATOM 0 HG12 VAL A 68 24.192 2.649 -1.257 1.00 51.11 H new ATOM 0 HG13 VAL A 68 23.314 3.698 -0.118 1.00 51.11 H new ATOM 0 HG21 VAL A 68 20.834 1.875 0.098 1.00 53.21 H new ATOM 0 HG22 VAL A 68 20.743 3.638 -0.129 1.00 53.21 H new ATOM 0 HG23 VAL A 68 19.924 2.550 -1.275 1.00 53.21 H new ATOM 1056 N VAL A 69 24.195 4.619 -3.236 1.00 32.35 N ATOM 1057 CA VAL A 69 25.440 4.641 -3.994 1.00 31.33 C ATOM 1058 C VAL A 69 26.620 4.221 -3.125 1.00 20.13 C ATOM 1059 O VAL A 69 26.914 4.854 -2.111 1.00 24.24 O ATOM 1060 CB VAL A 69 25.717 6.039 -4.577 1.00 5.25 C ATOM 1061 CG1 VAL A 69 26.964 6.017 -5.448 1.00 73.24 C ATOM 1062 CG2 VAL A 69 24.515 6.536 -5.364 1.00 54.02 C ATOM 0 H VAL A 69 24.087 5.392 -2.580 1.00 32.35 H new ATOM 0 HA VAL A 69 25.325 3.931 -4.813 1.00 31.33 H new ATOM 0 HB VAL A 69 25.892 6.729 -3.752 1.00 5.25 H new ATOM 0 HG11 VAL A 69 27.144 7.014 -5.851 1.00 73.24 H new ATOM 0 HG12 VAL A 69 27.821 5.708 -4.849 1.00 73.24 H new ATOM 0 HG13 VAL A 69 26.822 5.314 -6.269 1.00 73.24 H new ATOM 0 HG21 VAL A 69 24.729 7.525 -5.769 1.00 54.02 H new ATOM 0 HG22 VAL A 69 24.306 5.847 -6.182 1.00 54.02 H new ATOM 0 HG23 VAL A 69 23.648 6.593 -4.706 1.00 54.02 H new ATOM 1072 N VAL A 70 27.294 3.149 -3.529 1.00 71.21 N ATOM 1073 CA VAL A 70 28.444 2.644 -2.788 1.00 40.44 C ATOM 1074 C VAL A 70 29.679 2.565 -3.679 1.00 20.54 C ATOM 1075 O VAL A 70 29.696 1.836 -4.670 1.00 21.24 O ATOM 1076 CB VAL A 70 28.162 1.252 -2.194 1.00 60.31 C ATOM 1077 CG1 VAL A 70 29.234 0.875 -1.183 1.00 2.41 C ATOM 1078 CG2 VAL A 70 26.781 1.214 -1.558 1.00 13.10 C ATOM 0 H VAL A 70 27.063 2.613 -4.366 1.00 71.21 H new ATOM 0 HA VAL A 70 28.630 3.346 -1.975 1.00 40.44 H new ATOM 0 HB VAL A 70 28.185 0.520 -3.002 1.00 60.31 H new ATOM 0 HG11 VAL A 70 29.018 -0.112 -0.774 1.00 2.41 H new ATOM 0 HG12 VAL A 70 30.207 0.859 -1.674 1.00 2.41 H new ATOM 0 HG13 VAL A 70 29.247 1.607 -0.376 1.00 2.41 H new ATOM 0 HG21 VAL A 70 26.599 0.223 -1.143 1.00 13.10 H new ATOM 0 HG22 VAL A 70 26.727 1.956 -0.762 1.00 13.10 H new ATOM 0 HG23 VAL A 70 26.027 1.436 -2.313 1.00 13.10 H new ATOM 1088 N ASN A 71 30.712 3.319 -3.318 1.00 11.14 N ATOM 1089 CA ASN A 71 31.953 3.334 -4.084 1.00 74.10 C ATOM 1090 C ASN A 71 33.124 2.853 -3.233 1.00 13.14 C ATOM 1091 O ASN A 71 33.551 3.538 -2.304 1.00 21.34 O ATOM 1092 CB ASN A 71 32.235 4.743 -4.610 1.00 75.43 C ATOM 1093 CG ASN A 71 31.056 5.323 -5.368 1.00 43.22 C ATOM 1094 OD1 ASN A 71 30.821 4.982 -6.527 1.00 74.13 O ATOM 1095 ND2 ASN A 71 30.310 6.206 -4.715 1.00 51.20 N ATOM 0 H ASN A 71 30.714 3.928 -2.500 1.00 11.14 H new ATOM 0 HA ASN A 71 31.838 2.654 -4.928 1.00 74.10 H new ATOM 0 HB2 ASN A 71 32.484 5.397 -3.774 1.00 75.43 H new ATOM 0 HB3 ASN A 71 33.107 4.716 -5.264 1.00 75.43 H new ATOM 0 HD21 ASN A 71 29.504 6.631 -5.174 1.00 51.20 H new ATOM 0 HD22 ASN A 71 30.542 6.459 -3.755 1.00 51.20 H new ATOM 1102 N ALA A 72 33.638 1.672 -3.557 1.00 62.50 N ATOM 1103 CA ALA A 72 34.761 1.100 -2.824 1.00 43.23 C ATOM 1104 C ALA A 72 36.041 1.890 -3.077 1.00 52.41 C ATOM 1105 O ALA A 72 36.867 2.057 -2.179 1.00 74.43 O ATOM 1106 CB ALA A 72 34.955 -0.359 -3.209 1.00 62.04 C ATOM 0 H ALA A 72 33.295 1.092 -4.323 1.00 62.50 H new ATOM 0 HA ALA A 72 34.534 1.156 -1.759 1.00 43.23 H new ATOM 0 HB1 ALA A 72 35.797 -0.773 -2.654 1.00 62.04 H new ATOM 0 HB2 ALA A 72 34.052 -0.921 -2.971 1.00 62.04 H new ATOM 0 HB3 ALA A 72 35.155 -0.430 -4.278 1.00 62.04 H new ATOM 1112 N ASP A 73 36.199 2.375 -4.304 1.00 33.30 N ATOM 1113 CA ASP A 73 37.378 3.148 -4.675 1.00 1.23 C ATOM 1114 C ASP A 73 37.504 4.397 -3.807 1.00 72.24 C ATOM 1115 O ASP A 73 38.606 4.799 -3.435 1.00 22.02 O ATOM 1116 CB ASP A 73 37.313 3.542 -6.151 1.00 55.11 C ATOM 1117 CG ASP A 73 38.672 3.503 -6.822 1.00 13.44 C ATOM 1118 OD1 ASP A 73 39.442 2.561 -6.545 1.00 64.33 O ATOM 1119 OD2 ASP A 73 38.965 4.416 -7.622 1.00 2.42 O ATOM 0 H ASP A 73 35.525 2.246 -5.059 1.00 33.30 H new ATOM 0 HA ASP A 73 38.257 2.524 -4.513 1.00 1.23 H new ATOM 0 HB2 ASP A 73 36.634 2.869 -6.674 1.00 55.11 H new ATOM 0 HB3 ASP A 73 36.897 4.546 -6.238 1.00 55.11 H new ATOM 1124 N LYS A 74 36.367 5.007 -3.490 1.00 1.31 N ATOM 1125 CA LYS A 74 36.348 6.210 -2.666 1.00 43.45 C ATOM 1126 C LYS A 74 36.106 5.863 -1.201 1.00 50.01 C ATOM 1127 O LYS A 74 36.261 6.707 -0.318 1.00 52.13 O ATOM 1128 CB LYS A 74 35.266 7.174 -3.159 1.00 72.51 C ATOM 1129 CG LYS A 74 35.597 7.834 -4.486 1.00 4.10 C ATOM 1130 CD LYS A 74 34.504 8.796 -4.918 1.00 51.45 C ATOM 1131 CE LYS A 74 34.854 9.485 -6.229 1.00 34.11 C ATOM 1132 NZ LYS A 74 35.986 10.439 -6.069 1.00 71.13 N ATOM 0 H LYS A 74 35.446 4.688 -3.791 1.00 1.31 H new ATOM 0 HA LYS A 74 37.322 6.693 -2.750 1.00 43.45 H new ATOM 0 HB2 LYS A 74 34.326 6.632 -3.257 1.00 72.51 H new ATOM 0 HB3 