USER MOD reduce.3.24.130724 H: found=0, std=0, add=1192, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1192 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 123 LYS NZ :NH3+ -148:sc= 2.11 (180deg=-1.04) USER MOD Set 1.2: A 145 THR OG1 : rot -160:sc= 0.885 USER MOD Set 2.1: A 104 LYS NZ :NH3+ -150:sc= 0.217 (180deg=0) USER MOD Set 2.2: A 108 SER OG : rot 77:sc= 1.52 USER MOD Set 3.1: A 93 SER OG : rot 30:sc= 0.625 USER MOD Set 3.2: A 95 CYS SG : rot -152:sc= -0.154 USER MOD Set 3.3: A 107 TYR OH : rot 48:sc= 0.984 USER MOD Set 4.1: A 77 CYS SG : rot -97:sc= 0.849 USER MOD Set 4.2: A 148 GLN : amide:sc= 1.86 X(o=2.7,f=2.3) USER MOD Set 5.1: A 66 TYR OH : rot -154:sc= -0.2 USER MOD Set 5.2: A 110 SER OG : rot -84:sc= 0.363 USER MOD Set 6.1: A 30 TYR OH : rot 42:sc= 1.55 USER MOD Set 6.2: A 103 LYS NZ :NH3+ 167:sc= 0.764 (180deg=-0.474) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.13 (180deg=0.701) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 92:sc= 1.9 USER MOD Single : A 11 CYS SG : rot 74:sc= 1.18 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 14 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 15 TYR OH : rot 58:sc= 1.28 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 2.19 (180deg=1.99) USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= -0.199! (180deg=-1.17!) USER MOD Single : A 24 HIS :FLIP no HD1:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 26 TYR OH : rot 50:sc= -0.976! USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 2.2 (180deg=1.9) USER MOD Single : A 36 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.912 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 57 GLN : amide:sc= 0.294! K(o=0.29!,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot -153:sc= -1.17 USER MOD Single : A 73 TYR OH : rot -162:sc= 1.3 USER MOD Single : A 74 MET CE :methyl -166:sc= -0.058 (180deg=-0.491) USER MOD Single : A 75 HIS : no HD1:sc= 0.277 K(o=0.28,f=-5.1!) USER MOD Single : A 76 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.8!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -2.13! C(o=-2.1!,f=-7.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0.713 (180deg=0.713) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -139:sc= 0.324 (180deg=-1.27!) USER MOD Single : A 116 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0476) USER MOD Single : A 117 SER OG : rot 110:sc= -0.832 USER MOD Single : A 122 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 131 SER OG : rot 73:sc= 0.343 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -152:sc= 1.25 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.615 -2.516 -0.199 1.00 43.24 N ATOM 2 CA MET A 1 1.712 -1.328 -1.074 1.00 21.33 C ATOM 3 C MET A 1 3.153 -0.844 -1.118 1.00 1.05 C ATOM 4 O MET A 1 3.597 -0.107 -0.237 1.00 42.42 O ATOM 5 CB MET A 1 0.793 -0.202 -0.582 1.00 71.04 C ATOM 6 CG MET A 1 -0.689 -0.556 -0.584 1.00 23.12 C ATOM 7 SD MET A 1 -1.124 -1.829 0.619 1.00 32.12 S ATOM 8 CE MET A 1 -2.883 -1.992 0.320 1.00 5.12 C ATOM 0 H1 MET A 1 0.619 -2.684 0.049 1.00 43.24 H new ATOM 0 H2 MET A 1 1.992 -3.347 -0.698 1.00 43.24 H new ATOM 0 H3 MET A 1 2.166 -2.354 0.668 1.00 43.24 H new ATOM 0 HA MET A 1 1.391 -1.610 -2.077 1.00 21.33 H new ATOM 0 HB2 MET A 1 1.087 0.075 0.430 1.00 71.04 H new ATOM 0 HB3 MET A 1 0.946 0.676 -1.210 1.00 71.04 H new ATOM 0 HG2 MET A 1 -1.270 0.343 -0.377 1.00 23.12 H new ATOM 0 HG3 MET A 1 -0.972 -0.896 -1.580 1.00 23.12 H new ATOM 0 HE1 MET A 1 -3.298 -2.745 0.990 1.00 5.12 H new ATOM 0 HE2 MET A 1 -3.373 -1.035 0.502 1.00 5.12 H new ATOM 0 HE3 MET A 1 -3.050 -2.295 -0.714 1.00 5.12 H new ATOM 20 N ALA A 2 3.885 -1.290 -2.129 1.00 62.21 N ATOM 21 CA ALA A 2 5.297 -0.965 -2.259 1.00 75.51 C ATOM 22 C ALA A 2 5.751 -1.114 -3.707 1.00 42.14 C ATOM 23 O ALA A 2 4.924 -1.232 -4.615 1.00 73.21 O ATOM 24 CB ALA A 2 6.125 -1.860 -1.346 1.00 14.54 C ATOM 0 H ALA A 2 3.521 -1.882 -2.876 1.00 62.21 H new ATOM 0 HA ALA A 2 5.445 0.073 -1.961 1.00 75.51 H new ATOM 0 HB1 ALA A 2 7.181 -1.609 -1.450 1.00 14.54 H new ATOM 0 HB2 ALA A 2 5.817 -1.709 -0.311 1.00 14.54 H new ATOM 0 HB3 ALA A 2 5.971 -2.903 -1.622 1.00 14.54 H new ATOM 30 N SER A 3 7.062 -1.102 -3.911 1.00 35.14 N ATOM 31 CA SER A 3 7.649 -1.248 -5.236 1.00 45.43 C ATOM 32 C SER A 3 7.169 -2.527 -5.924 1.00 21.43 C ATOM 33 O SER A 3 7.138 -3.600 -5.318 1.00 11.44 O ATOM 34 CB SER A 3 9.174 -1.262 -5.123 1.00 31.12 C ATOM 35 OG SER A 3 9.647 -0.100 -4.460 1.00 63.33 O ATOM 0 H SER A 3 7.747 -0.991 -3.164 1.00 35.14 H new ATOM 0 HA SER A 3 7.330 -0.401 -5.843 1.00 45.43 H new ATOM 0 HB2 SER A 3 9.493 -2.151 -4.579 1.00 31.12 H new ATOM 0 HB3 SER A 3 9.615 -1.322 -6.118 1.00 31.12 H new ATOM 0 HG SER A 3 10.625 -0.133 -4.399 1.00 63.33 H new ATOM 41 N GLY A 4 6.788 -2.399 -7.189 1.00 73.40 N ATOM 42 CA GLY A 4 6.347 -3.548 -7.952 1.00 32.22 C ATOM 43 C GLY A 4 4.838 -3.663 -7.990 1.00 2.22 C ATOM 44 O GLY A 4 4.218 -4.179 -7.061 1.00 1.10 O ATOM 0 H GLY A 4 6.777 -1.516 -7.700 1.00 73.40 H new ATOM 0 HA2 GLY A 4 6.730 -3.475 -8.970 1.00 32.22 H new ATOM 0 HA3 GLY A 4 6.768 -4.454 -7.517 1.00 32.22 H new ATOM 48 N VAL A 5 4.246 -3.175 -9.068 1.00 1.43 N ATOM 49 CA VAL A 5 2.801 -3.193 -9.226 1.00 72.23 C ATOM 50 C VAL A 5 2.419 -3.969 -10.484 1.00 51.12 C ATOM 51 O VAL A 5 3.101 -3.880 -11.508 1.00 64.12 O ATOM 52 CB VAL A 5 2.232 -1.755 -9.297 1.00 74.42 C ATOM 53 CG1 VAL A 5 0.724 -1.759 -9.482 1.00 4.34 C ATOM 54 CG2 VAL A 5 2.606 -0.972 -8.048 1.00 22.40 C ATOM 0 H VAL A 5 4.748 -2.759 -9.852 1.00 1.43 H new ATOM 0 HA VAL A 5 2.371 -3.688 -8.355 1.00 72.23 H new ATOM 0 HB VAL A 5 2.674 -1.269 -10.167 1.00 74.42 H new ATOM 0 HG11 VAL A 5 0.360 -0.732 -9.527 1.00 4.34 H new ATOM 0 HG12 VAL A 5 0.473 -2.274 -10.409 1.00 4.34 H new ATOM 0 HG13 VAL A 5 0.256 -2.273 -8.643 1.00 4.34 H new ATOM 0 HG21 VAL A 5 2.198 0.036 -8.115 1.00 22.40 H new ATOM 0 HG22 VAL A 5 2.197 -1.471 -7.170 1.00 22.40 H new ATOM 0 HG23 VAL A 5 3.691 -0.919 -7.963 1.00 22.40 H new ATOM 64 N THR A 6 1.336 -4.725 -10.402 1.00 31.23 N ATOM 65 CA THR A 6 0.898 -5.556 -11.509 1.00 43.21 C ATOM 66 C THR A 6 -0.221 -4.869 -12.288 1.00 43.03 C ATOM 67 O THR A 6 -1.053 -4.172 -11.712 1.00 3.01 O ATOM 68 CB THR A 6 0.425 -6.930 -10.996 1.00 60.14 C ATOM 69 OG1 THR A 6 1.496 -7.565 -10.284 1.00 55.10 O ATOM 70 CG2 THR A 6 -0.024 -7.820 -12.144 1.00 13.20 C ATOM 0 H THR A 6 0.742 -4.779 -9.575 1.00 31.23 H new ATOM 0 HA THR A 6 1.744 -5.706 -12.180 1.00 43.21 H new ATOM 0 HB THR A 6 -0.426 -6.777 -10.332 1.00 60.14 H new ATOM 0 HG1 THR A 6 1.197 -8.439 -9.955 1.00 55.10 H new ATOM 0 HG21 THR A 6 -0.352 -8.782 -11.751 1.00 13.20 H new ATOM 0 HG22 THR A 6 -0.849 -7.343 -12.673 1.00 13.20 H new ATOM 0 HG23 THR A 6 0.807 -7.973 -12.832 1.00 13.20 H new ATOM 78 N VAL A 7 -0.220 -5.057 -13.600 1.00 3.04 N ATOM 79 CA VAL A 7 -1.167 -4.391 -14.478 1.00 60.23 C ATOM 80 C VAL A 7 -2.308 -5.331 -14.862 1.00 0.21 C ATOM 81 O VAL A 7 -2.071 -6.483 -15.225 1.00 42.40 O ATOM 82 CB VAL A 7 -0.471 -3.907 -15.767 1.00 44.44 C ATOM 83 CG1 VAL A 7 -1.343 -2.913 -16.511 1.00 4.54 C ATOM 84 CG2 VAL A 7 0.890 -3.303 -15.456 1.00 52.30 C ATOM 0 H VAL A 7 0.435 -5.673 -14.082 1.00 3.04 H new ATOM 0 HA VAL A 7 -1.568 -3.535 -13.935 1.00 60.23 H new ATOM 0 HB VAL A 7 -0.317 -4.773 -16.411 1.00 44.44 H new ATOM 0 HG11 VAL A 7 -0.831 -2.586 -17.416 1.00 4.54 H new ATOM 0 HG12 VAL A 7 -2.287 -3.387 -16.779 1.00 4.54 H new ATOM 0 HG13 VAL A 7 -1.538 -2.051 -15.873 1.00 4.54 H new ATOM 0 HG21 VAL A 7 1.360 -2.970 -16.381 1.00 52.30 H new ATOM 0 HG22 VAL A 7 0.766 -2.453 -14.785 1.00 52.30 H new ATOM 0 HG23 VAL A 7 1.520 -4.053 -14.979 1.00 52.30 H new ATOM 94 N SER A 8 -3.542 -4.846 -14.762 1.00 3.04 N ATOM 95 CA SER A 8 -4.692 -5.598 -15.243 1.00 34.25 C ATOM 96 C SER A 8 -4.743 -5.559 -16.765 1.00 63.01 C ATOM 97 O SER A 8 -4.316 -4.579 -17.384 1.00 1.53 O ATOM 98 CB SER A 8 -5.993 -5.029 -14.671 1.00 21.43 C ATOM 99 OG SER A 8 -5.999 -5.085 -13.256 1.00 51.43 O ATOM 0 H SER A 8 -3.769 -3.939 -14.354 1.00 3.04 H new ATOM 0 HA SER A 8 -4.587 -6.630 -14.910 1.00 34.25 H new ATOM 0 HB2 SER A 8 -6.115 -3.996 -14.997 1.00 21.43 H new ATOM 0 HB3 SER A 8 -6.841 -5.590 -15.063 1.00 21.43 H new ATOM 0 HG SER A 8 -5.645 -4.246 -12.894 1.00 51.43 H new ATOM 105 N ASP A 9 -5.278 -6.615 -17.361 1.00 54.23 N ATOM 106 CA ASP A 9 -5.379 -6.712 -18.813 1.00 64.21 C ATOM 107 C ASP A 9 -6.271 -5.601 -19.370 1.00 61.04 C ATOM 108 O ASP A 9 -6.179 -5.247 -20.550 1.00 34.34 O ATOM 109 CB ASP A 9 -5.920 -8.086 -19.208 1.00 65.43 C ATOM 110 CG ASP A 9 -5.922 -8.311 -20.705 1.00 3.55 C ATOM 111 OD1 ASP A 9 -4.833 -8.301 -21.316 1.00 52.22 O ATOM 112 OD2 ASP A 9 -7.012 -8.511 -21.275 1.00 62.31 O ATOM 0 H ASP A 9 -5.651 -7.421 -16.860 1.00 54.23 H new ATOM 0 HA ASP A 9 -4.384 -6.590 -19.241 1.00 64.21 H new ATOM 0 HB2 ASP A 9 -5.318 -8.859 -18.730 1.00 65.43 H new ATOM 0 HB3 ASP A 9 -6.936 -8.194 -18.828 1.00 65.43 H new ATOM 117 N VAL A 10 -7.120 -5.041 -18.503 1.00 24.22 N ATOM 118 CA VAL A 10 -7.973 -3.911 -18.872 1.00 12.22 C ATOM 119 C VAL A 10 -7.127 -2.753 -19.395 1.00 21.11 C ATOM 120 O VAL A 10 -7.511 -2.060 -20.337 1.00 62.13 O ATOM 121 CB VAL A 10 -8.821 -3.396 -17.679 1.00 41.22 C ATOM 122 CG1 VAL A 10 -9.928 -2.479 -18.172 1.00 42.12 C ATOM 123 CG2 VAL A 10 -9.405 -4.546 -16.881 1.00 20.11 C ATOM 0 H VAL A 10 -7.234 -5.354 -17.539 1.00 24.22 H new ATOM 0 HA VAL A 10 -8.648 -4.274 -19.647 1.00 12.22 H new ATOM 0 HB VAL A 10 -8.162 -2.830 -17.020 1.00 41.22 H new ATOM 0 HG11 VAL A 10 -10.514 -2.126 -17.323 1.00 42.12 H new ATOM 0 HG12 VAL A 10 -9.490 -1.626 -18.690 1.00 42.12 H new ATOM 0 HG13 VAL A 10 -10.576 -3.026 -18.857 1.00 42.12 H new ATOM 0 HG21 VAL A 10 -9.994 -4.152 -16.052 1.00 20.11 H new ATOM 0 HG22 VAL A 10 -10.044 -5.149 -17.526 1.00 20.11 H new ATOM 0 HG23 VAL A 10 -8.597 -5.165 -16.490 1.00 20.11 H new ATOM 133 N CYS A 11 -5.961 -2.565 -18.792 1.00 53.22 N ATOM 134 CA CYS A 11 -5.075 -1.473 -19.162 1.00 22.45 C ATOM 135 C CYS A 11 -4.455 -1.713 -20.537 1.00 34.53 C ATOM 136 O CYS A 11 -4.531 -0.852 -21.418 1.00 1.41 O ATOM 137 CB CYS A 11 -3.981 -1.306 -18.105 1.00 44.31 C ATOM 138 SG CYS A 11 -2.796 0.011 -18.457 1.00 50.14 S ATOM 0 H CYS A 11 -5.607 -3.158 -18.042 1.00 53.22 H new ATOM 0 HA CYS A 11 -5.662 -0.556 -19.213 1.00 22.45 H new ATOM 0 HB2 CYS A 11 -4.451 -1.107 -17.142 1.00 44.31 H new ATOM 0 HB3 CYS A 11 -3.441 -2.248 -18.007 1.00 44.31 H new ATOM 0 HG CYS A 11 -3.356 1.166 -18.248 1.00 50.14 H new ATOM 144 N LYS A 12 -3.867 -2.893 -20.726 1.00 71.34 N ATOM 145 CA LYS A 12 -3.189 -3.214 -21.978 1.00 54.01 C ATOM 146 C LYS A 12 -4.166 -3.186 -23.149 1.00 22.52 C ATOM 147 O LYS A 12 -3.884 -2.592 -24.189 1.00 73.35 O ATOM 148 CB LYS A 12 -2.536 -4.594 -21.908 1.00 52.34 C ATOM 149 CG LYS A 12 -1.647 -4.894 -23.107 1.00 1.32 C ATOM 150 CD LYS A 12 -1.480 -6.387 -23.336 1.00 71.14 C ATOM 151 CE LYS A 12 -2.798 -7.038 -23.723 1.00 20.34 C ATOM 152 NZ LYS A 12 -2.612 -8.429 -24.207 1.00 35.12 N ATOM 0 H LYS A 12 -3.847 -3.639 -20.031 1.00 71.34 H new ATOM 0 HA LYS A 12 -2.419 -2.459 -22.132 1.00 54.01 H new ATOM 0 HB2 LYS A 12 -1.942 -4.663 -20.996 1.00 52.34 H new ATOM 0 HB3 LYS A 12 -3.314 -5.355 -21.840 1.00 52.34 H new ATOM 0 HG2 LYS A 12 -2.076 -4.437 -23.999 1.00 1.32 H new ATOM 0 HG3 LYS A 12 -0.668 -4.439 -22.955 1.00 1.32 H new ATOM 0 HD2 LYS A 12 -0.744 -6.556 -24.122 1.00 71.14 H new ATOM 0 HD3 LYS A 12 -1.093 -6.855 -22.431 1.00 71.14 H new ATOM 0 HE2 LYS A 12 -3.467 -7.040 -22.863 1.00 20.34 H new ATOM 0 HE3 LYS A 12 -3.280 -6.445 -24.500 1.00 20.34 H new ATOM 0 HZ1 LYS A 12 -3.535 -8.835 -24.460 1.00 35.12 H new ATOM 0 HZ2 LYS A 12 -1.994 -8.426 -25.044 1.00 35.12 H new ATOM 0 HZ3 LYS A 12 -2.176 -9.002 -23.457 1.00 35.12 H new ATOM 166 N THR A 13 -5.314 -3.827 -22.964 1.00 73.24 N ATOM 167 CA THR A 13 -6.317 -3.933 -24.015 1.00 72.04 C ATOM 168 C THR A 13 -6.801 -2.552 -24.465 1.00 24.40 C ATOM 169 O THR A 13 -7.085 -2.336 -25.644 1.00 73.25 O ATOM 170 CB THR A 13 -7.511 -4.785 -23.539 1.00 73.54 C ATOM 171 OG1 THR A 13 -7.034 -6.051 -23.072 1.00 41.02 O ATOM 172 CG2 THR A 13 -8.518 -5.011 -24.656 1.00 24.53 C ATOM 0 H THR A 13 -5.574 -4.284 -22.090 1.00 73.24 H new ATOM 0 HA THR A 13 -5.851 -4.423 -24.870 1.00 72.04 H new ATOM 0 HB THR A 13 -8.011 -4.246 -22.734 1.00 73.54 H new ATOM 0 HG1 THR A 13 -6.696 -5.956 -22.157 1.00 41.02 H new ATOM 0 HG21 THR A 13 -9.345 -5.615 -24.283 1.00 24.53 H new ATOM 0 HG22 THR A 13 -8.898 -4.050 -25.003 1.00 24.53 H new ATOM 0 HG23 THR A 13 -8.034 -5.530 -25.483 1.00 24.53 H new ATOM 180 N THR A 14 -6.865 -1.613 -23.531 1.00 51.22 N ATOM 181 CA THR A 14 -7.306 -0.264 -23.845 1.00 2.53 C ATOM 182 C THR A 14 -6.206 0.518 -24.570 1.00 2.51 C ATOM 183 O THR A 14 -6.482 1.256 -25.520 1.00 52.44 O ATOM 184 CB THR A 14 -7.742 0.483 -22.572 1.00 74.24 C ATOM 185 OG1 THR A 14 -8.723 -0.296 -21.871 1.00 42.54 O ATOM 186 CG2 THR A 14 -8.331 1.841 -22.913 1.00 25.05 C ATOM 0 H THR A 14 -6.618 -1.761 -22.553 1.00 51.22 H new ATOM 0 HA THR A 14 -8.166 -0.343 -24.509 1.00 2.53 H new ATOM 0 HB THR A 14 -6.864 0.632 -21.944 1.00 74.24 H new ATOM 0 HG1 THR A 14 -8.272 -0.932 -21.277 1.00 42.54 H new ATOM 0 HG21 THR A 14 -8.631 2.348 -21.996 1.00 25.05 H new ATOM 0 HG22 THR A 14 -7.584 2.442 -23.432 1.00 25.05 H new ATOM 0 HG23 THR A 14 -9.201 1.709 -23.556 1.00 25.05 H new ATOM 194 N TYR A 15 -4.960 0.346 -24.124 1.00 71.12 N ATOM 195 CA TYR A 15 -3.813 0.962 -24.794 1.00 42.53 C ATOM 196 C TYR A 15 -3.716 0.479 -26.239 1.00 23.51 C ATOM 197 O TYR A 15 -3.362 1.246 -27.135 1.00 40.43 O ATOM 198 CB TYR A 15 -2.507 0.654 -24.043 1.00 2.52 C ATOM 199 CG TYR A 15 -1.263 1.203 -24.719 1.00 3.11 C ATOM 200 CD1 TYR A 15 -0.838 2.511 -24.499 1.00 32.23 C ATOM 201 CD2 TYR A 15 -0.516 0.412 -25.584 1.00 62.13 C ATOM 202 CE1 TYR A 15 0.293 3.009 -25.123 1.00 60.05 C ATOM 203 CE2 TYR A 15 0.612 0.903 -26.212 1.00 4.42 C ATOM 204 CZ TYR A 15 1.012 2.200 -25.979 1.00 52.01 C ATOM 205 OH TYR A 15 2.136 2.691 -26.609 1.00 71.12 O ATOM 0 H TYR A 15 -4.720 -0.213 -23.305 1.00 71.12 H new ATOM 0 HA TYR A 15 -3.962 2.042 -24.793 1.00 42.53 H new ATOM 0 HB2 TYR A 15 -2.573 1.066 -23.036 1.00 2.52 H new ATOM 0 HB3 TYR A 15 -2.405 -0.426 -23.939 1.00 2.52 H new ATOM 0 HD1 TYR A 15 -1.400 3.147 -23.831 1.00 32.23 H new ATOM 0 HD2 TYR A 15 -0.824 -0.607 -25.769 1.00 62.13 H new ATOM 0 HE1 TYR A 15 0.611 4.025 -24.941 1.00 60.05 H new ATOM 0 HE2 TYR A 15 1.178 0.273 -26.882 1.00 4.42 H new ATOM 0 HH TYR A 15 2.778 3.002 -25.937 1.00 71.12 H new ATOM 215 N GLU A 16 -4.041 -0.792 -26.454 1.00 50.22 N ATOM 216 CA GLU A 16 -4.021 -1.388 -27.787 1.00 15.01 C ATOM 217 C GLU A 16 -4.892 -0.578 -28.750 1.00 2.11 C ATOM 218 O GLU A 16 -4.504 -0.311 -29.889 1.00 24.01 O ATOM 219 CB GLU A 16 -4.527 -2.831 -27.718 1.00 21.32 C ATOM 220 CG GLU A 16 -4.188 -3.670 -28.940 1.00 3.20 C ATOM 221 CD GLU A 16 -2.751 -4.150 -28.934 1.00 42.02 C ATOM 222 OE1 GLU A 16 -2.473 -5.197 -28.307 1.00 61.03 O ATOM 223 OE2 GLU A 16 -1.890 -3.491 -29.552 1.00 32.10 O ATOM 0 H GLU A 16 -4.324 -1.435 -25.715 1.00 50.22 H new ATOM 0 HA GLU A 16 -2.995 -1.382 -28.156 1.00 15.01 H new ATOM 0 HB2 GLU A 16 -4.106 -3.310 -26.834 1.00 21.32 H new ATOM 0 HB3 GLU A 16 -5.609 -2.819 -27.589 1.00 21.32 H new ATOM 0 HG2 GLU A 16 -4.855 -4.531 -28.982 1.00 3.20 H new ATOM 0 HG3 GLU A 16 -4.368 -3.083 -29.841 1.00 3.20 H new ATOM 230 N GLU A 17 -6.066 -0.173 -28.276 1.00 65.02 N ATOM 231 CA GLU A 17 -6.987 0.611 -29.086 1.00 25.31 C ATOM 232 C GLU A 17 -6.491 2.039 -29.285 1.00 44.21 C ATOM 233 O GLU A 17 -6.434 2.528 -30.412 1.00 25.10 O ATOM 234 CB GLU A 17 -8.377 0.656 -28.452 1.00 32.21 C ATOM 235 CG GLU A 17 -9.386 -0.275 -29.100 1.00 72.24 C ATOM 236 CD GLU A 17 -9.236 -1.713 -28.660 1.00 60.43 C ATOM 237 OE1 GLU A 17 -9.703 -2.040 -27.550 1.00 72.31 O ATOM 238 OE2 GLU A 17 -8.676 -2.526 -29.425 1.00 61.34 O ATOM 0 H GLU A 17 -6.401 -0.376 -27.334 1.00 65.02 H new ATOM 0 HA GLU A 17 -7.043 0.118 -30.056 1.00 25.31 H new ATOM 0 HB2 GLU A 17 -8.291 0.402 -27.396 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -8.755 1.677 -28.504 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -10.393 0.068 -28.862 1.00 72.24 H new ATOM 0 HG3 GLU A 17 -9.278 -0.220 -30.183 1.00 72.24 H new ATOM 245 N ILE A 18 -6.117 2.700 -28.193 1.00 23.30 N ATOM 246 CA ILE A 18 -5.809 4.132 -28.228 1.00 41.13 C ATOM 247 C ILE A 18 -4.584 4.440 -29.099 1.00 3.53 C ATOM 248 O ILE A 18 -4.459 5.535 -29.635 1.00 13.13 O ATOM 249 CB ILE A 18 -5.611 4.708 -26.800 1.00 63.42 C ATOM 250 CG1 ILE A 18 -5.467 6.234 -26.844 1.00 22.43 C ATOM 251 CG2 ILE A 18 -4.406 4.080 -26.122 1.00 60.03 C ATOM 252 CD1 ILE A 18 -5.308 6.872 -25.478 1.00 50.34 C ATOM 0 H ILE A 18 -6.019 2.270 -27.273 1.00 23.30 H new ATOM 0 HA ILE A 18 -6.671 4.621 -28.681 1.00 41.13 H new ATOM 0 HB ILE A 18 -6.497 4.462 -26.215 1.00 63.42 H new ATOM 0 HG12 ILE A 18 -4.604 6.491 -27.458 1.00 22.43 H new ATOM 0 HG13 ILE A 18 -6.343 6.659 -27.333 1.00 22.43 H new ATOM 0 HG21 ILE A 18 -4.290 4.501 -25.123 1.00 60.03 H new ATOM 0 HG22 ILE A 18 -4.551 3.002 -26.047 1.00 60.03 H new ATOM 0 HG23 ILE A 18 -3.510 4.285 -26.709 1.00 60.03 H new ATOM 0 HD11 ILE A 18 -5.212 7.952 -25.590 1.00 50.34 H new ATOM 0 HD12 ILE A 18 -6.182 6.647 -24.867 1.00 50.34 H new ATOM 0 HD13 ILE A 18 -4.415 6.477 -24.993 1.00 50.34 H new ATOM 264 N LYS A 19 -3.691 3.472 -29.259 1.00 13.42 N ATOM 265 CA LYS A 19 -2.504 3.685 -30.081 1.00 62.32 C ATOM 266 C LYS A 19 -2.825 3.554 -31.572 1.00 25.43 C ATOM 267 O LYS A 19 -2.221 4.229 -32.404 1.00 32.12 O ATOM 268 CB LYS A 19 -1.394 2.704 -29.693 1.00 43.54 C ATOM 269 CG LYS A 19 -1.780 1.246 -29.879 1.00 21.43 C ATOM 270 CD LYS A 19 -0.638 0.305 -29.545 1.00 54.12 C ATOM 271 CE LYS A 19 0.558 0.536 -30.452 1.00 13.52 C ATOM 272 NZ LYS A 19 1.534 -0.576 -30.357 1.00 53.20 N ATOM 0 H LYS A 19 -3.762 2.545 -28.839 1.00 13.42 H new ATOM 0 HA LYS A 19 -2.156 4.702 -29.897 1.00 62.32 H new ATOM 0 HB2 LYS A 19 -0.508 2.916 -30.291 1.00 43.54 H new ATOM 0 HB3 LYS A 19 -1.122 2.869 -28.650 1.00 43.54 H new ATOM 0 HG2 LYS A 19 -2.636 1.015 -29.246 1.00 21.43 H new ATOM 0 HG3 LYS A 19 -2.093 1.083 -30.910 1.00 21.43 H new ATOM 0 HD2 LYS A 19 -0.341 0.447 -28.506 1.00 54.12 H new ATOM 0 HD3 LYS A 19 -0.975 -0.727 -29.642 1.00 54.12 H new ATOM 0 HE2 LYS A 19 0.220 0.638 -31.483 1.00 13.52 H new ATOM 0 HE3 LYS A 19 1.045 1.473 -30.182 1.00 13.52 H new ATOM 0 HZ1 LYS A 19 2.338 -0.387 -30.989 1.00 53.20 H new ATOM 0 HZ2 LYS A 19 1.874 -0.656 -29.378 1.00 53.20 H new ATOM 0 HZ3 LYS A 19 1.075 -1.466 -30.638 1.00 53.20 H new ATOM 286 N LYS A 20 -3.771 2.682 -31.906 1.00 45.21 N ATOM 287 CA LYS A 20 -4.104 2.417 -33.304 1.00 55.53 C ATOM 288 C LYS A 20 -5.320 3.215 -33.765 1.00 71.25 C ATOM 289 O LYS A 20 -5.248 3.989 -34.721 1.00 70.21 O ATOM 290 CB LYS A 20 -4.385 0.927 -33.514 1.00 10.54 C ATOM 291 CG LYS A 20 -3.178 0.025 -33.315 1.00 25.25 C ATOM 292 CD LYS A 