USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 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 7 TYR OH : rot 114:sc= -0.813 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 SER OG : rot -74:sc= 0.612 USER MOD Set 2.2: A 15 HIS :FLIP no HD1:sc= -0.0518 F(o=-0.65,f=0.56) USER MOD Set 3.1: A 8 ASN : amide:sc= -1.6 K(o=-0.71,f=-5.5!) USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0.899 USER MOD Single : A 1 MET CE :methyl -114:sc= -8.27! (180deg=-11.4!) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.312 (180deg=0.254) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 4 CYS SG : rot -152:sc= -3.53! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -96:sc= 0.824 USER MOD Single : A 11 MET CE :methyl 170:sc= -0.0311 (180deg=-0.142) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 38:sc= -0.0224 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.17 F(o=-0.76,f=-0.17) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 45 MET CE :methyl 147:sc= -1.17 (180deg=-3.76!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 54:sc= 1 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 64 THR OG1 : rot -98:sc= -3.93! USER MOD Single : A 71 ASN :FLIP amide:sc= -0.107 F(o=-1.5,f=-0.11) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc=-0.00391 (180deg=-0.162) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -159:sc= -3.61 (180deg=-4.75!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.314 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0161 K(o=-0.016,f=-1.4) USER MOD Single : A 88 MET CE :methyl -101:sc= -2.77! (180deg=-6.01!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= -0.0758 (180deg=-0.46) USER MOD Single : A 93 LYS NZ :NH3+ -107:sc= -0.167 (180deg=-0.815) USER MOD Single : A 95 THR OG1 : rot 66:sc= 1.23 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= -0.141 K(o=-0.14,f=-1.8) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 1.464 -0.385 0.103 1.00 41.22 N ATOM 2 CA MET A 1 2.086 -0.079 -1.180 1.00 62.02 C ATOM 3 C MET A 1 3.403 -0.832 -1.339 1.00 70.51 C ATOM 4 O MET A 1 3.905 -1.435 -0.389 1.00 52.52 O ATOM 5 CB MET A 1 2.328 1.426 -1.308 1.00 52.32 C ATOM 6 CG MET A 1 2.556 2.121 0.025 1.00 62.44 C ATOM 7 SD MET A 1 3.970 1.453 0.922 1.00 22.14 S ATOM 8 CE MET A 1 5.238 1.526 -0.341 1.00 21.53 C ATOM 0 H1 MET A 1 0.587 0.164 0.203 1.00 41.22 H new ATOM 0 H2 MET A 1 1.244 -1.400 0.149 1.00 41.22 H new ATOM 0 H3 MET A 1 2.117 -0.138 0.873 1.00 41.22 H new ATOM 0 HA MET A 1 1.407 -0.399 -1.970 1.00 62.02 H new ATOM 0 HB2 MET A 1 3.194 1.593 -1.948 1.00 52.32 H new ATOM 0 HB3 MET A 1 1.472 1.882 -1.805 1.00 52.32 H new ATOM 0 HG2 MET A 1 2.710 3.186 -0.146 1.00 62.44 H new ATOM 0 HG3 MET A 1 1.661 2.023 0.640 1.00 62.44 H new ATOM 0 HE1 MET A 1 5.542 0.514 -0.610 1.00 21.53 H new ATOM 0 HE2 MET A 1 4.845 2.034 -1.222 1.00 21.53 H new ATOM 0 HE3 MET A 1 6.100 2.074 0.040 1.00 21.53 H new ATOM 18 N THR A 2 3.959 -0.796 -2.546 1.00 51.23 N ATOM 19 CA THR A 2 5.216 -1.476 -2.830 1.00 22.13 C ATOM 20 C THR A 2 6.370 -0.484 -2.922 1.00 54.34 C ATOM 21 O THR A 2 6.324 0.466 -3.705 1.00 73.05 O ATOM 22 CB THR A 2 5.137 -2.278 -4.142 1.00 64.33 C ATOM 23 OG1 THR A 2 3.800 -2.745 -4.352 1.00 52.50 O ATOM 24 CG2 THR A 2 6.093 -3.461 -4.112 1.00 23.22 C ATOM 0 H THR A 2 3.558 -0.302 -3.343 1.00 51.23 H new ATOM 0 HA THR A 2 5.397 -2.163 -2.003 1.00 22.13 H new ATOM 0 HB THR A 2 5.424 -1.619 -4.962 1.00 64.33 H new ATOM 0 HG1 THR A 2 3.758 -3.252 -5.189 1.00 52.50 H new ATOM 0 HG21 THR A 2 6.019 -4.012 -5.049 1.00 23.22 H new ATOM 0 HG22 THR A 2 7.114 -3.101 -3.982 1.00 23.22 H new ATOM 0 HG23 THR A 2 5.832 -4.119 -3.283 1.00 23.22 H new ATOM 32 N LEU A 3 7.404 -0.709 -2.119 1.00 74.15 N ATOM 33 CA LEU A 3 8.571 0.166 -2.111 1.00 60.35 C ATOM 34 C LEU A 3 9.826 -0.597 -2.523 1.00 61.31 C ATOM 35 O LEU A 3 10.156 -1.630 -1.939 1.00 4.14 O ATOM 36 CB LEU A 3 8.765 0.778 -0.723 1.00 72.30 C ATOM 37 CG LEU A 3 8.934 2.297 -0.677 1.00 35.34 C ATOM 38 CD1 LEU A 3 7.917 2.975 -1.582 1.00 61.42 C ATOM 39 CD2 LEU A 3 8.801 2.805 0.752 1.00 75.34 C ATOM 0 H LEU A 3 7.458 -1.490 -1.465 1.00 74.15 H new ATOM 0 HA LEU A 3 8.400 0.965 -2.833 1.00 60.35 H new ATOM 0 HB2 LEU A 3 7.907 0.509 -0.106 1.00 72.30 H new ATOM 0 HB3 LEU A 3 9.642 0.321 -0.266 1.00 72.30 H new ATOM 0 HG LEU A 3 9.932 2.543 -1.038 1.00 35.34 H new ATOM 0 HD11 LEU A 3 8.053 4.056 -1.536 1.00 61.42 H new ATOM 0 HD12 LEU A 3 8.059 2.635 -2.608 1.00 61.42 H new ATOM 0 HD13 LEU A 3 6.910 2.721 -1.252 1.00 61.42 H new ATOM 0 HD21 LEU A 3 8.924 3.888 0.766 1.00 75.34 H new ATOM 0 HD22 LEU A 3 7.816 2.547 1.140 1.00 75.34 H new ATOM 0 HD23 LEU A 3 9.568 2.345 1.375 1.00 75.34 H new ATOM 51 N CYS A 4 10.522 -0.081 -3.530 1.00 71.51 N ATOM 52 CA CYS A 4 11.742 -0.714 -4.019 1.00 42.51 C ATOM 53 C CYS A 4 12.935 0.226 -3.879 1.00 1.42 C ATOM 54 O CYS A 4 12.772 1.442 -3.783 1.00 0.33 O ATOM 55 CB CYS A 4 11.575 -1.130 -5.481 1.00 71.11 C ATOM 56 SG CYS A 4 9.996 -1.932 -5.844 1.00 74.20 S ATOM 0 H CYS A 4 10.263 0.773 -4.023 1.00 71.51 H new ATOM 0 HA CYS A 4 11.928 -1.602 -3.415 1.00 42.51 H new ATOM 0 HB2 CYS A 4 11.676 -0.247 -6.113 1.00 71.11 H new ATOM 0 HB3 CYS A 4 12.385 -1.808 -5.749 1.00 71.11 H new ATOM 0 HG CYS A 4 10.142 -2.743 -6.849 1.00 74.20 H new ATOM 62 N ALA A 5 14.134 -0.346 -3.866 1.00 45.02 N ATOM 63 CA ALA A 5 15.355 0.441 -3.738 1.00 30.52 C ATOM 64 C ALA A 5 16.455 -0.101 -4.644 1.00 61.31 C ATOM 65 O ALA A 5 16.608 -1.313 -4.794 1.00 30.11 O ATOM 66 CB ALA A 5 15.822 0.458 -2.290 1.00 20.52 C ATOM 0 H ALA A 5 14.286 -1.352 -3.943 1.00 45.02 H new ATOM 0 HA ALA A 5 15.134 1.462 -4.049 1.00 30.52 H new ATOM 0 HB1 ALA A 5 16.734 1.049 -2.209 1.00 20.52 H new ATOM 0 HB2 ALA A 5 15.047 0.899 -1.663 1.00 20.52 H new ATOM 0 HB3 ALA A 5 16.020 -0.562 -1.959 1.00 20.52 H new ATOM 72 N MET A 6 17.218 0.804 -5.247 1.00 3.40 N ATOM 73 CA MET A 6 18.305 0.416 -6.139 1.00 10.14 C ATOM 74 C MET A 6 19.640 0.957 -5.637 1.00 11.24 C ATOM 75 O MET A 6 19.777 2.152 -5.373 1.00 53.25 O ATOM 76 CB MET A 6 18.036 0.924 -7.556 1.00 42.14 C ATOM 77 CG MET A 6 17.999 2.440 -7.662 1.00 14.12 C ATOM 78 SD MET A 6 17.088 3.013 -9.108 1.00 55.44 S ATOM 79 CE MET A 6 18.295 2.735 -10.401 1.00 62.24 C ATOM 0 H MET A 6 17.104 1.811 -5.135 1.00 3.40 H new ATOM 0 HA MET A 6 18.357 -0.673 -6.155 1.00 10.14 H new ATOM 0 HB2 MET A 6 18.808 0.540 -8.223 1.00 42.14 H new ATOM 0 HB3 MET A 6 17.085 0.520 -7.903 1.00 42.14 H new ATOM 0 HG2 MET A 6 17.542 2.852 -6.763 1.00 14.12 H new ATOM 0 HG3 MET A 6 19.019 2.822 -7.705 1.00 14.12 H new ATOM 0 HE1 MET A 6 17.878 3.042 -11.360 1.00 62.24 H new ATOM 0 HE2 MET A 6 19.192 3.318 -10.192 1.00 62.24 H new ATOM 0 HE3 MET A 6 18.551 1.676 -10.439 1.00 62.24 H new ATOM 89 N TYR A 7 20.621 0.071 -5.506 1.00 33.02 N ATOM 90 CA TYR A 7 21.944 0.460 -5.033 1.00 31.34 C ATOM 91 C TYR A 7 23.013 0.122 -6.067 1.00 43.41 C ATOM 92 O TYR A 7 22.912 -0.876 -6.778 1.00 33.51 O ATOM 93 CB TYR A 7 22.261 -0.239 -3.709 1.00 14.50 C ATOM 94 CG TYR A 7 22.621 -1.699 -3.866 1.00 12.44 C ATOM 95 CD1 TYR A 7 21.669 -2.631 -4.261 1.00 5.21 C ATOM 96 CD2 TYR A 7 23.913 -2.146 -3.619 1.00 42.32 C ATOM 97 CE1 TYR A 7 21.994 -3.966 -4.404 1.00 41.24 C ATOM 98 CE2 TYR A 7 24.247 -3.479 -3.762 1.00 2.34 C ATOM 99 CZ TYR A 7 23.284 -4.385 -4.154 1.00 1.21 C ATOM 100 OH TYR A 7 23.612 -5.714 -4.297 1.00 52.42 O ATOM 0 H TYR A 7 20.525 -0.921 -5.721 1.00 33.02 H new ATOM 0 HA TYR A 7 21.943 1.539 -4.876 1.00 31.34 H new ATOM 0 HB2 TYR A 7 23.087 0.280 -3.223 1.00 14.50 H new ATOM 0 HB3 TYR A 7 21.398 -0.155 -3.048 1.00 14.50 H new ATOM 0 HD1 TYR A 7 20.658 -2.306 -4.459 1.00 5.21 H new ATOM 0 HD2 TYR A 7 24.669 -1.440 -3.310 1.00 42.32 H new ATOM 0 HE1 TYR A 7 21.242 -4.678 -4.710 1.00 41.24 H new ATOM 0 HE2 TYR A 7 25.257 -3.810 -3.568 1.00 2.34 H new ATOM 0 HH TYR A 7 24.244 -5.817 -5.039 1.00 52.42 H new ATOM 110 N ASN A 8 24.039 0.964 -6.144 1.00 61.00 N ATOM 111 CA ASN A 8 25.129 0.756 -7.091 1.00 13.30 C ATOM 112 C ASN A 8 26.447 0.519 -6.360 1.00 73.32 C ATOM 113 O ASN A 8 26.804 1.263 -5.446 1.00 61.43 O ATOM 114 CB ASN A 8 25.259 1.963 -8.022 1.00 44.05 C ATOM 115 CG ASN A 8 26.486 1.878 -8.910 1.00 2.00 C ATOM 116 OD1 ASN A 8 27.617 1.985 -8.436 1.00 44.22 O ATOM 117 ND2 ASN A 8 26.267 1.685 -10.205 1.00 72.24 N ATOM 0 H ASN A 8 24.138 1.796 -5.562 1.00 61.00 H new ATOM 0 HA ASN A 8 24.899 -0.129 -7.684 1.00 13.30 H new ATOM 0 HB2 ASN A 8 24.367 2.036 -8.645 1.00 44.05 H new ATOM 0 HB3 ASN A 8 25.307 2.875 -7.426 1.00 44.05 H new ATOM 0 HD21 ASN A 8 27.054 1.620 -10.851 1.00 72.24 H new ATOM 0 HD22 ASN A 8 25.312 1.602 -10.554 1.00 72.24 H new ATOM 124 N ILE A 9 27.165 -0.522 -6.770 1.00 14.34 N ATOM 125 CA ILE A 9 28.443 -0.856 -6.155 1.00 44.02 C ATOM 126 C ILE A 9 29.591 -0.681 -7.144 1.00 71.12 C ATOM 127 O ILE A 9 29.538 -1.182 -8.267 1.00 73.13 O ATOM 128 CB ILE A 9 28.453 -2.302 -5.626 1.00 33.22 C ATOM 129 CG1 ILE A 9 27.733 -3.232 -6.605 1.00 43.45 C ATOM 130 CG2 ILE A 9 27.803 -2.367 -4.251 1.00 65.45 C ATOM 131 CD1 ILE A 9 27.633 -4.661 -6.120 1.00 15.45 C ATOM 0 H ILE A 9 26.883 -1.148 -7.525 1.00 14.34 H new ATOM 0 HA ILE A 9 28.579 -0.171 -5.318 1.00 44.02 H new ATOM 0 HB ILE A 9 29.488 -2.632 -5.534 1.00 33.22 H new ATOM 0 HG12 ILE A 9 26.729 -2.848 -6.787 1.00 43.45 H new ATOM 0 HG13 ILE A 9 28.258 -3.217 -7.560 1.00 43.45 H new ATOM 0 HG21 ILE A 9 27.817 -3.395 -3.890 1.00 65.45 H new ATOM 0 HG22 ILE A 9 28.354 -1.731 -3.558 1.00 65.45 H new ATOM 0 HG23 ILE A 9 26.772 -2.021 -4.319 1.00 65.45 H new ATOM 0 HD11 ILE A 9 27.111 -5.262 -6.864 1.00 15.45 H new ATOM 0 HD12 ILE A 9 28.634 -5.064 -5.965 1.00 15.45 H new ATOM 0 HD13 ILE A 9 27.082 -4.688 -5.180 1.00 15.45 H new ATOM 143 N SER A 10 30.629 0.032 -6.718 1.00 73.32 N ATOM 144 CA SER A 10 31.789 0.275 -7.567 1.00 23.41 C ATOM 145 C SER A 10 33.020 -0.446 -7.024 1.00 13.21 C ATOM 146 O SER A 10 33.425 -0.230 -5.882 1.00 61.12 O ATOM 147 CB SER A 10 32.067 1.776 -7.670 1.00 22.52 C ATOM 148 OG SER A 10 32.806 2.078 -8.841 1.00 13.33 O ATOM 0 H SER A 10 30.690 0.451 -5.790 1.00 73.32 H new ATOM 0 HA SER A 10 31.569 -0.115 -8.561 1.00 23.41 H new ATOM 0 HB2 SER A 10 31.125 2.324 -7.679 1.00 22.52 H new ATOM 0 HB3 SER A 10 32.620 2.108 -6.791 1.00 22.52 H new ATOM 0 HG SER A 10 33.760 2.123 -8.623 1.00 13.33 H new ATOM 154 N MET A 11 33.609 -1.303 -7.851 1.00 51.24 N ATOM 155 CA MET A 11 34.794 -2.055 -7.455 1.00 51.24 C ATOM 156 C MET A 11 36.062 -1.249 -7.719 1.00 62.41 C ATOM 157 O MET A 11 37.165 -1.686 -7.392 1.00 62.32 O ATOM 158 CB MET A 11 34.855 -3.385 -8.208 1.00 70.31 C ATOM 159 CG MET A 11 34.743 -3.236 -9.717 1.00 14.33 C ATOM 160 SD MET A 11 36.349 -3.087 -10.521 1.00 42.55 S ATOM 161 CE MET A 11 35.861 -2.527 -12.151 1.00 53.32 C ATOM 0 H MET A 11 33.285 -1.494 -8.799 1.00 51.24 H new ATOM 0 HA MET A 11 34.727 -2.254 -6.385 1.00 51.24 H new ATOM 0 HB2 MET A 11 35.794 -3.885 -7.969 1.00 70.31 H new ATOM 0 HB3 MET A 11 34.051 -4.030 -7.854 1.00 70.31 H new ATOM 0 HG2 MET A 11 34.215 -4.098 -10.125 1.00 14.33 H new ATOM 0 HG3 MET A 11 34.142 -2.356 -9.948 1.00 14.33 H new ATOM 0 HE1 MET A 11 36.745 -2.220 -12.710 1.00 53.32 H new ATOM 0 HE2 MET A 11 35.361 -3.338 -12.680 1.00 53.32 H new ATOM 0 HE3 MET A 11 35.179 -1.682 -12.056 1.00 53.32 H new ATOM 171 N ALA A 12 35.897 -0.072 -8.312 1.00 43.34 N ATOM 172 CA ALA A 12 37.029 0.795 -8.618 1.00 71.21 C ATOM 173 C ALA A 12 36.573 2.059 -9.339 1.00 64.35 C ATOM 174 O ALA A 12 35.394 2.409 -9.313 1.00 45.43 O ATOM 175 CB ALA A 12 38.055 0.047 -9.457 1.00 31.14 C ATOM 0 H ALA A 12 34.991 0.304 -8.590 1.00 43.34 H new ATOM 0 HA ALA A 12 37.492 1.092 -7.677 1.00 71.21 H new ATOM 0 HB1 ALA A 12 38.894 0.706 -9.678 1.00 31.14 H new ATOM 0 HB2 ALA A 12 38.412 -0.823 -8.905 1.00 31.14 H new ATOM 0 HB3 ALA A 12 37.594 -0.279 -10.390 1.00 31.14 H new ATOM 181 N GLY A 13 37.517 2.740 -9.983 1.00 14.10 N ATOM 182 CA GLY A 13 37.192 3.958 -10.702 1.00 11.33 C ATOM 183 C GLY A 13 36.655 3.685 -12.093 1.00 1.33 C ATOM 184 O GLY A 13 36.601 4.584 -12.932 1.00 11.20 O ATOM 0 H GLY A 13 38.500 2.470 -10.019 1.00 14.10 H new ATOM 0 HA2 GLY A 13 36.453 4.524 -10.135 1.00 11.33 H new ATOM 0 HA3 GLY A 13 38.083 4.581 -10.776 1.00 11.33 H new ATOM 188 N SER A 14 36.259 2.441 -12.339 1.00 34.34 N ATOM 189 CA SER A 14 35.729 2.050 -13.640 1.00 15.33 C ATOM 190 C SER A 14 34.216 1.859 -13.575 1.00 