LYS A 74 35.111 7.948 -2.407 1.00 72.51 H new ATOM 0 HG2 LYS A 74 36.542 8.370 -4.401 1.00 4.10 H new ATOM 0 HG3 LYS A 74 35.732 7.069 -5.250 1.00 4.10 H new ATOM 0 HD2 LYS A 74 33.565 8.255 -5.030 1.00 51.45 H new ATOM 0 HD3 LYS A 74 34.350 9.545 -4.142 1.00 51.45 H new ATOM 0 HE2 LYS A 74 35.114 8.735 -6.975 1.00 34.11 H new ATOM 0 HE3 LYS A 74 33.980 10.018 -6.604 1.00 34.11 H new ATOM 0 HZ1 LYS A 74 36.084 11.009 -6.933 1.00 71.13 H new ATOM 0 HZ2 LYS A 74 35.800 11.066 -5.260 1.00 71.13 H new ATOM 0 HZ3 LYS A 74 36.865 9.909 -5.902 1.00 71.13 H new ATOM 1146 N LYS A 75 35.726 4.615 -0.949 1.00 4.04 N ATOM 1147 CA LYS A 75 35.465 4.154 0.410 1.00 43.21 C ATOM 1148 C LYS A 75 34.343 4.963 1.052 1.00 34.43 C ATOM 1149 O LYS A 75 34.403 5.297 2.236 1.00 25.23 O ATOM 1150 CB LYS A 75 36.734 4.259 1.259 1.00 42.51 C ATOM 1151 CG LYS A 75 37.692 3.096 1.068 1.00 11.11 C ATOM 1152 CD LYS A 75 38.658 3.351 -0.077 1.00 1.14 C ATOM 1153 CE LYS A 75 39.824 4.223 0.362 1.00 4.22 C ATOM 1154 NZ LYS A 75 40.735 3.503 1.295 1.00 41.31 N ATOM 0 H LYS A 75 35.592 3.904 -1.668 1.00 4.04 H new ATOM 0 HA LYS A 75 35.154 3.110 0.360 1.00 43.21 H new ATOM 0 HB2 LYS A 75 37.250 5.187 1.013 1.00 42.51 H new ATOM 0 HB3 LYS A 75 36.454 4.319 2.311 1.00 42.51 H new ATOM 0 HG2 LYS A 75 38.253 2.930 1.988 1.00 11.11 H new ATOM 0 HG3 LYS A 75 37.126 2.186 0.872 1.00 11.11 H new ATOM 0 HD2 LYS A 75 39.035 2.401 -0.455 1.00 1.14 H new ATOM 0 HD3 LYS A 75 38.130 3.834 -0.899 1.00 1.14 H new ATOM 0 HE2 LYS A 75 40.385 4.548 -0.514 1.00 4.22 H new ATOM 0 HE3 LYS A 75 39.443 5.121 0.848 1.00 4.22 H new ATOM 0 HZ1 LYS A 75 41.652 3.993 1.333 1.00 41.31 H new ATOM 0 HZ2 LYS A 75 40.314 3.483 2.246 1.00 41.31 H new ATOM 0 HZ3 LYS A 75 40.877 2.529 0.959 1.00 41.31 H new ATOM 1168 N LEU A 76 33.318 5.273 0.265 1.00 22.35 N ATOM 1169 CA LEU A 76 32.180 6.041 0.758 1.00 21.13 C ATOM 1170 C LEU A 76 30.873 5.513 0.175 1.00 23.34 C ATOM 1171 O LEU A 76 30.851 4.959 -0.924 1.00 4.44 O ATOM 1172 CB LEU A 76 32.348 7.520 0.407 1.00 54.22 C ATOM 1173 CG LEU A 76 33.091 7.821 -0.895 1.00 74.34 C ATOM 1174 CD1 LEU A 76 32.250 7.414 -2.096 1.00 22.23 C ATOM 1175 CD2 LEU A 76 33.456 9.296 -0.973 1.00 15.00 C ATOM 0 H LEU A 76 33.252 5.004 -0.717 1.00 22.35 H new ATOM 0 HA LEU A 76 32.142 5.933 1.842 1.00 21.13 H new ATOM 0 HB2 LEU A 76 31.359 7.974 0.351 1.00 54.22 H new ATOM 0 HB3 LEU A 76 32.877 8.009 1.225 1.00 54.22 H new ATOM 0 HG LEU A 76 34.012 7.238 -0.908 1.00 74.34 H new ATOM 0 HD11 LEU A 76 32.795 7.636 -3.014 1.00 22.23 H new ATOM 0 HD12 LEU A 76 32.040 6.346 -2.048 1.00 22.23 H new ATOM 0 HD13 LEU A 76 31.312 7.969 -2.088 1.00 22.23 H new ATOM 0 HD21 LEU A 76 33.984 9.491 -1.906 1.00 15.00 H new ATOM 0 HD22 LEU A 76 32.548 9.898 -0.937 1.00 15.00 H new ATOM 0 HD23 LEU A 76 34.098 9.557 -0.132 1.00 15.00 H new ATOM 1187 N MET A 77 29.786 5.690 0.918 1.00 33.45 N ATOM 1188 CA MET A 77 28.474 5.234 0.473 1.00 30.43 C ATOM 1189 C MET A 77 27.381 6.194 0.931 1.00 74.13 C ATOM 1190 O MET A 77 27.321 6.569 2.101 1.00 2.44 O ATOM 1191 CB MET A 77 28.191 3.828 1.007 1.00 13.22 C ATOM 1192 CG MET A 77 27.767 3.807 2.467 1.00 74.53 C ATOM 1193 SD MET A 77 27.468 2.137 3.079 1.00 61.14 S ATOM 1194 CE MET A 77 26.225 1.569 1.921 1.00 53.40 C ATOM 0 H MET A 77 29.787 6.146 1.831 1.00 33.45 H new ATOM 0 HA MET A 77 28.476 5.207 -0.617 1.00 30.43 H new ATOM 0 HB2 MET A 77 27.408 3.369 0.403 1.00 13.22 H new ATOM 0 HB3 MET A 77 29.085 3.216 0.888 1.00 13.22 H new ATOM 0 HG2 MET A 77 28.541 4.279 3.073 1.00 74.53 H new ATOM 0 HG3 MET A 77 26.861 4.401 2.587 1.00 74.53 H new ATOM 0 HE1 MET A 77 25.479 0.975 2.450 1.00 53.40 H new ATOM 0 HE2 MET A 77 25.741 2.428 1.456 1.00 53.40 H new ATOM 0 HE3 MET A 77 26.697 0.958 1.152 1.00 53.40 H new ATOM 1204 N SER A 78 26.518 6.588 0.000 1.00 74.34 N ATOM 1205 CA SER A 78 25.429 7.508 0.307 1.00 73.32 C ATOM 1206 C SER A 78 24.079 6.886 -0.037 1.00 73.31 C ATOM 1207 O SER A 78 23.916 6.269 -1.090 1.00 42.54 O ATOM 1208 CB SER A 78 25.609 8.819 -0.460 1.00 40.12 C ATOM 1209 OG SER A 78 26.944 9.285 -0.368 1.00 22.44 O ATOM 0 H SER A 78 26.552 6.284 -0.973 1.00 74.34 H new ATOM 0 HA SER A 78 25.452 7.715 1.377 1.00 73.32 H new ATOM 0 HB2 SER A 78 25.344 8.671 -1.507 1.00 40.12 H new ATOM 0 HB3 SER A 78 24.929 9.573 -0.062 1.00 40.12 H new ATOM 0 HG SER A 78 27.033 10.123 -0.868 1.00 22.44 H new ATOM 1215 N VAL A 79 23.112 7.052 0.860 1.00 71.20 N ATOM 1216 CA VAL A 79 21.775 6.508 0.653 1.00 51.44 C ATOM 1217 C VAL A 79 20.735 7.621 0.580 1.00 72.41 C ATOM 1218 O VAL A 79 20.564 8.387 1.527 1.00 15.35 O ATOM 1219 CB VAL A 79 21.386 5.530 1.777 1.00 63.22 C ATOM 1220 CG1 VAL A 79 20.029 4.904 1.495 1.00 70.04 C ATOM 1221 CG2 VAL A 79 22.453 4.458 1.942 1.00 71.22 C ATOM 0 H VAL