20 -3.533 -1.432 -33.577 1.00 24.42 C ATOM 293 CE LYS A 20 -4.071 -1.631 -34.988 1.00 43.23 C ATOM 294 NZ LYS A 20 -4.507 -3.031 -35.226 1.00 44.21 N ATOM 0 H LYS A 20 -4.319 2.148 -31.232 1.00 45.21 H new ATOM 0 HA LYS A 20 -3.242 2.725 -33.896 1.00 55.53 H new ATOM 0 HB2 LYS A 20 -5.172 0.618 -32.826 1.00 10.54 H new ATOM 0 HB3 LYS A 20 -4.769 0.781 -34.523 1.00 10.54 H new ATOM 0 HG2 LYS A 20 -2.376 0.333 -33.985 1.00 25.25 H new ATOM 0 HG3 LYS A 20 -2.803 0.134 -32.297 1.00 25.25 H new ATOM 0 HD2 LYS A 20 -2.650 -2.054 -33.432 1.00 24.42 H new ATOM 0 HD3 LYS A 20 -4.278 -1.762 -32.853 1.00 24.42 H new ATOM 0 HE2 LYS A 20 -4.911 -0.957 -35.154 1.00 43.23 H new ATOM 0 HE3 LYS A 20 -3.300 -1.364 -35.711 1.00 43.23 H new ATOM 0 HZ1 LYS A 20 -4.866 -3.122 -36.198 1.00 44.21 H new ATOM 0 HZ2 LYS A 20 -3.700 -3.673 -35.093 1.00 44.21 H new ATOM 0 HZ3 LYS A 20 -5.261 -3.279 -34.554 1.00 44.21 H new ATOM 308 N ASP A 21 -6.430 3.009 -33.075 1.00 61.44 N ATOM 309 CA ASP A 21 -7.726 3.540 -33.489 1.00 45.12 C ATOM 310 C ASP A 21 -8.069 4.807 -32.710 1.00 25.54 C ATOM 311 O ASP A 21 -8.779 5.682 -33.204 1.00 33.35 O ATOM 312 CB ASP A 21 -8.783 2.458 -33.258 1.00 54.22 C ATOM 313 CG ASP A 21 -10.195 2.922 -33.525 1.00 61.42 C ATOM 314 OD1 ASP A 21 -10.625 2.901 -34.699 1.00 34.15 O ATOM 315 OD2 ASP A 21 -10.894 3.278 -32.559 1.00 74.25 O ATOM 0 H ASP A 21 -6.462 2.469 -32.210 1.00 61.44 H new ATOM 0 HA ASP A 21 -7.695 3.809 -34.545 1.00 45.12 H new ATOM 0 HB2 ASP A 21 -8.563 1.605 -33.900 1.00 54.22 H new ATOM 0 HB3 ASP A 21 -8.713 2.109 -32.228 1.00 54.22 H new ATOM 320 N LYS A 22 -7.544 4.870 -31.487 1.00 3.34 N ATOM 321 CA LYS A 22 -7.629 6.035 -30.591 1.00 24.21 C ATOM 322 C LYS A 22 -9.040 6.623 -30.436 1.00 10.01 C ATOM 323 O LYS A 22 -9.187 7.812 -30.142 1.00 53.33 O ATOM 324 CB LYS A 22 -6.643 7.138 -31.007 1.00 13.32 C ATOM 325 CG LYS A 22 -6.990 7.880 -32.290 1.00 43.10 C ATOM 326 CD LYS A 22 -6.330 9.243 -32.306 1.00 52.04 C ATOM 327 CE LYS A 22 -6.830 10.093 -31.146 1.00 13.13 C ATOM 328 NZ LYS A 22 -5.982 11.287 -30.921 1.00 45.13 N ATOM 0 H LYS A 22 -7.031 4.091 -31.075 1.00 3.34 H new ATOM 0 HA LYS A 22 -7.353 5.646 -29.611 1.00 24.21 H new ATOM 0 HB2 LYS A 22 -6.574 7.863 -30.196 1.00 13.32 H new ATOM 0 HB3 LYS A 22 -5.655 6.693 -31.122 1.00 13.32 H new ATOM 0 HG2 LYS A 22 -6.663 7.300 -33.153 1.00 43.10 H new ATOM 0 HG3 LYS A 22 -8.071 7.991 -32.372 1.00 43.10 H new ATOM 0 HD2 LYS A 22 -5.248 9.130 -32.241 1.00 52.04 H new ATOM 0 HD3 LYS A 22 -6.542 9.745 -33.250 1.00 52.04 H new ATOM 0 HE2 LYS A 22 -7.854 10.409 -31.344 1.00 13.13 H new ATOM 0 HE3 LYS A 22 -6.853 9.489 -30.239 1.00 13.13 H new ATOM 0 HZ1 LYS A 22 -6.432 11.905 -30.216 1.00 45.13 H new ATOM 0 HZ2 LYS A 22 -5.048 10.989 -30.574 1.00 45.13 H new ATOM 0 HZ3 LYS A 22 -5.870 11.807 -31.815 1.00 45.13 H new ATOM 342 N LYS A 23 -10.077 5.804 -30.588 1.00 12.32 N ATOM 343 CA LYS A 23 -11.430 6.256 -30.267 1.00 51.20 C ATOM 344 C LYS A 23 -11.529 6.512 -28.774 1.00 12.54 C ATOM 345 O LYS A 23 -12.180 7.460 -28.331 1.00 63.34 O ATOM 346 CB LYS A 23 -12.480 5.238 -30.707 1.00 24.52 C ATOM 347 CG LYS A 23 -13.166 5.588 -32.020 1.00 24.30 C ATOM 348 CD LYS A 23 -12.168 5.987 -33.097 1.00 11.25 C ATOM 349 CE LYS A 23 -12.697 5.662 -34.481 1.00 33.44 C ATOM 350 NZ LYS A 23 -12.975 4.209 -34.625 1.00 3.43 N ATOM 0 H LYS A 23 -10.012 4.843 -30.924 1.00 12.32 H new ATOM 0 HA LYS A 23 -11.627 7.179 -30.811 1.00 51.20 H new ATOM 0 HB2 LYS A 23 -12.006 4.261 -30.805 1.00 24.52 H new ATOM 0 HB3 LYS A 23 -13.235 5.149 -29.926 1.00 24.52 H new ATOM 0 HG2 LYS A 23 -13.748 4.733 -32.364 1.00 24.30 H new ATOM 0 HG3 LYS A 23 -13.868 6.406 -31.855 1.00 24.30 H new ATOM 0 HD2 LYS A 23 -11.959 7.054 -33.026 1.00 11.25 H new ATOM 0 HD3 LYS A 23 -11.225 5.466 -32.934 1.00 11.25 H new ATOM 0 HE2 LYS A 23 -13.609 6.229 -34.667 1.00 33.44 H new ATOM 0 HE3 LYS A 23 -11.971 5.972 -35.232 1.00 33.44 H new ATOM 0 HZ1 LYS A 23 -13.787 4.072 -35.260 1.00 3.43 H new ATOM 0 HZ2 LYS A 23 -12.140 3.734 -35.023 1.00 3.43 H new ATOM 0 HZ3 LYS A 23 -13.193 3.803 -33.693 1.00 3.43 H new ATOM 364 N HIS A 24 -10.856 5.667 -28.002 1.00 3.40 N ATOM 365 CA HIS A 24 -10.700 5.900 -26.574 1.00 32.33 C ATOM 366 C HIS A 24 -9.635 6.968 -26.380 1.00 51.05 C ATOM 367 O HIS A 24 -8.489 6.662 -26.068 1.00 51.53 O ATOM 368 CB HIS A 24 -10.303 4.614 -25.837 1.00 65.13 C ATOM 369 CG HIS A 24 -11.238 3.465 -26.069 1.00 3.33 C ATOM 370 ND1 HIS A 24 -11.041 2.284 -26.700 1.00 3.31 N flip ATOM 371 CD2 HIS A 24 -12.548 3.450 -25.640 1.00 72.10 C flip ATOM 372 CE1 HIS A 24 -12.220 1.586 -26.643 1.00 52.41 C flip ATOM 373 NE2 HIS A 24 -13.113 2.311 -25.999 1.00 3.15 N flip ATOM 0 H HIS A 24 -10.410 4.815 -28.342 1.00 3.40 H new ATOM 0 HA HIS A 24 -11.651 6.230 -26.157 1.00 32.33 H new ATOM 0 HB2 HIS A 24 -9.301 4.322 -26.150 1.00 65.13 H new ATOM 0 HB3 HIS A 24 -10.255 4.820 -24.768 1.00 65.13 H new ATOM 0 HD2 HIS A 24 -13.036 4.245 -25.096 1.00 72.10 H new ATOM 0 HE1 HIS A 24 -12.389 0.603 -27.058 1.00 52.41 H new ATOM 0 HE2 HIS A 24 -14.078 2.039 -25.810 1.00 3.15 H new ATOM 382 N ARG A 25 -10.030 8.214 -26.605 1.00 1.13 N ATOM 383 CA ARG A 25 -9.099 9.335 -26.691 1.00 75.03 C ATOM 384 C ARG A 25 -8.356 9.556 -25.375 1.00 20.20 C ATOM 385 O ARG A 25 -7.186 9.938 -25.370 1.00 3.24 O ATOM 386 CB ARG A 25 -9.866 10.599 -27.091 1.00 3.12 C ATOM 387 CG ARG A 25 -9.004 11.677 -27.726 1.00 53.23 C ATOM 388 CD ARG A 25 -9.839 12.894 -28.093 1.00 44.21 C ATOM 389 NE ARG A 25 -9.088 13.873 -28.878 1.00 22.42 N ATOM 390 CZ ARG A 25 -9.061 15.180 -28.620 1.00 14.04 C ATOM 391 NH1 ARG A 25 -9.679 15.667 -27.547 1.00 70.23 N ATOM 392 NH2 ARG A 25 -8.401 15.995 -29.432 1.00 12.04 N ATOM 0 H ARG A 25 -11.007 8.478 -26.734 1.00 1.13 H new ATOM 0 HA ARG A 25 -8.350 9.103 -27.448 1.00 75.03 H new ATOM 0 HB2 ARG A 25 -10.657 10.325 -27.789 1.00 3.12 H new ATOM 0 HB3 ARG A 25 -10.350 11.012 -26.206 1.00 3.12 H new ATOM 0 HG2 ARG A 25 -8.213 11.969 -27.036 1.00 53.23 H new ATOM 0 HG3 ARG A 25 -8.519 11.281 -28.618 1.00 53.23 H new ATOM 0 HD2 ARG A 25 -10.714 12.573 -28.659 1.00 44.21 H new ATOM 0 HD3 ARG A 25 -10.205 13.367 -27.182 1.00 44.21 H new ATOM 0 HE ARG A 25 -8.550 13.533 -29.675 1.00 22.42 H new ATOM 0 HH11 ARG A 25 -10.177 15.039 -26.916 1.00 70.23 H new ATOM 0 HH12 ARG A 25 -9.655 16.668 -27.355 1.00 70.23 H new ATOM 0 HH21 ARG A 25 -7.918 15.620 -30.248 1.00 12.04 H new ATOM 0 HH22 ARG A 25 -8.377 16.996 -29.240 1.00 12.04 H new ATOM 406 N TYR A 26 -9.037 9.321 -24.266 1.00 35.23 N ATOM 407 CA TYR A 26 -8.430 9.487 -22.956 1.00 12.14 C ATOM 408 C TYR A 26 -8.896 8.397 -22.007 1.00 54.23 C ATOM 409 O TYR A 26 -10.086 8.081 -21.935 1.00 23.33 O ATOM 410 CB TYR A 26 -8.730 10.878 -22.383 1.00 61.34 C ATOM 411 CG TYR A 26 -10.167 11.326 -22.556 1.00 61.52 C ATOM 412 CD1 TYR A 26 -10.586 11.934 -23.734 1.00 12.00 C ATOM 413 CD2 TYR A 26 -11.100 11.147 -21.545 1.00 64.43 C ATOM 414 CE1 TYR A 26 -11.891 12.346 -23.901 1.00 54.24 C ATOM 415 CE2 TYR A 26 -12.408 11.557 -21.705 1.00 72.24 C ATOM 416 CZ TYR A 26 -12.797 12.157 -22.885 1.00 44.34 C ATOM 417 OH TYR A 26 -14.098 12.563 -23.052 1.00 53.41 O ATOM 0 H TYR A 26 -10.010 9.015 -24.246 1.00 35.23 H new ATOM 0 HA TYR A 26 -7.350 9.399 -23.070 1.00 12.14 H new ATOM 0 HB2 TYR A 26 -8.486 10.881 -21.321 1.00 61.34 H new ATOM 0 HB3 TYR A 26 -8.075 11.605 -22.863 1.00 61.34 H new ATOM 0 HD1 TYR A 26 -9.876 12.086 -24.533 1.00 12.00 H new ATOM 0 HD2 TYR A 26 -10.798 10.680 -20.619 1.00 64.43 H new ATOM 0 HE1 TYR A 26 -12.199 12.814 -24.824 1.00 54.24 H new ATOM 0 HE2 TYR A 26 -13.124 11.409 -20.910 1.00 72.24 H new ATOM 0 HH TYR A 26 -14.441 12.220 -23.904 1.00 53.41 H new ATOM 427 N VAL A 27 -7.947 7.813 -21.297 1.00 35.40 N ATOM 428 CA VAL A 27 -8.235 6.714 -20.396 1.00 51.20 C ATOM 429 C VAL A 27 -7.838 7.073 -18.968 1.00 74.44 C ATOM 430 O VAL A 27 -6.690 7.446 -18.706 1.00 5.20 O ATOM 431 CB VAL A 27 -7.498 5.431 -20.832 1.00 53.43 C ATOM 432 CG1 VAL A 27 -7.929 4.246 -19.987 1.00 4.30 C ATOM 433 CG2 VAL A 27 -7.734 5.153 -22.309 1.00 61.52 C ATOM 0 H VAL A 27 -6.964 8.085 -21.329 1.00 35.40 H new ATOM 0 HA VAL A 27 -9.309 6.529 -20.433 1.00 51.20 H new ATOM 0 HB VAL A 27 -6.430 5.584 -20.679 1.00 53.43 H new ATOM 0 HG11 VAL A 27 -7.396 3.353 -20.313 1.00 4.30 H new ATOM 0 HG12 VAL A 27 -7.700 4.443 -18.940 1.00 4.30 H new ATOM 0 HG13 VAL A 27 -9.002 4.089 -20.100 1.00 4.30 H new ATOM 0 HG21 VAL A 27 -7.206 4.244 -22.597 1.00 61.52 H new ATOM 0 HG22 VAL A 27 -8.801 5.025 -22.489 1.00 61.52 H new ATOM 0 HG23 VAL A 27 -7.364 5.990 -22.901 1.00 61.52 H new ATOM 443 N ILE A 28 -8.793 6.971 -18.055 1.00 10.33 N ATOM 444 CA ILE A 28 -8.552 7.264 -16.653 1.00 21.13 C ATOM 445 C ILE A 28 -8.391 5.962 -15.877 1.00 73.24 C ATOM 446 O ILE A 28 -9.339 5.186 -15.718 1.00 75.42 O ATOM 447 CB ILE A 28 -9.689 8.108 -16.014 1.00 4.32 C ATOM 448 CG1 ILE A 28 -9.828 9.475 -16.702 1.00 24.23 C ATOM 449 CG2 ILE A 28 -9.439 8.298 -14.522 1.00 41.15 C ATOM 450 CD1 ILE A 28 -10.562 9.436 -18.030 1.00 31.21 C ATOM 0 H ILE A 28 -9.749 6.685 -18.265 1.00 10.33 H new ATOM 0 HA ILE A 28 -7.638 7.856 -16.601 1.00 21.13 H new ATOM 0 HB ILE A 28 -10.622 7.562 -16.153 1.00 4.32 H new ATOM 0 HG12 ILE A 28 -10.353 10.155 -16.030 1.00 24.23 H new ATOM 0 HG13 ILE A 28 -8.833 9.890 -16.862 1.00 24.23 H new ATOM 0 HG21 ILE A 28 -10.245 8.891 -14.091 1.00 41.15 H new ATOM 0 HG22 ILE A 28 -9.403 7.325 -14.032 1.00 41.15 H new ATOM 0 HG23 ILE A 28 -8.490 8.814 -14.375 1.00 41.15 H new ATOM 0 HD11 ILE A 28 -10.615 10.442 -18.446 1.00 31.21 H new ATOM 0 HD12 ILE A 28 -10.028 8.785 -18.722 1.00 31.21 H new ATOM 0 HD13 ILE A 28 -11.571 9.053 -17.877 1.00 31.21 H new ATOM 462 N PHE A 29 -7.185 5.720 -15.409 1.00 3.42 N ATOM 463 CA PHE A 29 -6.872 4.499 -14.694 1.00 30.02 C ATOM 464 C PHE A 29 -7.076 4.705 -13.200 1.00 42.40 C ATOM 465 O PHE A 29 -6.837 5.798 -12.682 1.00 74.22 O ATOM 466 CB PHE A 29 -5.419 4.088 -14.953 1.00 11.32 C ATOM 467 CG PHE A 29 -5.027 4.049 -16.405 1.00 1.54 C ATOM 468 CD1 PHE A 29 -4.558 5.188 -17.040 1.00 73.34 C ATOM 469 CD2 PHE A 29 -5.117 2.875 -17.129 1.00 43.44 C ATOM 470 CE1 PHE A 29 -4.188 5.154 -18.369 1.00 53.30 C ATOM 471 CE2 PHE A 29 -4.748 2.835 -18.460 1.00 52.04 C ATOM 472 CZ PHE A 29 -4.283 3.976 -19.081 1.00 22.34 C ATOM 0 H PHE A 29 -6.397 6.360 -15.512 1.00 3.42 H new ATOM 0 HA PHE A 29 -7.536 3.711 -15.048 1.00 30.02 H new ATOM 0 HB2 PHE A 29 -4.761 4.783 -14.431 1.00 11.32 H new ATOM 0 HB3 PHE A 29 -5.251 3.102 -14.519 1.00 11.32 H new ATOM 0 HD1 PHE A 29 -4.481 6.113 -16.488 1.00 73.34 H new ATOM 0 HD2 PHE A 29 -5.480 1.978 -16.649 1.00 43.44 H new ATOM 0 HE1 PHE A 29 -3.824 6.049 -18.852 1.00 53.30 H new ATOM 0 HE2 PHE A 29 -4.824 1.911 -19.014 1.00 52.04 H new ATOM 0 HZ PHE A 29 -3.994 3.947 -20.121 1.00 22.34 H new ATOM 482 N TYR A 30 -7.516 3.666 -12.509 1.00 24.44 N ATOM 483 CA TYR A 30 -7.602 3.714 -11.060 1.00 33.32 C ATOM 484 C TYR A 30 -6.735 2.613 -10.470 1.00 41.04 C ATOM 485 O TYR A 30 -6.457 1.610 -11.127 1.00 74.22 O ATOM 486 CB TYR A 30 -9.048 3.591 -10.562 1.00 34.35 C ATOM 487 CG TYR A 30 -9.212 3.977 -9.098 1.00 0.13 C ATOM 488 CD1 TYR A 30 -9.251 5.313 -8.712 1.00 74.23 C ATOM 489 CD2 TYR A 30 -9.310 3.011 -8.100 1.00 32.41 C ATOM 490 CE1 TYR A 30 -9.385 5.674 -7.382 1.00 75.14 C ATOM 491 CE2 TYR A 30 -9.441 3.365 -6.767 1.00 11.54 C ATOM 492 CZ TYR A 30 -9.479 4.697 -6.414 1.00 12.23 C ATOM 493 OH TYR A 30 -9.601 5.057 -5.083 1.00 22.20 O ATOM 0 H TYR A 30 -7.817 2.785 -12.925 1.00 24.44 H new ATOM 0 HA TYR A 30 -7.238 4.687 -10.729 1.00 33.32 H new ATOM 0 HB2 TYR A 30 -9.691 4.225 -11.173 1.00 34.35 H new ATOM 0 HB3 TYR A 30 -9.387 2.565 -10.701 1.00 34.35 H new ATOM 0 HD1 TYR A 30 -9.175 6.084 -9.465 1.00 74.23 H new ATOM 0 HD2 TYR A 30 -9.283 1.966 -8.370 1.00 32.41 H new ATOM 0 HE1 TYR A 30 -9.416 6.717 -7.104 1.00 75.14 H new ATOM 0 HE2 TYR A 30 -9.513 2.601 -6.008 1.00 11.54 H new ATOM 0 HH TYR A 30 -10.229 5.805 -5.003 1.00 22.20 H new ATOM 503 N ILE A 31 -6.285 2.813 -9.246 1.00 62.31 N ATOM 504 CA ILE A 31 -5.426 1.846 -8.595 1.00 45.00 C ATOM 505 C ILE A 31 -6.267 0.718 -7.992 1.00 54.40 C ATOM 506 O ILE A 31 -6.882 0.846 -6.931 1.00 31.32 O ATOM 507 CB ILE A 31 -4.519 2.546 -7.554 1.00 60.14 C ATOM 508 CG1 ILE A 31 -3.515 1.580 -6.908 1.00 12.14 C ATOM 509 CG2 ILE A 31 -5.339 3.269 -6.493 1.00 32.44 C ATOM 510 CD1 ILE A 31 -2.565 0.940 -7.892 1.00 43.14 C ATOM 0 H ILE A 31 -6.501 3.636 -8.684 1.00 62.31 H new ATOM 0 HA ILE A 31 -4.763 1.390 -9.330 1.00 45.00 H new ATOM 0 HB ILE A 31 -3.941 3.291 -8.100 1.00 60.14 H new ATOM 0 HG12 ILE A 31 -2.937 2.120 -6.158 1.00 12.14 H new ATOM 0 HG13 ILE A 31 -4.064 0.797 -6.385 1.00 12.14 H new ATOM 0 HG21 ILE A 31 -4.669 3.749 -5.779 1.00 32.44 H new ATOM 0 HG22 ILE A 31 -5.964 4.025 -6.969 1.00 32.44 H new ATOM 0 HG23 ILE A 31 -5.972 2.551 -5.971 1.00 32.44 H new ATOM 0 HD11 ILE A 31 -1.887 0.272 -7.361 1.00 43.14 H new ATOM 0 HD12 ILE A 31 -3.133 0.371 -8.628 1.00 43.14 H new ATOM 0 HD13 ILE A 31 -1.989 1.715 -8.398 1.00 43.14 H new ATOM 522 N ARG A 32 -6.284 -0.386 -8.715 1.00 60.14 N ATOM 523 CA ARG A 32 -7.141 -1.523 -8.427 1.00 5.02 C ATOM 524 C ARG A 32 -6.701 -2.246 -7.169 1.00 2.52 C ATOM 525 O ARG A 32 -5.530 -2.608 -7.024 1.00 75.20 O ATOM 526 CB ARG A 32 -7.101 -2.478 -9.612 1.00 24.12 C ATOM 527 CG ARG A 32 -8.107 -3.604 -9.546 1.00 73.24 C ATOM 528 CD ARG A 32 -8.121 -4.376 -10.850 1.00 64.33 C ATOM 529 NE ARG A 32 -9.285 -5.251 -10.952 1.00 31.32 N ATOM 530 CZ ARG A 32 -9.597 -5.952 -12.039 1.00 4.24 C ATOM 531 NH1 ARG A 32 -8.772 -5.975 -13.081 1.00 72.50 N ATOM 532 NH2 ARG A 32 -10.728 -6.645 -12.076 1.00 24.13 N ATOM 0 H ARG A 32 -5.692 -0.521 -9.534 1.00 60.14 H new ATOM 0 HA ARG A 32 -8.157 -1.163 -8.262 1.00 5.02 H new ATOM 0 HB2 ARG A 32 -7.271 -1.909 -10.526 1.00 24.12 H new ATOM 0 HB3 ARG A 32 -6.101 -2.905 -9.684 1.00 24.12 H new ATOM 0 HG2 ARG A 32 -7.860 -4.273 -8.722 1.00 73.24 H new ATOM 0 HG3 ARG A 32 -9.100 -3.202 -9.343 1.00 73.24 H new ATOM 0 HD2 ARG A 32 -8.118 -3.677 -11.686 1.00 64.33 H new ATOM 0 HD3 ARG A 32 -7.211 -4.971 -10.929 1.00 64.33 H new ATOM 0 HE ARG A 32 -9.897 -5.330 -10.140 1.00 31.32 H new ATOM 0 HH11 ARG A 32 -7.896 -5.454 -13.049 1.00 72.50 H new ATOM 0 HH12 ARG A 32 -9.015 -6.514 -13.912 1.00 72.50 H new ATOM 0 HH21 ARG A 32 -11.356 -6.640 -11.272 1.00 24.13 H new ATOM 0 HH22 ARG A 32 -10.969 -7.183 -12.908 1.00 24.13 H new ATOM 546 N ASP A 33 -7.644 -2.418 -6.249 1.00 52.34 N ATOM 547 CA ASP A 33 -7.414 -3.142 -4.999 1.00 41.15 C ATOM 548 C ASP A 33 -6.303 -2.474 -4.186 1.00 72.10 C ATOM 549 O ASP A 33 -5.834 -3.014 -3.188 1.00 42.35 O ATOM 550 CB ASP A 33 -7.084 -4.616 -5.285 1.00 70.03 C ATOM 551 CG ASP A 33 -7.262 -5.503 -4.068 1.00 11.11 C ATOM 552 OD1 ASP A 33 -8.229 -5.292 -3.310 1.00 21.23 O ATOM 553 OD2 ASP A 33 -6.440 -6.423 -3.867 1.00 23.05 O ATOM 0 H ASP A 33 -8.594 -2.059 -6.347 1.00 52.34 H new ATOM 0 HA ASP A 33 -8.327 -3.110 -4.405 1.00 41.15 H new ATOM 0 HB2 ASP A 33 -7.724 -4.978 -6.090 1.00 70.03 H new ATOM 0 HB3 ASP A 33 -6.055 -4.692 -5.637 1.00 70.03 H new ATOM 558 N GLU A 34 -5.906 -1.281 -4.633 1.00 53.40 N ATOM 559 CA GLU A 34 -4.886 -0.471 -3.978 1.00 44.32 C ATOM 560 C GLU A 34 -3.491 -1.109 -4.033 1.00 15.34 C ATOM 561 O GLU A 34 -2.636 -0.800 -3.203 1.00 30.12 O ATOM 562 CB GLU A 34 -5.298 -0.164 -2.534 1.00 42.32 C ATOM 563 CG GLU A 34 -6.610 0.604 -2.438 1.00 53.31 C ATOM 564 CD GLU A 34 -6.913 1.089 -1.034 1.00 22.33 C ATOM 565 OE1 GLU A 34 -7.291 0.262 -0.177 1.00 75.10 O ATOM 566 OE2 GLU A 34 -6.790 2.307 -0.781 1.00 22.41 O ATOM 0 H GLU A 34 -6.291 -0.847 -5.472 1.00 53.40 H new ATOM 0 HA GLU A 34 -4.814 0.465 -4.533 1.00 44.32 H new ATOM 0 HB2 GLU A 34 -5.390 -1.099 -1.982 1.00 42.32 H new ATOM 0 HB3 GLU A 34 -4.509 0.414 -2.052 1.00 42.32 H new ATOM 0 HG2 GLU A 34 -6.573 1.460 -3.112 1.00 53.31 H new ATOM 0 HG3 GLU A 34 -7.424 -0.035 -2.779 1.00 53.31 H new ATOM 573 N LYS A 35 -3.245 -1.976 -5.021 1.00 34.13 N ATOM 574 CA LYS A 35 -1.889 -2.500 -5.237 1.00 32.44 C ATOM 575 C LYS A 35 -1.655 -2.942 -6.688 1.00 73.13 C ATOM 576 O LYS A 35 -0.536 -3.308 -7.049 1.00 4.23 O ATOM 577 CB LYS A 35 -1.560 -3.662 -4.282 1.00 21.22 C ATOM 578 CG LYS A 35 -2.260 -4.973 -4.611 1.00 33.04 C ATOM 579 CD LYS A 35 -3.654 -5.041 -4.016 1.00 52.32 C ATOM 580 CE LYS A 35 -3.613 -5.164 -2.500 1.00 2.41 C ATOM 581 NZ LYS A 35 -4.979 -5.235 -1.919 1.00 12.34 N ATOM 0 H LYS A 35 -3.949 -2.325 -5.672 1.00 34.13 H new ATOM 0 HA LYS A 35 -1.216 -1.670 -5.022 1.00 32.44 H new ATOM 0 HB2 LYS A 35 -0.483 -3.829 -4.292 1.00 21.22 H new ATOM 0 HB3 LYS A 35 -1.828 -3.367 -3.267 1.00 21.22 H new ATOM 0 HG2 LYS A 35 -2.322 -5.089 -5.693 1.00 33.04 H new ATOM 0 HG3 LYS A 35 -1.665 -5.805 -4.235 1.00 33.04 H new ATOM 0 HD2 LYS A 35 -4.212 -4.147 -4.294 1.00 52.32 H new ATOM 0 HD3 LYS A 35 -4.188 -5.893 -4.436 1.00 52.32 H new ATOM 0 HE2 LYS A 35 -3.052 -6.056 -2.222 1.00 2.41 H new ATOM 0 HE3 LYS A 35 -3.082 -4.310 -2.079 1.00 2.41 H new ATOM 0 HZ1 LYS A 35 -4.913 -5.437 -0.901 1.00 12.34 H new ATOM 0 HZ2 LYS A 35 -5.464 -4.326 -2.061 1.00 12.34 H new ATOM 0 HZ3 LYS A 35 -5.517 -5.992 -2.388 1.00 12.34 H new ATOM 595 N GLN A 36 -2.693 -2.916 -7.517 1.00 53.50 N ATOM 596 CA GLN A 36 -2.549 -3.288 -8.923 1.00 24.15 C ATOM 597 C GLN A 36 -3.188 -2.231 -9.821 1.00 61.45 C ATOM 598 O GLN A 36 -4.013 -1.452 -9.373 1.00 62.43 O ATOM 599 CB GLN A 36 -3.145 -4.678 -9.195 1.00 71.40 C ATOM 600 CG GLN A 36 -4.609 -4.819 -8.812 1.00 13.13 C ATOM 601 CD GLN A 36 -5.185 -6.177 -9.166 1.00 43.34 C ATOM 602 OE1 GLN A 36 -5.701 -6.374 -10.265 1.00 20.11 O ATOM 603 NE2 GLN A 36 -5.113 -7.120 -8.241 1.00 61.24 N ATOM 0 H GLN A 36 -3.637 -2.644 -7.244 1.00 53.50 H new ATOM 0 HA GLN A 36 -1.485 -3.338 -9.155 1.00 24.15 H new ATOM 0 HB2 GLN A 36 -3.036 -4.906 -10.255 1.00 71.40 H new ATOM 0 HB3 GLN A 36 -2.566 -5.422 -8.648 1.00 71.40 H new ATOM 0 HG2 GLN A 36 -4.716 -4.653 -7.740 1.00 13.13 H new ATOM 0 HG3 GLN A 36 -5.187 -4.043 -9.314 1.00 13.13 H new ATOM 0 HE21 GLN A 36 -4.677 -6.919 -7.341 1.00 61.24 H new ATOM 0 HE22 GLN A 36 -5.493 -8.048 -8.428 1.00 61.24 H new ATOM 612 N ILE A 37 -2.783 -2.190 -11.077 1.00 44.03 N ATOM 613 CA ILE A 37 -3.248 -1.163 -12.007 1.00 43.03 C ATOM 614 C ILE A 37 -4.548 -1.589 -12.682 1.00 64.42 C ATOM 615 O ILE A 37 -4.740 -2.776 -12.950 1.00 21.14 O ATOM 616 CB ILE A 37 -2.200 -0.911 -13.100 1.00 24.42 C ATOM 617 CG1 ILE A 37 -0.802 -0.830 -12.480 1.00 74.14 C ATOM 618 CG2 ILE A 37 -2.528 0.357 -13.877 1.00 20.24 C ATOM 619 CD1 ILE A 37 0.297 -0.511 -13.468 1.00 75.21 C ATOM 0 H ILE A 37 -2.129 -2.858 -11.484 1.00 44.03 H new ATOM 0 HA ILE A 37 -3.413 -0.253 -11.430 1.00 43.03 H new ATOM 0 HB ILE A 37 -2.217 -1.745 -13.801 1.00 24.42 H new ATOM 0 HG12 ILE A 37 -0.806 -0.068 -11.700 1.00 74.14 H new ATOM 0 HG13 ILE A 37 -0.576 -1.780 -11.996 1.00 74.14 H new ATOM 0 HG21 ILE A 37 -1.773 0.518 -14.647 1.00 20.24 H new ATOM 0 HG22 ILE