42.31 C ATOM 191 O SER A 14 33.648 1.674 -12.499 1.00 14.14 O ATOM 192 CB SER A 14 36.397 0.761 -14.120 1.00 72.33 C ATOM 193 OG SER A 14 36.156 0.545 -15.500 1.00 1.10 O ATOM 0 H SER A 14 36.295 1.686 -11.654 1.00 34.34 H new ATOM 0 HA SER A 14 35.947 2.849 -14.349 1.00 15.33 H new ATOM 0 HB2 SER A 14 37.471 0.815 -13.939 1.00 72.33 H new ATOM 0 HB3 SER A 14 36.019 -0.084 -13.545 1.00 72.33 H new ATOM 0 HG SER A 14 35.231 0.246 -15.628 1.00 1.10 H new ATOM 199 N HIS A 15 33.570 1.906 -14.736 1.00 20.31 N ATOM 200 CA HIS A 15 32.123 1.737 -14.813 1.00 2.33 C ATOM 201 C HIS A 15 31.627 0.799 -13.717 1.00 74.43 C ATOM 202 O HIS A 15 31.838 -0.414 -13.762 1.00 55.41 O ATOM 203 CB HIS A 15 31.724 1.195 -16.185 1.00 71.32 C ATOM 204 CG HIS A 15 32.488 -0.028 -16.591 1.00 50.24 C ATOM 205 ND1 HIS A 15 33.741 -0.165 -17.086 1.00 24.14 N flip ATOM 206 CD2 HIS A 15 31.967 -1.302 -16.511 1.00 35.43 C flip ATOM 207 CE1 HIS A 15 33.952 -1.507 -17.291 1.00 2.21 C flip ATOM 208 NE2 HIS A 15 32.867 -2.171 -16.936 1.00 42.52 N flip ATOM 0 H HIS A 15 34.025 2.060 -15.636 1.00 20.31 H new ATOM 0 HA HIS A 15 31.659 2.713 -14.668 1.00 2.33 H new ATOM 0 HB2 HIS A 15 30.659 0.963 -16.179 1.00 71.32 H new ATOM 0 HB3 HIS A 15 31.876 1.974 -16.933 1.00 71.32 H new ATOM 0 HD2 HIS A 15 30.978 -1.551 -16.156 1.00 35.43 H new ATOM 0 HE1 HIS A 15 34.858 -1.948 -17.680 1.00 2.21 H new ATOM 0 HE2 HIS A 15 32.745 -3.183 -16.982 1.00 42.52 H new ATOM 216 N PRO A 16 30.952 1.370 -12.709 1.00 34.23 N ATOM 217 CA PRO A 16 30.411 0.602 -11.583 1.00 5.23 C ATOM 218 C PRO A 16 29.241 -0.284 -11.994 1.00 31.32 C ATOM 219 O PRO A 16 28.969 -0.460 -13.182 1.00 34.31 O ATOM 220 CB PRO A 16 29.945 1.685 -10.606 1.00 41.15 C ATOM 221 CG PRO A 16 29.672 2.874 -11.462 1.00 34.22 C ATOM 222 CD PRO A 16 30.663 2.809 -12.590 1.00 62.13 C ATOM 0 HA PRO A 16 31.150 -0.081 -11.163 1.00 5.23 H new ATOM 0 HB2 PRO A 16 29.052 1.373 -10.065 1.00 41.15 H new ATOM 0 HB3 PRO A 16 30.710 1.901 -9.860 1.00 41.15 H new ATOM 0 HG2 PRO A 16 28.650 2.856 -11.839 1.00 34.22 H new ATOM 0 HG3 PRO A 16 29.787 3.798 -10.895 1.00 34.22 H new ATOM 0 HD2 PRO A 16 30.248 3.213 -13.513 1.00 62.13 H new ATOM 0 HD3 PRO A 16 31.563 3.382 -12.368 1.00 62.13 H new ATOM 230 N THR A 17 28.550 -0.841 -11.004 1.00 31.21 N ATOM 231 CA THR A 17 27.409 -1.710 -11.263 1.00 32.12 C ATOM 232 C THR A 17 26.185 -1.260 -10.473 1.00 71.32 C ATOM 233 O THR A 17 26.253 -1.065 -9.259 1.00 42.42 O ATOM 234 CB THR A 17 27.726 -3.175 -10.906 1.00 52.25 C ATOM 235 OG1 THR A 17 29.083 -3.479 -11.245 1.00 44.43 O ATOM 236 CG2 THR A 17 26.790 -4.125 -11.639 1.00 42.41 C ATOM 0 H THR A 17 28.761 -0.706 -10.015 1.00 31.21 H new ATOM 0 HA THR A 17 27.195 -1.642 -12.330 1.00 32.12 H new ATOM 0 HB THR A 17 27.582 -3.304 -9.833 1.00 52.25 H new ATOM 0 HG1 THR A 17 29.277 -4.411 -11.013 1.00 44.43 H new ATOM 0 HG21 THR A 17 27.033 -5.153 -11.371 1.00 42.41 H new ATOM 0 HG22 THR A 17 25.759 -3.910 -11.357 1.00 42.41 H new ATOM 0 HG23 THR A 17 26.907 -3.993 -12.715 1.00 42.41 H new ATOM 244 N THR A 18 25.064 -1.098 -11.169 1.00 71.23 N ATOM 245 CA THR A 18 23.824 -0.671 -10.533 1.00 42.01 C ATOM 246 C THR A 18 22.842 -1.830 -10.410 1.00 12.04 C ATOM 247 O THR A 18 22.745 -2.671 -11.303 1.00 72.44 O ATOM 248 CB THR A 18 23.155 0.473 -11.318 1.00 61.13 C ATOM 249 OG1 THR A 18 24.154 1.295 -11.933 1.00 74.43 O ATOM 250 CG2 THR A 18 22.286 1.322 -10.403 1.00 20.33 C ATOM 0 H THR A 18 24.990 -1.256 -12.174 1.00 71.23 H new ATOM 0 HA THR A 18 24.086 -0.313 -9.537 1.00 42.01 H new ATOM 0 HB THR A 18 22.522 0.033 -12.088 1.00 61.13 H new ATOM 0 HG1 THR A 18 23.721 2.019 -12.431 1.00 74.43 H new ATOM 0 HG21 THR A 18 21.824 2.123 -10.980 1.00 20.33 H new ATOM 0 HG22 THR A 18 21.509 0.700 -9.959 1.00 20.33 H new ATOM 0 HG23 THR A 18 22.901 1.752 -9.613 1.00 20.33 H new ATOM 258 N ILE A 19 22.115 -1.867 -9.298 1.00 30.41 N ATOM 259 CA ILE A 19 21.139 -2.923 -9.059 1.00 75.05 C ATOM 260 C ILE A 19 19.856 -2.360 -8.457 1.00 51.51 C ATOM 261 O ILE A 19 19.897 -1.477 -7.599 1.00 55.22 O ATOM 262 CB ILE A 19 21.700 -4.008 -8.121 1.00 52.41 C ATOM 263 CG1 ILE A 19 22.336 -5.137 -8.934 1.00 50.11 C ATOM 264 CG2 ILE A 19 20.600 -4.550 -7.221 1.00 73.31 C ATOM 265 CD1 ILE A 19 22.524 -6.416 -8.148 1.00 54.33 C ATOM 0 H ILE A 19 22.184 -1.178 -8.549 1.00 30.41 H new ATOM 0 HA ILE A 19 20.917 -3.372 -10.027 1.00 75.05 H new ATOM 0 HB ILE A 19 22.470 -3.561 -7.492 1.00 52.41 H new ATOM 0 HG12 ILE A 19 21.713 -5.343 -9.804 1.00 50.11 H new ATOM 0 HG13 ILE A 19 23.304 -4.804 -9.307 1.00 50.11 H new ATOM 0 HG21 ILE A 19 21.012 -5.316 -6.564 1.00 73.31 H new ATOM 0 HG22 ILE A 19 20.189 -3.739 -6.620 1.00 73.31 H new ATOM 0 HG23 ILE A 19 19.810 -4.984 -7.833 1.00 73.31 H new ATOM 0 HD11 ILE A 19 22.980 -7.172 -8.787 1.00 54.33 H new ATOM 0 HD12 ILE A 19 23.172 -6.225 -7.293 1.00 54.33 H new ATOM 0 HD13 ILE A 19 21.556 -6.773 -7.797 1.00 54.33 H new ATOM 277 N CYS A 20 18.719 -2.876 -8.910 1.00 64.44 N ATOM 278 CA CYS A 20 17.423 -2.426 -8.415 1.00 44.34 C ATOM 279 C CYS A 20 16.581 -3.606 -7.945 1.00 35.52 C ATOM 280 O CYS A 20 16.223 -4.482 -8.734 1.00 4.43 O ATOM 281 CB CYS A 20 16.678 -1.654 -9.505 1.00 43.23 C ATOM 282 SG CYS A 20 16.603 -2.510 -11.096 1.00 43.11 S ATOM 0 H CYS A 20 18.668 -3.607 -9.620 1.00 64.44 H new ATOM 0 HA CYS A 20 17.596 -1.765 -7.565 1.00 44.34 H new ATOM 0 HB2 CYS A 20 15.662 -1.454 -9.164 1.00 43.23 H new ATOM 0 HB3 CYS A 20 17.163 -0.688 -9.647 1.00 43.23 H new ATOM 0 HG CYS A 20 16.448 -3.785 -10.896 1.00 43.11 H new ATOM 288 N VAL A 21 16.267 -3.626 -6.653 1.00 51.42 N ATOM 289 CA VAL A 21 15.466 -4.699 -6.077 1.00 24.24 C ATOM 290 C VAL A 21 14.491 -4.160 -5.037 1.00 11.23 C ATOM 291 O VAL A 21 14.765 -3.161 -4.372 1.00 1.33 O ATOM 292 CB VAL A 21 16.356 -5.773 -5.422 1.00 12.11 C ATOM 293 CG1 VAL A 21 17.293 -6.389 -6.449 1.00 62.12 C ATOM 294 CG2 VAL A 21 17.140 -5.179 -4.261 1.00 74.51 C ATOM 0 H VAL A 21 16.556 -2.911 -5.986 1.00 51.42 H new ATOM 0 HA VAL A 21 14.906 -5.151 -6.896 1.00 24.24 H new ATOM 0 HB VAL A 21 15.715 -6.563 -5.031 1.00 12.11 H new ATOM 0 HG11 VAL A 21 17.914 -7.145 -5.968 1.00 62.12 H new ATOM 0 HG12 VAL A 21 16.708 -6.852 -7.244 1.00 62.12 H new ATOM 0 HG13 VAL A 21 17.930 -5.612 -6.872 1.00 62.12 H new ATOM 0 HG21 VAL A 21 17.763 -5.951 -3.810 1.00 74.51 H new ATOM 0 HG22 VAL A 21 17.772 -4.369 -4.625 1.00 74.51 H new ATOM 0 HG23 VAL A 21 16.447 -4.790 -3.515 1.00 74.51 H new ATOM 304 N VAL A 22 13.350 -4.828 -4.901 1.00 31.23 N ATOM 305 CA VAL A 22 12.333 -4.417 -3.940 1.00 70.31 C ATOM 306 C VAL A 22 12.849 -4.533 -2.510 1.00 71.32 C ATOM 307 O VAL A 22 13.758 -5.313 -2.229 1.00 62.42 O ATOM 308 CB VAL A 22 11.053 -5.262 -4.082 1.00 53.34 C ATOM 309 CG1 VAL A 22 10.567 -5.257 -5.524 1.00 0.32 C ATOM 310 CG2 VAL A 22 11.296 -6.683 -3.598 1.00 32.01 C ATOM 0 H VAL A 22 13.107 -5.656 -5.444 1.00 31.23 H new ATOM 0 HA VAL A 22 12.097 -3.375 -4.155 1.00 70.31 H new ATOM 0 HB VAL A 22 10.275 -4.819 -3.460 1.00 53.34 H new ATOM 0 HG11 VAL A 22 9.662 -5.859 -5.605 1.00 0.32 H new ATOM 0 HG12 VAL A 22 10.351 -4.234 -5.832 1.00 0.32 H new ATOM 0 HG13 VAL A 22 11.340 -5.675 -6.170 1.00 0.32 H new ATOM 0 HG21 VAL A 22 10.381 -7.266 -3.706 1.00 32.01 H new ATOM 0 HG22 VAL A 22 12.088 -7.139 -4.191 1.00 32.01 H new ATOM 0 HG23 VAL A 22 11.593 -6.664 -2.549 1.00 32.01 H new ATOM 320 N MET A 23 12.261 -3.752 -1.610 1.00 4.12 N ATOM 321 CA MET A 23 12.661 -3.768 -0.207 1.00 71.54 C ATOM 322 C MET A 23 12.631 -5.188 0.350 1.00 75.12 C ATOM 323 O MET A 23 13.467 -5.560 1.174 1.00 54.34 O ATOM 324 CB MET A 23 11.743 -2.865 0.617 1.00 14.43 C ATOM 325 CG MET A 23 12.024 -2.912 2.110 1.00 21.23 C ATOM 326 SD MET A 23 10.588 -3.427 3.072 1.00 63.22 S ATOM 327 CE MET A 23 11.219 -4.910 3.855 1.00 40.53 C ATOM 0 H MET A 23 11.507 -3.101 -1.826 1.00 4.12 H new ATOM 0 HA MET A 23 13.682 -3.392 -0.141 1.00 71.54 H new ATOM 0 HB2 MET A 23 11.849 -1.838 0.268 1.00 14.43 H new ATOM 0 HB3 MET A 23 10.707 -3.156 0.441 1.00 14.43 H new ATOM 0 HG2 MET A 23 12.848 -3.599 2.299 1.00 21.23 H new ATOM 0 HG3 MET A 23 12.347 -1.927 2.446 1.00 21.23 H new ATOM 0 HE1 MET A 23 10.444 -5.346 4.486 1.00 40.53 H new ATOM 0 HE2 MET A 23 11.512 -5.629 3.090 1.00 40.53 H new ATOM 0 HE3 MET A 23 12.085 -4.658 4.466 1.00 40.53 H new ATOM 337 N ASP A 24 11.662 -5.976 -0.104 1.00 64.42 N ATOM 338 CA ASP A 24 11.524 -7.356 0.349 1.00 51.33 C ATOM 339 C ASP A 24 12.802 -8.145 0.084 1.00 21.34 C ATOM 340 O ASP A 24 13.206 -8.980 0.894 1.00 62.10 O ATOM 341 CB ASP A 24 10.341 -8.028 -0.350 1.00 12.23 C ATOM 342 CG ASP A 24 9.100 -7.156 -0.355 1.00 65.14 C ATOM 343 OD1 ASP A 24 8.517 -6.947 0.729 1.00 51.31 O ATOM 344 OD2 ASP A 24 8.714 -6.682 -1.444 1.00 72.41 O ATOM 0 H ASP A 24 10.961 -5.683 -0.785 1.00 64.42 H new ATOM 0 HA ASP A 24 11.342 -7.344 1.424 1.00 51.33 H new ATOM 0 HB2 ASP A 24 10.618 -8.267 -1.377 1.00 12.23 H new ATOM 0 HB3 ASP A 24 10.117 -8.971 0.148 1.00 12.23 H new ATOM 349 N ARG A 25 13.433 -7.876 -1.054 1.00 20.41 N ATOM 350 CA ARG A 25 14.664 -8.563 -1.426 1.00 31.40 C ATOM 351 C ARG A 25 15.872 -7.649 -1.247 1.00 43.14 C ATOM 352 O ARG A 25 17.018 -8.093 -1.331 1.00 53.45 O ATOM 353 CB ARG A 25 14.586 -9.046 -2.876 1.00 12.24 C ATOM 354 CG ARG A 25 14.174 -10.503 -3.011 1.00 44.33 C ATOM 355 CD ARG A 25 12.725 -10.713 -2.602 1.00 51.22 C ATOM 356 NE ARG A 25 12.496 -12.051 -2.065 1.00 63.51 N ATOM 357 CZ ARG A 25 12.513 -13.153 -2.807 1.00 35.54 C ATOM 358 NH1 ARG A 25 12.746 -13.076 -4.109 1.00 72.45 N ATOM 359 NH2 ARG A 25 12.296 -14.336 -2.245 1.00 14.11 N ATOM 0 H ARG A 25 13.112 -7.187 -1.734 1.00 20.41 H new ATOM 0 HA ARG A 25 14.782 -9.425 -0.769 1.00 31.40 H new ATOM 0 HB2 ARG A 25 13.875 -8.424 -3.419 1.00 12.24 H new ATOM 0 HB3 ARG A 25 15.558 -8.907 -3.349 1.00 12.24 H new ATOM 0 HG2 ARG A 25 14.313 -10.827 -4.042 1.00 44.33 H new ATOM 0 HG3 ARG A 25 14.821 -11.124 -2.392 1.00 44.33 H new ATOM 0 HD2 ARG A 25 12.448 -9.970 -1.854 1.00 51.22 H new ATOM 0 HD3 ARG A 25 12.078 -10.553 -3.465 1.00 51.22 H new ATOM 0 HE ARG A 25 12.313 -12.145 -1.066 1.00 63.51 H new ATOM 0 HH11 ARG A 25 12.913 -12.169 -4.544 1.00 72.45 H new ATOM 0 HH12 ARG A 25 12.758 -13.924 -4.676 1.00 72.45 H new ATOM 0 HH21 ARG A 25 12.116 -14.399 -1.243 1.00 14.11 H new ATOM 0 HH22 ARG A 25 12.309 -15.182 -2.815 1.00 14.11 H new ATOM 373 N PHE A 26 15.609 -6.370 -1.001 1.00 54.12 N ATOM 374 CA PHE A 26 16.674 -5.392 -0.812 1.00 70.34 C ATOM 375 C PHE A 26 17.483 -5.705 0.443 1.00 13.12 C ATOM 376 O PHE A 26 18.714 -5.658 0.430 1.00 35.45 O ATOM 377 CB PHE A 26 16.089 -3.981 -0.718 1.00 65.30 C ATOM 378 CG PHE A 26 17.126 -2.897 -0.788 1.00 64.04 C ATOM 379 CD1 PHE A 26 18.168 -2.974 -1.700 1.00 15.15 C ATOM 380 CD2 PHE A 26 17.060 -1.801 0.056 1.00 11.41 C ATOM 381 CE1 PHE A 26 19.123 -1.978 -1.766 1.00 4.13 C ATOM 382 CE2 PHE A 26 18.013 -0.801 -0.006 1.00 33.22 C ATOM 383 CZ PHE A 26 19.045 -0.890 -0.919 1.00 2.43 C ATOM 0 H PHE A 26 14.667 -5.986 -0.928 1.00 54.12 H new ATOM 0 HA PHE A 26 17.339 -5.445 -1.674 1.00 70.34 H new ATOM 0 HB2 PHE A 26 15.371 -3.839 -1.526 1.00 65.30 H new ATOM 0 HB3 PHE A 26 15.538 -3.886 0.218 1.00 65.30 H new ATOM 0 HD1 PHE A 26 18.234 -3.822 -2.366 1.00 15.15 H new ATOM 0 HD2 PHE A 26 16.254 -1.726 0.771 1.00 11.41 H new ATOM 0 HE1 PHE A 26 19.930 -2.050 -2.480 1.00 4.13 H new ATOM 0 HE2 PHE A 26 17.950 0.048 0.658 1.00 33.22 H new ATOM 0 HZ PHE A 26 19.790 -0.110 -0.971 1.00 2.43 H new ATOM 393 N LEU A 27 16.783 -6.023 1.526 1.00 14.15 N ATOM 394 CA LEU A 27 17.434 -6.343 2.792 1.00 62.11 C ATOM 395 C LEU A 27 18.374 -7.534 2.634 1.00 1.03 C ATOM 396 O LEU A 27 19.531 -7.482 3.049 1.00 23.15 O ATOM 397 CB LEU A 27 16.387 -6.644 3.866 1.00 50.25 C ATOM 398 CG LEU A 27 16.907 -6.751 5.299 1.00 3.44 C ATOM 399 CD1 LEU A 27 15.810 -6.401 6.293 1.00 62.02 C ATOM 400 CD2 LEU A 27 17.447 -8.148 5.568 1.00 4.42 C ATOM 0 H LEU A 27 15.764 -6.066 1.553 1.00 14.15 H new ATOM 0 HA LEU A 27 18.021 -5.478 3.099 1.00 62.11 H new ATOM 0 HB2 LEU A 27 15.628 -5.863 3.834 1.00 50.25 H new ATOM 0 HB3 LEU A 27 15.892 -7.581 3.610 1.00 50.25 H new ATOM 0 HG LEU A 27 17.722 -6.038 5.423 1.00 3.44 H new ATOM 0 HD11 LEU A 27 16.199 -6.483 7.308 1.00 62.02 H new ATOM 0 HD12 LEU A 27 15.470 -5.381 6.116 1.00 62.02 H new ATOM 0 HD13 LEU A 27 14.973 -7.089 6.169 1.00 62.02 H new ATOM 0 HD21 LEU A 27 17.813 -8.205 6.593 1.00 4.42 H