A 79 23.230 7.559 1.737 1.00 71.20 H new ATOM 0 HA VAL A 79 21.795 5.970 -0.295 1.00 51.44 H new ATOM 0 HB VAL A 79 21.315 6.087 2.711 1.00 63.22 H new ATOM 0 HG11 VAL A 79 19.771 4.216 2.300 1.00 70.04 H new ATOM 0 HG12 VAL A 79 19.273 5.687 1.431 1.00 70.04 H new ATOM 0 HG13 VAL A 79 20.068 4.360 0.551 1.00 70.04 H new ATOM 0 HG21 VAL A 79 22.162 3.775 2.740 1.00 71.22 H new ATOM 0 HG22 VAL A 79 22.558 3.903 1.010 1.00 71.22 H new ATOM 0 HG23 VAL A 79 23.404 4.927 2.194 1.00 71.22 H new ATOM 1231 N SER A 80 20.042 7.702 -0.552 1.00 11.35 N ATOM 1232 CA SER A 80 19.020 8.723 -0.750 1.00 11.30 C ATOM 1233 C SER A 80 17.648 8.087 -0.949 1.00 73.24 C ATOM 1234 O SER A 80 17.438 7.316 -1.886 1.00 65.31 O ATOM 1235 CB SER A 80 19.369 9.597 -1.956 1.00 44.20 C ATOM 1236 OG SER A 80 18.334 10.524 -2.231 1.00 53.42 O ATOM 0 H SER A 80 20.170 7.073 -1.345 1.00 11.35 H new ATOM 0 HA SER A 80 18.986 9.346 0.144 1.00 11.30 H new ATOM 0 HB2 SER A 80 20.299 10.132 -1.764 1.00 44.20 H new ATOM 0 HB3 SER A 80 19.538 8.967 -2.829 1.00 44.20 H new ATOM 0 HG SER A 80 18.582 11.071 -3.005 1.00 53.42 H new ATOM 1242 N PHE A 81 16.715 8.415 -0.061 1.00 44.53 N ATOM 1243 CA PHE A 81 15.363 7.876 -0.138 1.00 33.02 C ATOM 1244 C PHE A 81 14.328 8.961 0.144 1.00 13.21 C ATOM 1245 O PHE A 81 14.551 9.847 0.969 1.00 54.53 O ATOM 1246 CB PHE A 81 15.194 6.724 0.855 1.00 75.23 C ATOM 1247 CG PHE A 81 15.801 6.998 2.201 1.00 52.12 C ATOM 1248 CD1 PHE A 81 15.233 7.929 3.055 1.00 15.03 C ATOM 1249 CD2 PHE A 81 16.940 6.325 2.611 1.00 5.44 C ATOM 1250 CE1 PHE A 81 15.789 8.184 4.295 1.00 73.42 C ATOM 1251 CE2 PHE A 81 17.501 6.575 3.850 1.00 53.42 C ATOM 1252 CZ PHE A 81 16.925 7.506 4.692 1.00 11.51 C ATOM 0 H PHE A 81 16.871 9.052 0.720 1.00 44.53 H new ATOM 0 HA PHE A 81 15.205 7.502 -1.149 1.00 33.02 H new ATOM 0 HB2 PHE A 81 14.131 6.516 0.980 1.00 75.23 H new ATOM 0 HB3 PHE A 81 15.648 5.825 0.437 1.00 75.23 H new ATOM 0 HD1 PHE A 81 14.345 8.462 2.749 1.00 15.03 H new ATOM 0 HD2 PHE A 81 17.395 5.597 1.956 1.00 5.44 H new ATOM 0 HE1 PHE A 81 15.336 8.912 4.952 1.00 73.42 H new ATOM 0 HE2 PHE A 81 18.389 6.043 4.159 1.00 53.42 H new ATOM 0 HZ PHE A 81 17.362 7.704 5.660 1.00 11.51 H new ATOM 1262 N SER A 82 13.195 8.884 -0.548 1.00 2.35 N ATOM 1263 CA SER A 82 12.127 9.862 -0.376 1.00 32.23 C ATOM 1264 C SER A 82 10.861 9.195 0.154 1.00 12.22 C ATOM 1265 O SER A 82 10.645 8.000 -0.046 1.00 72.14 O ATOM 1266 CB SER A 82 11.830 10.563 -1.703 1.00 3.24 C ATOM 1267 OG SER A 82 12.635 11.719 -1.859 1.00 61.04 O ATOM 0 H SER A 82 12.993 8.155 -1.232 1.00 2.35 H new ATOM 0 HA SER A 82 12.459 10.603 0.351 1.00 32.23 H new ATOM 0 HB2 SER A 82 12.010 9.876 -2.530 1.00 3.24 H new ATOM 0 HB3 SER A 82 10.777 10.841 -1.744 1.00 3.24 H new ATOM 0 HG SER A 82 12.428 12.149 -2.715 1.00 61.04 H new ATOM 1273 N ASP A 83 10.028 9.977 0.832 1.00 54.23 N ATOM 1274 CA ASP A 83 8.782 9.465 1.390 1.00 31.44 C ATOM 1275 C ASP A 83 8.947 8.020 1.852 1.00 61.14 C ATOM 1276 O ASP A 83 8.638 7.084 1.114 1.00 33.41 O ATOM 1277 CB ASP A 83 7.658 9.558 0.357 1.00 21.22 C ATOM 1278 CG ASP A 83 7.054 10.947 0.282 1.00 25.50 C ATOM 1279 OD1 ASP A 83 7.436 11.804 1.105 1.00 0.13 O ATOM 1280 OD2 ASP A 83 6.200 11.175 -0.600 1.00 13.44 O ATOM 0 H ASP A 83 10.193 10.968 1.008 1.00 54.23 H new ATOM 0 HA ASP A 83 8.522 10.077 2.254 1.00 31.44 H new ATOM 0 HB2 ASP A 83 8.045 9.280 -0.623 1.00 21.22 H new ATOM 0 HB3 ASP A 83 6.878 8.839 0.607 1.00 21.22 H new ATOM 1285 N ILE A 84 9.437 7.847 3.074 1.00 22.14 N ATOM 1286 CA ILE A 84 9.643 6.517 3.633 1.00 23.51 C ATOM 1287 C ILE A 84 9.112 6.431 5.060 1.00 3.20 C ATOM 1288 O ILE A 84 8.392 7.318 5.519 1.00 4.05 O ATOM 1289 CB ILE A 84 11.134 6.129 3.628 1.00 72.50 C ATOM 1290 CG1 ILE A 84 11.893 6.920 4.695 1.00 31.32 C ATOM 1291 CG2 ILE A 84 11.739 6.368 2.253 1.00 53.12 C ATOM 1292 CD1 ILE A 84 13.096 6.189 5.247 1.00 24.54 C ATOM 0 H ILE A 84 9.699 8.611 3.696 1.00 22.14 H new ATOM 0 HA ILE A 84 9.092 5.821 3.001 1.00 23.51 H new ATOM 0 HB ILE A 84 11.219 5.068 3.861 1.00 72.50 H new ATOM 0 HG12 ILE A 84 12.219 7.869 4.269 1.00 31.32 H new ATOM 0 HG13 ILE A 84 11.213 7.155 5.514 1.00 31.32 H new ATOM 0 HG21 ILE A 84 12.793 6.089 2.266 1.00 53.12 H new ATOM 0 HG22 ILE A 84 11.213 5.764 1.514 1.00 53.12 H new ATOM 0 HG23 ILE A 84 11.646 7.422 1.993 1.00 53.12 H new ATOM 0 HD11 ILE A 84 13.585 6.809 5.998 1.00 24.54 H new ATOM 0 HD12 ILE A 84 12.775 5.252 5.703 1.00 24.54 H new ATOM 0 HD13 ILE A 84 13.796 5.978 4.439 1.00 24.54 H new ATOM 1304 N ASP A 85 9.474 5.359 5.757 1.00 53.53 N ATOM 1305 CA ASP A 85 9.036 5.159 7.133 1.00 2.14 C ATOM 1306 C ASP A 85 10.177 4.624 7.994 1.00 72.15 C ATOM 1307 O ASP A 85 11.198 4.174 7.476 1.00 62.13 O ATOM 1308 CB ASP A 85 7.850 4.194 7.179 1.00 