A 37 -3.507 0.254 -14.345 1.00 20.24 H new ATOM 0 HG23 ILE A 37 -2.539 1.208 -13.196 1.00 20.24 H new ATOM 0 HD11 ILE A 37 1.254 -0.472 -12.948 1.00 75.21 H new ATOM 0 HD12 ILE A 37 0.332 -1.284 -14.235 1.00 75.21 H new ATOM 0 HD13 ILE A 37 0.098 0.454 -13.934 1.00 75.21 H new ATOM 631 N ASP A 38 -5.426 -0.630 -12.975 1.00 52.22 N ATOM 632 CA ASP A 38 -6.703 -0.944 -13.610 1.00 31.14 C ATOM 633 C ASP A 38 -7.275 0.257 -14.367 1.00 33.31 C ATOM 634 O ASP A 38 -6.832 1.388 -14.186 1.00 41.21 O ATOM 635 CB ASP A 38 -7.699 -1.409 -12.552 1.00 22.20 C ATOM 636 CG ASP A 38 -8.989 -1.937 -13.151 1.00 23.44 C ATOM 637 OD1 ASP A 38 -8.942 -2.468 -14.282 1.00 71.21 O ATOM 638 OD2 ASP A 38 -10.042 -1.840 -12.492 1.00 31.34 O ATOM 0 H ASP A 38 -5.278 0.361 -12.785 1.00 52.22 H new ATOM 0 HA ASP A 38 -6.529 -1.739 -14.335 1.00 31.14 H new ATOM 0 HB2 ASP A 38 -7.240 -2.189 -11.945 1.00 22.20 H new ATOM 0 HB3 ASP A 38 -7.927 -0.578 -11.884 1.00 22.20 H new ATOM 643 N VAL A 39 -8.258 -0.012 -15.220 1.00 52.44 N ATOM 644 CA VAL A 39 -8.972 1.024 -15.957 1.00 74.55 C ATOM 645 C VAL A 39 -10.426 1.061 -15.505 1.00 5.11 C ATOM 646 O VAL A 39 -11.193 0.139 -15.791 1.00 22.12 O ATOM 647 CB VAL A 39 -8.942 0.771 -17.478 1.00 72.11 C ATOM 648 CG1 VAL A 39 -9.713 1.850 -18.222 1.00 22.31 C ATOM 649 CG2 VAL A 39 -7.518 0.689 -17.987 1.00 53.30 C ATOM 0 H VAL A 39 -8.583 -0.958 -15.420 1.00 52.44 H new ATOM 0 HA VAL A 39 -8.475 1.972 -15.752 1.00 74.55 H new ATOM 0 HB VAL A 39 -9.426 -0.187 -17.666 1.00 72.11 H new ATOM 0 HG11 VAL A 39 -9.677 1.650 -19.293 1.00 22.31 H new ATOM 0 HG12 VAL A 39 -10.750 1.852 -17.888 1.00 22.31 H new ATOM 0 HG13 VAL A 39 -9.265 2.823 -18.020 1.00 22.31 H new ATOM 0 HG21 VAL A 39 -7.526 0.510 -19.062 1.00 53.30 H new ATOM 0 HG22 VAL A 39 -7.003 1.627 -17.779 1.00 53.30 H new ATOM 0 HG23 VAL A 39 -6.999 -0.129 -17.487 1.00 53.30 H new ATOM 659 N GLU A 40 -10.811 2.115 -14.804 1.00 63.25 N ATOM 660 CA GLU A 40 -12.156 2.183 -14.250 1.00 55.11 C ATOM 661 C GLU A 40 -12.957 3.348 -14.820 1.00 63.12 C ATOM 662 O GLU A 40 -14.165 3.448 -14.594 1.00 14.20 O ATOM 663 CB GLU A 40 -12.098 2.263 -12.727 1.00 21.30 C ATOM 664 CG GLU A 40 -11.414 1.063 -12.104 1.00 3.03 C ATOM 665 CD GLU A 40 -11.744 0.903 -10.638 1.00 31.22 C ATOM 666 OE1 GLU A 40 -12.945 0.782 -10.307 1.00 44.43 O ATOM 667 OE2 GLU A 40 -10.815 0.871 -9.811 1.00 71.24 O ATOM 0 H GLU A 40 -10.223 2.924 -14.606 1.00 63.25 H new ATOM 0 HA GLU A 40 -12.674 1.269 -14.539 1.00 55.11 H new ATOM 0 HB2 GLU A 40 -11.569 3.170 -12.435 1.00 21.30 H new ATOM 0 HB3 GLU A 40 -13.111 2.344 -12.333 1.00 21.30 H new ATOM 0 HG2 GLU A 40 -11.711 0.161 -12.640 1.00 3.03 H new ATOM 0 HG3 GLU A 40 -10.335 1.163 -12.221 1.00 3.03 H new ATOM 674 N THR A 41 -12.299 4.223 -15.563 1.00 21.42 N ATOM 675 CA THR A 41 -12.985 5.333 -16.201 1.00 10.23 C ATOM 676 C THR A 41 -12.413 5.575 -17.594 1.00 70.30 C ATOM 677 O THR A 41 -11.217 5.795 -17.753 1.00 61.45 O ATOM 678 CB THR A 41 -12.867 6.617 -15.353 1.00 40.43 C ATOM 679 OG1 THR A 41 -13.270 6.341 -14.004 1.00 14.24 O ATOM 680 CG2 THR A 41 -13.733 7.735 -15.921 1.00 51.13 C ATOM 0 H THR A 41 -11.295 4.186 -15.738 1.00 21.42 H new ATOM 0 HA THR A 41 -14.040 5.074 -16.287 1.00 10.23 H new ATOM 0 HB THR A 41 -11.827 6.944 -15.373 1.00 40.43 H new ATOM 0 HG1 THR A 41 -13.193 7.157 -13.466 1.00 14.24 H new ATOM 0 HG21 THR A 41 -13.629 8.626 -15.302 1.00 51.13 H new ATOM 0 HG22 THR A 41 -13.415 7.961 -16.939 1.00 51.13 H new ATOM 0 HG23 THR A 41 -14.776 7.419 -15.929 1.00 51.13 H new ATOM 688 N VAL A 42 -13.262 5.509 -18.601 1.00 73.21 N ATOM 689 CA VAL A 42 -12.825 5.712 -19.971 1.00 41.11 C ATOM 690 C VAL A 42 -13.910 6.414 -20.782 1.00 23.52 C ATOM 691 O VAL A 42 -15.096 6.097 -20.662 1.00 71.21 O ATOM 692 CB VAL A 42 -12.424 4.373 -20.643 1.00 2.23 C ATOM 693 CG1 VAL A 42 -13.586 3.392 -20.656 1.00 64.14 C ATOM 694 CG2 VAL A 42 -11.897 4.606 -22.054 1.00 3.41 C ATOM 0 H VAL A 42 -14.258 5.317 -18.498 1.00 73.21 H new ATOM 0 HA VAL A 42 -11.941 6.349 -19.946 1.00 41.11 H new ATOM 0 HB VAL A 42 -11.622 3.933 -20.050 1.00 2.23 H new ATOM 0 HG11 VAL A 42 -13.273 2.464 -21.134 1.00 64.14 H new ATOM 0 HG12 VAL A 42 -13.900 3.186 -19.633 1.00 64.14 H new ATOM 0 HG13 VAL A 42 -14.419 3.822 -21.211 1.00 64.14 H new ATOM 0 HG21 VAL A 42 -11.623 3.651 -22.502 1.00 3.41 H new ATOM 0 HG22 VAL A 42 -12.670 5.082 -22.657 1.00 3.41 H new ATOM 0 HG23 VAL A 42 -11.020 5.252 -22.013 1.00 3.41 H new ATOM 704 N ALA A 43 -13.507 7.385 -21.586 1.00 22.42 N ATOM 705 CA ALA A 43 -14.441 8.110 -22.428 1.00 11.02 C ATOM 706 C ALA A 43 -13.796 8.440 -23.765 1.00 11.20 C ATOM 707 O ALA A 43 -12.569 8.477 -23.885 1.00 25.01 O ATOM 708 CB ALA A 43 -14.930 9.371 -21.730 1.00 35.20 C ATOM 0 H ALA A 43 -12.537 7.689 -21.672 1.00 22.42 H new ATOM 0 HA ALA A 43 -15.308 7.476 -22.613 1.00 11.02 H new ATOM 0 HB1 ALA A 43 -15.629 9.899 -22.379 1.00 35.20 H new ATOM 0 HB2 ALA A 43 -15.431 9.101 -20.800 1.00 35.20 H new ATOM 0 HB3 ALA A 43 -14.081 10.018 -21.510 1.00 35.20 H new ATOM 714 N ASP A 44 -14.622 8.672 -24.769 1.00 25.22 N ATOM 715 CA ASP A 44 -14.134 8.893 -26.120 1.00 34.32 C ATOM 716 C ASP A 44 -14.219 10.367 -26.502 1.00 5.53 C ATOM 717 O ASP A 44 -14.412 11.234 -25.650 1.00 13.50 O ATOM 718 CB ASP A 44 -14.935 8.045 -27.114 1.00 44.20 C ATOM 719 CG ASP A 44 -16.378 8.491 -27.239 1.00 2.15 C ATOM 720 OD1 ASP A 44 -17.170 8.217 -26.316 1.00 72.14 O ATOM 721 OD2 ASP A 44 -16.722 9.112 -28.266 1.00 51.14 O ATOM 0 H ASP A 44 -15.637 8.713 -24.675 1.00 25.22 H new ATOM 0 HA ASP A 44 -13.086 8.594 -26.155 1.00 34.32 H new ATOM 0 HB2 ASP A 44 -14.458 8.094 -28.093 1.00 44.20 H new ATOM 0 HB3 ASP A 44 -14.908 7.002 -26.799 1.00 44.20 H new ATOM 726 N ARG A 45 -14.093 10.632 -27.795 1.00 51.44 N ATOM 727 CA ARG A 45 -14.078 11.993 -28.331 1.00 3.13 C ATOM 728 C ARG A 45 -15.478 12.609 -28.396 1.00 73.15 C ATOM 729 O ARG A 45 -15.730 13.508 -29.200 1.00 14.41 O ATOM 730 CB ARG A 45 -13.452 11.990 -29.728 1.00 14.34 C ATOM 731 CG ARG A 45 -13.783 10.746 -30.540 1.00 53.11 C ATOM 732 CD ARG A 45 -13.807 11.033 -32.032 1.00 31.44 C ATOM 733 NE ARG A 45 -15.043 11.704 -32.428 1.00 74.21 N ATOM 734 CZ ARG A 45 -15.376 11.992 -33.685 1.00 43.33 C ATOM 735 NH1 ARG A 45 -14.545 11.734 -34.688 1.00 11.41 N ATOM 736 NH2 ARG A 45 -16.552 12.543 -33.932 1.00 62.53 N ATOM 0 H ARG A 45 -13.998 9.908 -28.508 1.00 51.44 H new ATOM 0 HA ARG A 45 -13.483 12.604 -27.652 1.00 3.13 H new ATOM 0 HB2 ARG A 45 -13.793 12.871 -30.272 1.00 14.34 H new ATOM 0 HB3 ARG A 45 -12.369 12.074 -29.632 1.00 14.34 H new ATOM 0 HG2 ARG A 45 -13.047 9.970 -30.331 1.00 53.11 H new ATOM 0 HG3 ARG A 45 -14.753 10.357 -30.229 1.00 53.11 H new ATOM 0 HD2 ARG A 45 -12.953 11.655 -32.298 1.00 31.44 H new ATOM 0 HD3 ARG A 45 -13.705 10.099 -32.585 1.00 31.44 H new ATOM 0 HE ARG A 45 -15.696 11.970 -31.691 1.00 74.21 H new ATOM 0 HH11 ARG A 45 -13.637 11.309 -34.501 1.00 11.41 H new ATOM 0 HH12 ARG A 45 -14.815 11.961 -35.645 1.00 11.41 H new ATOM 0 HH21 ARG A 45 -17.193 12.743 -33.164 1.00 62.53 H new ATOM 0 HH22 ARG A 45 -16.818 12.768 -34.890 1.00 62.53 H new ATOM 750 N ASN A 46 -16.376 12.137 -27.549 1.00 13.44 N ATOM 751 CA ASN A 46 -17.732 12.664 -27.507 1.00 43.50 C ATOM 752 C ASN A 46 -17.868 13.734 -26.429 1.00 42.22 C ATOM 753 O ASN A 46 -18.634 14.686 -26.580 1.00 41.43 O ATOM 754 CB ASN A 46 -18.737 11.535 -27.259 1.00 45.13 C ATOM 755 CG ASN A 46 -20.153 12.045 -27.066 1.00 62.45 C ATOM 756 OD1 ASN A 46 -20.876 12.289 -28.034 1.00 12.35 O ATOM 757 ND2 ASN A 46 -20.566 12.187 -25.817 1.00 34.45 N ATOM 0 H ASN A 46 -16.192 11.389 -26.880 1.00 13.44 H new ATOM 0 HA ASN A 46 -17.946 13.121 -28.473 1.00 43.50 H new ATOM 0 HB2 ASN A 46 -18.716 10.843 -28.101 1.00 45.13 H new ATOM 0 HB3 ASN A 46 -18.434 10.972 -26.376 1.00 45.13 H new ATOM 0 HD21 ASN A 46 -21.515 12.509 -25.627 1.00 34.45 H new ATOM 0 HD22 ASN A 46 -19.935 11.974 -25.044 1.00 34.45 H new ATOM 764 N ALA A 47 -17.111 13.583 -25.351 1.00 43.45 N ATOM 765 CA ALA A 47 -17.212 14.491 -24.216 1.00 64.22 C ATOM 766 C ALA A 47 -16.144 15.576 -24.281 1.00 43.40 C ATOM 767 O ALA A 47 -15.038 15.346 -24.773 1.00 30.35 O ATOM 768 CB ALA A 47 -17.106 13.717 -22.909 1.00 23.43 C ATOM 0 H ALA A 47 -16.420 12.841 -25.238 1.00 43.45 H new ATOM 0 HA ALA A 47 -18.186 14.978 -24.259 1.00 64.22 H new ATOM 0 HB1 ALA A 47 -17.183 14.408 -22.070 1.00 23.43 H new ATOM 0 HB2 ALA A 47 -17.913 12.986 -22.853 1.00 23.43 H new ATOM 0 HB3 ALA A 47 -16.146 13.202 -22.868 1.00 23.43 H new ATOM 774 N GLU A 48 -16.488 16.761 -23.790 1.00 35.32 N ATOM 775 CA GLU A 48 -15.550 17.874 -23.744 1.00 63.02 C ATOM 776 C GLU A 48 -14.688 17.793 -22.486 1.00 53.24 C ATOM 777 O GLU A 48 -14.908 16.934 -21.630 1.00 12.40 O ATOM 778 CB GLU A 48 -16.297 19.207 -23.792 1.00 63.44 C ATOM 779 CG GLU A 48 -17.257 19.417 -22.635 1.00 4.22 C ATOM 780 CD GLU A 48 -17.910 20.778 -22.678 1.00 62.30 C ATOM 781 OE1 GLU A 48 -17.239 21.767 -22.323 1.00 4.13 O ATOM 782 OE2 GLU A 48 -19.086 20.866 -23.079 1.00 32.00 O ATOM 0 H GLU A 48 -17.413 16.975 -23.417 1.00 35.32 H new ATOM 0 HA GLU A 48 -14.899 17.811 -24.616 1.00 63.02 H new ATOM 0 HB2 GLU A 48 -15.570 20.019 -23.800 1.00 63.44 H new ATOM 0 HB3 GLU A 48 -16.853 19.267 -24.728 1.00 63.44 H new ATOM 0 HG2 GLU A 48 -18.027 18.645 -22.658 1.00 4.22 H new ATOM 0 HG3 GLU A 48 -16.720 19.303 -21.694 1.00 4.22 H new ATOM 789 N TYR A 49 -13.740 18.719 -22.352 1.00 71.12 N ATOM 790 CA TYR A 49 -12.744 