new ATOM 0 HD22 LEU A 27 16.651 -8.879 5.425 1.00 4.42 H new ATOM 0 HD23 LEU A 27 18.264 -8.361 4.879 1.00 4.42 H new ATOM 412 N GLU A 28 17.868 -8.605 2.030 1.00 44.30 N ATOM 413 CA GLU A 28 18.664 -9.808 1.817 1.00 43.34 C ATOM 414 C GLU A 28 19.742 -9.567 0.763 1.00 31.52 C ATOM 415 O GLU A 28 20.890 -9.979 0.930 1.00 42.55 O ATOM 416 CB GLU A 28 17.767 -10.970 1.388 1.00 73.42 C ATOM 417 CG GLU A 28 16.828 -10.625 0.244 1.00 61.01 C ATOM 418 CD GLU A 28 16.037 -11.823 -0.244 1.00 20.33 C ATOM 419 OE1 GLU A 28 16.539 -12.543 -1.132 1.00 63.22 O ATOM 420 OE2 GLU A 28 14.917 -12.041 0.262 1.00 35.04 O ATOM 0 H GLU A 28 16.912 -8.664 1.680 1.00 44.30 H new ATOM 0 HA GLU A 28 19.151 -10.063 2.758 1.00 43.34 H new ATOM 0 HB2 GLU A 28 18.394 -11.811 1.091 1.00 73.42 H new ATOM 0 HB3 GLU A 28 17.178 -11.298 2.244 1.00 73.42 H new ATOM 0 HG2 GLU A 28 16.138 -9.846 0.568 1.00 61.01 H new ATOM 0 HG3 GLU A 28 17.406 -10.214 -0.584 1.00 61.01 H new ATOM 427 N SER A 29 19.362 -8.899 -0.321 1.00 63.44 N ATOM 428 CA SER A 29 20.294 -8.608 -1.405 1.00 1.34 C ATOM 429 C SER A 29 21.511 -7.849 -0.885 1.00 24.35 C ATOM 430 O SER A 29 22.651 -8.271 -1.083 1.00 1.24 O ATOM 431 CB SER A 29 19.600 -7.793 -2.497 1.00 53.43 C ATOM 432 OG SER A 29 20.543 -7.240 -3.399 1.00 3.25 O ATOM 0 H SER A 29 18.416 -8.549 -0.473 1.00 63.44 H new ATOM 0 HA SER A 29 20.630 -9.555 -1.826 1.00 1.34 H new ATOM 0 HB2 SER A 29 18.902 -8.429 -3.041 1.00 53.43 H new ATOM 0 HB3 SER A 29 19.015 -6.993 -2.042 1.00 53.43 H new ATOM 0 HG SER A 29 20.074 -6.725 -4.088 1.00 3.25 H new ATOM 438 N PHE A 30 21.261 -6.727 -0.218 1.00 22.20 N ATOM 439 CA PHE A 30 22.336 -5.908 0.330 1.00 13.05 C ATOM 440 C PHE A 30 23.164 -6.700 1.338 1.00 71.44 C ATOM 441 O PHE A 30 24.394 -6.701 1.283 1.00 53.32 O ATOM 442 CB PHE A 30 21.762 -4.656 0.998 1.00 73.34 C ATOM 443 CG PHE A 30 22.378 -3.378 0.505 1.00 61.30 C ATOM 444 CD1 PHE A 30 23.716 -3.331 0.150 1.00 65.24 C ATOM 445 CD2 PHE A 30 21.619 -2.224 0.397 1.00 60.22 C ATOM 446 CE1 PHE A 30 24.286 -2.156 -0.303 1.00 62.22 C ATOM 447 CE2 PHE A 30 22.183 -1.046 -0.056 1.00 22.31 C ATOM 448 CZ PHE A 30 23.518 -1.013 -0.407 1.00 44.33 C ATOM 0 H PHE A 30 20.324 -6.364 -0.044 1.00 22.20 H new ATOM 0 HA PHE A 30 22.986 -5.608 -0.492 1.00 13.05 H new ATOM 0 HB2 PHE A 30 20.686 -4.622 0.825 1.00 73.34 H new ATOM 0 HB3 PHE A 30 21.909 -4.729 2.076 1.00 73.34 H new ATOM 0 HD1 PHE A 30 24.321 -4.222 0.228 1.00 65.24 H new ATOM 0 HD2 PHE A 30 20.574 -2.245 0.670 1.00 60.22 H new ATOM 0 HE1 PHE A 30 25.331 -2.132 -0.575 1.00 62.22 H new ATOM 0 HE2 PHE A 30 21.581 -0.153 -0.135 1.00 22.31 H new ATOM 0 HZ PHE A 30 23.961 -0.094 -0.762 1.00 44.33 H new ATOM 458 N SER A 31 22.480 -7.374 2.257 1.00 24.22 N ATOM 459 CA SER A 31 23.152 -8.167 3.280 1.00 32.50 C ATOM 460 C SER A 31 24.100 -9.181 2.646 1.00 12.11 C ATOM 461 O SER A 31 25.237 -9.343 3.088 1.00 72.03 O ATOM 462 CB SER A 31 22.123 -8.890 4.152 1.00 61.22 C ATOM 463 OG SER A 31 22.690 -9.282 5.390 1.00 33.41 O ATOM 0 H SER A 31 21.462 -7.387 2.314 1.00 24.22 H new ATOM 0 HA SER A 31 23.736 -7.490 3.904 1.00 32.50 H new ATOM 0 HB2 SER A 31 21.269 -8.236 4.330 1.00 61.22 H new ATOM 0 HB3 SER A 31 21.748 -9.768 3.626 1.00 61.22 H new ATOM 0 HG SER A 31 22.012 -9.740 5.930 1.00 33.41 H new ATOM 469 N GLU A 32 23.622 -9.860 1.608 1.00 31.21 N ATOM 470 CA GLU A 32 24.426 -10.859 0.914 1.00 44.33 C ATOM 471 C GLU A 32 25.533 -10.195 0.099 1.00 23.25 C ATOM 472 O GLU A 32 26.665 -10.680 0.058 1.00 0.22 O ATOM 473 CB GLU A 32 23.544 -11.709 -0.002 1.00 62.45 C ATOM 474 CG GLU A 32 24.245 -12.941 -0.551 1.00 4.13 C ATOM 475 CD GLU A 32 24.599 -13.942 0.532 1.00 14.34 C ATOM 476 OE1 GLU A 32 23.716 -14.738 0.916 1.00 45.30 O ATOM 477 OE2 GLU A 32 25.758 -13.928 0.996 1.00 23.50 O ATOM 0 H GLU A 32 22.683 -9.737 1.229 1.00 31.21 H new ATOM 0 HA GLU A 32 24.886 -11.503 1.664 1.00 44.33 H new ATOM 0 HB2 GLU A 32 22.657 -12.021 0.549 1.00 62.45 H new ATOM 0 HB3 GLU A 32 23.202 -11.095 -0.835 1.00 62.45 H new ATOM 0 HG2 GLU A 32 23.602 -13.422 -1.289 1.00 4.13 H new ATOM 0 HG3 GLU A 32 25.154 -12.636 -1.070 1.00 4.13 H new ATOM 484 N LEU A 33 25.199 -9.084 -0.547 1.00 73.25 N ATOM 485 CA LEU A 33 26.163 -8.353 -1.362 1.00 23.12 C ATOM 486 C LEU A 33 27.382 -7.955 -0.536 1.00 3.11 C ATOM 487 O LEU A 33 28.508 -7.950 -1.035 1.00 20.04 O ATOM 488 CB LEU A 33 25.512 -7.107 -1.964 1.00 14.14 C ATOM 489 CG LEU A 33 26.397 -6.263 -2.881 1.00 2.22 C ATOM 490 CD1 LEU A 33 27.221 -5.276 -2.068 1.00 32.34 C ATOM 491 CD2 LEU A 33 27.303 -7.155 -3.716 1.00 62.25 C ATOM 0 H LEU A 33 24.268 -8.669 -0.522 1.00 73.25 H new ATOM 0 HA LEU A 33 26.491 -9.009 -2.168 1.00 23.12 H new ATOM 0 HB2 LEU A 33 24.632 -7.418 -2.527 1.00 14.14 H new ATOM 0 HB3 LEU A 33 25.162 -6.475 -1.148 1.00 14.14 H new ATOM 0 HG LEU A 33 25.753 -5.698 -3.556 1.00 2.22 H new ATOM 0 HD11 LEU A 33 27.845 -4.684 -2.738 1.00 32.34 H new ATOM 0 HD12 LEU A 33 26.554 -4.615 -1.514 1.00 32.34 H new ATOM 0 HD13 LEU A 33 27.855 -5.821 -1.369 1.00 32.34 H new ATOM 0 HD21 LEU A 33 27.926 -6.537 -4.363 1.00 62.25 H new ATOM 0 HD22 LEU A 33 27.939 -7.746 -3.057 1.00 62.25 H new ATOM 0 HD23 LEU A 33 26.694 -7.821 -4.327 1.00 62.25 H new ATOM 503 N TYR A 34 27.150 -7.624 0.729 1.00 5.34 N ATOM 504 CA TYR A 34 28.230 -7.224 1.625 1.00 75.02 C ATOM 505 C TYR A 34 29.178 -8.389 1.888 1.00 25.25 C ATOM 506 O TYR A 34 30.375 -8.194 2.101 1.00 2.23 O ATOM 507 CB TYR A 34 27.659 -6.708 2.947 1.00 53.54 C ATOM 508 CG TYR A 34 28.699 -6.537 4.030 1.00 23.32 C ATOM 509 CD1 TYR A 34 29.008 -7.580 4.895 1.00 34.00 C ATOM 510 CD2 TYR A 34 29.375 -5.333 4.188 1.00 21.55 C ATOM 511 CE1 TYR A 34 29.957 -7.428 5.887 1.00 60.51 C ATOM 512 CE2 TYR A 34 30.327 -5.173 5.177 1.00 62.44 C ATOM 513 CZ TYR A 34 30.614 -6.224 6.024 1.00 42.54 C ATOM 514 OH TYR A 34 31.562 -6.069 7.009 1.00 33.04 O ATOM 0 H TYR A 34 26.224 -7.624 1.158 1.00 5.34 H new ATOM 0 HA TYR A 34 28.791 -6.424 1.142 1.00 75.02 H new ATOM 0 HB2 TYR A 34 27.168 -5.751 2.772 1.00 53.54 H new ATOM 0 HB3 TYR A 34 26.893 -7.400 3.297 1.00 53.54 H new ATOM 0 HD1 TYR A 34 28.497 -8.526 4.790 1.00 34.00 H new ATOM 0 HD2 TYR A 34 29.153 -4.509 3.527 1.00 21.55 H new ATOM 0 HE1 TYR A 34 30.183 -8.248 6.552 1.00 60.51 H new ATOM 0 HE2 TYR A 34 30.843 -4.231 5.286 1.00 62.44 H new ATOM 0 HH TYR A 34 31.991 -6.932 7.189 1.00 33.04 H new ATOM 524 N ASP A 35 28.635 -9.601 1.872 1.00 61.21 N ATOM 525 CA ASP A 35 29.432 -10.800 2.107 1.00 0.32 C ATOM 526 C ASP A 35 30.270 -11.144 0.880 1.00 23.42 C ATOM 527 O ASP A 35 31.381 -11.661 1.001 1.00 65.21 O ATOM 528 CB ASP A 35 28.526 -11.978 2.469 1.00 50.34 C ATOM 529 CG ASP A 35 28.821 -12.533 3.848 1.00 14.33 C ATOM 530 OD1 ASP A 35 28.228 -12.034 4.827 1.00 15.32 O ATOM 531 OD2 ASP A 35 29.645 -13.466 3.949 1.00 1.43 O ATOM 0 H ASP A 35 27.646 -9.780 1.699 1.00 61.21 H new ATOM 0 HA ASP A 35 30.106 -10.601 2.940 1.00 0.32 H new ATOM 0 HB2 ASP A 35 27.485 -11.659 2.424 1.00 50.34 H new ATOM 0 HB3 ASP A 35 28.649 -12.768 1.729 1.00 50.34 H new ATOM 536 N ILE A 36 29.730 -10.856 -0.299 1.00 42.10 N ATOM 537 CA ILE A 36 30.429 -11.135 -1.547 1.00 73.55 C ATOM 538 C ILE A 36 31.256 -9.935 -1.995 1.00 74.25 C ATOM 539 O ILE A 36 32.147 -10.062 -2.835 1.00 44.21 O ATOM 540 CB ILE A 36 29.445 -11.515 -2.670 1.00 51.31 C ATOM 541 CG1 ILE A 36 30.192 -11.692 -3.994 1.00 34.52 C ATOM 542 CG2 ILE A 36 28.361 -10.455 -2.805 1.00 64.41 C ATOM 543 CD1 ILE A 36 30.158 -10.464 -4.876 1.00 74.43 C ATOM 0 H ILE A 36 28.811 -10.430 -0.416 1.00 42.10 H new ATOM 0 HA ILE A 36 31.093 -11.978 -1.355 1.00 73.55 H new ATOM 0 HB ILE A 36 28.970 -12.462 -2.413 1.00 51.31 H new ATOM 0 HG12 ILE A 36 31.230 -11.950 -3.784 1.00 34.52 H new ATOM 0 HG13 ILE A 36 29.758 -12.532 -4.537 1.00 34.52 H new ATOM 0 HG21 ILE A 36 27.673 -10.737 -3.602 1.00 64.41 H new ATOM 0 HG22 ILE A 36 27.814 -10.373 -1.866 1.00 64.41 H new ATOM 0 HG23 ILE A 36 28.819 -9.495 -3.044 1.00 64.41 H new ATOM 0 HD11 ILE A 36 30.707 -10.662 -5.797 1.00 74.43 H new ATOM 0 HD12 ILE A 36 29.124 -10.217 -5.116 1.00 74.43 H new ATOM 0 HD13 ILE A 36 30.619 -9.627 -4.352 1.00 74.43 H new ATOM 555 N ILE A 37 30.955 -8.772 -1.429 1.00 13.34 N ATOM 556 CA ILE A 37 31.672 -7.549 -1.768 1.00 24.14 C ATOM 557 C ILE A 37 33.177 -7.731 -1.603 1.00 23.44 C ATOM 558 O ILE A 37 33.970 -7.011 -2.209 1.00 64.11 O ATOM 559 CB ILE A 37 31.211 -6.366 -0.896 1.00 43.24 C ATOM 560 CG1 ILE A 37 31.637 -5.040 -1.531 1.00 61.44 C ATOM 561 CG2 ILE A 37 31.777 -6.491 0.510 1.00 23.42 C ATOM 562 CD1 ILE A 37 30.866 -4.697 -2.787 1.00 3.32 C ATOM 0 H ILE A 37 30.219 -8.650 -0.733 1.00 13.34 H new ATOM 0 HA ILE A 37 31.447 -7.330 -2.812 1.00 24.14 H new ATOM 0 HB ILE A 37 30.123 -6.384 -0.831 1.00 43.24 H new ATOM 0 HG12 ILE A 37 31.506 -4.239 -0.803 1.00 61.44 H new ATOM 0 HG13 ILE A 37 32.700 -5.085 -1.768 1.00 61.44 H new ATOM 0 HG21 ILE A 37 31.442 -5.647 1.113 1.00 23.42 H new ATOM 0 HG22 ILE A 37 31.429 -7.420 0.961 1.00 23.42 H new ATOM 0 HG23 ILE A 37 32.866 -6.495 0.465 1.00 23.42 H new ATOM 0 HD11 ILE A 37 31.220 -3.745 -3.183 1.00 3.32 H new ATOM 0 HD12 ILE A 37 31.017 -5.479 -3.532 1.00 3.32 H new ATOM 0 HD13 ILE A 37 29.804 -4.620 -2.553 1.00 3.32 H new ATOM 574 N ASP A 38 33.564 -8.700 -0.779 1.00 55.15 N ATOM 575 CA ASP A 38 34.974 -8.980 -0.536 1.00 51.34 C ATOM 576 C ASP A 38 35.524 -9.946 -1.581 1.00 31.45 C ATOM 577 O ASP A 38 36.018 -11.022 -1.244 1.00 71.03 O ATOM 578 CB ASP A 38 35.167 -9.560 0.866 1.00 54.15 C ATOM 579 CG ASP A 38 34.805 -8.571 1.956 1.00 35.12 C ATOM 580 OD1 ASP A 38 34.935 -7.352 1.718 1.00 31.24 O ATOM 581 OD2 ASP A 38 34.392 -9.016 3.048 1.00 53.02 O ATOM 0 H ASP A 38 32.920 -9.304 -0.268 1.00 55.15 H new ATOM 0 HA ASP A 38 35.524 -8.042 -0.610 1.00 51.34 H new ATOM 0 HB2 ASP A 38 34.554 -10.455 0.973 1.00 54.15 H new ATOM 0 HB3 ASP A 38 36.205 -9.868 0.989 1.00 54.15 H new ATOM 586 N GLU A 39 35.433 -9.555 -2.848 1.00 24.22 N ATOM 587 CA GLU A 39 35.920 -10.389 -3.941 1.00 5.24 C ATOM 588 C GLU A 39 36.628 -9.544 -4.996 1.00 5.23 C ATOM 589 O GLU A 39 37.727 -9.877 -5.438 1.00 1.21 O ATOM 590 CB GLU A 39 34.763 -11.158 -4.580 1.00 55.11 C ATOM 591 CG GLU A 39 34.246 -12.303 -3.725 1.00 3.11 C ATOM 592 CD GLU A 39 33.943 -13.547 -4.537 1.00 64.11 C ATOM 593 OE1 GLU A 39 34.679 -13.815 -5.509 1.00 65.53 O ATOM 594 OE2 GLU A 39 32.970 -14.253 -4.199 1.00 54.55 O ATOM 0 H GLU A 39 35.027 -8.667 -3.143 1.00 24.22 H new ATOM 0 HA GLU A 39 36.636 -11.101 -3.530 1.00 5.24 H new ATOM 0 HB2 GLU A 39 33.944 -10.466 -4.779 1.00 55.11 H new ATOM 0 HB3 GLU A 39 35.088 -11.553 -5.543 1.00 55.11 H new ATOM 0 HG2 GLU A 39 34.985 -12.544 -2.961 1.00 3.11 H new ATOM 0 HG3 GLU A 39 33.343 -11.984 -3.205 1.00 3.11 H new ATOM 601 N ASN A 40 35.990 -8.449 -5.395 1.00 13.34 N ATOM 602 CA ASN A 40 36.557 -7.556 -6.399 1.00 10.25 C ATOM 603 C ASN A 40 36.660 -8.254 -7.751 1.00 51.23 C ATOM 604 O ASN A 40 37.341 -7.775 -8.658 1.00 64.20 O ATOM 605 CB ASN A 40 37.939 -7.070 -5.956 1.00 53.24 C ATOM 606 CG ASN A 40 38.335 -5.767 -6.625 1.00 34.32 C ATOM 607 OD1 ASN A 40 37.518 -4.736 -6.441 1.00 25.51 O flip ATOM 608 ND2 ASN A 40 39.362 -5.689 -7.298 1.00 61.22 N flip ATOM 0 H ASN A 40 35.080 -8.158 -5.038 1.00 13.34 H new ATOM 0 HA ASN A 40 35.893 -6.698 -6.503 1.00 10.25 H new ATOM 0 HB2 ASN A 40 37.945 -6.936 -4.874 1.00 53.24 H new ATOM 0 HB3 ASN A 40 38.681 -7.834 -6.187 1.00 53.24 H new ATOM 0 HD21 ASN A 40 39.960 -6.507 -7.412 1.00 61.22 H new ATOM 0 HD22 ASN A 40 39.615 -4.806 -7.742 1.00 61.22 H new ATOM 615 N ASP A 41 35.978 -9.387 -7.879 1.00 43.24 N ATOM 616 CA ASP A 41 35.991 -10.150 -9.122 1.00 21.42 C ATOM 617 C ASP A 41 34.839 -9.730 -10.030 1.00 24.43 C ATOM 618 O ASP A 41 33.699 -9.598 -9.584 1.00 0.31 O ATOM 619 CB ASP A 41 35.903 -11.648 -8.826 1.00 22.45 C ATOM 620 CG ASP A 41 37.238 -12.235 -8.409 1.00 74.55 C ATOM 621 OD1 ASP A 41 38.281 -11.697 -8.834 1.00 65.02 O ATOM 622 OD2 ASP A 41 37.238 -13.233 -7.658 1.00 40.14 O ATOM 0 H ASP A 41 35.410 -9.797 -7.138 1.00 43.24 H new ATOM 0 HA ASP A 41 36.929 -9.943 -9.637 1.00 21.42 H new ATOM 0 HB2 ASP A 41 35.172 -11.817 -8.035 1.00 22.45 H new ATOM 0 HB3 ASP A 41 35.541 -12.170 -9.712 1.00 22.45 H new ATOM 627 N THR A 42 35.145 -9.521 -11.307 1.00 31.14 N ATOM 628 CA THR A 42 34.137 -9.114 -12.277 1.00 13.11 C ATOM 629 C THR A 42 33.149 -10.243 -12.550 1.00 43.44 C ATOM 630 O THR A 