44.21 C ATOM 1309 CG ASP A 85 6.734 4.604 6.238 1.00 64.40 C ATOM 1310 OD1 ASP A 85 5.962 5.516 6.597 1.00 54.45 O ATOM 1311 OD2 ASP A 85 6.633 4.011 5.143 1.00 23.43 O ATOM 0 H ASP A 85 10.069 4.616 5.391 1.00 53.53 H new ATOM 0 HA ASP A 85 8.724 6.124 7.533 1.00 2.14 H new ATOM 0 HB2 ASP A 85 8.190 3.192 6.919 1.00 44.21 H new ATOM 0 HB3 ASP A 85 7.464 4.146 8.197 1.00 44.21 H new ATOM 1316 N GLU A 86 9.995 4.678 9.309 1.00 35.43 N ATOM 1317 CA GLU A 86 11.010 4.200 10.241 1.00 72.25 C ATOM 1318 C GLU A 86 11.191 2.689 10.120 1.00 11.41 C ATOM 1319 O GLU A 86 12.256 2.155 10.425 1.00 1.22 O ATOM 1320 CB GLU A 86 10.629 4.566 11.677 1.00 62.14 C ATOM 1321 CG GLU A 86 9.319 3.948 12.136 1.00 63.34 C ATOM 1322 CD GLU A 86 8.878 4.457 13.494 1.00 50.32 C ATOM 1323 OE1 GLU A 86 9.750 4.656 14.366 1.00 74.24 O ATOM 1324 OE2 GLU A 86 7.660 4.658 13.684 1.00 20.24 O ATOM 0 H GLU A 86 9.155 5.048 9.753 1.00 35.43 H new ATOM 0 HA GLU A 86 11.954 4.683 9.989 1.00 72.25 H new ATOM 0 HB2 GLU A 86 11.426 4.247 12.348 1.00 62.14 H new ATOM 0 HB3 GLU A 86 10.558 5.651 11.760 1.00 62.14 H new ATOM 0 HG2 GLU A 86 8.543 4.164 11.402 1.00 63.34 H new ATOM 0 HG3 GLU A 86 9.427 2.864 12.176 1.00 63.34 H new ATOM 1331 N ASN A 87 10.141 2.007 9.673 1.00 2.33 N ATOM 1332 CA ASN A 87 10.183 0.558 9.513 1.00 1.33 C ATOM 1333 C ASN A 87 11.289 0.150 8.545 1.00 60.30 C ATOM 1334 O ASN A 87 12.113 -0.710 8.856 1.00 44.45 O ATOM 1335 CB ASN A 87 8.834 0.040 9.012 1.00 54.53 C ATOM 1336 CG ASN A 87 7.777 0.033 10.099 1.00 13.22 C ATOM 1337 OD1 ASN A 87 6.879 0.875 10.113 1.00 14.11 O ATOM 1338 ND2 ASN A 87 7.880 -0.920 11.018 1.00 72.32 N ATOM 0 H ASN A 87 9.251 2.434 9.415 1.00 2.33 H new ATOM 0 HA ASN A 87 10.395 0.116 10.486 1.00 1.33 H new ATOM 0 HB2 ASN A 87 8.495 0.661 8.183 1.00 54.53 H new ATOM 0 HB3 ASN A 87 8.958 -0.971 8.623 1.00 54.53 H new ATOM 0 HD21 ASN A 87 7.198 -0.975 11.775 1.00 72.32 H new ATOM 0 HD22 ASN A 87 8.641 -1.597 10.967 1.00 72.32 H new ATOM 1345 N MET A 88 11.300 0.772 7.371 1.00 52.31 N ATOM 1346 CA MET A 88 12.306 0.475 6.358 1.00 74.33 C ATOM 1347 C MET A 88 13.614 1.199 6.661 1.00 75.30 C ATOM 1348 O MET A 88 14.698 0.691 6.372 1.00 15.31 O ATOM 1349 CB MET A 88 11.797 0.874 4.971 1.00 4.42 C ATOM 1350 CG MET A 88 11.371 2.331 4.877 1.00 64.54 C ATOM 1351 SD MET A 88 9.971 2.574 3.767 1.00 65.15 S ATOM 1352 CE MET A 88 10.497 1.620 2.345 1.00 61.14 C ATOM 0 H MET A 88 10.624 1.485 7.097 1.00 52.31 H new ATOM 0 HA MET A 88 12.495 -0.598 6.373 1.00 74.33 H new ATOM 0 HB2 MET A 88 12.580 0.685 4.237 1.00 4.42 H new ATOM 0 HB3 MET A 88 10.952 0.239 4.706 1.00 4.42 H new ATOM 0 HG2 MET A 88 11.109 2.694 5.871 1.00 64.54 H new ATOM 0 HG3 MET A 88 12.213 2.930 4.530 1.00 64.54 H new ATOM 0 HE1 MET A 88 10.580 2.275 1.478 1.00 61.14 H new ATOM 0 HE2 MET A 88 11.466 1.165 2.550 1.00 61.14 H new ATOM 0 HE3 MET A 88 9.765 0.838 2.141 1.00 61.14 H new ATOM 1362 N LYS A 89 13.505 2.387 7.245 1.00 41.44 N ATOM 1363 CA LYS A 89 14.679 3.181 7.588 1.00 14.53 C ATOM 1364 C LYS A 89 15.675 2.358 8.398 1.00 61.34 C ATOM 1365 O LYS A 89 16.886 2.464 8.204 1.00 24.22 O ATOM 1366 CB LYS A 89 14.265 4.424 8.381 1.00 62.33 C ATOM 1367 CG LYS A 89 15.308 5.528 8.369 1.00 62.21 C ATOM 1368 CD LYS A 89 14.994 6.603 9.395 1.00 15.22 C ATOM 1369 CE LYS A 89 13.889 7.529 8.911 1.00 14.50 C ATOM 1370 NZ LYS A 89 13.414 8.439 9.991 1.00 61.42 N ATOM 0 H LYS A 89 12.616 2.822 7.491 1.00 41.44 H new ATOM 0 HA LYS A 89 15.160 3.492 6.661 1.00 14.53 H new ATOM 0 HB2 LYS A 89 13.332 4.812 7.971 1.00 62.33 H new ATOM 0 HB3 LYS A 89 14.064 4.136 9.413 1.00 62.33 H new ATOM 0 HG2 LYS A 89 16.291 5.104 8.575 1.00 62.21 H new ATOM 0 HG3 LYS A 89 15.355 5.974 7.376 1.00 62.21 H new ATOM 0 HD2 LYS A 89 14.694 6.136 10.333 1.00 15.22 H new ATOM 0 HD3 LYS A 89 15.893 7.184 9.602 1.00 15.22 H new ATOM 0 HE2 LYS A 89 14.253 8.121 8.071 1.00 14.50 H new ATOM 0 HE3 LYS A 89 13.053 6.935 8.543 1.00 14.50 H new ATOM 0 HZ1 LYS A 89 12.661 9.054 9.621 1.00 61.42 H new ATOM 0 HZ2 LYS A 89 13.043 7.875 10.782 1.00 61.42 H new ATOM 0 HZ3 LYS A 89 14.206 9.024 10.325 1.00 61.42 H new ATOM 1384 N LYS A 90 15.158 1.535 9.304 1.00 13.40 N ATOM 1385 CA LYS A 90 16.001 0.691 10.141 1.00 21.34 C ATOM 1386 C LYS A 90 16.874 -0.223 9.287 1.00 31.55 C ATOM 1387 O LYS A 90 18.036 -0.468 9.611 1.00 62.40 O ATOM 1388 CB LYS A 90 15.139 -0.148 11.088 1.00 51.13 C ATOM 1389 CG LYS A 90 14.424 -1.299 10.401 1.00 44.35 C ATOM 1390 CD LYS A 90 15.215 -2.592 10.512 1.00 53.34 C ATOM 1391 CE LYS A 90 15.170 -3.153 11.925 1.00 54.24 C ATOM 1392 NZ LYS A 90 16.244 -4.157 12.157 1.00 5.23 N ATOM 0 H LYS A 90 14.158 1.435 9.477 1.00 13.40 H new ATOM 0 HA LYS A 90 16.650 1.339 10.729 1.00 21.34 H new ATOM 0 HB2 LYS A 90 15.769 -0.546 11.883 