18.651 -21.292 1.00 25.25 C ATOM 791 C TYR A 49 -13.341 19.069 -19.956 1.00 43.22 C ATOM 792 O TYR A 49 -12.819 18.728 -18.897 1.00 44.53 O ATOM 793 CB TYR A 49 -11.542 19.537 -21.638 1.00 22.35 C ATOM 794 CG TYR A 49 -10.909 19.204 -22.973 1.00 31.01 C ATOM 795 CD1 TYR A 49 -10.023 18.142 -23.101 1.00 22.53 C ATOM 796 CD2 TYR A 49 -11.201 19.953 -24.107 1.00 42.10 C ATOM 797 CE1 TYR A 49 -9.447 17.834 -24.320 1.00 41.45 C ATOM 798 CE2 TYR A 49 -10.629 19.652 -25.329 1.00 54.54 C ATOM 799 CZ TYR A 49 -9.753 18.592 -25.430 1.00 15.03 C ATOM 800 OH TYR A 49 -9.181 18.289 -26.648 1.00 35.11 O ATOM 0 H TYR A 49 -13.643 19.526 -22.968 1.00 71.12 H new ATOM 0 HA TYR A 49 -12.408 17.618 -21.205 1.00 25.25 H new ATOM 0 HB2 TYR A 49 -11.860 20.580 -21.646 1.00 22.35 H new ATOM 0 HB3 TYR A 49 -10.791 19.439 -20.854 1.00 22.35 H new ATOM 0 HD1 TYR A 49 -9.780 17.546 -22.234 1.00 22.53 H new ATOM 0 HD2 TYR A 49 -11.886 20.784 -24.032 1.00 42.10 H new ATOM 0 HE1 TYR A 49 -8.761 17.004 -24.402 1.00 41.45 H new ATOM 0 HE2 TYR A 49 -10.867 20.244 -26.200 1.00 54.54 H new ATOM 0 HH TYR A 49 -9.503 18.919 -27.326 1.00 35.11 H new ATOM 810 N ASP A 50 -14.441 19.803 -20.015 1.00 31.45 N ATOM 811 CA ASP A 50 -15.110 20.276 -18.811 1.00 13.53 C ATOM 812 C ASP A 50 -15.767 19.130 -18.053 1.00 61.42 C ATOM 813 O ASP A 50 -15.664 19.037 -16.832 1.00 42.24 O ATOM 814 CB ASP A 50 -16.159 21.331 -19.168 1.00 4.15 C ATOM 815 CG ASP A 50 -16.835 21.920 -17.946 1.00 63.41 C ATOM 816 OD1 ASP A 50 -16.199 22.746 -17.253 1.00 12.02 O ATOM 817 OD2 ASP A 50 -18.005 21.580 -17.682 1.00 62.22 O ATOM 0 H ASP A 50 -14.891 20.085 -20.886 1.00 31.45 H new ATOM 0 HA ASP A 50 -14.354 20.722 -18.165 1.00 13.53 H new ATOM 0 HB2 ASP A 50 -15.685 22.131 -19.737 1.00 4.15 H new ATOM 0 HB3 ASP A 50 -16.913 20.883 -19.815 1.00 4.15 H new ATOM 822 N GLN A 51 -16.407 18.239 -18.792 1.00 23.24 N ATOM 823 CA GLN A 51 -17.233 17.202 -18.193 1.00 34.35 C ATOM 824 C GLN A 51 -16.415 16.098 -17.527 1.00 13.22 C ATOM 825 O GLN A 51 -16.564 15.866 -16.329 1.00 60.44 O ATOM 826 CB GLN A 51 -18.182 16.624 -19.240 1.00 63.51 C ATOM 827 CG GLN A 51 -19.373 17.529 -19.514 1.00 41.14 C ATOM 828 CD GLN A 51 -20.115 17.167 -20.784 1.00 34.42 C ATOM 829 OE1 GLN A 51 -20.106 16.016 -21.222 1.00 15.21 O ATOM 830 NE2 GLN A 51 -20.780 18.146 -21.373 1.00 14.04 N ATOM 0 H GLN A 51 -16.371 18.213 -19.811 1.00 23.24 H new ATOM 0 HA GLN A 51 -17.813 17.670 -17.397 1.00 34.35 H new ATOM 0 HB2 GLN A 51 -17.635 16.458 -20.168 1.00 63.51 H new ATOM 0 HB3 GLN A 51 -18.540 15.651 -18.903 1.00 63.51 H new ATOM 0 HG2 GLN A 51 -20.062 17.478 -18.671 1.00 41.14 H new ATOM 0 HG3 GLN A 51 -19.029 18.561 -19.583 1.00 41.14 H new ATOM 0 HE21 GLN A 51 -20.761 19.086 -20.977 1.00 14.04 H new ATOM 0 HE22 GLN A 51 -21.312 17.962 -22.223 1.00 14.04 H new ATOM 839 N PHE A 52 -15.542 15.429 -18.277 1.00 2.32 N ATOM 840 CA PHE A 52 -14.832 14.270 -17.730 1.00 45.32 C ATOM 841 C PHE A 52 -13.867 14.687 -16.621 1.00 54.40 C ATOM 842 O PHE A 52 -13.586 13.912 -15.708 1.00 3.33 O ATOM 843 CB PHE A 52 -14.092 13.484 -18.828 1.00 33.25 C ATOM 844 CG PHE A 52 -12.846 14.139 -19.361 1.00 5.21 C ATOM 845 CD1 PHE A 52 -11.615 13.904 -18.766 1.00 41.10 C ATOM 846 CD2 PHE A 52 -12.901 14.969 -20.467 1.00 12.33 C ATOM 847 CE1 PHE A 52 -10.466 14.488 -19.263 1.00 11.25 C ATOM 848 CE2 PHE A 52 -11.756 15.557 -20.966 1.00 21.54 C ATOM 849 CZ PHE A 52 -10.537 15.316 -20.364 1.00 30.22 C ATOM 0 H PHE A 52 -15.311 15.660 -19.243 1.00 2.32 H new ATOM 0 HA PHE A 52 -15.583 13.608 -17.299 1.00 45.32 H new ATOM 0 HB2 PHE A 52 -13.826 12.503 -18.433 1.00 33.25 H new ATOM 0 HB3 PHE A 52 -14.779 13.318 -19.658 1.00 33.25 H new ATOM 0 HD1 PHE A 52 -11.554 13.257 -17.904 1.00 41.10 H new ATOM 0 HD2 PHE A 52 -13.851 15.159 -20.945 1.00 12.33 H new ATOM 0 HE1 PHE A 52 -9.514 14.297 -18.790 1.00 11.25 H new ATOM 0 HE2 PHE A 52 -11.814 16.206 -21.828 1.00 21.54 H new ATOM 0 HZ PHE A 52 -9.641 15.775 -20.754 1.00 30.22 H new ATOM 859 N LEU A 53 -13.376 15.919 -16.697 1.00 31.53 N ATOM 860 CA LEU A 53 -12.470 16.443 -15.685 1.00 31.23 C ATOM 861 C LEU A 53 -13.240 16.696 -14.390 1.00 72.35 C ATOM 862 O LEU A 53 -12.749 16.432 -13.296 1.00 71.21 O ATOM 863 CB LEU A 53 -11.818 17.738 -16.191 1.00 73.44 C ATOM 864 CG LEU A 53 -10.401 18.036 -15.678 1.00 40.01 C ATOM 865 CD1 LEU A 53 -10.394 18.272 -14.177 1.00 34.14 C ATOM 866 CD2 LEU A 53 -9.452 16.905 -16.044 1.00 14.23 C ATOM 0 H LEU A 53 -13.591 16.573 -17.450 1.00 31.53 H new ATOM 0 HA LEU A 53 -11.683 15.715 -15.487 1.00 31.23 H new ATOM 0 HB2 LEU A 53 -11.786 17.701 -17.280 1.00 73.44 H new ATOM 0 HB3 LEU A 53 -12.463 18.574 -15.919 1.00 73.44 H new ATOM 0 HG LEU A 53 -10.057 18.951 -16.161 1.00 40.01 H new ATOM 0 HD11 LEU A 53 -9.376 18.480 -13.846 1.00 34.14 H new ATOM 0 HD12 LEU A 53 -11.034 19.122 -13.939 1.00 34.14 H new ATOM 0 HD13 LEU A 53 -10.767 17.384 -13.667 1.00 34.14 H new ATOM 0 HD21 LEU A 53 -8.453 17.134 -15.673 1.00 14.23 H new ATOM 0 HD22 LEU A 53 -9.803 15.976 -15.594 1.00 14.23 H new ATOM 0 HD23 LEU A 53 -9.419 16.794 -17.128 1.00 14.23 H new ATOM 878 N GLU A 54 -14.463 17.188 -14.527 1.00 15.44 N ATOM 879 CA GLU A 54 -15.285 17.527 -13.376 1.00 23.14 C ATOM 880 C GLU A 54 -15.872 16.272 -12.733 1.00 40.34 C ATOM 881 O GLU A 54 -15.903 16.152 -11.510 1.00 53.11 O ATOM 882 CB GLU A 54 -16.409 18.473 -13.797 1.00 10.41 C ATOM 883 CG GLU A 54 -17.157 19.095 -12.631 1.00 50.25 C ATOM 884 CD GLU A 54 -16.263 19.959 -11.768 1.00 72.53 C ATOM 885 OE1 GLU A 54 -15.806 21.016 -12.252 1.00 41.44 O ATOM 886 OE2 GLU A 54 -16.023 19.595 -10.597 1.00 44.02 O ATOM 0 H GLU A 54 -14.909 17.362 -15.428 1.00 15.44 H new ATOM 0 HA GLU A 54 -14.653 18.024 -12.640 1.00 23.14 H new ATOM 0 HB2 GLU A 54 -15.990 19.268 -14.413 1.00 10.41 H new ATOM 0 HB3 GLU A 54 -17.117 17.926 -14.420 1.00 10.41 H new ATOM 0 HG2 GLU A 54 -17.982 19.697 -13.012 1.00 50.25 H new ATOM 0 HG3 GLU A 54 -17.594 18.305 -12.020 1.00 50.25 H new ATOM 893 N ASP A 55 -16.314 15.333 -13.566 1.00 71.14 N ATOM 894 CA ASP A 55 -16.992 14.128 -13.087 1.00 53.33 C ATOM 895 C ASP A 55 -16.110 13.340 -12.125 1.00 52.31 C ATOM 896 O ASP A 55 -16.562 12.905 -11.062 1.00 51.11 O ATOM 897 CB ASP A 55 -17.396 13.237 -14.266 1.00 13.11 C ATOM 898 CG ASP A 55 -18.156 11.997 -13.826 1.00 52.32 C ATOM 899 OD1 ASP A 55 -17.515 10.962 -13.565 1.00 23.42 O ATOM 900 OD2 ASP A 55 -19.402 12.053 -13.750 1.00 23.04 O ATOM 0 H ASP A 55 -16.215 15.383 -14.580 1.00 71.14 H new ATOM 0 HA ASP A 55 -17.887 14.444 -12.551 1.00 53.33 H new ATOM 0 HB2 ASP A 55 -18.014 13.812 -14.956 1.00 13.11 H new ATOM 0 HB3 ASP A 55 -16.502 12.936 -14.813 1.00 13.11 H new ATOM 905 N ILE A 56 -14.842 13.188 -12.485 1.00 41.50 N ATOM 906 CA ILE A 56 -13.917 12.398 -11.687 1.00 12.24 C ATOM 907 C ILE A 56 -13.578 13.098 -10.365 1.00 32.32 C ATOM 908 O ILE A 56 -13.399 12.441 -9.336 1.00 44.30 O ATOM 909 CB ILE A 56 -12.618 12.074 -12.476 1.00 32.23 C ATOM 910 CG1 ILE A 56 -11.717 11.125 -11.677 1.00 24.43 C ATOM 911 CG2 ILE A 56 -11.866 13.346 -12.844 1.00 75.10 C ATOM 912 CD1 ILE A 56 -12.330 9.759 -11.432 1.00 34.33 C ATOM 0 H ILE A 56 -14.432 13.601 -13.323 1.00 41.50 H new ATOM 0 HA ILE A 56 -14.418 11.458 -11.456 1.00 12.24 H new ATOM 0 HB ILE A 56 -12.907 11.575 -13.401 1.00 32.23 H new ATOM 0 HG12 ILE A 56 -10.774 11.000 -12.210 1.00 24.43 H new ATOM 0 HG13 ILE A 56 -11.482 11.585 -10.717 1.00 24.43 H new ATOM 0 HG21 ILE A 56 -10.962 13.088 -13.395 1.00 75.10 H new ATOM 0 HG22 ILE A 56 -12.501 13.978 -13.465 1.00 75.10 H new ATOM 0 HG23 ILE A 56 -11.596 13.885 -11.936 1.00 75.10 H new ATOM 0 HD11 ILE A 56 -11.634 9.145 -10.861 1.00 34.33 H new ATOM 0 HD12 ILE A 56 -13.258 9.872 -10.871 1.00 34.33 H new ATOM 0 HD13 ILE A 56 -12.540 9.278 -12.387 1.00 34.33 H new ATOM 924 N GLN A 57 -13.521 14.427 -10.375 1.00 22.44 N ATOM 925 CA GLN A 57 -13.136 15.158 -9.175 1.00 74.14 C ATOM 926 C GLN A 57 -14.329 15.416 -8.260 1.00 42.44 C ATOM 927 O GLN A 57 -14.160 15.560 -7.052 1.00 25.42 O ATOM 928 CB GLN A 57 -12.433 16.473 -9.524 1.00 64.00 C ATOM 929 CG GLN A 57 -13.279 17.454 -10.319 1.00 64.12 C ATOM 930 CD GLN A 57 -12.555 18.763 -10.575 1.00 2.13 C ATOM 931 OE1 GLN A 57 -11.332 18.801 -10.672 1.00 62.03 O ATOM 932 NE2 GLN A 57 -13.304 19.848 -10.688 1.00 71.11 N ATOM 0 H GLN A 57 -13.732 15.009 -11.185 1.00 22.44 H new ATOM 0 HA GLN A 57 -12.432 14.527 -8.633 1.00 74.14 H new ATOM 0 HB2 GLN A 57 -12.114 16.955 -8.600 1.00 64.00 H new ATOM 0 HB3 GLN A 57 -11.531 16.247 -10.093 1.00 64.00 H new ATOM 0 HG2 GLN A 57 -13.556 17.002 -11.272 1.00 64.12 H new ATOM 0 HG3 GLN A 57 -14.205 17.653 -9.779 1.00 64.12 H new ATOM 0 HE21 GLN A 57 -14.318 19.779 -10.602 1.00 71.11 H new ATOM 0 HE22 GLN A 57 -12.867 20.753 -10.861 1.00 71.11 H new ATOM 941 N LYS A 58 -15.533 15.469 -8.821 1.00 4.44 N ATOM 942 CA LYS A 58 -16.727 15.659 -8.003 1.00 74.14 C ATOM 943 C LYS A 58 -17.049 14.378 -7.243 1.00 53.13 C ATOM 944 O LYS A 58 -17.671 14.410 -6.180 1.00 54.25 O ATOM 945 CB LYS A 58 -17.927 16.118 -8.856 1.00 62.13 C ATOM 946 CG LYS A 58 -18.416 15.115 -9.901 1.00 61.22 C ATOM 947 CD LYS A 58 -19.370 14.084 -9.311 1.00 14.42 C ATOM 948 CE LYS A 58 -19.805 13.064 -10.351 1.00 5.23 C ATOM 949 NZ LYS A 58 -20.757 12.069 -9.792 1.00 64.55 N ATOM 0 H LYS A 58 -15.708 15.385 -9.822 1.00 4.44 H new ATOM 0 HA LYS A 58 -16.526 16.450 -7.281 1.00 74.14 H new ATOM 0 HB2 LYS A 58 -18.756 16.353 -8.188 1.00 62.13 H new ATOM 0 HB3 LYS A 58 -17.656 