42 31.943 -10.015 -12.649 1.00 24.03 O ATOM 631 CB THR A 42 34.780 -8.677 -13.606 1.00 45.13 C ATOM 632 OG1 THR A 42 35.288 -9.820 -14.304 1.00 5.24 O ATOM 633 CG2 THR A 42 35.907 -7.684 -13.361 1.00 53.05 C ATOM 0 H THR A 42 36.083 -9.627 -11.693 1.00 31.14 H new ATOM 0 HA THR A 42 33.606 -8.267 -11.844 1.00 13.11 H new ATOM 0 HB THR A 42 34.015 -8.192 -14.212 1.00 45.13 H new ATOM 0 HG1 THR A 42 35.694 -9.534 -15.149 1.00 5.24 H new ATOM 0 HG21 THR A 42 36.346 -7.390 -14.314 1.00 53.05 H new ATOM 0 HG22 THR A 42 35.512 -6.803 -12.856 1.00 53.05 H new ATOM 0 HG23 THR A 42 36.671 -8.148 -12.737 1.00 53.05 H new ATOM 641 N ASP A 43 33.668 -11.460 -12.672 1.00 0.53 N ATOM 642 CA ASP A 43 32.831 -12.625 -12.932 1.00 40.02 C ATOM 643 C ASP A 43 31.907 -12.905 -11.751 1.00 62.51 C ATOM 644 O ASP A 43 30.723 -13.190 -11.930 1.00 13.43 O ATOM 645 CB ASP A 43 33.701 -13.850 -13.218 1.00 34.42 C ATOM 646 CG ASP A 43 34.087 -13.958 -14.680 1.00 33.21 C ATOM 647 OD1 ASP A 43 33.231 -13.668 -15.542 1.00 4.01 O ATOM 648 OD2 ASP A 43 35.244 -14.334 -14.962 1.00 41.21 O ATOM 0 H ASP A 43 34.664 -11.665 -12.595 1.00 0.53 H new ATOM 0 HA ASP A 43 32.217 -12.413 -13.807 1.00 40.02 H new ATOM 0 HB2 ASP A 43 34.604 -13.801 -12.610 1.00 34.42 H new ATOM 0 HB3 ASP A 43 33.164 -14.751 -12.919 1.00 34.42 H new ATOM 653 N VAL A 44 32.457 -12.825 -10.544 1.00 4.23 N ATOM 654 CA VAL A 44 31.683 -13.070 -9.333 1.00 1.12 C ATOM 655 C VAL A 44 30.688 -11.943 -9.079 1.00 43.11 C ATOM 656 O VAL A 44 29.556 -12.183 -8.660 1.00 64.22 O ATOM 657 CB VAL A 44 32.598 -13.219 -8.103 1.00 33.25 C ATOM 658 CG1 VAL A 44 31.769 -13.375 -6.837 1.00 32.33 C ATOM 659 CG2 VAL A 44 33.541 -14.399 -8.281 1.00 23.13 C ATOM 0 H VAL A 44 33.436 -12.592 -10.379 1.00 4.23 H new ATOM 0 HA VAL A 44 31.140 -14.002 -9.488 1.00 1.12 H new ATOM 0 HB VAL A 44 33.199 -12.315 -8.006 1.00 33.25 H new ATOM 0 HG11 VAL A 44 32.432 -13.479 -5.978 1.00 32.33 H new ATOM 0 HG12 VAL A 44 31.139 -12.496 -6.704 1.00 32.33 H new ATOM 0 HG13 VAL A 44 31.141 -14.262 -6.920 1.00 32.33 H new ATOM 0 HG21 VAL A 44 34.180 -14.490 -7.403 1.00 23.13 H new ATOM 0 HG22 VAL A 44 32.961 -15.313 -8.403 1.00 23.13 H new ATOM 0 HG23 VAL A 44 34.159 -14.241 -9.165 1.00 23.13 H new ATOM 669 N MET A 45 31.119 -10.712 -9.336 1.00 73.14 N ATOM 670 CA MET A 45 30.264 -9.547 -9.137 1.00 65.04 C ATOM 671 C MET A 45 29.158 -9.498 -10.187 1.00 24.34 C ATOM 672 O MET A 45 27.993 -9.271 -9.863 1.00 41.20 O ATOM 673 CB MET A 45 31.095 -8.263 -9.195 1.00 32.32 C ATOM 674 CG MET A 45 31.789 -7.930 -7.884 1.00 44.25 C ATOM 675 SD MET A 45 32.137 -6.169 -7.711 1.00 51.02 S ATOM 676 CE MET A 45 30.480 -5.490 -7.761 1.00 60.41 C ATOM 0 H MET A 45 32.054 -10.496 -9.682 1.00 73.14 H new ATOM 0 HA MET A 45 29.803 -9.630 -8.153 1.00 65.04 H new ATOM 0 HB2 MET A 45 31.845 -8.360 -9.980 1.00 32.32 H new ATOM 0 HB3 MET A 45 30.447 -7.433 -9.475 1.00 32.32 H new ATOM 0 HG2 MET A 45 31.164 -8.256 -7.053 1.00 44.25 H new ATOM 0 HG3 MET A 45 32.722 -8.489 -7.819 1.00 44.25 H new ATOM 0 HE1 MET A 45 30.430 -4.606 -7.126 1.00 60.41 H new ATOM 0 HE2 MET A 45 30.230 -5.216 -8.786 1.00 60.41 H new ATOM 0 HE3 MET A 45 29.770 -6.235 -7.402 1.00 60.41 H new ATOM 686 N MET A 46 29.532 -9.713 -11.444 1.00 34.11 N ATOM 687 CA MET A 46 28.570 -9.694 -12.540 1.00 71.30 C ATOM 688 C MET A 46 27.591 -10.859 -12.424 1.00 41.55 C ATOM 689 O MET A 46 26.408 -10.720 -12.735 1.00 12.02 O ATOM 690 CB MET A 46 29.296 -9.755 -13.885 1.00 42.12 C ATOM 691 CG MET A 46 29.843 -11.133 -14.219 1.00 23.32 C ATOM 692 SD MET A 46 28.688 -12.123 -15.187 1.00 23.43 S ATOM 693 CE MET A 46 29.013 -11.506 -16.836 1.00 64.45 C ATOM 0 H MET A 46 30.493 -9.902 -11.729 1.00 34.11 H new ATOM 0 HA MET A 46 28.008 -8.762 -12.481 1.00 71.30 H new ATOM 0 HB2 MET A 46 28.610 -9.445 -14.673 1.00 42.12 H new ATOM 0 HB3 MET A 46 30.118 -9.039 -13.878 1.00 42.12 H new ATOM 0 HG2 MET A 46 30.776 -11.025 -14.773 1.00 23.32 H new ATOM 0 HG3 MET A 46 30.080 -11.659 -13.294 1.00 23.32 H new ATOM 0 HE1 MET A 46 28.373 -12.023 -17.551 1.00 64.45 H new ATOM 0 HE2 MET A 46 28.806 -10.436 -16.872 1.00 64.45 H new ATOM 0 HE3 MET A 46 30.058 -11.682 -17.091 1.00 64.45 H new ATOM 703 N ASP A 47 28.092 -12.005 -11.977 1.00 42.40 N ATOM 704 CA ASP A 47 27.261 -13.193 -11.820 1.00 4.20 C ATOM 705 C ASP A 47 26.311 -13.039 -10.636 1.00 44.04 C ATOM 706 O ASP A 47 25.138 -13.403 -10.717 1.00 61.33 O ATOM 707 CB ASP A 47 28.137 -14.432 -11.629 1.00 43.02 C ATOM 708 CG ASP A 47 27.338 -15.645 -11.197 1.00 74.31 C ATOM 709 OD1 ASP A 47 26.235 -15.856 -11.746 1.00 4.03 O ATOM 710 OD2 ASP A 47 27.814 -16.385 -10.311 1.00 2.40 O ATOM 0 H ASP A 47 29.069 -12.137 -11.717 1.00 42.40 H new ATOM 0 HA ASP A 47 26.667 -13.313 -12.726 1.00 4.20 H new ATOM 0 HB2 ASP A 47 28.654 -14.655 -12.562 1.00 43.02 H new ATOM 0 HB3 ASP A 47 28.903 -14.220 -10.883 1.00 43.02 H new ATOM 715 N PHE A 48 26.826 -12.498 -9.537 1.00 64.12 N ATOM 716 CA PHE A 48 26.025 -12.298 -8.336 1.00 34.03 C ATOM 717 C PHE A 48 25.028 -11.160 -8.531 1.00 14.55 C ATOM 718 O PHE A 48 23.856 -11.278 -8.171 1.00 31.23 O ATOM 719 CB PHE A 48 26.928 -12.000 -7.138 1.00 24.14 C ATOM 720 CG PHE A 48 26.174 -11.585 -5.906 1.00 65.44 C ATOM 721 CD1 PHE A 48 25.785 -10.268 -5.727 1.00 44.33 C ATOM 722 CD2 PHE A 48 25.854 -12.513 -4.929 1.00 24.44 C ATOM 723 CE1 PHE A 48 25.092 -9.883 -4.595 1.00 63.50 C ATOM 724 CE2 PHE A 48 25.161 -12.135 -3.794 1.00 70.13 C ATOM 725 CZ PHE A 48 24.779 -10.818 -3.628 1.00 34.51 C ATOM 0 H PHE A 48 27.795 -12.190 -9.454 1.00 64.12 H new ATOM 0 HA PHE A 48 25.469 -13.216 -8.143 1.00 34.03 H new ATOM 0 HB2 PHE A 48 27.520 -12.886 -6.910 1.00 24.14 H new ATOM 0 HB3 PHE A 48 27.628 -11.210 -7.409 1.00 24.14 H new ATOM 0 HD1 PHE A 48 26.026 -9.533 -6.481 1.00 44.33 H new ATOM 0 HD2 PHE A 48 26.149 -13.544 -5.055 1.00 24.44 H new ATOM 0 HE1 PHE A 48 24.796 -8.852 -4.467 1.00 63.50 H new ATOM 0 HE2 PHE A 48 24.919 -12.868 -3.039 1.00 70.13 H new ATOM 0 HZ PHE A 48 24.236 -10.520 -2.743 1.00 34.51 H new ATOM 735 N ILE A 49 25.502 -10.057 -9.102 1.00 35.44 N ATOM 736 CA ILE A 49 24.652 -8.898 -9.345 1.00 4.13 C ATOM 737 C ILE A 49 23.508 -9.243 -10.292 1.00 21.44 C ATOM 738 O ILE A 49 22.348 -8.940 -10.016 1.00 55.41 O ATOM 739 CB ILE A 49 25.457 -7.725 -9.936 1.00 32.10 C ATOM 740 CG1 ILE A 49 25.936 -6.793 -8.821 1.00 33.20 C ATOM 741 CG2 ILE A 49 24.614 -6.961 -10.947 1.00 24.42 C ATOM 742 CD1 ILE A 49 27.010 -7.400 -7.946 1.00 32.11 C ATOM 0 H ILE A 49 26.469 -9.942 -9.405 1.00 35.44 H new ATOM 0 HA ILE A 49 24.243 -8.599 -8.380 1.00 4.13 H new ATOM 0 HB ILE A 49 26.331 -8.125 -10.449 1.00 32.10 H new ATOM 0 HG12 ILE A 49 26.317 -5.874 -9.266 1.00 33.20 H new ATOM 0 HG13 ILE A 49 25.085 -6.517 -8.199 1.00 33.20 H new ATOM 0 HG21 ILE A 49 25.196 -6.135 -11.356 1.00 24.42 H new ATOM 0 HG22 ILE A 49 24.318 -7.631 -11.754 1.00 24.42 H new ATOM 0 HG23 ILE A 49 23.723 -6.569 -10.456 1.00 24.42 H new ATOM 0 HD11 ILE A 49 27.301 -6.684 -7.178 1.00 32.11 H new ATOM 0 HD12 ILE A 49 26.626 -8.304 -7.473 1.00 32.11 H new ATOM 0 HD13 ILE A 49 27.878 -7.651 -8.556 1.00 32.11 H new ATOM 754 N SER A 50 23.843 -9.882 -11.408 1.00 65.01 N ATOM 755 CA SER A 50 22.844 -10.268 -12.398 1.00 3.24 C ATOM 756 C SER A 50 21.860 -11.275 -11.811 1.00 55.21 C ATOM 757 O SER A 50 20.665 -11.235 -12.106 1.00 71.20 O ATOM 758 CB SER A 50 23.523 -10.861 -13.634 1.00 34.32 C ATOM 759 OG SER A 50 22.679 -10.775 -14.769 1.00 43.23 O ATOM 0 H SER A 50 24.799 -10.144 -11.650 1.00 65.01 H new ATOM 0 HA SER A 50 22.292 -9.374 -12.690 1.00 3.24 H new ATOM 0 HB2 SER A 50 24.456 -10.332 -13.829 1.00 34.32 H new ATOM 0 HB3 SER A 50 23.781 -11.903 -13.447 1.00 34.32 H new ATOM 0 HG SER A 50 23.136 -11.159 -15.546 1.00 43.23 H new ATOM 765 N ARG A 51 22.370 -12.177 -10.979 1.00 42.41 N ATOM 766 CA ARG A 51 21.537 -13.195 -10.352 1.00 22.34 C ATOM 767 C ARG A 51 20.681 -12.590 -9.243 1.00 22.33 C ATOM 768 O ARG A 51 19.593 -13.083 -8.946 1.00 14.23 O ATOM 769 CB ARG A 51 22.408 -14.318 -9.784 1.00 11.44 C ATOM 770 CG ARG A 51 21.614 -15.413 -9.091 1.00 71.33 C ATOM 771 CD ARG A 51 22.505 -16.578 -8.689 1.00 4.43 C ATOM 772 NE ARG A 51 21.739 -17.681 -8.116 1.00 62.22 N ATOM 773 CZ ARG A 51 22.239 -18.895 -7.911 1.00 3.40 C ATOM 774 NH1 ARG A 51 23.499 -19.159 -8.230 1.00 10.45 N ATOM 775 NH2 ARG A 51 21.479 -19.847 -7.386 1.00 1.24 N ATOM 0 H ARG A 51 23.356 -12.223 -10.724 1.00 42.41 H new ATOM 0 HA ARG A 51 20.875 -13.607 -11.114 1.00 22.34 H new ATOM 0 HB2 ARG A 51 22.990 -14.759 -10.593 1.00 11.44 H new ATOM 0 HB3 ARG A 51 23.119 -13.892 -9.076 1.00 11.44 H new ATOM 0 HG2 ARG A 51 21.125 -15.005 -8.206 1.00 71.33 H new ATOM 0 HG3 ARG A 51 20.826 -15.768 -9.755 1.00 71.33 H new ATOM 0 HD2 ARG A 51 23.054 -16.933 -9.562 1.00 4.43 H new ATOM 0 HD3 ARG A 51 23.244 -16.236 -7.965 1.00 4.43 H new ATOM 0 HE ARG A 51 20.767 -17.510 -7.859 1.00 62.22 H new ATOM 0 HH11 ARG A 51 24.087 -18.429 -8.634 1.00 10.45 H new ATOM 0 HH12 ARG A 51 23.881 -20.092 -8.072 1.00 10.45 H new ATOM 0 HH21 ARG A 51 20.510 -19.648 -7.139 1.00 1.24 H new ATOM 0 HH22 ARG A 51 21.864 -20.778 -7.229 1.00 1.24 H new ATOM 789 N PHE A 52 21.181 -11.520 -8.634 1.00 30.13 N ATOM 790 CA PHE A 52 20.463 -10.849 -7.557 1.00 2.55 C ATOM 791 C PHE A 52 19.669 -9.660 -8.090 1.00 44.34 C ATOM 792 O PHE A 52 18.900 -9.036 -7.361 1.00 14.23 O ATOM 793 CB PHE A 52 21.442 -10.380 -6.478 1.00 13.33 C ATOM 794 CG PHE A 52 21.716 -11.416 -5.426 1.00 63.41 C ATOM 795 CD1 PHE A 52 22.151 -12.683 -5.780 1.00 63.44 C ATOM 796 CD2 PHE A 52 21.540 -11.124 -4.083 1.00 51.03 C ATOM 797 CE1 PHE A 52 22.404 -13.639 -4.815 1.00 31.32 C ATOM 798 CE2 PHE A 52 21.791 -12.076 -3.113 1.00 44.21 C ATOM 799 CZ PHE A 52 22.225 -13.335 -3.479 1.00 50.24 C ATOM 0 H PHE A 52 22.080 -11.099 -8.868 1.00 30.13 H new ATOM 0 HA PHE A 52 19.765 -11.563 -7.120 1.00 2.55 H new ATOM 0 HB2 PHE A 52 22.382 -10.096 -6.951 1.00 13.33 H new ATOM 0 HB3 PHE A 52 21.042 -9.485 -6.000 1.00 13.33 H new ATOM 0 HD1 PHE A 52 22.294 -12.926 -6.822 1.00 63.44 H new ATOM 0 HD2 PHE A 52 21.203 -10.141 -3.791 1.00 51.03 H new ATOM 0 HE1 PHE A 52 22.741 -14.623 -5.105 1.00 31.32 H new ATOM 0 HE2 PHE A 52 21.648 -11.836 -2.070 1.00 44.21 H new ATOM 0 HZ PHE A 52 22.424 -14.080 -2.723 1.00 50.24 H new ATOM 809 N ALA A 53 19.864 -9.352 -9.369 1.00 34.34 N ATOM 810 CA ALA A 53 19.166 -8.240 -10.001 1.00 53.04 C ATOM 811 C ALA A 53 17.883 -8.711 -10.678 1.00 50.44 C ATOM 812 O ALA A 53 17.772 -9.868 -11.082 1.00 71.33 O ATOM 813 CB ALA A 53 20.074 -7.551 -11.009 1.00 24.23 C ATOM 0 H ALA A 53 20.499 -9.857 -9.987 1.00 34.34 H new ATOM 0 HA ALA A 53 18.895 -7.525 -9.224 1.00 53.04 H new ATOM 0 HB1 ALA A 53 19.539 -6.722 -11.473 1.00 24.23 H new ATOM 0 HB2 ALA A 53 20.960 -7.172 -10.500 1.00 24.23 H new ATOM 0 HB3 ALA A 53 20.374 -8.265 -11.776 1.00 24.23 H new ATOM 819 N ARG A 54 16.917 -7.806 -10.799 1.00 34.25 N ATOM 820 CA ARG A 54 15.641 -8.130 -11.425 1.00 74.11 C ATOM 821 C ARG A 54 15.188 -7.004 -12.350 1.00 71.32 C ATOM 822 O ARG A 54 15.113 -5.844 -11.944 1.00 42.13 O ATOM 823 CB ARG A 54 14.575 -8.388 -10.358 1.00 40.51 C ATOM 824 CG ARG A 54 14.884 -9.577 -9.463 1.00 52.15 C ATOM 825 CD ARG A 54 15.309 -9.132 -8.073 1.00 20.42 C ATOM 826 NE ARG A 54 14.421 -9.652 -7.037 1.00 31.35 N ATOM 827 CZ ARG A 54 13.222 -9.145 -6.774 1.00 53.30 C ATOM 828 NH1 ARG A 54 12.770 -8.110 -7.469 1.00 13.24 N ATOM 829 NH2 ARG A 54 12.472 -9.673 -5.815 1.00 52.02 N ATOM 0 H ARG A 54 16.994 -6.843 -10.472 1.00 34.25 H new ATOM 0 HA ARG A 54 15.776 -9.034 -12.019 1.00 74.11 H new ATOM 0 HB2 ARG A 54 14.469 -7.497 -9.740 1.00 40.51 H new ATOM 0 HB3 ARG A 54 13.615 -8.552 -10.848 1.00 40.51 H new ATOM 0 HG2 ARG A 54 14.004 -10.216 -9.388 1.00 52.15 H new ATOM 0 HG3 ARG A 54 15.676 -10.176 -9.912 1.00 52.15 H new ATOM 0 HD2 ARG A 54 16.328 -9.469 -7.880 1.00 20.42 H new ATOM 0 HD3 ARG A 54 15.320 -8.043 -8.028 1.00 20.42 H new ATOM 0 HE ARG A 54 14.739 -10.448 -6.485 1.00 31.35 H new ATOM 0 HH11 ARG A 54 13.343 -7.702 -8.207 1.00 13.24 H new ATOM 0 HH12 ARG A 54 11.849 -7.722 -7.265 1.00 13.24 H new ATOM 0 HH21 ARG A 54 12.816 -10.469 -5.279 1.00 52.02 H new ATOM 0 HH22 ARG A 54 11.551 -9.282 -5.614 1.00 52.02 H new ATOM 843 N THR A 55 14.887 -7.354 -13.597 1.00 32.41 N ATOM 844 CA THR A 55 14.443 -6.374 -14.580 1.00 63.31 C ATOM 845 C THR A 55 12.993 -5.972 -14.340 1.00 32.12 C