1.00 51.13 H new ATOM 0 HB3 LYS A 90 14.399 0.498 11.561 1.00 51.13 H new ATOM 0 HG2 LYS A 90 13.439 -1.435 10.847 1.00 44.35 H new ATOM 0 HG3 LYS A 90 14.268 -1.056 9.350 1.00 44.35 H new ATOM 0 HD2 LYS A 90 14.813 -3.327 9.815 1.00 53.34 H new ATOM 0 HD3 LYS A 90 16.251 -2.412 10.224 1.00 53.34 H new ATOM 0 HE2 LYS A 90 15.273 -2.339 12.642 1.00 54.24 H new ATOM 0 HE3 LYS A 90 14.198 -3.613 12.102 1.00 54.24 H new ATOM 0 HZ1 LYS A 90 16.180 -4.516 13.131 1.00 5.23 H new ATOM 0 HZ2 LYS A 90 16.131 -4.946 11.489 1.00 5.23 H new ATOM 0 HZ3 LYS A 90 17.173 -3.712 12.013 1.00 5.23 H new ATOM 1406 N VAL A 91 16.307 -0.724 8.195 1.00 74.53 N ATOM 1407 CA VAL A 91 17.034 -1.609 7.293 1.00 60.42 C ATOM 1408 C VAL A 91 18.082 -0.841 6.495 1.00 12.14 C ATOM 1409 O VAL A 91 19.170 -1.351 6.228 1.00 71.24 O ATOM 1410 CB VAL A 91 16.081 -2.321 6.315 1.00 75.14 C ATOM 1411 CG1 VAL A 91 14.684 -2.423 6.909 1.00 50.42 C ATOM 1412 CG2 VAL A 91 16.049 -1.594 4.979 1.00 71.44 C ATOM 0 H VAL A 91 15.346 -0.532 7.913 1.00 74.53 H new ATOM 0 HA VAL A 91 17.529 -2.355 7.914 1.00 60.42 H new ATOM 0 HB VAL A 91 16.452 -3.332 6.145 1.00 75.14 H new ATOM 0 HG11 VAL A 91 14.025 -2.929 6.204 1.00 50.42 H new ATOM 0 HG12 VAL A 91 14.725 -2.990 7.839 1.00 50.42 H new ATOM 0 HG13 VAL A 91 14.300 -1.423 7.111 1.00 50.42 H new ATOM 0 HG21 VAL A 91 15.371 -2.111 4.300 1.00 71.44 H new ATOM 0 HG22 VAL A 91 15.703 -0.571 5.129 1.00 71.44 H new ATOM 0 HG23 VAL A 91 17.051 -1.578 4.549 1.00 71.44 H new ATOM 1422 N ILE A 92 17.746 0.389 6.119 1.00 25.43 N ATOM 1423 CA ILE A 92 18.659 1.228 5.354 1.00 43.33 C ATOM 1424 C ILE A 92 19.872 1.625 6.189 1.00 40.44 C ATOM 1425 O ILE A 92 21.011 1.537 5.730 1.00 24.15 O ATOM 1426 CB ILE A 92 17.960 2.503 4.846 1.00 11.12 C ATOM 1427 CG1 ILE A 92 16.559 2.171 4.328 1.00 62.42 C ATOM 1428 CG2 ILE A 92 18.790 3.165 3.757 1.00 45.01 C ATOM 1429 CD1 ILE A 92 15.959 3.261 3.468 1.00 73.41 C ATOM 0 H ILE A 92 16.849 0.826 6.332 1.00 25.43 H new ATOM 0 HA ILE A 92 18.987 0.638 4.498 1.00 43.33 H new ATOM 0 HB ILE A 92 17.864 3.202 5.677 1.00 11.12 H new ATOM 0 HG12 ILE A 92 16.603 1.247 3.751 1.00 62.42 H new ATOM 0 HG13 ILE A 92 15.901 1.986 5.177 1.00 62.42 H new ATOM 0 HG21 ILE A 92 18.282 4.064 3.409 1.00 45.01 H new ATOM 0 HG22 ILE A 92 19.768 3.432 4.157 1.00 45.01 H new ATOM 0 HG23 ILE A 92 18.915 2.473 2.924 1.00 45.01 H new ATOM 0 HD11 ILE A 92 14.966 2.958 3.136 1.00 73.41 H new ATOM 0 HD12 ILE A 92 15.882 4.181 4.048 1.00 73.41 H new ATOM 0 HD13 ILE A 92 16.595 3.431 2.600 1.00 73.41 H new ATOM 1441 N LYS A 93 19.620 2.062 7.418 1.00 53.11 N ATOM 1442 CA LYS A 93 20.690 2.470 8.320 1.00 11.31 C ATOM 1443 C LYS A 93 21.575 1.283 8.686 1.00 2.44 C ATOM 1444 O LYS A 93 22.801 1.394 8.707 1.00 54.11 O ATOM 1445 CB LYS A 93 20.105 3.095 9.589 1.00 71.50 C ATOM 1446 CG LYS A 93 21.051 4.058 10.284 1.00 14.44 C ATOM 1447 CD LYS A 93 20.989 5.444 9.665 1.00 42.42 C ATOM 1448 CE LYS A 93 21.923 6.414 10.373 1.00 20.44 C ATOM 1449 NZ LYS A 93 23.354 6.080 10.134 1.00 24.24 N ATOM 0 H LYS A 93 18.683 2.143 7.813 1.00 53.11 H new ATOM 0 HA LYS A 93 21.302 3.212 7.806 1.00 11.31 H new ATOM 0 HB2 LYS A 93 19.186 3.622 9.334 1.00 71.50 H new ATOM 0 HB3 LYS A 93 19.834 2.300 10.284 1.00 71.50 H new ATOM 0 HG2 LYS A 93 20.797 4.119 11.342 1.00 14.44 H new ATOM 0 HG3 LYS A 93 22.070 3.676 10.223 1.00 14.44 H new ATOM 0 HD2 LYS A 93 21.256 5.385 8.610 1.00 42.42 H new ATOM 0 HD3 LYS A 93 19.967 5.820 9.714 1.00 42.42 H new ATOM 0 HE2 LYS A 93 21.724 7.428 10.027 1.00 20.44 H new ATOM 0 HE3 LYS A 93 21.720 6.397 11.444 1.00 20.44 H new ATOM 0 HZ1 LYS A 93 23.956 6.828 10.532 1.00 24.24 H new ATOM 0 HZ2 LYS A 93 23.580 5.174 10.591 1.00 24.24 H new ATOM 0 HZ3 LYS A 93 23.527 6.004 9.111 1.00 24.24 H new ATOM 1463 N ALA A 94 20.946 0.148 8.973 1.00 3.34 N ATOM 1464 CA ALA A 94 21.677 -1.060 9.335 1.00 4.32 C ATOM 1465 C ALA A 94 22.555 -1.536 8.183 1.00 43.12 C ATOM 1466 O ALA A 94 23.674 -2.006 8.393 1.00 1.42 O ATOM 1467 CB ALA A 94 20.710 -2.157 9.752 1.00 33.25 C ATOM 0 H ALA A 94 19.932 0.040 8.962 1.00 3.34 H new ATOM 0 HA ALA A 94 22.326 -0.823 10.178 1.00 4.32 H new ATOM 0 HB1 ALA A 94 21.270 -3.053 10.020 1.00 33.25 H new ATOM 0 HB2 ALA A 94 20.129 -1.822 10.611 1.00 33.25 H new ATOM 0 HB3 ALA A 94 20.037 -2.383 8.925 1.00 33.25 H new ATOM 1473 N THR A 95 22.041 -1.413 6.963 1.00 41.40 N ATOM 1474 CA THR A 95 22.777 -1.832 5.777 1.00 24.12 C ATOM 1475 C THR A 95 23.978 -0.927 5.527 1.00 52.35 C ATOM 1476 O THR A 95 25.080 -1.402 5.256 1.00 70.24 O ATOM 1477 CB THR A 95 21.877 -1.830 4.527 1.00 23.22 C ATOM 1478 OG1 THR A 95 20.853 -2.822 4.660 1.00 54.42 O ATOM 1479 CG2 THR A 95 22.693 -2.102 3.272 1.00 3.44 C ATOM 0 H THR A 95 21.117 -1.026 6.771 1.00 41.40 H new