17.043 -9.365 1.00 62.13 H new ATOM 0 HG2 LYS A 58 -18.916 15.650 -10.708 1.00 61.22 H new ATOM 0 HG3 LYS A 58 -17.559 14.604 -10.340 1.00 61.22 H new ATOM 0 HD2 LYS A 58 -18.885 13.573 -8.480 1.00 14.42 H new ATOM 0 HD3 LYS A 58 -20.247 14.589 -8.906 1.00 14.42 H new ATOM 0 HE2 LYS A 58 -20.271 13.579 -11.191 1.00 5.23 H new ATOM 0 HE3 LYS A 58 -18.928 12.547 -10.741 1.00 5.23 H new ATOM 0 HZ1 LYS A 58 -21.028 11.393 -10.534 1.00 64.55 H new ATOM 0 HZ2 LYS A 58 -20.305 11.559 -9.007 1.00 64.55 H new ATOM 0 HZ3 LYS A 58 -21.606 12.558 -9.443 1.00 64.55 H new ATOM 963 N CYS A 59 -16.611 13.252 -7.796 1.00 32.43 N ATOM 964 CA CYS A 59 -16.818 11.960 -7.164 1.00 4.41 C ATOM 965 C CYS A 59 -15.833 11.783 -6.014 1.00 22.32 C ATOM 966 O CYS A 59 -16.195 11.316 -4.934 1.00 73.23 O ATOM 967 CB CYS A 59 -16.649 10.837 -8.193 1.00 12.24 C ATOM 968 SG CYS A 59 -17.055 9.190 -7.572 1.00 32.24 S ATOM 0 H CYS A 59 -16.109 13.211 -8.683 1.00 32.43 H new ATOM 0 HA CYS A 59 -17.832 11.915 -6.767 1.00 4.41 H new ATOM 0 HB2 CYS A 59 -17.280 11.053 -9.055 1.00 12.24 H new ATOM 0 HB3 CYS A 59 -15.617 10.835 -8.545 1.00 12.24 H new ATOM 0 HG CYS A 59 -16.881 8.315 -8.517 1.00 32.24 H new ATOM 974 N GLY A 60 -14.595 12.196 -6.245 1.00 3.52 N ATOM 975 CA GLY A 60 -13.577 12.092 -5.224 1.00 71.41 C ATOM 976 C GLY A 60 -12.445 13.065 -5.461 1.00 2.00 C ATOM 977 O GLY A 60 -11.565 12.802 -6.277 1.00 35.52 O ATOM 0 H GLY A 60 -14.278 12.602 -7.125 1.00 3.52 H new ATOM 0 HA2 GLY A 60 -14.021 12.282 -4.247 1.00 71.41 H new ATOM 0 HA3 GLY A 60 -13.185 11.075 -5.204 1.00 71.41 H new ATOM 981 N PRO A 61 -12.457 14.222 -4.784 1.00 43.45 N ATOM 982 CA PRO A 61 -11.406 15.230 -4.929 1.00 11.23 C ATOM 983 C PRO A 61 -10.054 14.713 -4.449 1.00 62.20 C ATOM 984 O PRO A 61 -9.077 14.714 -5.198 1.00 2.30 O ATOM 985 CB PRO A 61 -11.882 16.393 -4.048 1.00 74.35 C ATOM 986 CG PRO A 61 -13.335 16.142 -3.821 1.00 74.11 C ATOM 987 CD PRO A 61 -13.502 14.650 -3.843 1.00 23.22 C ATOM 0 HA PRO A 61 -11.257 15.515 -5.971 1.00 11.23 H new ATOM 0 HB2 PRO A 61 -11.335 16.422 -3.105 1.00 74.35 H new ATOM 0 HB3 PRO A 61 -11.720 17.352 -4.540 1.00 74.35 H new ATOM 0 HG2 PRO A 61 -13.659 16.557 -2.867 1.00 74.11 H new ATOM 0 HG3 PRO A 61 -13.939 16.614 -4.596 1.00 74.11 H new ATOM 0 HD2 PRO A 61 -13.361 14.212 -2.855 1.00 23.22 H new ATOM 0 HD3 PRO A 61 -14.496 14.359 -4.182 1.00 23.22 H new ATOM 995 N GLY A 62 -10.014 14.247 -3.205 1.00 32.34 N ATOM 996 CA GLY A 62 -8.776 13.756 -2.632 1.00 11.14 C ATOM 997 C GLY A 62 -8.529 12.290 -2.932 1.00 32.55 C ATOM 998 O GLY A 62 -8.365 11.481 -2.020 1.00 64.45 O ATOM 0 H GLY A 62 -10.820 14.201 -2.582 1.00 32.34 H new ATOM 0 HA2 GLY A 62 -7.944 14.346 -3.017 1.00 11.14 H new ATOM 0 HA3 GLY A 62 -8.798 13.902 -1.552 1.00 11.14 H new ATOM 1002 N GLU A 63 -8.508 11.945 -4.211 1.00 31.15 N ATOM 1003 CA GLU A 63 -8.190 10.587 -4.626 1.00 12.24 C ATOM 1004 C GLU A 63 -7.040 10.584 -5.612 1.00 51.53 C ATOM 1005 O GLU A 63 -6.566 11.637 -6.038 1.00 52.05 O ATOM 1006 CB GLU A 63 -9.380 9.889 -5.275 1.00 32.21 C ATOM 1007 CG GLU A 63 -10.483 9.492 -4.319 1.00 4.43 C ATOM 1008 CD GLU A 63 -11.410 8.472 -4.945 1.00 4.31 C ATOM 1009 OE1 GLU A 63 -12.159 8.835 -5.874 1.00 22.05 O ATOM 1010 OE2 GLU A 63 -11.378 7.294 -4.521 1.00 15.41 O ATOM 0 H GLU A 63 -8.707 12.586 -4.979 1.00 31.15 H new ATOM 0 HA GLU A 63 -7.916 10.045 -3.721 1.00 12.24 H new ATOM 0 HB2 GLU A 63 -9.798 10.547 -6.036 1.00 32.21 H new ATOM 0 HB3 GLU A 63 -9.024 8.995 -5.787 1.00 32.21 H new ATOM 0 HG2 GLU A 63 -10.048 9.081 -3.408 1.00 4.43 H new ATOM 0 HG3 GLU A 63 -11.052 10.375 -4.030 1.00 4.43 H new ATOM 1017 N CYS A 64 -6.621 9.392 -5.993 1.00 0.24 N ATOM 1018 CA CYS A 64 -5.519 9.225 -6.913 1.00 41.04 C ATOM 1019 C CYS A 64 -5.975 8.462 -8.152 1.00 65.21 C ATOM 1020 O CYS A 64 -6.644 7.432 -8.043 1.00 75.11 O ATOM 1021 CB CYS A 64 -4.391 8.476 -6.213 1.00 34.55 C ATOM 1022 SG CYS A 64 -4.900 6.881 -5.530 1.00 64.40 S ATOM 0 H CYS A 64 -7.035 8.517 -5.673 1.00 0.24 H new ATOM 0 HA CYS A 64 -5.160 10.204 -7.230 1.00 41.04 H new ATOM 0 HB2 CYS A 64 -3.577 8.316 -6.921 1.00 34.55 H new ATOM 0 HB3 CYS A 64 -3.997 9.098 -5.409 1.00 34.55 H new ATOM 0 HG CYS A 64 -4.141 6.580 -4.518 1.00 64.40 H new ATOM 1028 N ARG A 65 -5.623 8.973 -9.322 1.00 72.02 N ATOM 1029 CA ARG A 65 -5.974 8.328 -10.581 1.00 52.01 C ATOM 1030 C ARG A 65 -5.002 8.750 -11.675 1.00 52.23 C ATOM 1031 O ARG A 65 -4.374 9.803 -11.582 1.00 41.15 O ATOM 1032 CB ARG A 65 -7.418 8.654 -11.004 1.00 32.32 C ATOM 1033 CG ARG A 65 -7.688 10.132 -11.269 1.00 25.30 C ATOM 1034 CD ARG A 65 -7.947 10.905 -9.986 1.00 44.13 C ATOM 1035 NE ARG A 65 -9.145 10.435 -9.295 1.00 25.13 N ATOM 1036 CZ ARG A 65 -9.877 11.189 -8.476 1.00 24.10 C ATOM 1037 NH1 ARG A 65 -9.525 12.446 -8.225 1.00 10.13 N ATOM 1038 NH2 ARG A 65 -10.958 10.685 -7.896 1.00 55.33 N ATOM 0 H ARG A 65 -5.092 9.837 -9.427 1.00 72.02 H new ATOM 0 HA ARG A 65 -5.906 7.250 -10.431 1.00 52.01 H new ATOM 0 HB2 ARG A 65 -7.654 8.088 -11.905 1.00 32.32 H new ATOM 0 HB3 ARG A 65 -8.097 8.309 -10.224 1.00 32.32 H new ATOM 0 HG2 ARG A 65 -6.835 10.568 -11.789 1.00 25.30 H new ATOM 0 HG3 ARG A 65 -8.549 10.230 -11.931 1.00 25.30 H new ATOM 0 HD2 ARG A 65 -7.086 10.808 -9.325 1.00 44.13 H new ATOM 0 HD3 ARG A 65 -8.054 11.965 -10.217 1.00 44.13 H new ATOM 0 HE ARG A 65 -9.439 9.471 -9.449 1.00 25.13 H new ATOM 0 HH11 ARG A 65 -8.690 12.838 -8.660 1.00 10.13 H new ATOM 0 HH12 ARG A 65 -10.090 13.018 -7.597 1.00 10.13 H new ATOM 0 HH21 ARG A 65 -11.230 9.719 -8.077 1.00 55.33 H new ATOM 0 HH22 ARG A 65 -11.517 11.264 -7.269 1.00 55.33 H new ATOM 1052 N TYR A 66 -4.902 7.942 -12.717 1.00 54.32 N ATOM 1053 CA TYR A 66 -3.957 8.202 -13.794 1.00 73.22 C ATOM 1054 C TYR A 66 -4.718 8.632 -15.038 1.00 44.51 C ATOM 1055 O TYR A 66 -5.807 8.128 -15.302 1.00 4.44 O ATOM 1056 CB TYR A 66 -3.143 6.950 -14.135 1.00 0.32 C ATOM 1057 CG TYR A 66 -2.778 6.066 -12.960 1.00 10.52 C ATOM 1058 CD1 TYR A 66 -3.709 5.194 -12.413 1.00 2.41 C ATOM 1059 CD2 TYR A 66 -1.497 6.072 -12.423 1.00 11.20 C ATOM 1060 CE1 TYR A 66 -3.385 4.361 -11.367 1.00 15.13 C ATOM 1061 CE2 TYR A 66 -1.160 5.231 -11.376 1.00 25.11 C ATOM 1062 CZ TYR A 66 -2.112 4.379 -10.853 1.00 33.32 C ATOM 1063 OH TYR A 66 -1.792 3.539 -9.817 1.00 23.31 O ATOM 0 H TYR A 66 -5.463 7.099 -12.842 1.00 54.32 H new ATOM 0 HA TYR A 66 -3.277 8.987 -13.463 1.00 73.22 H new ATOM 0 HB2 TYR A 66 -3.708 6.355 -14.852 1.00 0.32 H new ATOM 0 HB3 TYR A 66 -2.224 7.260 -14.632 1.00 0.32 H new ATOM 0 HD1 TYR A 66 -4.710 5.169 -12.817 1.00 2.41 H new ATOM 0 HD2 TYR A 66 -0.753 6.742 -12.828 1.00 11.20 H new ATOM 0 HE1 TYR A 66 -4.128 3.696 -10.952 1.00 15.13 H new ATOM 0 HE2 TYR A 66 -0.159 5.241 -10.971 1.00 25.11 H new ATOM 0 HH TYR A 66 -1.052 3.922 -9.302 1.00 23.31 H new ATOM 1073 N GLY A 67 -4.153 9.552 -15.799 1.00 72.33 N ATOM 1074 CA GLY A 67 -4.804 9.986 -17.016 1.00 71.30 C ATOM 1075 C GLY A 67 -3.883 9.929 -18.217 1.00 41.42 C ATOM 1076 O GLY A 67 -2.980 10.754 -18.344 1.00 5.32 O ATOM 0 H GLY A 67 -3.261 10.005 -15.599 1.00 72.33 H new ATOM 0 HA2 GLY A 67 -5.677 9.360 -17.201 1.00 71.30 H new ATOM 0 HA3 GLY A 67 -5.166 11.006 -16.887 1.00 71.30 H new ATOM 1080 N LEU A 68 -4.101 8.951 -19.088 1.00 34.24 N ATOM 1081 CA LEU A 68 -3.335 8.842 -20.324 1.00 12.15 C ATOM 1082 C LEU A 68 -4.187 9.385 -21.466 1.00 23.20 C ATOM 1083 O LEU A 68 -5.272 8.868 -21.743 1.00 40.15 O ATOM 1084 CB LEU A 68 -2.919 7.377 -20.577 1.00 52.44 C ATOM 1085 CG LEU A 68 -1.809 7.146 -21.618 1.00 35.40 C ATOM 1086 CD1 LEU A 68 -2.308 7.386 -23.035 1.00 74.45 C ATOM 1087 CD2 LEU A 68 -0.615 8.036 -21.323 1.00 23.11 C ATOM 0 H LEU A 68 -4.802 8.221 -18.961 1.00 34.24 H new ATOM 0 HA LEU A 68 -2.417 9.426 -20.251 1.00 12.15 H new ATOM 0 HB2 LEU A 68 -2.593 6.947 -19.630 1.00 52.44 H new ATOM 0 HB3 LEU A 68 -3.802 6.821 -20.892 1.00 52.44 H new ATOM 0 HG LEU A 68 -1.502 6.102 -21.547 1.00 35.40 H new ATOM 0 HD11 LEU A 68 -1.496 7.213 -23.741 1.00 74.45 H new ATOM 0 HD12 LEU A 68 -3.129 6.703 -23.252 1.00 74.45 H new ATOM 0 HD13 LEU A 68 -2.657 8.414 -23.129 1.00 74.45 H new ATOM 0 HD21 LEU A 68 0.162 7.861 -22.068 1.00 23.11 H new ATOM 0 HD22 LEU A 68 -0.923 9.081 -21.358 1.00 23.11 H new ATOM 0 HD23 LEU A 68 -0.225 7.805 -20.331 1.00 23.11 H new ATOM 1099 N PHE A 69 -3.701 10.435 -22.108 1.00 60.41 N ATOM 1100 CA PHE A 69 -4.484 11.155 -23.099 1.00 14.41 C ATOM 1101 C PHE A 69 -3.718 11.285 -24.413 1.00 15.42 C ATOM 1102 O PHE A 69 -2.635 11.865 -24.443 1.00 43.33 O ATOM 1103 CB PHE A 69 -4.801 12.550 -22.552 1.00 70.54 C ATOM 1104 CG PHE A 69 -6.037 13.197 -23.120 1.00 73.12 C ATOM 1105 CD1 PHE A 69 -6.493 12.883 -24.390 1.00 75.34 C ATOM 1106 CD2 PHE A 69 -6.742 14.127 -22.373 1.00 12.04 C ATOM 1107 CE1 PHE A 69 -7.625 13.482 -24.903 1.00 72.44 C ATOM 1108 CE2 PHE A 69 -7.876 14.731 -22.881 1.00 21.41 C ATOM 1109 CZ PHE A 69 -8.318 14.408 -24.149 1.00 23.14 C ATOM 0 H PHE A 69 -2.764 10.809 -21.960 1.00 60.41 H new ATOM 0 HA PHE A 69 -5.403 10.603 -23.295 1.00 14.41 H new ATOM 0 HB2 PHE A 69 -4.911 12.482 -21.470 1.00 70.54 H new ATOM 0 HB3 PHE A 69 -3.948 13.201 -22.745 1.00 70.54 H new ATOM 0 HD1 PHE A 69 -5.956 12.160 -24.986 1.00 75.34 H new ATOM 0 HD2 PHE A 69 -6.401 14.383 -21.381 1.00 12.04 H new ATOM 0 HE1 PHE A 69 -7.969 13.227 -25.894 1.00 72.44 H new ATOM 0 HE2 PHE A 69 -8.416 15.454 -22.288 1.00 21.41 H new ATOM 0 HZ PHE A 69 -9.204 14.879 -24.550 1.00 23.14 H new ATOM 1119 N ASP A 70 -4.277 