ATOM 846 O THR A 55 12.115 -6.265 -15.152 1.00 12.13 O ATOM 847 CB THR A 55 14.583 -6.916 -16.015 1.00 40.34 C ATOM 848 OG1 THR A 55 13.685 -8.013 -16.215 1.00 22.24 O ATOM 849 CG2 THR A 55 16.010 -7.366 -16.287 1.00 45.25 C ATOM 0 H THR A 55 14.943 -8.309 -13.950 1.00 32.41 H new ATOM 0 HA THR A 55 15.083 -5.499 -14.465 1.00 63.31 H new ATOM 0 HB THR A 55 14.334 -6.113 -16.708 1.00 40.34 H new ATOM 0 HG1 THR A 55 12.773 -7.735 -15.986 1.00 22.24 H new ATOM 0 HG21 THR A 55 16.084 -7.745 -17.306 1.00 45.25 H new ATOM 0 HG22 THR A 55 16.688 -6.521 -16.164 1.00 45.25 H new ATOM 0 HG23 THR A 55 16.283 -8.155 -15.586 1.00 45.25 H new ATOM 857 N ASP A 56 12.748 -5.299 -13.221 1.00 30.32 N ATOM 858 CA ASP A 56 11.403 -4.855 -12.875 1.00 11.14 C ATOM 859 C ASP A 56 11.391 -3.366 -12.542 1.00 23.23 C ATOM 860 O ASP A 56 12.434 -2.775 -12.263 1.00 31.32 O ATOM 861 CB ASP A 56 10.866 -5.659 -11.690 1.00 22.34 C ATOM 862 CG ASP A 56 11.055 -7.153 -11.871 1.00 12.33 C ATOM 863 OD1 ASP A 56 11.042 -7.616 -13.030 1.00 52.42 O ATOM 864 OD2 ASP A 56 11.214 -7.859 -10.853 1.00 4.33 O ATOM 0 H ASP A 56 13.463 -5.049 -12.538 1.00 30.32 H new ATOM 0 HA ASP A 56 10.759 -5.021 -13.739 1.00 11.14 H new ATOM 0 HB2 ASP A 56 11.372 -5.339 -10.779 1.00 22.34 H new ATOM 0 HB3 ASP A 56 9.806 -5.443 -11.559 1.00 22.34 H new ATOM 869 N GLU A 57 10.205 -2.767 -12.574 1.00 41.25 N ATOM 870 CA GLU A 57 10.059 -1.347 -12.278 1.00 43.50 C ATOM 871 C GLU A 57 9.029 -1.124 -11.175 1.00 32.13 C ATOM 872 O GLU A 57 8.598 -2.069 -10.513 1.00 63.45 O ATOM 873 CB GLU A 57 9.649 -0.580 -13.537 1.00 14.32 C ATOM 874 CG GLU A 57 10.529 -0.870 -14.741 1.00 33.22 C ATOM 875 CD GLU A 57 10.141 -0.053 -15.958 1.00 13.02 C ATOM 876 OE1 GLU A 57 8.937 -0.014 -16.288 1.00 1.54 O ATOM 877 OE2 GLU A 57 11.042 0.548 -16.580 1.00 72.52 O ATOM 0 H GLU A 57 9.332 -3.243 -12.802 1.00 41.25 H new ATOM 0 HA GLU A 57 11.023 -0.974 -11.932 1.00 43.50 H new ATOM 0 HB2 GLU A 57 8.617 -0.829 -13.784 1.00 14.32 H new ATOM 0 HB3 GLU A 57 9.677 0.489 -13.326 1.00 14.32 H new ATOM 0 HG2 GLU A 57 11.568 -0.663 -14.485 1.00 33.22 H new ATOM 0 HG3 GLU A 57 10.466 -1.930 -14.985 1.00 33.22 H new ATOM 884 N ILE A 58 8.639 0.131 -10.982 1.00 52.41 N ATOM 885 CA ILE A 58 7.659 0.478 -9.960 1.00 42.20 C ATOM 886 C ILE A 58 6.333 0.892 -10.588 1.00 35.01 C ATOM 887 O ILE A 58 6.297 1.714 -11.503 1.00 62.44 O ATOM 888 CB ILE A 58 8.166 1.620 -9.059 1.00 31.31 C ATOM 889 CG1 ILE A 58 9.121 2.527 -9.837 1.00 10.32 C ATOM 890 CG2 ILE A 58 8.851 1.055 -7.824 1.00 24.13 C ATOM 891 CD1 ILE A 58 8.458 3.264 -10.979 1.00 50.43 C ATOM 0 H ILE A 58 8.987 0.925 -11.520 1.00 52.41 H new ATOM 0 HA ILE A 58 7.508 -0.414 -9.352 1.00 42.20 H new ATOM 0 HB ILE A 58 7.312 2.216 -8.736 1.00 31.31 H new ATOM 0 HG12 ILE A 58 9.559 3.253 -9.152 1.00 10.32 H new ATOM 0 HG13 ILE A 58 9.941 1.926 -10.230 1.00 10.32 H new ATOM 0 HG21 ILE A 58 9.204 1.874 -7.197 1.00 24.13 H new ATOM 0 HG22 ILE A 58 8.143 0.446 -7.262 1.00 24.13 H new ATOM 0 HG23 ILE A 58 9.698 0.439 -8.127 1.00 24.13 H new ATOM 0 HD11 ILE A 58 9.194 3.888 -11.486 1.00 50.43 H new ATOM 0 HD12 ILE A 58 8.045 2.544 -11.685 1.00 50.43 H new ATOM 0 HD13 ILE A 58 7.657 3.892 -10.590 1.00 50.43 H new ATOM 903 N MET A 59 5.243 0.318 -10.088 1.00 41.10 N ATOM 904 CA MET A 59 3.913 0.630 -10.598 1.00 70.23 C ATOM 905 C MET A 59 3.444 1.993 -10.098 1.00 24.51 C ATOM 906 O MET A 59 4.013 2.569 -9.170 1.00 75.30 O ATOM 907 CB MET A 59 2.916 -0.451 -10.178 1.00 33.42 C ATOM 908 CG MET A 59 2.546 -1.407 -11.301 1.00 22.14 C ATOM 909 SD MET A 59 1.030 -2.323 -10.963 1.00 2.14 S ATOM 910 CE MET A 59 1.094 -3.570 -12.247 1.00 4.22 C ATOM 0 H MET A 59 5.255 -0.365 -9.331 1.00 41.10 H new ATOM 0 HA MET A 59 3.967 0.661 -11.686 1.00 70.23 H new ATOM 0 HB2 MET A 59 3.338 -1.021 -9.351 1.00 33.42 H new ATOM 0 HB3 MET A 59 2.010 0.027 -9.806 1.00 33.42 H new ATOM 0 HG2 MET A 59 2.427 -0.845 -12.227 1.00 22.14 H new ATOM 0 HG3 MET A 59 3.364 -2.111 -11.458 1.00 22.14 H new ATOM 0 HE1 MET A 59 0.220 -4.217 -12.170 1.00 4.22 H new ATOM 0 HE2 MET A 59 1.102 -3.086 -13.224 1.00 4.22 H new ATOM 0 HE3 MET A 59 1.999 -4.167 -12.130 1.00 4.22 H new ATOM 920 N PRO A 60 2.384 2.522 -10.725 1.00 74.35 N ATOM 921 CA PRO A 60 1.816 3.823 -10.360 1.00 74.21 C ATOM 922 C PRO A 60 1.121 3.792 -9.003 1.00 74.52 C ATOM 923 O PRO A 60 0.922 4.830 -8.374 1.00 54.12 O ATOM 924 CB PRO A 60 0.801 4.092 -11.474 1.00 43.53 C ATOM 925 CG PRO A 60 0.426 2.742 -11.979 1.00 55.34 C ATOM 926 CD PRO A 60 1.657 1.890 -11.840 1.00 13.43 C ATOM 0 HA PRO A 60 2.584 4.592 -10.269 1.00 74.21 H new ATOM 0 HB2 PRO A 60 -0.069 4.629 -11.096 1.00 43.53 H new ATOM 0 HB3 PRO A 60 1.234 4.704 -12.265 1.00 43.53 H new ATOM 0 HG2 PRO A 60 -0.402 2.327 -11.405 1.00 55.34 H new ATOM 0 HG3 PRO A 60 0.101 2.791 -13.018 1.00 55.34 H new ATOM 0 HD2 PRO A 60 1.405 0.853 -11.619 1.00 13.43 H new ATOM 0 HD3 PRO A 60 2.249 1.886 -12.755 1.00 13.43 H new ATOM 934 N GLU A 61 0.754 2.593 -8.558 1.00 45.54 N ATOM 935 CA GLU A 61 0.081 2.429 -7.275 1.00 62.34 C ATOM 936 C GLU A 61 1.095 2.291 -6.143 1.00 33.21 C ATOM 937 O GLU A 61 0.759 2.462 -4.971 1.00 0.41 O ATOM 938 CB GLU A 61 -0.834 1.203 -7.308 1.00 65.41 C ATOM 939 CG GLU A 61 -0.091 -0.115 -7.164 1.00 64.00 C ATOM 940 CD GLU A 61 -0.789 -1.259 -7.874 1.00 5.11 C ATOM 941 OE1 GLU A 61 -1.947 -1.072 -8.301 1.00 71.34 O ATOM 942 OE2 GLU A 61 -0.177 -2.340 -8.002 1.00 0.02 O ATOM 0 H GLU A 61 0.911 1.723 -9.067 1.00 45.54 H new ATOM 0 HA GLU A 61 -0.522 3.319 -7.093 1.00 62.34 H new ATOM 0 HB2 GLU A 61 -1.568 1.286 -6.506 1.00 65.41 H new ATOM 0 HB3 GLU A 61 -1.387 1.198 -8.247 1.00 65.41 H new ATOM 0 HG2 GLU A 61 0.917 -0.005 -7.564 1.00 64.00 H new ATOM 0 HG3 GLU A 61 0.011 -0.357 -6.106 1.00 64.00 H new ATOM 949 N ASP A 62 2.335 1.979 -6.502 1.00 1.31 N ATOM 950 CA ASP A 62 3.399 1.818 -5.517 1.00 54.51 C ATOM 951 C ASP A 62 4.413 2.953 -5.623 1.00 22.32 C ATOM 952 O ASP A 62 4.128 4.005 -6.195 1.00 75.31 O ATOM 953 CB ASP A 62 4.099 0.472 -5.706 1.00 73.14 C ATOM 954 CG ASP A 62 3.140 -0.626 -6.123 1.00 53.21 C ATOM 955 OD1 ASP A 62 2.111 -0.806 -5.438 1.00 64.21 O ATOM 956 OD2 ASP A 62 3.418 -1.305 -7.134 1.00 33.02 O ATOM 0 H ASP A 62 2.629 1.832 -7.468 1.00 1.31 H new ATOM 0 HA ASP A 62 2.950 1.848 -4.524 1.00 54.51 H new ATOM 0 HB2 ASP A 62 4.879 0.574 -6.460 1.00 73.14 H new ATOM 0 HB3 ASP A 62 4.590 0.187 -4.775 1.00 73.14 H new ATOM 961 N LYS A 63 5.599 2.732 -5.066 1.00 44.31 N ATOM 962 CA LYS A 63 6.658 3.735 -5.097 1.00 72.31 C ATOM 963 C LYS A 63 8.029 3.083 -4.951 1.00 20.21 C ATOM 964 O LYS A 63 8.140 1.860 -4.853 1.00 40.23 O ATOM 965 CB LYS A 63 6.448 4.762 -3.982 1.00 42.14 C ATOM 966 CG LYS A 63 5.394 4.353 -2.968 1.00 62.33 C ATOM 967 CD LYS A 63 5.414 5.257 -1.747 1.00 62.03 C ATOM 968 CE LYS A 63 4.531 6.480 -1.945 1.00 21.44 C ATOM 969 NZ LYS A 63 4.674 7.453 -0.827 1.00 34.03 N ATOM 0 H LYS A 63 5.851 1.867 -4.588 1.00 44.31 H new ATOM 0 HA LYS A 63 6.617 4.241 -6.061 1.00 72.31 H new ATOM 0 HB2 LYS A 63 7.394 4.923 -3.465 1.00 42.14 H new ATOM 0 HB3 LYS A 63 6.162 5.715 -4.427 1.00 42.14 H new ATOM 0 HG2 LYS A 63 4.408 4.389 -3.432 1.00 62.33 H new ATOM 0 HG3 LYS A 63 5.565 3.321 -2.661 1.00 62.33 H new ATOM 0 HD2 LYS A 63 5.075 4.699 -0.874 1.00 62.03 H new ATOM 0 HD3 LYS A 63 6.437 5.574 -1.544 1.00 62.03 H new ATOM 0 HE2 LYS A 63 4.790 6.967 -2.885 1.00 21.44 H new ATOM 0 HE3 LYS A 63 3.490 6.167 -2.024 1.00 21.44 H new ATOM 0 HZ1 LYS A 63 4.057 8.272 -0.999 1.00 34.03 H new ATOM 0 HZ2 LYS A 63 4.403 6.997 0.067 1.00 34.03 H new ATOM 0 HZ3 LYS A 63 5.662 7.771 -0.768 1.00 34.03 H new ATOM 983 N THR A 64 9.072 3.907 -4.935 1.00 24.30 N ATOM 984 CA THR A 64 10.436 3.410 -4.800 1.00 41.42 C ATOM 985 C THR A 64 11.116 3.999 -3.569 1.00 61.42 C ATOM 986 O THR A 64 11.232 5.217 -3.434 1.00 64.23 O ATOM 987 CB THR A 64 11.280 3.741 -6.046 1.00 32.31 C ATOM 988 OG1 THR A 64 10.681 3.162 -7.211 1.00 11.22 O ATOM 989 CG2 THR A 64 12.701 3.222 -5.890 1.00 4.24 C ATOM 0 H THR A 64 8.998 4.921 -5.014 1.00 24.30 H new ATOM 0 HA THR A 64 10.369 2.327 -4.692 1.00 41.42 H new ATOM 0 HB THR A 64 11.316 4.825 -6.156 1.00 32.31 H new ATOM 0 HG1 THR A 64 11.128 2.316 -7.423 1.00 11.22 H new ATOM 0 HG21 THR A 64 13.278 3.467 -6.782 1.00 4.24 H new ATOM 0 HG22 THR A 64 13.164 3.686 -5.019 1.00 4.24 H new ATOM 0 HG23 THR A 64 12.681 2.140 -5.757 1.00 4.24 H new ATOM 997 N VAL A 65 11.565 3.126 -2.673 1.00 31.32 N ATOM 998 CA VAL A 65 12.236 3.559 -1.453 1.00 14.01 C ATOM 999 C VAL A 65 13.294 4.614 -1.753 1.00 42.30 C ATOM 1000 O VAL A 65 13.315 5.680 -1.139 1.00 53.31 O ATOM 1001 CB VAL A 65 12.899 2.374 -0.726 1.00 42.31 C ATOM 1002 CG1 VAL A 65 13.425 2.809 0.634 1.00 60.54 C ATOM 1003 CG2 VAL A 65 11.918 1.220 -0.584 1.00 4.22 C ATOM 0 H VAL A 65 11.476 2.114 -2.769 1.00 31.32 H new ATOM 0 HA VAL A 65 11.471 3.990 -0.807 1.00 14.01 H new ATOM 0 HB VAL A 65 13.744 2.030 -1.323 1.00 42.31 H new ATOM 0 HG11 VAL A 65 13.890 1.959 1.133 1.00 60.54 H new ATOM 0 HG12 VAL A 65 14.163 3.601 0.503 1.00 60.54 H new ATOM 0 HG13 VAL A 65 12.600 3.180 1.242 1.00 60.54 H new ATOM 0 HG21 VAL A 65 12.403 0.391 -0.068 1.00 4.22 H new ATOM 0 HG22 VAL A 65 11.052 1.548 -0.010 1.00 4.22 H new ATOM 0 HG23 VAL A 65 11.595 0.893 -1.572 1.00 4.22 H new ATOM 1013 N GLY A 66 14.173 4.310 -2.703 1.00 23.30 N ATOM 1014 CA GLY A 66 15.223 5.242 -3.069 1.00 2.42 C ATOM 1015 C GLY A 66 16.399 4.559 -3.738 1.00 72.43 C ATOM 1016 O GLY A 66 16.313 3.391 -4.119 1.00 33.23 O ATOM 0 H GLY A 66 14.176 3.434 -3.226 1.00 23.30 H new ATOM 0 HA2 GLY A 66 14.816 5.997 -3.741 1.00 2.42 H new ATOM 0 HA3 GLY A 66 15.569 5.763 -2.176 1.00 2.42 H new ATOM 1020 N PHE A 67 17.500 5.287 -3.885 1.00 3.54 N ATOM 1021 CA PHE A 67 18.698 4.745 -4.516 1.00 32.14 C ATOM 1022 C PHE A 67 19.916 4.924 -3.615 1.00 1.24 C ATOM 1023 O PHE A 67 20.075 5.958 -2.965 1.00 22.31 O ATOM 1024 CB PHE A 67 18.942 5.425 -5.864 1.00 42.22 C ATOM 1025 CG PHE A 67 19.369 6.860 -5.743 1.00 42.11 C ATOM 1026 CD1 PHE A 67 20.709 7.190 -5.623 1.00 5.12 C ATOM 1027 CD2 PHE A 67 18.430 7.879 -5.749 1.00 21.00 C ATOM 1028 CE1 PHE A 67 21.106 8.510 -5.512 1.00 31.44 C ATOM 1029 CE2 PHE A 67 18.821 9.200 -5.639 1.00 14.15 C ATOM 1030 CZ PHE A 67 20.160 9.516 -5.518 1.00 71.24 C ATOM 0 H PHE A 67 17.588 6.255 -3.576 1.00 3.54 H new ATOM 0 HA PHE A 67 18.542 3.678 -4.678 1.00 32.14 H new ATOM 0 HB2 PHE A 67 19.707 4.871 -6.408 1.00 42.22 H new ATOM 0 HB3 PHE A 67 18.029 5.375 -6.458 1.00 42.22 H new ATOM 0 HD1 PHE A 67 21.453 6.407 -5.616 1.00 5.12 H new ATOM 0 HD2 PHE A 67 17.381 7.638 -5.841 1.00 21.00 H new ATOM 0 HE1 PHE A 67 22.154 8.754 -5.421 1.00 31.44 H new ATOM 0 HE2 PHE A 67 18.079 9.985 -5.648 1.00 14.15 H new ATOM 0 HZ PHE A 67 20.467 10.548 -5.428 1.00 71.24 H new ATOM 1040 N VAL A 68 20.774 3.909 -3.580 1.00 51.34 N ATOM 1041 CA VAL A 68 21.978 3.954 -2.760 1.00 65.31 C ATOM 1042 C VAL A 68 23.234 3.891 -3.623 1.00 74.21 C ATOM 1043 O VAL A 68 23.353 3.038 -4.503 1.00 51.33 O ATOM 1044 CB VAL A 68 22.009 2.796 -1.744 1.00 54.42 C ATOM 1045 CG1 VAL A 68 23.263 2.871 -0.886 1.00 54.25 C ATOM 1046 CG2 VAL A 68 20.758 2.816 -0.878 1.00 23.30 C ATOM 0 H VAL A 68 20.657 3.046 -4.110 1.00 51.34 H new ATOM 0 HA VAL A 68 21.958 4.901 -2.221 1.00 65.31 H new ATOM 0 HB VAL A 68 22.030 1.854 -2.292 1.00 54.42 H new ATOM 0 HG11 VAL A 68 23.267 2.045 -0.175 1.00 54.25 H new ATOM 0 HG12 VAL A 68 24.145 2.805 -1.524 1.00 54.25 H new ATOM 0 HG13 VAL A 68 23.277 3.817 -0.344 1.00 54.25 H new ATOM 0 HG21 VAL A 68 20.795 1.992 -0.166 1.00 23.30 H new ATOM 0 HG22 VAL A 68 20.705 3.761 -0.337 1.00 23.30 H new ATOM 0 HG23 VAL A 68 19.876 2.710 -1.510 1.00 23.30 H new ATOM 1056 N VAL A 69 24.169 4.799 -3.365 1.00 1.23 N ATOM 1057 CA VAL A 69 25.417 4.846 -4.117 1.00 3.54 C ATOM 1058 C VAL A 69 26.591 4.381 -3.263 1.00 3.14 C ATOM 1059 O VAL A 69 26.897 4.978 -2.230 1.00 31.20 O ATOM 1060 CB VAL A 69 25.706 6.267 -4.636 1.00 40.42 C ATOM 1061 CG1 VAL A 69 26.961 6.277 -5.496 1.00 32.01 C ATOM 1062 CG2 VAL A 69 24.513 6.803 -5.414 1.00 20.53 C ATOM 0 H VAL A 69 24.086 5.512 -2.641 1.00 1.23 H new ATOM 0 HA VAL A 69 25.300 4.173 -4.967 1.00 3.54 H new ATOM 0 HB VAL A 69 25.876 6.920 -3.780 1.00 40.42 H new ATOM 0 HG11 VAL A 69 27.149 7.289 -5.854 1.00 32.01 H new ATOM 0 HG12 VAL A 69 27.811 5.938 -4.904 1.00 32.01 H new ATOM 0 HG13 VAL A 69 26.824 5.611 -6.348 