ATOM 0 HA THR A 95 23.124 -2.848 5.963 1.00 24.12 H new ATOM 0 HB THR A 95 21.419 -0.845 4.437 1.00 23.22 H new ATOM 0 HG1 THR A 95 20.126 -2.470 5.215 1.00 54.42 H new ATOM 0 HG21 THR A 95 22.036 -2.096 2.402 1.00 3.44 H new ATOM 0 HG22 THR A 95 23.453 -1.329 3.158 1.00 3.44 H new ATOM 0 HG23 THR A 95 23.175 -3.076 3.355 1.00 3.44 H new ATOM 1487 N ALA A 96 23.757 0.381 5.619 1.00 33.53 N ATOM 1488 CA ALA A 96 24.822 1.352 5.405 1.00 13.51 C ATOM 1489 C ALA A 96 25.867 1.274 6.512 1.00 2.24 C ATOM 1490 O ALA A 96 27.067 1.230 6.243 1.00 40.11 O ATOM 1491 CB ALA A 96 24.244 2.758 5.320 1.00 65.31 C ATOM 0 H ALA A 96 22.850 0.792 5.840 1.00 33.53 H new ATOM 0 HA ALA A 96 25.313 1.114 4.461 1.00 13.51 H new ATOM 0 HB1 ALA A 96 25.050 3.474 5.160 1.00 65.31 H new ATOM 0 HB2 ALA A 96 23.540 2.812 4.489 1.00 65.31 H new ATOM 0 HB3 ALA A 96 23.727 2.996 6.250 1.00 65.31 H new ATOM 1497 N GLU A 97 25.403 1.258 7.758 1.00 3.11 N ATOM 1498 CA GLU A 97 26.300 1.187 8.906 1.00 61.24 C ATOM 1499 C GLU A 97 27.092 -0.117 8.897 1.00 64.42 C ATOM 1500 O GLU A 97 28.246 -0.160 9.326 1.00 54.11 O ATOM 1501 CB GLU A 97 25.507 1.306 10.209 1.00 62.21 C ATOM 1502 CG GLU A 97 24.849 0.006 10.642 1.00 40.53 C ATOM 1503 CD GLU A 97 25.771 -0.867 11.470 1.00 62.01 C ATOM 1504 OE1 GLU A 97 26.375 -0.347 12.432 1.00 54.33 O ATOM 1505 OE2 GLU A 97 25.890 -2.070 11.157 1.00 52.14 O ATOM 0 H GLU A 97 24.412 1.293 7.998 1.00 3.11 H new ATOM 0 HA GLU A 97 27.001 2.019 8.839 1.00 61.24 H new ATOM 0 HB2 GLU A 97 26.174 1.647 11.001 1.00 62.21 H new ATOM 0 HB3 GLU A 97 24.739 2.070 10.089 1.00 62.21 H new ATOM 0 HG2 GLU A 97 23.953 0.232 11.220 1.00 40.53 H new ATOM 0 HG3 GLU A 97 24.528 -0.546 9.759 1.00 40.53 H new ATOM 1512 N LYS A 98 26.465 -1.180 8.405 1.00 31.52 N ATOM 1513 CA LYS A 98 27.109 -2.487 8.339 1.00 41.13 C ATOM 1514 C LYS A 98 28.398 -2.417 7.527 1.00 65.03 C ATOM 1515 O LYS A 98 29.396 -3.050 7.872 1.00 63.42 O ATOM 1516 CB LYS A 98 26.160 -3.516 7.721 1.00 53.34 C ATOM 1517 CG LYS A 98 26.776 -4.895 7.565 1.00 72.25 C ATOM 1518 CD LYS A 98 26.226 -5.871 8.592 1.00 43.14 C ATOM 1519 CE LYS A 98 27.247 -6.941 8.946 1.00 63.23 C ATOM 1520 NZ LYS A 98 26.996 -7.523 10.293 1.00 21.32 N ATOM 0 H LYS A 98 25.511 -1.162 8.046 1.00 31.52 H new ATOM 0 HA LYS A 98 27.356 -2.794 9.355 1.00 41.13 H new ATOM 0 HB2 LYS A 98 25.268 -3.594 8.342 1.00 53.34 H new ATOM 0 HB3 LYS A 98 25.837 -3.159 6.743 1.00 53.34 H new ATOM 0 HG2 LYS A 98 26.578 -5.271 6.561 1.00 72.25 H new ATOM 0 HG3 LYS A 98 27.859 -4.825 7.671 1.00 72.25 H new ATOM 0 HD2 LYS A 98 25.938 -5.329 9.493 1.00 43.14 H new ATOM 0 HD3 LYS A 98 25.324 -6.342 8.201 1.00 43.14 H new ATOM 0 HE2 LYS A 98 27.218 -7.733 8.197 1.00 63.23 H new ATOM 0 HE3 LYS A 98 28.248 -6.511 8.917 1.00 63.23 H new ATOM 0 HZ1 LYS A 98 27.713 -8.248 10.497 1.00 21.32 H new ATOM 0 HZ2 LYS A 98 27.049 -6.772 11.011 1.00 21.32 H new ATOM 0 HZ3 LYS A 98 26.051 -7.956 10.314 1.00 21.32 H new ATOM 1534 N PHE A 99 28.371 -1.642 6.447 1.00 23.43 N ATOM 1535 CA PHE A 99 29.538 -1.489 5.586 1.00 24.54 C ATOM 1536 C PHE A 99 30.669 -0.778 6.324 1.00 20.43 C ATOM 1537 O PHE A 99 31.847 -1.057 6.097 1.00 35.22 O ATOM 1538 CB PHE A 99 29.168 -0.709 4.323 1.00 23.05 C ATOM 1539 CG PHE A 99 28.661 -1.578 3.209 1.00 75.31 C ATOM 1540 CD1 PHE A 99 29.494 -2.501 2.598 1.00 61.05 C ATOM 1541 CD2 PHE A 99 27.350 -1.473 2.773 1.00 74.32 C ATOM 1542 CE1 PHE A 99 29.029 -3.301 1.571 1.00 24.51 C ATOM 1543 CE2 PHE A 99 26.879 -2.271 1.747 1.00 22.51 C ATOM 1544 CZ PHE A 99 27.720 -3.188 1.146 1.00 1.52 C ATOM 0 H PHE A 99 27.554 -1.110 6.148 1.00 23.43 H new ATOM 0 HA PHE A 99 29.882 -2.484 5.302 1.00 24.54 H new ATOM 0 HB2 PHE A 99 28.406 0.030 4.572 1.00 23.05 H new ATOM 0 HB3 PHE A 99 30.043 -0.160 3.975 1.00 23.05 H new ATOM 0 HD1 PHE A 99 30.518 -2.597 2.928 1.00 61.05 H new ATOM 0 HD2 PHE A 99 26.688 -0.759 3.240 1.00 74.32 H new ATOM 0 HE1 PHE A 99 29.690 -4.015 1.101 1.00 24.51 H new ATOM 0 HE2 PHE A 99 25.855 -2.178 1.416 1.00 22.51 H new ATOM 0 HZ PHE A 99 27.355 -3.815 0.346 1.00 1.52 H new ATOM 1554 N LYS A 100 30.303 0.143 7.209 1.00 74.20 N ATOM 1555 CA LYS A 100 31.284 0.895 7.982 1.00 33.00 C ATOM 1556 C LYS A 100 32.118 -0.036 8.856 1.00 71.43 C ATOM 1557 O LYS A 100 33.274 0.253 9.160 1.00 10.44 O ATOM 1558 CB LYS A 100 30.584 1.939 8.855 1.00 51.33 C ATOM 1559 CG LYS A 100 31.543 2.842 9.610 1.00 5.15 C ATOM 1560 CD LYS A 100 30.883 4.153 10.004 1.00 62.13 C ATOM 1561 CE LYS A 100 31.035 5.202 8.913 1.00 13.53 C ATOM 1562 NZ LYS A 100 30.358 6.479 9.274 1.00 31.11 N ATOM 0 H LYS A 100 29.333 0.387 7.409 1.00 74.20 H new ATOM 0 HA LYS A 100 31.949 1.401 7.283 1.00 33.00 H new ATOM 0 HB2 LYS A 100 29.939 2.553 8.226 1.00 51.33 H new ATOM 0 HB3 LYS A 100 29.939 1.429 