1.00 32.01 H new ATOM 0 HG21 VAL A 69 24.735 7.808 -5.773 1.00 20.53 H new ATOM 0 HG22 VAL A 69 24.310 6.151 -6.263 1.00 20.53 H new ATOM 0 HG23 VAL A 69 23.639 6.835 -4.763 1.00 20.53 H new ATOM 1072 N VAL A 70 27.247 3.311 -3.701 1.00 3.24 N ATOM 1073 CA VAL A 70 28.390 2.766 -2.977 1.00 72.24 C ATOM 1074 C VAL A 70 29.617 2.675 -3.877 1.00 62.31 C ATOM 1075 O VAL A 70 29.615 1.956 -4.875 1.00 65.14 O ATOM 1076 CB VAL A 70 28.079 1.368 -2.409 1.00 10.53 C ATOM 1077 CG1 VAL A 70 29.151 0.946 -1.415 1.00 74.45 C ATOM 1078 CG2 VAL A 70 26.703 1.352 -1.760 1.00 70.33 C ATOM 0 H VAL A 70 27.007 2.804 -4.553 1.00 3.24 H new ATOM 0 HA VAL A 70 28.597 3.448 -2.152 1.00 72.24 H new ATOM 0 HB VAL A 70 28.077 0.652 -3.231 1.00 10.53 H new ATOM 0 HG11 VAL A 70 28.915 -0.044 -1.024 1.00 74.45 H new ATOM 0 HG12 VAL A 70 30.119 0.918 -1.915 1.00 74.45 H new ATOM 0 HG13 VAL A 70 29.187 1.662 -0.594 1.00 74.45 H new ATOM 0 HG21 VAL A 70 26.499 0.357 -1.364 1.00 70.33 H new ATOM 0 HG22 VAL A 70 26.675 2.079 -0.948 1.00 70.33 H new ATOM 0 HG23 VAL A 70 25.947 1.609 -2.503 1.00 70.33 H new ATOM 1088 N ASN A 71 30.665 3.409 -3.516 1.00 33.44 N ATOM 1089 CA ASN A 71 31.900 3.411 -4.291 1.00 22.14 C ATOM 1090 C ASN A 71 33.072 2.918 -3.447 1.00 61.34 C ATOM 1091 O ASN A 71 33.509 3.595 -2.518 1.00 24.14 O ATOM 1092 CB ASN A 71 32.193 4.817 -4.818 1.00 61.12 C ATOM 1093 CG ASN A 71 31.004 5.423 -5.539 1.00 4.44 C ATOM 1094 OD1 ASN A 71 30.249 6.258 -4.834 1.00 74.43 O flip ATOM 1095 ND2 ASN A 71 30.769 5.145 -6.714 1.00 40.24 N flip ATOM 0 H ASN A 71 30.683 4.010 -2.692 1.00 33.44 H new ATOM 0 HA ASN A 71 31.772 2.733 -5.135 1.00 22.14 H new ATOM 0 HB2 ASN A 71 32.478 5.462 -3.987 1.00 61.12 H new ATOM 0 HB3 ASN A 71 33.045 4.778 -5.497 1.00 61.12 H new ATOM 0 HD21 ASN A 71 31.377 4.498 -7.216 1.00 40.24 H new ATOM 0 HD22 ASN A 71 29.966 5.562 -7.186 1.00 40.24 H new ATOM 1102 N ALA A 72 33.576 1.734 -3.780 1.00 22.21 N ATOM 1103 CA ALA A 72 34.699 1.151 -3.056 1.00 32.24 C ATOM 1104 C ALA A 72 35.986 1.924 -3.322 1.00 55.45 C ATOM 1105 O ALA A 72 36.825 2.077 -2.435 1.00 12.03 O ATOM 1106 CB ALA A 72 34.871 -0.312 -3.438 1.00 1.23 C ATOM 0 H ALA A 72 33.224 1.160 -4.546 1.00 22.21 H new ATOM 0 HA ALA A 72 34.483 1.214 -1.989 1.00 32.24 H new ATOM 0 HB1 ALA A 72 35.713 -0.735 -2.890 1.00 1.23 H new ATOM 0 HB2 ALA A 72 33.963 -0.862 -3.189 1.00 1.23 H new ATOM 0 HB3 ALA A 72 35.060 -0.389 -4.509 1.00 1.23 H new ATOM 1112 N ASP A 73 36.135 2.410 -4.550 1.00 34.20 N ATOM 1113 CA ASP A 73 37.320 3.168 -4.934 1.00 14.34 C ATOM 1114 C ASP A 73 37.466 4.420 -4.074 1.00 34.12 C ATOM 1115 O ASP A 73 38.576 4.823 -3.728 1.00 24.32 O ATOM 1116 CB ASP A 73 37.247 3.555 -6.412 1.00 1.34 C ATOM 1117 CG ASP A 73 36.490 4.849 -6.635 1.00 14.43 C ATOM 1118 OD1 ASP A 73 35.257 4.858 -6.433 1.00 51.15 O ATOM 1119 OD2 ASP A 73 37.130 5.854 -7.010 1.00 34.23 O ATOM 0 H ASP A 73 35.450 2.292 -5.296 1.00 34.20 H new ATOM 0 HA ASP A 73 38.193 2.536 -4.775 1.00 14.34 H new ATOM 0 HB2 ASP A 73 38.257 3.656 -6.808 1.00 1.34 H new ATOM 0 HB3 ASP A 73 36.764 2.754 -6.971 1.00 1.34 H new ATOM 1124 N LYS A 74 36.337 5.032 -3.733 1.00 13.12 N ATOM 1125 CA LYS A 74 36.337 6.238 -2.913 1.00 43.24 C ATOM 1126 C LYS A 74 36.163 5.893 -1.438 1.00 1.43 C ATOM 1127 O LYS A 74 36.327 6.748 -0.566 1.00 72.43 O ATOM 1128 CB LYS A 74 35.222 7.185 -3.362 1.00 33.20 C ATOM 1129 CG LYS A 74 35.496 7.860 -4.694 1.00 42.25 C ATOM 1130 CD LYS A 74 34.239 8.492 -5.269 1.00 22.20 C ATOM 1131 CE LYS A 74 34.539 9.276 -6.537 1.00 42.30 C ATOM 1132 NZ LYS A 74 35.356 10.490 -6.258 1.00 63.33 N ATOM 0 H LYS A 74 35.409 4.712 -4.012 1.00 13.12 H new ATOM 0 HA LYS A 74 37.299 6.734 -3.040 1.00 43.24 H new ATOM 0 HB2 LYS A 74 34.289 6.626 -3.433 1.00 33.20 H new ATOM 0 HB3 LYS A 74 35.078 7.950 -2.599 1.00 33.20 H new ATOM 0 HG2 LYS A 74 36.262 8.625 -4.565 1.00 42.25 H new ATOM 0 HG3 LYS A 74 35.892 7.129 -5.399 1.00 42.25 H new ATOM 0 HD2 LYS A 74 33.506 7.715 -5.485 1.00 22.20 H new ATOM 0 HD3 LYS A 74 33.792 9.154 -4.528 1.00 22.20 H new ATOM 0 HE2 LYS A 74 35.069 8.636 -7.243 1.00 42.30 H new ATOM 0 HE3 LYS A 74 33.603 9.569 -7.013 1.00 42.30 H new ATOM 0 HZ1 LYS A 74 35.355 11.109 -7.094 1.00 63.33 H new ATOM 0 HZ2 LYS A 74 34.952 11.002 -5.448 1.00 63.33 H new ATOM 0 HZ3 LYS A 74 36.332 10.208 -6.037 1.00 63.33 H new ATOM 1146 N LYS A 75 35.832 4.636 -1.164 1.00 15.33 N ATOM 1147 CA LYS A 75 35.638 4.177 0.207 1.00 71.15 C ATOM 1148 C LYS A 75 34.518 4.956 0.888 1.00 34.13 C ATOM 1149 O LYS A 75 34.620 5.310 2.064 1.00 42.35 O ATOM 1150 CB LYS A 75 36.935 4.325 1.004 1.00 4.32 C ATOM 1151 CG LYS A 75 37.923 3.195 0.775 1.00 63.44 C ATOM 1152 CD LYS A 75 39.143 3.329 1.671 1.00 33.22 C ATOM 1153 CE LYS A 75 40.295 2.468 1.177 1.00 43.31 C ATOM 1154 NZ LYS A 75 39.980 1.015 1.265 1.00 44.50 N ATOM 0 H LYS A 75 35.692 3.916 -1.873 1.00 15.33 H new ATOM 0 HA LYS A 75 35.357 3.124 0.175 1.00 71.15 H new ATOM 0 HB2 LYS A 75 37.409 5.270 0.738 1.00 4.32 H new ATOM 0 HB3 LYS A 75 36.695 4.377 2.066 1.00 4.32 H new ATOM 0 HG2 LYS A 75 37.434 2.239 0.965 1.00 63.44 H new ATOM 0 HG3 LYS A 75 38.236 3.191 -0.269 1.00 63.44 H new ATOM 0 HD2 LYS A 75 39.457 4.372 1.707 1.00 33.22 H new ATOM 0 HD3 LYS A 75 38.882 3.040 2.689 1.00 33.22 H new ATOM 0 HE2 LYS A 75 40.525 2.728 0.144 1.00 43.31 H new ATOM 0 HE3 LYS A 75 41.187 2.682 1.766 1.00 43.31 H new ATOM 0 HZ1 LYS A 75 40.790 0.463 0.919 1.00 44.50 H new ATOM 0 HZ2 LYS A 75 39.785 0.761 2.255 1.00 44.50 H new ATOM 0 HZ3 LYS A 75 39.144 0.805 0.683 1.00 44.50 H new ATOM 1168 N LEU A 76 33.448 5.218 0.145 1.00 44.20 N ATOM 1169 CA LEU A 76 32.307 5.954 0.679 1.00 44.14 C ATOM 1170 C LEU A 76 30.994 5.364 0.174 1.00 45.12 C ATOM 1171 O LEU A 76 30.939 4.785 -0.911 1.00 3.32 O ATOM 1172 CB LEU A 76 32.400 7.430 0.288 1.00 12.22 C ATOM 1173 CG LEU A 76 33.075 7.729 -1.051 1.00 3.44 C ATOM 1174 CD1 LEU A 76 32.191 7.287 -2.206 1.00 34.54 C ATOM 1175 CD2 LEU A 76 33.401 9.212 -1.164 1.00 63.50 C ATOM 0 H LEU A 76 33.347 4.932 -0.829 1.00 44.20 H new ATOM 0 HA LEU A 76 32.327 5.870 1.766 1.00 44.14 H new ATOM 0 HB2 LEU A 76 31.392 7.843 0.264 1.00 12.22 H new ATOM 0 HB3 LEU A 76 32.942 7.959 1.072 1.00 12.22 H new ATOM 0 HG LEU A 76 34.008 7.167 -1.099 1.00 3.44 H new ATOM 0 HD11 LEU A 76 32.689 7.508 -3.150 1.00 34.54 H new ATOM 0 HD12 LEU A 76 32.008 6.215 -2.135 1.00 34.54 H new ATOM 0 HD13 LEU A 76 31.242 7.821 -2.162 1.00 34.54 H new ATOM 0 HD21 LEU A 76 33.881 9.407 -2.123 1.00 63.50 H new ATOM 0 HD22 LEU A 76 32.481 9.793 -1.094 1.00 63.50 H new ATOM 0 HD23 LEU A 76 34.074 9.499 -0.356 1.00 63.50 H new ATOM 1187 N MET A 77 29.939 5.517 0.967 1.00 23.12 N ATOM 1188 CA MET A 77 28.626 5.002 0.599 1.00 74.13 C ATOM 1189 C MET A 77 27.521 5.944 1.067 1.00 3.22 C ATOM 1190 O MET A 77 27.455 6.301 2.243 1.00 11.43 O ATOM 1191 CB MET A 77 28.413 3.610 1.198 1.00 42.40 C ATOM 1192 CG MET A 77 27.030 3.039 0.932 1.00 12.13 C ATOM 1193 SD MET A 77 25.910 3.252 2.330 1.00 42.44 S ATOM 1194 CE MET A 77 24.872 1.803 2.156 1.00 41.12 C ATOM 0 H MET A 77 29.968 5.993 1.868 1.00 23.12 H new ATOM 0 HA MET A 77 28.583 4.932 -0.488 1.00 74.13 H new ATOM 0 HB2 MET A 77 29.162 2.930 0.792 1.00 42.40 H new ATOM 0 HB3 MET A 77 28.576 3.658 2.275 1.00 42.40 H new ATOM 0 HG2 MET A 77 26.604 3.523 0.053 1.00 12.13 H new ATOM 0 HG3 MET A 77 27.118 1.978 0.700 1.00 12.13 H new ATOM 0 HE1 MET A 77 23.931 1.964 2.682 1.00 41.12 H new ATOM 0 HE2 MET A 77 24.672 1.624 1.100 1.00 41.12 H new ATOM 0 HE3 MET A 77 25.381 0.938 2.581 1.00 41.12 H new ATOM 1204 N SER A 78 26.657 6.343 0.140 1.00 50.33 N ATOM 1205 CA SER A 78 25.558 7.248 0.457 1.00 20.45 C ATOM 1206 C SER A 78 24.215 6.616 0.102 1.00 2.35 C ATOM 1207 O SER A 78 24.062 6.010 -0.958 1.00 21.32 O ATOM 1208 CB SER A 78 25.726 8.571 -0.291 1.00 50.21 C ATOM 1209 OG SER A 78 27.094 8.924 -0.402 1.00 51.23 O ATOM 0 H SER A 78 26.696 6.054 -0.837 1.00 50.33 H new ATOM 0 HA SER A 78 25.577 7.441 1.530 1.00 20.45 H new ATOM 0 HB2 SER A 78 25.287 8.489 -1.285 1.00 50.21 H new ATOM 0 HB3 SER A 78 25.185 9.359 0.232 1.00 50.21 H new ATOM 0 HG SER A 78 27.175 9.773 -0.886 1.00 51.23 H new ATOM 1215 N VAL A 79 23.244 6.764 0.998 1.00 71.20 N ATOM 1216 CA VAL A 79 21.913 6.210 0.780 1.00 31.24 C ATOM 1217 C VAL A 79 20.862 7.312 0.722 1.00 14.31 C ATOM 1218 O VAL A 79 20.679 8.061 1.682 1.00 55.12 O ATOM 1219 CB VAL A 79 21.533 5.211 1.890 1.00 55.05 C ATOM 1220 CG1 VAL A 79 20.135 4.658 1.654 1.00 0.43 C ATOM 1221 CG2 VAL A 79 22.554 4.086 1.966 1.00 53.10 C ATOM 0 H VAL A 79 23.354 7.263 1.881 1.00 71.20 H new ATOM 0 HA VAL A 79 21.940 5.687 -0.176 1.00 31.24 H new ATOM 0 HB VAL A 79 21.534 5.737 2.845 1.00 55.05 H new ATOM 0 HG11 VAL A 79 19.883 3.954 2.447 1.00 0.43 H new ATOM 0 HG12 VAL A 79 19.415 5.477 1.653 1.00 0.43 H new ATOM 0 HG13 VAL A 79 20.104 4.147 0.692 1.00 0.43 H new ATOM 0 HG21 VAL A 79 22.270 3.390 2.755 1.00 53.10 H new ATOM 0 HG22 VAL A 79 22.587 3.560 1.012 1.00 53.10 H new ATOM 0 HG23 VAL A 79 23.538 4.501 2.185 1.00 53.10 H new ATOM 1231 N SER A 80 20.172 7.406 -0.411 1.00 24.14 N ATOM 1232 CA SER A 80 19.141 8.419 -0.596 1.00 55.50 C ATOM 1233 C SER A 80 17.769 7.773 -0.768 1.00 42.52 C ATOM 1234 O SER A 80 17.544 7.009 -1.706 1.00 72.52 O ATOM 1235 CB SER A 80 19.463 9.290 -1.812 1.00 63.43 C ATOM 1236 OG SER A 80 20.743 9.886 -1.688 1.00 31.32 O ATOM 0 H SER A 80 20.309 6.792 -1.214 1.00 24.14 H new ATOM 0 HA SER A 80 19.119 9.046 0.295 1.00 55.50 H new ATOM 0 HB2 SER A 80 19.427 8.684 -2.717 1.00 63.43 H new ATOM 0 HB3 SER A 80 18.705 10.067 -1.918 1.00 63.43 H new ATOM 0 HG SER A 80 20.926 10.436 -2.478 1.00 31.32 H new ATOM 1242 N PHE A 81 16.856 8.087 0.145 1.00 53.14 N ATOM 1243 CA PHE A 81 15.506 7.537 0.096 1.00 51.23 C ATOM 1244 C PHE A 81 14.467 8.621 0.370 1.00 70.35 C ATOM 1245 O PHE A 81 14.711 9.549 1.140 1.00 32.14 O ATOM 1246 CB PHE A 81 15.357 6.404 1.112 1.00 21.55 C ATOM 1247 CG PHE A 81 16.043 6.677 2.420 1.00 0.43 C ATOM 1248 CD1 PHE A 81 15.560 7.651 3.280 1.00 25.44 C ATOM 1249 CD2 PHE A 81 17.171 5.962 2.789 1.00 32.04 C ATOM 1250 CE1 PHE A 81 16.189 7.905 4.485 1.00 61.01 C ATOM 1251 CE2 PHE A 81 17.803 6.212 3.993 1.00 63.44 C ATOM 1252 CZ PHE A 81 17.313 7.185 4.841 1.00 54.12 C ATOM 0 H PHE A 81 17.026 8.719 0.927 1.00 53.14 H new ATOM 0 HA PHE A 81 15.338 7.142 -0.906 1.00 51.23 H new ATOM 0 HB2 PHE A 81 14.297 6.229 1.296 1.00 21.55 H new ATOM 0 HB3 PHE A 81 15.761 5.487 0.683 1.00 21.55 H new ATOM 0 HD1 PHE A 81 14.683 8.218 3.006 1.00 25.44 H new ATOM 0 HD2 PHE A 81 17.561 5.201 2.129 1.00 32.04 H new ATOM 0 HE1 PHE A 81 15.802 8.665 5.147 1.00 61.01 H new ATOM 0 HE2 PHE A 81 18.680 5.646 4.270 1.00 63.44 H new ATOM 0 HZ PHE A 81 17.807 7.383 5.781 1.00 54.12 H new ATOM 1262 N SER A 82 13.308 8.495 -0.268 1.00 54.23 N ATOM 1263 CA SER A 82 12.232 9.465 -0.098 1.00 4.33 C ATOM 1264 C SER A 82 11.003 8.810 0.524 1.00 71.21 C ATOM 1265 O SER A 82 10.775 7.611 0.360 1.00 3.03 O ATOM 1266 CB SER A 82 11.864 10.092 -1.444 1.00 3.32 C ATOM 1267 OG SER A 82 10.955 11.166 -1.275 1.00 33.32 O ATOM 0 H SER A 82 13.090 7.731 -0.907 1.00 54.23 H new ATOM 0 HA SER A 82 12.585 10.247 0.574 1.00 4.33 H new ATOM 0 HB2 SER A 82 12.766 10.450 -1.941 1.00 3.32 H new ATOM 0 HB3 SER A 82 11.422 9.336 -2.092 1.00 3.32 H new ATOM 0 HG SER A 82 10.737 11.551 -2.150 1.00 33.32 H new ATOM 1273 N ASP A 83 10.214 9.605 1.238 1.00 54.15 N ATOM 1274 CA ASP A 83 9.006 9.104 1.884 1.00 41.13 C ATOM 1275 C ASP A 83 9.072 7.590 2.060 1.00 42.22 C ATOM 1276 O ASP A 83 8.511 6.838 1.262 1.00 25.15 O ATOM 1277 CB ASP A 83 7.770 9.481 1.066 1.00 42.34 C ATOM 1278 CG ASP A 83 7.542 10.979 1.019 1.00 41.44 C ATOM 1279 OD1 ASP A 83 8.456 11.705 0.575 1.00 63.44 O ATOM 1280 OD2 ASP A 83 6.450 11.427 1.427 1.00 74.33 O ATOM 0 H ASP A 83 10.389 10.599 1.384 1.00 54.15 H new ATOM 0 HA ASP A 83 8.934 9.564 2.870 1.00 41.13 H new ATOM 0 HB2 ASP A 83 7.880 9.101 0.050 1.00 42.34 H new ATOM 0 HB3 ASP A 83 6.893 8.996 1.494 1.00 42.34 H new ATOM 1285 N ILE A 84 9.761 7.151 3.108 1.00 43.24 N ATOM 1286 CA ILE A 84 9.900 5.728 3.388 1.00 64.53 C ATOM 1287 C ILE A 84 9.324 5.377 4.756 1.00 45.55 C ATOM 1288 O ILE A 84 8.859 6.252 5.487 1.00 63.12 O ATOM 1289 CB ILE A 84 11.375 5.285 3.335 1.00 34.13 C ATOM 1290 CG1 ILE A 84 12.185 6.006 4.414 1.00 0.22 C ATOM 1291 CG2 ILE A 84 11.960 5.554 1.957 1.00 72.10 C ATOM 1292 CD1 ILE A 84 13.097 5.089 5.199 1.00 43.52 C ATOM 0 H ILE A 84 10.231 7.761 3.777 1.00 43.24 H new ATOM 0 HA ILE A 84 9.342 5.199 2.615 1.00 64.53 H new ATOM 0 HB ILE A 84 11.424 4.213 3.525 1.00 34.13 H new ATOM 0 HG12 ILE A 84 12.784 6.787 3.946 1.00 0.22 H new ATOM 0 HG13 ILE A 84 11.499 6.500 5.103 1.00 0.22 H new ATOM 0 HG21 ILE A 84 13.002 5.236 1.936 1.00 72.10 H new ATOM 0 HG22 ILE A 84 11.396 4.999 1.208 1.00 72.10 H new ATOM 0 HG23 ILE A 84 11.902 6.620 1.739 1.00 72.10 H new ATOM 0 HD11 ILE A 84 13.640 5.668 5.946 1.00 43.52 H new ATOM 0 HD12 ILE A 84 12.502 4.323 5.696 1.00 43.52 H new ATOM 0 HD13 ILE A 84 13.807 4.615 4.521 1.00 43.52 H new ATOM 1304 N ASP A 85 9.361 4.094 5.095 1.00 35.25 N ATOM 1305 CA ASP A 85 8.845 3.628 6.377 1.00 32.44 C ATOM 1306 C ASP A 85 9.984 3.360 7.356 1.00 13.04 C ATOM 1307 O ASP A 85 11.073 2.951 6.958 1.00 64.51 O ATOM 1308 CB ASP A 85 8.012 2.359 6.185 1.00 1.14 C ATOM 1309 CG ASP A 85 6.791 2.594 5.318 1.00 62.22 C ATOM 1310 OD1 ASP A 85 5.881 3.326 5.760 1.00 72.14 O ATOM 1311 OD2 ASP A 85 6.747 2.046 4.197 1.00 55.13 O ATOM 0 H ASP A 85 9.743 3.358 4.501 1.00 35.25 H new ATOM 0 HA ASP A 85 8.210 4.411 6.791 1.00 32.44 H new ATOM 0 HB2 ASP A 85 8.632 1.586 5.732 1.00 1.14 H new ATOM 0 HB3 ASP A 85 7.696 1.984 7.159 1.00 1.14 H new ATOM 1316 N GLU A 86 9.723 3.596 8.639 1.00 71.54 N ATOM 1317 CA GLU A 86 10.728 3.381 9.674 1.00 55.54 C ATOM 1318 C GLU A 86 11.121 1.909 9.754 1.00 42.35 C ATOM 1319 O GLU A 86 12.237 1.575 10.149 1.00 42.04 O ATOM 1320 CB GLU A 86 10.203 3.855 11.031 1.00 74.23 C ATOM 1321 CG GLU A 86 9.092 2.982 11.592 1.00 42.43 C ATOM 1322 CD GLU A 86 8.177 3.738 12.535 1.00 10.23 C ATOM 1323 OE1 GLU A 86 8.510 4.889 12.890 1.00 63.45 O ATOM 1324 OE2 GLU A 86 7.128 3.180 12.920 1.00 63.13 O ATOM 0 H GLU A 86 8.826 3.935 8.986 1.00 71.54 H new ATOM 0 HA GLU A 86 11.613 3.961 9.412 1.00 55.54 H new ATOM 0 HB2 GLU A 86 11.029 3.880 11.742 1.00 74.23 H new ATOM 0 HB3 GLU A 86 9.836 4.877 10.933 1.00 74.23 H new ATOM 0 HG2 GLU A 86 8.504 2.575 10.769 1.00 42.43 H new ATOM 0 HG3 GLU A 86 9.531 2.135 12.119 1.00 42.43 H new ATOM 1331 N ASN A 87 10.195 1.034 9.376 1.00 61.12 N ATOM 1332 CA ASN A 87 10.444 -0.403 9.406 1.00 41.24 C ATOM 1333 C ASN A 87 11.605 -0.773 8.487 1.00 53.10 C ATOM 1334 O ASN A 87 12.500 -1.524 8.873 1.00 74.21 O ATOM 1335 CB ASN A 87 9.186 -1.168 8.990 1.00 21.22 C ATOM 1336 CG ASN A 87 9.237 -2.628 9.396 1.00 65.51 C ATOM 1337 OD1 ASN A 87 10.209 -3.083 10.000 1.00 3.40 O ATOM 1338 ND2 ASN A 87 8.188 -3.372 9.064 1.00 1.34 N ATOM 0 H ASN A 87 9.266 1.294 9.045 1.00 61.12 H new ATOM 0 HA ASN A 87 10.709 -0.680 10.426 1.00 41.24 H new ATOM 0 HB2 ASN A 87 8.312 -0.698 9.442 1.00 21.22 H new ATOM 0 HB3 ASN A 87 9.062 -1.098 7.909 1.00 21.22 H new ATOM 0 HD21 ASN A 87 8.167 -4.362 9.310 1.00 1.34 H new ATOM 0 HD22 ASN A 87 7.404 -2.954 8.563 1.00 1.34 H new ATOM 1345 N MET A 88 11.582 -0.239 7.270 1.00 23.30 N ATOM 1346 CA MET A 88 12.634 -0.512 6.297 1.00 73.01 C ATOM 1347 C MET A 88 13.885 0.305 6.605 1.00 74.32 C ATOM 1348 O MET A 88 15.006 -0.140 6.357 1.00 33.15 O ATOM 1349 CB MET A 88 12.142 -0.200 4.882 1.00 21.11 C ATOM 1350 CG MET A 88 11.612 1.215 4.721 1.00 10.53 C ATOM 1351 SD MET A 88 11.135 1.590 3.023 1.00 30.22 S ATOM 1352 CE MET A 88 10.204 0.119 2.601 1.00 20.01 C ATOM 0 H MET A 88 10.848 0.384 6.934 1.00 23.30 H new ATOM 0 HA MET A 88 12.888 -1.570 6.361 1.00 73.01 H new ATOM 0 HB2 MET A 88 12.961 -0.355 4.179 1.00 21.11 H new ATOM 0 HB3 MET A 88 11.356 -0.906 4.616 1.00 21.11 H new ATOM 0 HG2 MET A 88 10.751 1.353 5.375 1.00 10.53 H new ATOM 0 HG3 MET A 88 12.375 1.923 5.045 1.00 10.53 H new ATOM 0 HE1 MET A 88 10.826 -0.546 2.002 1.00 20.01 H new ATOM 0 HE2 MET A 88 9.899 -0.393 3.514 1.00 20.01 H new ATOM 0 HE3 MET A 88 9.319 0.400 2.030 1.00 20.01 H new ATOM 1362 N LYS A 89 13.686 1.502 7.146 1.00 52.04 N ATOM 1363 CA LYS A 89 14.797 2.381 7.489 1.00 41.45 C ATOM 1364 C LYS A 89 15.835 1.644 8.330 1.00 55.44 C ATOM 1365 O LYS A 89 17.039 1.832 8.153 1.00 34.35 O ATOM 1366 CB LYS A 89 14.288 3.609 8.248 1.00 71.42 C ATOM 1367 CG LYS A 89 15.229 4.799 8.181 1.00 71.01 C ATOM 1368 CD LYS A 89 14.901 5.829 9.248 1.00 3.54 C ATOM 1369 CE LYS A 89 13.685 6.660 8.867 1.00 21.43 C ATOM 1370 NZ LYS A 89 13.502 7.825 9.776 1.00 1.01 N ATOM 0 H LYS A 89 12.765 1.886 7.356 1.00 52.04 H new ATOM 0 HA LYS A 89 15.270 2.705 6.562 1.00 41.45 H new ATOM 0 HB2 LYS A 89 13.319 3.900 7.843 1.00 71.42 H new ATOM 0 HB3 LYS A 89 14.130 3.340 9.292 1.00 71.42 H new ATOM 0 HG2 LYS A 89 16.257 4.459 8.306 1.00 71.01 H new ATOM 0 HG3 LYS A 89 15.164 5.261 7.196 1.00 71.01 H new ATOM 0 HD2 LYS A 89 14.716 5.325 10.197 1.00 3.54 H new ATOM 0 HD3 LYS A 89 15.759 6.485 9.398 1.00 3.54 H new ATOM 0 HE2 LYS A 89 13.793 7.013 7.842 1.00 21.43 H new ATOM 0 HE3 LYS A 89 12.794 6.033 8.896 1.00 21.43 H new ATOM 0 HZ1 LYS A 89 12.663 8.366 9.483 1.00 1.01 H new ATOM 0 HZ2 LYS A 89 13.373 7.488 10.751 1.00 1.01 H new ATOM 0 HZ3 LYS A 89 14.342 8.437 9.730 1.00 1.01 H new ATOM 1384 N LYS A 90 15.360 0.805 9.243 1.00 22.45 N ATOM 1385 CA LYS A 90 16.246 0.037 10.110 1.00 31.45 C ATOM 1386 C LYS A 90 17.198 -0.827 9.289 1.00 55.24 C ATOM 1387 O LYS A 90 18.368 -0.983 9.637 1.00 50.21 O ATOM 1388 CB LYS A 90 15.428 -0.846 11.057 1.00 42.45 C ATOM 1389 CG LYS A 90 14.852 -2.083 10.389 1.00 3.52 C ATOM 1390 CD LYS A 90 15.792 -3.270 10.511 1.00 61.33 C ATOM 1391 CE LYS A 90 15.025 -4.574 10.667 1.00 31.41 C ATOM 1392 NZ LYS A 90 14.286 -4.632 11.959 1.00 41.32 N ATOM 0 H LYS A 90 14.366 0.639 9.402 1.00 22.45 H new ATOM 0 HA LYS A 90 16.837 0.740 10.697 1.00 31.45 H new ATOM 0 HB2 LYS A 90 16.060 -1.154 11.890 1.00 42.45 H new ATOM 0 HB3 LYS A 90 14.613 -0.257 11.476 1.00 42.45 H new ATOM 0 HG2 LYS A 90 13.892 -2.329 10.843 1.00 3.52 H new ATOM 0 HG3 LYS A 90 14.662 -1.874 9.336 1.00 3.52 H new ATOM 0 HD2 LYS A 90 16.428 -3.324 9.627 1.00 61.33 H new ATOM 0 HD3 LYS A 90 16.449 -3.128 11.369 1.00 61.33 H new ATOM 0 HE2 LYS A 90 14.322 -4.683 9.841 1.00 31.41 H new ATOM 0 HE3 LYS A 90 15.719 -5.413 10.607 1.00 31.41 H new ATOM 0 HZ1 LYS A 90 14.138 -5.625 12.230 1.00 41.32 H new ATOM 0 HZ2 LYS A 90 14.838 -4.150 12.697 1.00 41.32 H new ATOM 0 HZ3 LYS A 90 13.365 -4.161 11.853 1.00 41.32 H new ATOM 1406 N VAL A 91 16.688 -1.385 8.195 1.00 30.00 N ATOM 1407 CA VAL A 91 17.493 -2.231 7.322 1.00 44.50 C ATOM 1408 C VAL A 91 18.495 -1.402 6.526 1.00 4.20 C ATOM 1409 O VAL A 91 19.619 -1.839 6.277 1.00 22.42 O ATOM 1410 CB VAL A 91 16.611 -3.028 6.343 1.00 22.23 C ATOM 1411 CG1 VAL A 91 15.221 -3.234 6.924 1.00 33.52 C ATOM 1412 CG2 VAL A 91 16.537 -2.323 4.998 1.00 54.53 C ATOM 0 H VAL A 91 15.721 -1.266 7.893 1.00 30.00 H new ATOM 0 HA VAL A 91 18.031 -2.928 7.965 1.00 44.50 H new ATOM 0 HB VAL A 91 17.063 -4.008 6.189 1.00 22.23 H new ATOM 0 HG11 VAL A 91 14.612 -3.799 6.218 1.00 33.52 H new ATOM 0 HG12 VAL A 91 15.296 -3.786 7.861 1.00 33.52 H new ATOM 0 HG13 VAL A 91 14.757 -2.265 7.109 1.00 33.52 H new ATOM 0 HG21 VAL A 91 15.910 -2.900 4.319 1.00 54.53 H new ATOM 0 HG22 VAL A 91 16.109 -1.329 5.131 1.00 54.53 H new ATOM 0 HG23 VAL A 91 17.539 -2.233 4.579 1.00 54.53 H new ATOM 1422 N ILE A 92 18.081 -0.203 6.130 1.00 60.22 N ATOM 1423 CA ILE A 92 18.943 0.688 5.363 1.00 22.32 C ATOM 1424 C ILE A 92 20.109 1.187 6.210 1.00 50.32 C ATOM 1425 O ILE A 92 21.260 1.175 5.772 1.00 75.44 O ATOM 1426 CB ILE A 92 18.161 1.899 4.821 1.00 63.43 C ATOM 1427 CG1 ILE A 92 16.804 1.453 4.273 1.00 51.10 C ATOM 1428 CG2 ILE A 92 18.966 2.609 3.743 1.00 43.03 C ATOM 1429 CD1 ILE A 92 16.095 2.523 3.473 1.00 73.25 C ATOM 0 H ILE A 92 17.154 0.174 6.328 1.00 60.22 H new ATOM 0 HA ILE A 92 19.328 0.110 4.523 1.00 22.32 H new ATOM 0 HB ILE A 92 17.989 2.598 5.639 1.00 63.43 H new ATOM 0 HG12 ILE A 92 16.946 0.574 3.644 1.00 51.10 H new ATOM 0 HG13 ILE A 92 16.167 1.150 5.104 1.00 51.10 H new ATOM 0 HG21 ILE A 92 18.400 3.463 3.369 1.00 43.03 H new ATOM 0 HG22 ILE A 92 19.911 2.955 4.163 1.00 43.03 H new ATOM 0 HG23 ILE A 92 19.165 1.919 2.923 1.00 43.03 H new ATOM 0 HD11 ILE A 92 15.140 2.137 3.116 1.00 73.25 H new ATOM 0 HD12 ILE A 92 15.921 3.394 4.105 1.00 73.25 H new ATOM 0 HD13 ILE A 92 16.712 2.810 2.621 1.00 73.25 H new ATOM 1441 N LYS A 93 19.804 1.626 7.426 1.00 22.14 N ATOM 1442 CA LYS A 93 20.826 2.127 8.338 1.00 50.43 C ATOM 1443 C LYS A 93 21.786 1.014 8.745 1.00 35.21 C ATOM 1444 O LYS A 93 22.998 1.217 8.803 1.00 32.14 O ATOM 1445 CB LYS A 93 20.175 2.735 9.582 1.00 32.34 C ATOM 1446 CG LYS A 93 19.339 1.745 10.376 1.00 51.43 C ATOM 1447 CD LYS A 93 18.610 2.425 11.523 1.00 73.04 C ATOM 1448 CE LYS A 93 17.600 3.443 11.016 1.00 74.13 C ATOM 1449 NZ LYS A 93 18.143 4.829 11.052 1.00 32.13 N ATOM 0 H LYS A 93 18.857 1.645 7.803 1.00 22.14 H new ATOM 0 HA LYS A 93 21.394 2.899 7.819 1.00 50.43 H new ATOM 0 HB2 LYS A 93 20.954 3.141 10.228 1.00 32.34 H new ATOM 0 HB3 LYS A 93 19.544 3.571 9.280 1.00 32.34 H new ATOM 0 HG2 LYS A 93 18.615 1.267 9.716 1.00 51.43 H new ATOM 0 HG3 LYS A 93 19.982 0.957 10.768 1.00 51.43 H new ATOM 0 HD2 LYS A 93 18.100 1.675 12.127 1.00 73.04 H new ATOM 0 HD3 LYS A 93 19.332 2.920 12.172 1.00 73.04 H new ATOM 0 HE2 LYS A 93 17.313 3.192 9.995 1.00 74.13 H new ATOM 0 HE3 LYS A 93 16.696 3.391 11.623 1.00 74.13 H new ATOM 0 HZ1 LYS A 93 17.693 5.358 11.826 1.00 32.13 H new ATOM 0 HZ2 LYS A 93 19.171 4.795 11.208 1.00 32.13 H new ATOM 0 HZ3 LYS A 93 17.945 5.303 10.148 1.00 32.13 H new ATOM 1463 N ALA A 94 21.235 -0.163 9.025 1.00 53.15 N ATOM 1464 CA ALA A 94 22.042 -1.309 9.423 1.00 64.13 C ATOM 1465 C ALA A 94 22.989 -1.729 8.303 1.00 32.23 C ATOM 1466 O ALA A 94 24.140 -2.089 8.551 1.00 23.02 O ATOM 1467 CB ALA A 94 21.147 -2.472 9.824 1.00 71.14 C ATOM 0 H ALA A 94 20.233 -0.347 8.983 1.00 53.15 H new ATOM 0 HA ALA A 94 22.645 -1.016 10.283 1.00 64.13 H new ATOM 0 HB1 ALA A 94 21.764 -3.321 10.119 1.00 71.14 H new ATOM 0 HB2 ALA A 94 20.516 -2.174 10.661 1.00 71.14 H new ATOM 0 HB3 ALA A 94 20.519 -2.756 8.980 1.00 71.14 H new ATOM 1473 N THR A 95 22.496 -1.682 7.069 1.00 24.22 N ATOM 1474 CA THR A 95 23.298 -2.060 5.912 1.00 54.42 C ATOM 1475 C THR A 95 24.413 -1.051 5.663 1.00 62.22 C ATOM 1476 O THR A 95 25.556 -1.427 5.403 1.00 72.00 O ATOM 1477 CB THR A 95 22.432 -2.174 4.643 1.00 60.33 C ATOM 1478 OG1 THR A 95 21.373 -3.115 4.855 1.00 1.52 O ATOM 1479 CG2 THR A 95 23.273 -2.610 3.452 1.00 15.00 C ATOM 0 H THR A 95 21.546 -1.386 6.845 1.00 24.22 H new ATOM 0 HA THR A 95 23.735 -3.033 6.134 1.00 54.42 H new ATOM 0 HB THR A 95 22.008 -1.193 4.430 1.00 60.33 H new ATOM 0 HG1 THR A 95 20.764 -2.773 5.542 1.00 1.52 H new ATOM 0 HG21 THR A 95 22.640 -2.684 2.567 1.00 15.00 H new ATOM 0 HG22 THR A 95 24.060 -1.877 3.275 1.00 15.00 H new ATOM 0 HG23 THR A 95 23.721 -3.582 3.659 1.00 15.00 H new ATOM 1487 N ALA A 96 24.074 0.231 5.745 1.00 44.34 N ATOM 1488 CA ALA A 96 25.049 1.294 5.531 1.00 52.03 C ATOM 1489 C ALA A 96 26.121 1.282 6.615 1.00 64.33 C ATOM 1490 O ALA A 96 27.314 1.345 6.320 1.00 3.41 O ATOM 1491 CB ALA A 96 24.354 2.647 5.489 1.00 72.23 C ATOM 0 H ALA A 96 23.132 0.559 5.958 1.00 44.34 H new ATOM 0 HA ALA A 96 25.537 1.118 4.572 1.00 52.03 H new ATOM 0 HB1 ALA A 96 25.094 3.431 5.329 1.00 72.23 H new ATOM 0 HB2 ALA A 96 23.630 2.659 4.674 1.00 72.23 H new ATOM 0 HB3 ALA A 96 23.840 2.821 6.434 1.00 72.23 H new ATOM 1497 N GLU A 97 25.688 1.200 7.869 1.00 70.02 N ATOM 1498 CA GLU A 97 26.613 1.181 8.996 1.00 14.11 C ATOM 1499 C GLU A 97 27.472 -0.079 8.974 1.00 64.45 C ATOM 1500 O GLU A 97 28.631 -0.062 9.389 1.00 21.45 O ATOM 1501 CB GLU A 97 25.844 1.264 10.316 1.00 33.44 C ATOM 1502 CG GLU A 97 25.318 -0.078 10.799 1.00 12.44 C ATOM 1503 CD GLU A 97 26.336 -0.840 11.625 1.00 73.42 C ATOM 1504 OE1 GLU A 97 27.030 -0.206 12.447 1.00 55.05 O ATOM 1505 OE2 GLU A 97 26.438 -2.073 11.449 1.00 52.33 O ATOM 0 H GLU A 97 24.703 1.146 8.130 1.00 70.02 H new ATOM 0 HA GLU A 97 27.268 2.048 8.910 1.00 14.11 H new ATOM 0 HB2 GLU A 97 26.496 1.686 11.081 1.00 33.44 H new ATOM 0 HB3 GLU A 97 25.007 1.951 10.196 1.00 33.44 H new ATOM 0 HG2 GLU A 97 24.419 0.081 11.394 1.00 12.44 H new ATOM 0 HG3 GLU A 97 25.028 -0.682 9.939 1.00 12.44 H new ATOM 1512 N LYS A 98 26.896 -1.173 8.485 1.00 3.42 N ATOM 1513 CA LYS A 98 27.608 -2.443 8.407 1.00 53.04 C ATOM 1514 C LYS A 98 28.862 -2.312 7.549 1.00 4.23 C ATOM 1515 O LYS A 98 29.903 -2.892 