9.571 1.00 51.33 H new ATOM 0 HG2 LYS A 100 31.899 2.330 10.504 1.00 5.15 H new ATOM 0 HG3 LYS A 100 32.416 3.045 8.990 1.00 5.15 H new ATOM 0 HD2 LYS A 100 29.825 3.984 10.203 1.00 62.13 H new ATOM 0 HD3 LYS A 100 31.326 4.521 10.929 1.00 62.13 H new ATOM 0 HE2 LYS A 100 32.094 5.390 8.735 1.00 13.53 H new ATOM 0 HE3 LYS A 100 30.618 4.820 7.981 1.00 13.53 H new ATOM 0 HZ1 LYS A 100 30.484 7.168 8.505 1.00 31.11 H new ATOM 0 HZ2 LYS A 100 29.343 6.305 9.420 1.00 31.11 H new ATOM 0 HZ3 LYS A 100 30.773 6.857 10.149 1.00 31.11 H new ATOM 1576 N ASN A 101 31.524 -1.157 9.254 1.00 13.42 N ATOM 1577 CA ASN A 101 32.213 -2.131 10.092 1.00 21.02 C ATOM 1578 C ASN A 101 33.428 -2.706 9.371 1.00 70.34 C ATOM 1579 O ASN A 101 34.307 -3.304 9.991 1.00 5.12 O ATOM 1580 CB ASN A 101 31.259 -3.260 10.488 1.00 41.21 C ATOM 1581 CG ASN A 101 30.123 -2.775 11.368 1.00 23.01 C ATOM 1582 OD1 ASN A 101 29.962 -1.574 11.588 1.00 65.42 O ATOM 1583 ND2 ASN A 101 29.329 -3.710 11.877 1.00 51.31 N ATOM 0 H ASN A 101 30.567 -1.413 9.009 1.00 13.42 H new ATOM 0 HA ASN A 101 32.555 -1.621 10.993 1.00 21.02 H new ATOM 0 HB2 ASN A 101 30.848 -3.717 9.588 1.00 41.21 H new ATOM 0 HB3 ASN A 101 31.816 -4.035 11.013 1.00 41.21 H new ATOM 0 HD21 ASN A 101 28.548 -3.445 12.477 1.00 51.31 H new ATOM 0 HD22 ASN A 101 29.500 -4.694 11.668 1.00 51.31 H new ATOM 1590 N LYS A 102 33.470 -2.521 8.055 1.00 24.45 N ATOM 1591 CA LYS A 102 34.577 -3.019 7.248 1.00 64.43 C ATOM 1592 C LYS A 102 35.529 -1.888 6.873 1.00 63.15 C ATOM 1593 O LYS A 102 36.468 -2.083 6.101 1.00 33.54 O ATOM 1594 CB LYS A 102 34.048 -3.696 5.981 1.00 13.41 C ATOM 1595 CG LYS A 102 34.039 -5.212 6.060 1.00 71.44 C ATOM 1596 CD LYS A 102 35.427 -5.790 5.839 1.00 32.32 C ATOM 1597 CE LYS A 102 35.408 -7.311 5.862 1.00 14.03 C ATOM 1598 NZ LYS A 102 34.698 -7.875 4.681 1.00 41.24 N ATOM 0 H LYS A 102 32.750 -2.030 7.525 1.00 24.45 H new ATOM 0 HA LYS A 102 35.126 -3.750 7.841 1.00 64.43 H new ATOM 0 HB2 LYS A 102 33.034 -3.345 5.788 1.00 13.41 H new ATOM 0 HB3 LYS A 102 34.659 -3.388 5.133 1.00 13.41 H new ATOM 0 HG2 LYS A 102 33.665 -5.524 7.035 1.00 71.44 H new ATOM 0 HG3 LYS A 102 33.354 -5.612 5.313 1.00 71.44 H new ATOM 0 HD2 LYS A 102 35.818 -5.444 4.882 1.00 32.32 H new ATOM 0 HD3 LYS A 102 36.103 -5.422 6.611 1.00 32.32 H new ATOM 0 HE2 LYS A 102 36.431 -7.687 5.884 1.00 14.03 H new ATOM 0 HE3 LYS A 102 34.923 -7.654 6.776 1.00 14.03 H new ATOM 0 HZ1 LYS A 102 34.851 -8.903 4.642 1.00 41.24 H new ATOM 0 HZ2 LYS A 102 33.680 -7.679 4.762 1.00 41.24 H new ATOM 0 HZ3 LYS A 102 35.067 -7.437 3.813 1.00 41.24 H new ATOM 1612 N GLY A 103 35.281 -0.704 7.425 1.00 63.22 N ATOM 1613 CA GLY A 103 36.126 0.440 7.137 1.00 41.22 C ATOM 1614 C GLY A 103 35.647 1.226 5.933 1.00 52.24 C ATOM 1615 O GLY A 103 36.300 1.236 4.889 1.00 54.22 O ATOM 0 H GLY A 103 34.510 -0.517 8.066 1.00 63.22 H new ATOM 0 HA2 GLY A 103 36.154 1.096 8.007 1.00 41.22 H new ATOM 0 HA3 GLY A 103 37.146 0.099 6.962 1.00 41.22 H new ATOM 1619 N PHE A 104 34.502 1.886 6.076 1.00 61.21 N ATOM 1620 CA PHE A 104 33.934 2.676 4.990 1.00 1.20 C ATOM 1621 C PHE A 104 33.116 3.842 5.537 1.00 52.54 C ATOM 1622 O PHE A 104 32.662 3.816 6.681 1.00 65.20 O ATOM 1623 CB PHE A 104 33.057 1.798 4.096 1.00 34.51 C ATOM 1624 CG PHE A 104 33.838 0.835 3.249 1.00 24.52 C ATOM 1625 CD1 PHE A 104 34.204 -0.406 3.745 1.00 31.35 C ATOM 1626 CD2 PHE A 104 34.208 1.170 1.957 1.00 43.42 C ATOM 1627 CE1 PHE A 104 34.923 -1.295 2.969 1.00 61.13 C ATOM 1628 CE2 PHE A 104 34.927 0.286 1.175 1.00 20.22 C ATOM 1629 CZ PHE A 104 35.286 -0.948 1.682 1.00 10.01 C ATOM 0 H PHE A 104 33.950 1.889 6.933 1.00 61.21 H new ATOM 0 HA PHE A 104 34.756 3.078 4.398 1.00 1.20 H new ATOM 0 HB2 PHE A 104 32.361 1.238 4.721 1.00 34.51 H new ATOM 0 HB3 PHE A 104 32.459 2.438 3.447 1.00 34.51 H new ATOM 0 HD1 PHE A 104 33.924 -0.682 4.751 1.00 31.35 H new ATOM 0 HD2 PHE A 104 33.931 2.134 1.556 1.00 43.42 H new ATOM 0 HE1 PHE A 104 35.201 -2.259 3.368 1.00 61.13 H new ATOM 0 HE2 PHE A 104 35.208 0.560 0.169 1.00 20.22 H new ATOM 0 HZ PHE A 104 35.849 -1.640 1.073 1.00 10.01 H new ATOM 1639 N LYS A 105 32.931 4.866 4.710 1.00 3.42 N ATOM 1640 CA LYS A 105 32.168 6.043 5.108 1.00 53.22 C ATOM 1641 C LYS A 105 30.695 5.884 4.744 1.00 12.44 C ATOM 1642 O LYS A 105 30.360 5.475 3.633 1.00 40.34 O ATOM 1643 CB LYS A 105 32.737 7.296 4.438 1.00 10.14 C ATOM 1644 CG LYS A 105 31.969 8.564 4.768 1.00 13.21 C ATOM 1645 CD LYS A 105 32.036 8.887 6.251 1.00 12.14 C ATOM 1646 CE LYS A 105 31.155 10.076 6.603 1.00 4.52 C ATOM 1647 NZ LYS A 105 31.257 10.435 8.045 1.00 22.41 N ATOM 0 H LYS A 105 33.299 4.904 3.760 1.00 3.42 H new ATOM 0 HA LYS A 105 32.248 6.149 6.190 1.00 53.22 H new ATOM 0 HB2 LYS A 105 33.776 7.421 4.743 1.00 10.14 