7.861 1.00 74.22 O ATOM 1516 CB LYS A 98 26.695 -3.528 7.831 1.00 54.44 C ATOM 1517 CG LYS A 98 26.071 -4.422 8.888 1.00 71.22 C ATOM 1518 CD LYS A 98 27.126 -5.220 9.637 1.00 54.55 C ATOM 1519 CE LYS A 98 26.517 -6.418 10.348 1.00 22.22 C ATOM 1520 NZ LYS A 98 27.559 -7.279 10.973 1.00 32.54 N ATOM 0 H LYS A 98 25.938 -1.205 8.137 1.00 3.42 H new ATOM 0 HA LYS A 98 27.907 -2.726 9.416 1.00 53.04 H new ATOM 0 HB2 LYS A 98 25.901 -3.054 7.253 1.00 54.44 H new ATOM 0 HB3 LYS A 98 27.269 -4.144 7.139 1.00 54.44 H new ATOM 0 HG2 LYS A 98 25.505 -3.813 9.593 1.00 71.22 H new ATOM 0 HG3 LYS A 98 25.363 -5.104 8.417 1.00 71.22 H new ATOM 0 HD2 LYS A 98 27.891 -5.560 8.939 1.00 54.55 H new ATOM 0 HD3 LYS A 98 27.622 -4.577 10.364 1.00 54.55 H new ATOM 0 HE2 LYS A 98 25.824 -6.072 11.115 1.00 22.22 H new ATOM 0 HE3 LYS A 98 25.938 -7.007 9.637 1.00 22.22 H new ATOM 0 HZ1 LYS A 98 27.104 -8.085 11.448 1.00 32.54 H new ATOM 0 HZ2 LYS A 98 28.206 -7.630 10.238 1.00 32.54 H new ATOM 0 HZ3 LYS A 98 28.095 -6.724 11.670 1.00 32.54 H new ATOM 1534 N PHE A 99 28.758 -1.545 6.469 1.00 0.32 N ATOM 1535 CA PHE A 99 29.885 -1.337 5.567 1.00 32.11 C ATOM 1536 C PHE A 99 31.038 -0.644 6.288 1.00 72.43 C ATOM 1537 O PHE A 99 32.208 -0.895 5.996 1.00 14.33 O ATOM 1538 CB PHE A 99 29.451 -0.506 4.358 1.00 1.41 C ATOM 1539 CG PHE A 99 28.967 -1.335 3.203 1.00 13.41 C ATOM 1540 CD1 PHE A 99 29.830 -2.189 2.536 1.00 0.03 C ATOM 1541 CD2 PHE A 99 27.648 -1.260 2.785 1.00 60.14 C ATOM 1542 CE1 PHE A 99 29.387 -2.952 1.473 1.00 71.33 C ATOM 1543 CE2 PHE A 99 27.199 -2.021 1.722 1.00 60.32 C ATOM 1544 CZ PHE A 99 28.070 -2.869 1.066 1.00 74.32 C ATOM 0 H PHE A 99 27.905 -1.057 6.197 1.00 0.32 H new ATOM 0 HA PHE A 99 30.229 -2.313 5.224 1.00 32.11 H new ATOM 0 HB2 PHE A 99 28.658 0.177 4.662 1.00 1.41 H new ATOM 0 HB3 PHE A 99 30.290 0.107 4.029 1.00 1.41 H new ATOM 0 HD1 PHE A 99 30.861 -2.259 2.851 1.00 0.03 H new ATOM 0 HD2 PHE A 99 26.963 -0.599 3.296 1.00 60.14 H new ATOM 0 HE1 PHE A 99 30.070 -3.613 0.961 1.00 71.33 H new ATOM 0 HE2 PHE A 99 26.169 -1.953 1.405 1.00 60.32 H new ATOM 0 HZ PHE A 99 27.722 -3.466 0.236 1.00 74.32 H new ATOM 1554 N LYS A 100 30.699 0.229 7.230 1.00 22.33 N ATOM 1555 CA LYS A 100 31.704 0.958 7.994 1.00 11.55 C ATOM 1556 C LYS A 100 32.577 0.001 8.800 1.00 74.04 C ATOM 1557 O LYS A 100 33.749 0.277 9.050 1.00 70.30 O ATOM 1558 CB LYS A 100 31.031 1.963 8.932 1.00 13.04 C ATOM 1559 CG LYS A 100 31.980 3.015 9.480 1.00 61.24 C ATOM 1560 CD LYS A 100 31.252 4.309 9.802 1.00 43.33 C ATOM 1561 CE LYS A 100 31.728 5.451 8.917 1.00 3.30 C ATOM 1562 NZ LYS A 100 31.728 6.752 9.642 1.00 15.00 N ATOM 0 H LYS A 100 29.736 0.449 7.483 1.00 22.33 H new ATOM 0 HA LYS A 100 32.339 1.495 7.290 1.00 11.55 H new ATOM 0 HB2 LYS A 100 30.221 2.460 8.398 1.00 13.04 H new ATOM 0 HB3 LYS A 100 30.580 1.424 9.765 1.00 13.04 H new ATOM 0 HG2 LYS A 100 32.465 2.636 10.380 1.00 61.24 H new ATOM 0 HG3 LYS A 100 32.767 3.211 8.752 1.00 61.24 H new ATOM 0 HD2 LYS A 100 30.179 4.167 9.669 1.00 43.33 H new ATOM 0 HD3 LYS A 100 31.412 4.567 10.849 1.00 43.33 H new ATOM 0 HE2 LYS A 100 32.734 5.236 8.557 1.00 3.30 H new ATOM 0 HE3 LYS A 100 31.084 5.524 8.040 1.00 3.30 H new ATOM 0 HZ1 LYS A 100 32.059 7.505 9.005 1.00 15.00 H new ATOM 0 HZ2 LYS A 100 30.763 6.970 9.964 1.00 15.00 H new ATOM 0 HZ3 LYS A 100 32.362 6.691 10.464 1.00 15.00 H new ATOM 1576 N ASN A 101 31.997 -1.126 9.201 1.00 14.50 N ATOM 1577 CA ASN A 101 32.722 -2.124 9.977 1.00 25.42 C ATOM 1578 C ASN A 101 33.877 -2.708 9.168 1.00 32.33 C ATOM 1579 O ASN A 101 34.785 -3.329 9.721 1.00 45.13 O ATOM 1580 CB ASN A 101 31.777 -3.243 10.419 1.00 70.45 C ATOM 1581 CG ASN A 101 30.633 -2.731 11.271 1.00 15.32 C ATOM 1582 OD1 ASN A 101 30.556 -1.540 11.576 1.00 32.41 O ATOM 1583 ND2 ASN A 101 29.736 -3.630 11.661 1.00 42.32 N ATOM 0 H ASN A 101 31.027 -1.370 9.001 1.00 14.50 H new ATOM 0 HA ASN A 101 33.131 -1.634 10.860 1.00 25.42 H new ATOM 0 HB2 ASN A 101 31.375 -3.744 9.538 1.00 70.45 H new ATOM 0 HB3 ASN A 101 32.339 -3.989 10.981 1.00 70.45 H new ATOM 0 HD21 ASN A 101 28.944 -3.344 12.237 1.00 42.32 H new ATOM 0 HD22 ASN A 101 29.839 -4.606 11.385 1.00 42.32 H new ATOM 1590 N LYS A 102 33.835 -2.505 7.856 1.00 10.40 N ATOM 1591 CA LYS A 102 34.877 -3.008 6.969 1.00 23.25 C ATOM 1592 C LYS A 102 35.831 -1.890 6.561 1.00 24.33 C ATOM 1593 O LYS A 102 36.818 -2.126 5.866 1.00 61.34 O ATOM 1594 CB LYS A 102 34.254 -3.641 5.723 1.00 32.25 C ATOM 1595 CG LYS A 102 35.155 -4.656 5.041 1.00 51.42 C ATOM 1596 CD LYS A 102 35.329 -5.906 5.887 1.00 11.51 C ATOM 1597 CE LYS A 102 36.233 -6.920 5.204 1.00 50.03 C ATOM 1598 NZ LYS A 102 36.862 -7.850 6.182 1.00 73.31 N ATOM 0 H LYS A 102 33.089 -1.995 7.383 1.00 10.40 H new ATOM 0 HA LYS A 102 35.444 -3.766 7.509 1.00 23.25 H new ATOM 0 HB2 LYS A 102 33.319 -4.127 6.002 1.00 32.25 H new ATOM 0 HB3 LYS A 102 34.004 -2.854 5.012 1.00 32.25 H new ATOM 0 HG2 LYS A 102 34.732 -4.927 4.073 1.00 51.42 H new ATOM 0 HG3 LYS A 102 36.130 -4.207 4.849 1.00 51.42 H new ATOM 0 HD2 LYS A 102 35.750 -5.636 6.855 1.00 11.51 H new ATOM 0 HD3 LYS A 102 34.355 -6.356 6.078 1.00 11.51 H new ATOM 0 HE2 LYS A 102 35.654 -7.492 4.479 1.00 50.03 H new ATOM 0 HE3 LYS A 102 37.011 -6.397 4.648 1.00 50.03 H new ATOM 0 HZ1 LYS A 102 37.470 -8.525 5.677 1.00 73.31 H new ATOM 0 HZ2 LYS A 102 37.435 -7.307 6.859 1.00 73.31 H new ATOM 0 HZ3 LYS A 102 36.120 -8.368 6.695 1.00 73.31 H new ATOM 1612 N GLY A 103 35.531 -0.672 7.000 1.00 13.34 N ATOM 1613 CA GLY A 103 36.372 0.464 6.672 1.00 63.14 C ATOM 1614 C GLY A 103 35.821 1.280 5.519 1.00 31.22 C ATOM 1615 O GLY A 103 36.414 1.325 4.441 1.00 20.22 O ATOM 0 H GLY A 103 34.720 -0.451 7.578 1.00 13.34 H new ATOM 0 HA2 GLY A 103 36.473 1.103 7.549 1.00 63.14 H new ATOM 0 HA3 GLY A 103 37.371 0.111 6.418 1.00 63.14 H new ATOM 1619 N PHE A 104 34.682 1.926 5.745 1.00 33.52 N ATOM 1620 CA PHE A 104 34.048 2.742 4.716 1.00 24.30 C ATOM 1621 C PHE A 104 33.240 3.874 5.341 1.00 14.54 C ATOM 1622 O PHE A 104 32.932 3.849 6.533 1.00 34.22 O ATOM 1623 CB PHE A 104 33.142 1.878 3.836 1.00 0.13 C ATOM 1624 CG PHE A 104 33.895 0.921 2.957 1.00 2.21 C ATOM 1625 CD1 PHE A 104 34.242 -0.338 3.419 1.00 75.51 C ATOM 1626 CD2 PHE A 104 34.256 1.281 1.669 1.00 64.02 C ATOM 1627 CE1 PHE A 104 34.935 -1.221 2.612 1.00 2.52 C ATOM 1628 CE2 PHE A 104 34.950 0.403 0.857 1.00 31.12 C ATOM 1629 CZ PHE A 104 35.289 -0.850 1.329 1.00 12.14 C ATOM 0 H PHE A 104 34.179 1.900 6.632 1.00 33.52 H new ATOM 0 HA PHE A 104 34.833 3.178 4.098 1.00 24.30 H new ATOM 0 HB2 PHE A 104 32.461 1.314 4.473 1.00 0.13 H new ATOM 0 HB3 PHE A 104 32.530 2.528 3.211 1.00 0.13 H new ATOM 0 HD1 PHE A 104 33.968 -0.633 4.421 1.00 75.51 H new ATOM 0 HD2 PHE A 104 33.992 2.259 1.295 1.00 64.02 H new ATOM 0 HE1 PHE A 104 35.199 -2.200 2.984 1.00 2.52 H new ATOM 0 HE2 PHE A 104 35.227 0.697 -0.145 1.00 31.12 H new ATOM 0 HZ PHE A 104 35.830 -1.538 0.696 1.00 12.14 H new ATOM 1639 N LYS A 105 32.899 4.869 4.529 1.00 72.24 N ATOM 1640 CA LYS A 105 32.125 6.012 4.999 1.00 24.43 C ATOM 1641 C LYS A 105 30.634 5.793 4.765 1.00 41.33 C ATOM 1642 O LYS A 105 30.229 5.274 3.725 1.00 74.12 O ATOM 1643 CB LYS A 105 32.582 7.289 4.291 1.00 2.23 C ATOM 1644 CG LYS A 105 31.880 8.542 4.785 1.00 52.34 C ATOM 1645 CD LYS A 105 32.184 8.813 6.249 1.00 65.35 C ATOM 1646 CE LYS A 105 31.941 10.270 6.609 1.00 54.24 C ATOM 1647 NZ LYS A 105 32.508 10.615 7.942 1.00 71.44 N ATOM 0 H LYS A 105 33.147 4.907 3.540 1.00 72.24 H new ATOM 0 HA LYS A 105 32.294 6.118 6.071 1.00 24.43 H new ATOM 0 HB2 LYS A 105 33.657 7.406 4.429 1.00 2.23 H new ATOM 0 HB3 LYS A 105 32.408 7.183 3.220 1.00 2.23 H new ATOM 0 HG2 LYS A 105 32.192 9.396 4.184 1.00 52.34 H new ATOM 0 HG3 LYS A 105 30.804 8.434 4.650 1.00 52.34 H new ATOM 0 HD2 LYS A 105 31.561 8.174 6.875 1.00 65.35 H new ATOM 0 HD3 LYS A 105 33.221 8.553 6.460 1.00 65.35 H new ATOM 0 HE2 LYS A 105 32.386 10.911 5.848 1.00 54.24 H new ATOM 0 HE3 LYS A 105 30.870 10.470 6.607 1.00 54.24 H new ATOM 0 HZ1 LYS A 105 32.321 11.617 8.150 1.00 71.44 H new ATOM 0 HZ2 LYS A 105 32.065 10.021 8.672 1.00 71.44 H new ATOM 0 HZ3 LYS A 105 33.535 10.448 7.936 1.00 71.44 H new ATOM 1661 N VAL A 106 29.822 6.194 5.737 1.00 14.42 N ATOM 1662 CA VAL A 106 28.375 6.045 5.635 1.00 31.11 C ATOM 1663 C VAL A 106 27.681 7.403 5.625 1.00 24.55 C ATOM 1664 O VAL A 106 27.892 8.224 6.517 1.00 22.00 O ATOM 1665 CB VAL A 106 27.814 5.203 6.796 1.00 23.35 C ATOM 1666 CG1 VAL A 106 26.348 4.875 6.560 1.00 51.23 C ATOM 1667 CG2 VAL A 106 28.631 3.932 6.975 1.00 71.42 C ATOM 0 H VAL A 106 30.141 6.625 6.605 1.00 14.42 H new ATOM 0 HA VAL A 106 28.176 5.532 4.694 1.00 31.11 H new ATOM 0 HB VAL A 106 27.887 5.787 7.713 1.00 23.35 H new ATOM 0 HG11 VAL A 106 25.970 4.280 7.391 1.00 51.23 H new ATOM 0 HG12 VAL A 106 25.776 5.800 6.486 1.00 51.23 H new ATOM 0 HG13 VAL A 106 26.246 4.310 5.633 1.00 51.23 H new ATOM 0 HG21 VAL A 106 28.221 3.349 7.800 1.00 71.42 H new ATOM 0 HG22 VAL A 106 28.592 3.342 6.059 1.00 71.42 H new ATOM 0 HG23 VAL A 106 29.666 4.193 7.195 1.00 71.42 H new ATOM 1677 N GLU A 107 26.853 7.631 4.611 1.00 31.41 N ATOM 1678 CA GLU A 107 26.128 8.890 4.486 1.00 63.22 C ATOM 1679 C GLU A 107 24.640 8.641 4.257 1.00 64.25 C ATOM 1680 O GLU A 107 24.256 7.693 3.571 1.00 35.44 O ATOM 1681 CB GLU A 107 26.701 9.721 3.336 1.00 73.03 C ATOM 1682 CG GLU A 107 25.942 11.013 3.082 1.00 4.02 C ATOM 1683 CD GLU A 107 26.419 11.734 1.836 1.00 11.44 C ATOM 1684 OE1 GLU A 107 27.620 12.066 1.765 1.00 4.54 O ATOM 1685 OE2 GLU A 107 25.589 11.966 0.932 1.00 2.42 O ATOM 0 H GLU A 107 26.667 6.961 3.865 1.00 31.41 H new ATOM 0 HA GLU A 107 26.246 9.442 5.418 1.00 63.22 H new ATOM 0 HB2 GLU A 107 27.742 9.958 3.554 1.00 73.03 H new ATOM 0 HB3 GLU A 107 26.694 9.121 2.426 1.00 73.03 H new ATOM 0 HG2 GLU A 107 24.879 10.793 2.985 1.00 4.02 H new ATOM 0 HG3 GLU A 107 26.054 11.671 3.944 1.00 4.02 H new ATOM 1692 N THR A 108 23.806 9.499 4.836 1.00 45.35 N ATOM 1693 CA THR A 108 22.361 9.373 4.697 1.00 62.33 C ATOM 1694 C THR A 108 21.762 10.610 4.038 1.00 33.11 C ATOM 1695 O THR A 108 22.133 11.738 4.361 1.00 10.32 O ATOM 1696 CB THR A 108 21.683 9.152 6.062 1.00 10.20 C ATOM 1697 OG1 THR A 108 21.760 10.348 6.846 1.00 12.00 O ATOM 1698 CG2 THR A 108 22.340 8.004 6.813 1.00 13.14 C ATOM 0 H THR A 108 24.107 10.289 5.406 1.00 45.35 H new ATOM 0 HA THR A 108 22.179 8.504 4.064 1.00 62.33 H new ATOM 0 HB THR A 108 20.637 8.899 5.887 1.00 10.20 H new ATOM 0 HG1 THR A 108 21.325 10.200 7.712 1.00 12.00 H new ATOM 0 HG21 THR A 108 21.844 7.867 7.774 1.00 13.14 H new ATOM 0 HG22 THR A 108 22.254 7.089 6.227 1.00 13.14 H new ATOM 0 HG23 THR A 108 23.393 8.232 6.977 1.00 13.14 H new ATOM 1706 N ASP A 109 20.833 10.391 3.114 1.00 33.22 N ATOM 1707 CA ASP A 109 20.180 11.489 2.411 1.00 71.01 C ATOM 1708 C ASP A 109 18.666 11.301 2.396 1.00 41.10 C ATOM 1709 O ASP A 109 18.169 10.210 2.120 1.00 21.43 O ATOM 1710 CB ASP A 109 20.708 11.591 0.979 1.00 13.31 C ATOM 1711 CG ASP A 109 20.728 13.019 0.470 1.00 4.34 C ATOM 1712 OD1 ASP A 109 21.362 13.874 1.125 1.00 33.23 O ATOM 1713 OD2 ASP A 109 20.112 13.282 -0.583 1.00 41.42 O ATOM 0 H ASP A 109 20.515 9.463 2.834 1.00 33.22 H new ATOM 0 HA ASP A 109 20.408 12.414 2.941 1.00 71.01 H new ATOM 0 HB2 ASP A 109 21.716 11.179 0.936 1.00 13.31 H new ATOM 0 HB3 ASP A 109 20.087 10.983 0.322 1.00 13.31 H new ATOM 1718 N MET A 110 17.939 12.373 2.695 1.00 30.44 N ATOM 1719 CA MET A 110 16.482 12.325 2.716 1.00 14.21 C ATOM 1720 C MET A 110 15.889 13.482 1.917 1.00 34.44 C ATOM 1721 O MET A 110 16.617 14.273 1.317 1.00 11.03 O ATOM 1722 CB MET A 110 15.969 12.369 4.157 1.00 50.31 C ATOM 1723 CG MET A 110 16.352 13.639 4.900 1.00 65.13 C ATOM 1724 SD MET A 110 15.234 14.010 6.265 1.00 63.43 S ATOM 1725 CE MET A 110 14.956 15.760 6.009 1.00 40.34 C ATOM 0 H MET A 110 18.335 13.284 2.926 1.00 30.44 H new ATOM 0 HA MET A 110 16.167 11.389 2.255 1.00 14.21 H new ATOM 0 HB2 MET A 110 14.883 12.275 4.150 1.00 50.31 H new ATOM 0 HB3 MET A 110 16.360 11.508 4.700 1.00 50.31 H new ATOM 0 HG2 MET A 110 17.367 13.538 5.284 1.00 65.13 H new ATOM 0 HG3 MET A 110 16.357 14.476 4.202 1.00 65.13 H new ATOM 0 HE1 MET A 110 14.281 16.137 6.777 1.00 40.34 H new ATOM 0 HE2 MET A 110 15.906 16.292 6.067 1.00 40.34 H new ATOM 0 HE3 MET A 110 14.511 15.918 5.026 1.00 40.34 H new TER 1735 MET A 110