H new ATOM 0 HB3 LYS A 105 32.737 7.152 3.358 1.00 10.14 H new ATOM 0 HG2 LYS A 105 32.376 9.397 4.195 1.00 13.21 H new ATOM 0 HG3 LYS A 105 30.928 8.449 4.467 1.00 13.21 H new ATOM 0 HD2 LYS A 105 31.723 8.017 6.828 1.00 12.14 H new ATOM 0 HD3 LYS A 105 33.067 9.101 6.532 1.00 12.14 H new ATOM 0 HE2 LYS A 105 31.442 10.933 5.994 1.00 4.52 H new ATOM 0 HE3 LYS A 105 30.118 9.845 6.359 1.00 4.52 H new ATOM 0 HZ1 LYS A 105 30.642 11.250 8.244 1.00 22.41 H new ATOM 0 HZ2 LYS A 105 30.959 9.626 8.626 1.00 22.41 H new ATOM 0 HZ3 LYS A 105 32.242 10.681 8.273 1.00 22.41 H new ATOM 1661 N VAL A 106 29.818 6.212 5.688 1.00 2.15 N ATOM 1662 CA VAL A 106 28.381 6.108 5.466 1.00 10.34 C ATOM 1663 C VAL A 106 27.716 7.479 5.525 1.00 35.30 C ATOM 1664 O VAL A 106 27.914 8.235 6.475 1.00 52.20 O ATOM 1665 CB VAL A 106 27.718 5.183 6.504 1.00 1.12 C ATOM 1666 CG1 VAL A 106 26.221 5.083 6.252 1.00 45.21 C ATOM 1667 CG2 VAL A 106 28.364 3.806 6.480 1.00 44.25 C ATOM 0 H VAL A 106 30.078 6.552 6.614 1.00 2.15 H new ATOM 0 HA VAL A 106 28.244 5.683 4.472 1.00 10.34 H new ATOM 0 HB VAL A 106 27.867 5.612 7.495 1.00 1.12 H new ATOM 0 HG11 VAL A 106 25.770 4.425 6.995 1.00 45.21 H new ATOM 0 HG12 VAL A 106 25.773 6.074 6.325 1.00 45.21 H new ATOM 0 HG13 VAL A 106 26.046 4.678 5.255 1.00 45.21 H new ATOM 0 HG21 VAL A 106 27.883 3.166 7.220 1.00 44.25 H new ATOM 0 HG22 VAL A 106 28.248 3.367 5.489 1.00 44.25 H new ATOM 0 HG23 VAL A 106 29.425 3.898 6.714 1.00 44.25 H new ATOM 1677 N GLU A 107 26.925 7.791 4.503 1.00 71.11 N ATOM 1678 CA GLU A 107 26.230 9.071 4.439 1.00 42.33 C ATOM 1679 C GLU A 107 24.743 8.870 4.160 1.00 44.23 C ATOM 1680 O GLU A 107 24.360 8.026 3.349 1.00 41.33 O ATOM 1681 CB GLU A 107 26.848 9.958 3.356 1.00 41.33 C ATOM 1682 CG GLU A 107 26.087 11.253 3.122 1.00 63.42 C ATOM 1683 CD GLU A 107 26.069 12.148 4.346 1.00 74.33 C ATOM 1684 OE1 GLU A 107 26.879 11.912 5.266 1.00 1.40 O ATOM 1685 OE2 GLU A 107 25.243 13.084 4.383 1.00 50.05 O ATOM 0 H GLU A 107 26.750 7.175 3.709 1.00 71.11 H new ATOM 0 HA GLU A 107 26.337 9.562 5.406 1.00 42.33 H new ATOM 0 HB2 GLU A 107 27.875 10.195 3.635 1.00 41.33 H new ATOM 0 HB3 GLU A 107 26.892 9.399 2.422 1.00 41.33 H new ATOM 0 HG2 GLU A 107 26.540 11.791 2.290 1.00 63.42 H new ATOM 0 HG3 GLU A 107 25.063 11.021 2.831 1.00 63.42 H new ATOM 1692 N THR A 108 23.909 9.651 4.838 1.00 11.53 N ATOM 1693 CA THR A 108 22.465 9.559 4.666 1.00 14.10 C ATOM 1694 C THR A 108 21.885 10.878 4.169 1.00 53.31 C ATOM 1695 O THR A 108 22.210 11.946 4.689 1.00 21.41 O ATOM 1696 CB THR A 108 21.766 9.168 5.982 1.00 72.43 C ATOM 1697 OG1 THR A 108 21.836 10.251 6.915 1.00 53.41 O ATOM 1698 CG2 THR A 108 22.407 7.928 6.587 1.00 3.22 C ATOM 0 H THR A 108 24.209 10.355 5.512 1.00 11.53 H new ATOM 0 HA THR A 108 22.285 8.783 3.922 1.00 14.10 H new ATOM 0 HB THR A 108 20.722 8.947 5.761 1.00 72.43 H new ATOM 0 HG1 THR A 108 21.388 9.995 7.748 1.00 53.41 H new ATOM 0 HG21 THR A 108 21.897 7.671 7.515 1.00 3.22 H new ATOM 0 HG22 THR A 108 22.325 7.097 5.886 1.00 3.22 H new ATOM 0 HG23 THR A 108 23.459 8.126 6.794 1.00 3.22 H new ATOM 1706 N ASP A 109 21.024 10.798 3.160 1.00 22.10 N ATOM 1707 CA ASP A 109 20.397 11.986 2.594 1.00 41.45 C ATOM 1708 C ASP A 109 18.912 11.749 2.341 1.00 75.33 C ATOM 1709 O ASP A 109 18.511 11.383 1.236 1.00 32.53 O ATOM 1710 CB ASP A 109 21.092 12.384 1.290 1.00 32.41 C ATOM 1711 CG ASP A 109 22.003 13.583 1.462 1.00 70.01 C ATOM 1712 OD1 ASP A 109 23.140 13.400 1.947 1.00 54.53 O ATOM 1713 OD2 ASP A 109 21.580 14.704 1.111 1.00 51.02 O ATOM 0 H ASP A 109 20.745 9.922 2.718 1.00 22.10 H new ATOM 0 HA ASP A 109 20.499 12.798 3.314 1.00 41.45 H new ATOM 0 HB2 ASP A 109 21.673 11.540 0.919 1.00 32.41 H new ATOM 0 HB3 ASP A 109 20.339 12.609 0.534 1.00 32.41 H new ATOM 1718 N MET A 110 18.100 11.959 3.372 1.00 20.30 N ATOM 1719 CA MET A 110 16.659 11.767 3.261 1.00 14.31 C ATOM 1720 C MET A 110 16.003 12.961 2.575 1.00 52.24 C ATOM 1721 O MET A 110 14.777 13.056 2.508 1.00 74.44 O ATOM 1722 CB MET A 110 16.042 11.558 4.646 1.00 42.44 C ATOM 1723 CG MET A 110 16.177 12.766 5.559 1.00 32.22 C ATOM 1724 SD MET A 110 15.508 12.468 7.207 1.00 52.11 S ATOM 1725 CE MET A 110 13.941 13.329 7.097 1.00 71.34 C ATOM 0 H MET A 110 18.415 12.262 4.293 1.00 20.30 H new ATOM 0 HA MET A 110 16.482 10.879 2.654 1.00 14.31 H new ATOM 0 HB2 MET A 110 14.986 11.315 4.531 1.00 42.44 H new ATOM 0 HB3 MET A 110 16.517 10.699 5.121 1.00 42.44 H new ATOM 0 HG2 MET A 110 17.229 13.038 5.642 1.00 32.22 H new ATOM 0 HG3 MET A 110 15.662 13.615 5.110 1.00 32.22 H new ATOM 0 HE1 MET A 110 13.408 13.236 8.043 1.00 71.34 H new ATOM 0 HE2 MET A 110 14.119 14.383 6.883 1.00 71.34 H new ATOM 0 HE3 MET A 110 13.341 12.893 6.298 1.00 71.34 H new TER 1735 MET A 110