10.739 -25.485 1.00 10.23 N ATOM 1120 CA ASP A 70 -3.737 10.958 -26.824 1.00 43.23 C ATOM 1121 C ASP A 70 -4.662 11.890 -27.582 1.00 24.54 C ATOM 1122 O ASP A 70 -5.742 11.489 -28.026 1.00 61.42 O ATOM 1123 CB ASP A 70 -3.584 9.643 -27.599 1.00 14.12 C ATOM 1124 CG ASP A 70 -3.045 9.852 -29.011 1.00 70.23 C ATOM 1125 OD1 ASP A 70 -3.828 10.231 -29.914 1.00 63.40 O ATOM 1126 OD2 ASP A 70 -1.840 9.635 -29.229 1.00 34.34 O ATOM 0 H ASP A 70 -5.103 10.142 -25.456 1.00 10.23 H new ATOM 0 HA ASP A 70 -2.746 11.400 -26.725 1.00 43.23 H new ATOM 0 HB2 ASP A 70 -2.913 8.980 -27.053 1.00 14.12 H new ATOM 0 HB3 ASP A 70 -4.551 9.143 -27.654 1.00 14.12 H new ATOM 1131 N PHE A 71 -4.270 13.141 -27.708 1.00 74.34 N ATOM 1132 CA PHE A 71 -5.112 14.099 -28.387 1.00 72.04 C ATOM 1133 C PHE A 71 -4.331 14.919 -29.394 1.00 22.24 C ATOM 1134 O PHE A 71 -3.173 15.286 -29.173 1.00 60.31 O ATOM 1135 CB PHE A 71 -5.836 15.013 -27.390 1.00 73.13 C ATOM 1136 CG PHE A 71 -4.937 15.882 -26.555 1.00 1.42 C ATOM 1137 CD1 PHE A 71 -4.338 15.387 -25.410 1.00 1.34 C ATOM 1138 CD2 PHE A 71 -4.703 17.201 -26.912 1.00 1.23 C ATOM 1139 CE1 PHE A 71 -3.522 16.188 -24.638 1.00 75.40 C ATOM 1140 CE2 PHE A 71 -3.888 18.007 -26.142 1.00 55.45 C ATOM 1141 CZ PHE A 71 -3.296 17.499 -25.005 1.00 23.05 C ATOM 0 H PHE A 71 -3.388 13.512 -27.355 1.00 74.34 H new ATOM 0 HA PHE A 71 -5.864 13.530 -28.934 1.00 72.04 H new ATOM 0 HB2 PHE A 71 -6.525 15.653 -27.941 1.00 73.13 H new ATOM 0 HB3 PHE A 71 -6.438 14.395 -26.725 1.00 73.13 H new ATOM 0 HD1 PHE A 71 -4.511 14.362 -25.117 1.00 1.34 H new ATOM 0 HD2 PHE A 71 -5.163 17.603 -27.803 1.00 1.23 H new ATOM 0 HE1 PHE A 71 -3.060 15.789 -23.747 1.00 75.40 H new ATOM 0 HE2 PHE A 71 -3.715 19.033 -26.430 1.00 55.45 H new ATOM 0 HZ PHE A 71 -2.656 18.126 -24.402 1.00 23.05 H new ATOM 1151 N GLU A 72 -4.984 15.178 -30.506 1.00 1.32 N ATOM 1152 CA GLU A 72 -4.455 16.033 -31.539 1.00 24.33 C ATOM 1153 C GLU A 72 -4.891 17.464 -31.268 1.00 13.13 C ATOM 1154 O GLU A 72 -6.073 17.799 -31.353 1.00 23.24 O ATOM 1155 CB GLU A 72 -4.916 15.560 -32.931 1.00 5.43 C ATOM 1156 CG GLU A 72 -6.416 15.282 -33.061 1.00 12.32 C ATOM 1157 CD GLU A 72 -6.862 14.033 -32.322 1.00 60.42 C ATOM 1158 OE1 GLU A 72 -6.723 12.928 -32.877 1.00 64.31 O ATOM 1159 OE2 GLU A 72 -7.329 14.152 -31.165 1.00 24.23 O ATOM 0 H GLU A 72 -5.906 14.796 -30.718 1.00 1.32 H new ATOM 0 HA GLU A 72 -3.366 15.986 -31.529 1.00 24.33 H new ATOM 0 HB2 GLU A 72 -4.638 16.317 -33.665 1.00 5.43 H new ATOM 0 HB3 GLU A 72 -4.371 14.652 -33.188 1.00 5.43 H new ATOM 0 HG2 GLU A 72 -6.972 16.139 -32.680 1.00 12.32 H new ATOM 0 HG3 GLU A 72 -6.670 15.181 -34.116 1.00 12.32 H new ATOM 1166 N TYR A 73 -3.935 18.295 -30.904 1.00 45.11 N ATOM 1167 CA TYR A 73 -4.231 19.658 -30.505 1.00 55.23 C ATOM 1168 C TYR A 73 -3.594 20.631 -31.480 1.00 53.25 C ATOM 1169 O TYR A 73 -2.404 20.530 -31.776 1.00 65.01 O ATOM 1170 CB TYR A 73 -3.709 19.900 -29.086 1.00 51.23 C ATOM 1171 CG TYR A 73 -4.434 20.993 -28.327 1.00 72.21 C ATOM 1172 CD1 TYR A 73 -5.791 21.222 -28.523 1.00 4.45 C ATOM 1173 CD2 TYR A 73 -3.764 21.784 -27.402 1.00 64.24 C ATOM 1174 CE1 TYR A 73 -6.458 22.208 -27.821 1.00 33.14 C ATOM 1175 CE2 TYR A 73 -4.425 22.769 -26.693 1.00 2.31 C ATOM 1176 CZ TYR A 73 -5.771 22.977 -26.906 1.00 23.12 C ATOM 1177 OH TYR A 73 -6.433 23.959 -26.201 1.00 31.22 O ATOM 0 H TYR A 73 -2.945 18.051 -30.876 1.00 45.11 H new ATOM 0 HA TYR A 73 -5.310 19.815 -30.515 1.00 55.23 H new ATOM 0 HB2 TYR A 73 -3.785 18.971 -28.521 1.00 51.23 H new ATOM 0 HB3 TYR A 73 -2.650 20.154 -29.140 1.00 51.23 H new ATOM 0 HD1 TYR A 73 -6.333 20.619 -29.236 1.00 4.45 H new ATOM 0 HD2 TYR A 73 -2.709 21.626 -27.234 1.00 64.24 H new ATOM 0 HE1 TYR A 73 -7.512 22.375 -27.988 1.00 33.14 H new ATOM 0 HE2 TYR A 73 -3.890 23.373 -25.975 1.00 2.31 H new ATOM 0 HH TYR A 73 -5.782 24.586 -25.823 1.00 31.22 H new ATOM 1187 N MET A 74 -4.386 21.564 -31.982 1.00 20.15 N ATOM 1188 CA MET A 74 -3.888 22.537 -32.942 1.00 61.41 C ATOM 1189 C MET A 74 -3.348 23.770 -32.229 1.00 3.45 C ATOM 1190 O MET A 74 -4.101 24.568 -31.675 1.00 31.13 O ATOM 1191 CB MET A 74 -4.983 22.917 -33.951 1.00 11.11 C ATOM 1192 CG MET A 74 -6.271 23.424 -33.320 1.00 62.32 C ATOM 1193 SD MET A 74 -7.600 23.644 -34.520 1.00 12.14 S ATOM 1194 CE MET A 74 -6.882 24.866 -35.612 1.00 24.33 C ATOM 0 H MET A 74 -5.372 21.669 -31.743 1.00 20.15 H new ATOM 0 HA MET A 74 -3.066 22.082 -33.495 1.00 61.41 H new ATOM 0 HB2 MET A 74 -4.593 23.685 -34.619 1.00 11.11 H new ATOM 0 HB3 MET A 74 -5.212 22.046 -34.565 1.00 11.11 H new ATOM 0 HG2 MET A 74 -6.594 22.722 -32.552 1.00 62.32 H new ATOM 0 HG3 MET A 74 -6.077 24.374 -32.822 1.00 62.32 H new ATOM 0 HE1 MET A 74 -7.660 25.286 -36.250 1.00 24.33 H new ATOM 0 HE2 MET A 74 -6.430 25.662 -35.020 1.00 24.33 H new ATOM 0 HE3 MET A 74 -6.119 24.396 -36.232 1.00 24.33 H new ATOM 1204 N HIS A 75 -2.032 23.903 -32.218 1.00 3.41 N ATOM 1205 CA HIS A 75 -1.391 25.040 -31.579 1.00 34.20 C ATOM 1206 C HIS A 75 -0.820 25.986 -32.625 1.00 25.04 C ATOM 1207 O HIS A 75 0.001 25.587 -33.453 1.00 33.02 O ATOM 1208 CB HIS A 75 -0.281 24.571 -30.635 1.00 13.33 C ATOM 1209 CG HIS A 75 -0.500 24.965 -29.208 1.00 72.23 C ATOM 1210 ND1 HIS A 75 0.218 25.958 -28.580 1.00 32.40 N ATOM 1211 CD2 HIS A 75 -1.366 24.488 -28.281 1.00 44.32 C ATOM 1212 CE1 HIS A 75 -0.193 26.073 -27.332 1.00 71.23 C ATOM 1213 NE2 HIS A 75 -1.155 25.195 -27.123 1.00 44.33 N ATOM 0 H HIS A 75 -1.387 23.238 -32.644 1.00 3.41 H new ATOM 0 HA HIS A 75 -2.143 25.573 -30.997 1.00 34.20 H new ATOM 0 HB2 HIS A 75 -0.200 23.486 -30.695 1.00 13.33 H new ATOM 0 HB3 HIS A 75 0.670 24.981 -30.974 1.00 13.33 H new ATOM 0 HD2 HIS A 75 -2.088 23.698 -28.426 1.00 44.32 H new ATOM 0 HE1 HIS A 75 0.194 26.770 -26.603 1.00 71.23 H new ATOM 0 HE2 HIS A 75 -1.659 25.063 -26.246 1.00 44.33 H new ATOM 1222 N GLN A 76 -1.277 27.227 -32.607 1.00 43.13 N ATOM 1223 CA GLN A 76 -0.725 28.247 -33.484 1.00 65.25 C ATOM 1224 C GLN A 76 0.344 29.039 -32.740 1.00 62.05 C ATOM 1225 O GLN A 76 0.227 29.271 -31.535 1.00 20.10 O ATOM 1226 CB GLN A 76 -1.834 29.156 -34.045 1.00 34.53 C ATOM 1227 CG GLN A 76 -2.780 29.752 -33.004 1.00 3.12 C ATOM 1228 CD GLN A 76 -2.190 30.940 -32.267 1.00 41.21 C ATOM 1229 OE1 GLN A 76 -1.358 31.675 -32.807 1.00 55.54 O ATOM 1230 NE2 GLN A 76 -2.627 31.149 -31.036 1.00 11.44 N ATOM 0 H GLN A 76 -2.027 27.552 -31.997 1.00 43.13 H new ATOM 0 HA GLN A 76 -0.255 27.765 -34.341 1.00 65.25 H new ATOM 0 HB2 GLN A 76 -1.367 29.972 -34.597 1.00 34.53 H new ATOM 0 HB3 GLN A 76 -2.423 28.583 -34.761 1.00 34.53 H new ATOM 0 HG2 GLN A 76 -3.703 30.060 -33.496 1.00 3.12 H new ATOM 0 HG3 GLN A 76 -3.046 28.981 -32.281 1.00 3.12 H new ATOM 0 HE21 GLN A 76 -3.315 30.518 -30.625 1.00 11.44 H new ATOM 0 HE22 GLN A 76 -2.276 31.941 -30.498 1.00 11.44 H new ATOM 1239 N CYS A 77 1.396 29.423 -33.447 1.00 73.43 N ATOM 1240 CA CYS A 77 2.534 30.069 -32.816 1.00 0.21 C ATOM 1241 C CYS A 77 3.328 30.860 -33.852 1.00 24.03 C ATOM 1242 O CYS A 77 3.120 30.684 -35.055 1.00 71.30 O ATOM 1243 CB CYS A 77 3.421 29.018 -32.144 1.00 42.23 C ATOM 1244 SG CYS A 77 4.338 29.629 -30.709 1.00 24.24 S ATOM 0 H CYS A 77 1.484 29.298 -34.456 1.00 73.43 H new ATOM 0 HA CYS A 77 2.176 30.762 -32.054 1.00 0.21 H new ATOM 0 HB2 CYS A 77 2.799 28.179 -31.833 1.00 42.23 H new ATOM 0 HB3 CYS A 77 4.130 28.634 -32.878 1.00 42.23 H new ATOM 0 HG CYS A 77 5.545 29.951 -31.070 1.00 24.24 H new ATOM 1250 N GLN A 78 4.206 31.750 -33.375 1.00 15.12 N ATOM 1251 CA GLN A 78 5.066 32.574 -34.236 1.00 55.21 C ATOM 1252 C GLN A 78 4.252 33.624 -34.983 1.00 53.13 C ATOM 1253 O GLN A 78 4.740 34.237 -35.932 1.00 63.22 O ATOM 1254 CB GLN A 78 5.838 31.720 -35.251 1.00 43.14 C ATOM 1255 CG GLN A 78 6.765 30.686 -34.638 1.00 42.43 C ATOM 1256 CD GLN A 78 7.495 29.884 -35.698 1.00 65.45 C ATOM 1257 OE1 GLN A 78 8.593 30.246 -36.124 1.00 41.12 O ATOM 1258 NE2 GLN A 78 6.885 28.798 -36.143 1.00 1.23 N ATOM 0 H GLN A 78 4.341 31.920 -32.378 1.00 15.12 H new ATOM 0 HA GLN A 78 5.781 33.071 -33.580 1.00 55.21 H new ATOM 0 HB2 GLN A 78 5.122 31.209 -35.894 1.00 43.14 H new ATOM 0 HB3 GLN A 78 6.425 32.381 -35.889 1.00 43.14 H new ATOM 0 HG2 GLN A 78 7.491 31.184 -33.995 1.00 42.43 H new ATOM 0 HG3 GLN A 78 6.189 30.011 -34.005 1.00 42.43 H new ATOM 0 HE21 GLN A 78 5.976 28.532 -35.764 1.00 1.23 H new ATOM 0 HE22 GLN A 78 7.324 28.226 -36.865 1.00 1.23 H new ATOM 1267 N GLY A 79 3.012 33.827 -34.554 1.00 14.22 N ATOM 1268 CA GLY A 79 2.128 34.740 -35.251 1.00 54.15 C ATOM 1269 C GLY A 79 1.644 34.154 -36.560 1.00 62.54 C ATOM 1270 O GLY A 79 1.065 34.852 -37.395 1.00 62.13 O ATOM 0 H GLY A 79 2.603 33.375 -33.736 1.00 14.22 H new ATOM 0 HA2 GLY A 79 1.272 34.974 -34.618 1.00 54.15 H new ATOM 0 HA3 GLY A 79 2.649 35.678 -35.442 1.00 54.15 H new ATOM 1274 N THR A 80 1.893 32.865 -36.739 1.00 30.30 N ATOM 1275 CA THR A 80 1.505 32.168 -37.948 1.00 52.53 C ATOM 1276 C THR A 80 0.313 31.257 -37.665 1.00 62.31 C ATOM 1277 O THR A 80 0.400 30.331 -36.853 1.00 21.23 O ATOM 1278 CB THR A 80 2.680 31.338 -38.499 1.00 22.20 C ATOM 1279 OG1 THR A 80 3.899 32.085 -38.379 1.00 4.10 O ATOM 1280 CG2 THR A 80 2.452 30.981 -39.961 1.00 25.33 C ATOM 0 H THR A 80 2.367 32.279 -36.052 1.00 30.30 H new ATOM 0 HA THR A 80 1.222 32.908 -38.697 1.00 52.53 H new ATOM 0 HB THR A 80 2.750 30.417 -37.920 1.00 22.20 H new ATOM 0 HG1 THR A 80 4.644 31.553 -38.729 1.00 4.10 H new ATOM 0 HG21 THR A 80 3.295 30.395 -40.328 1.00 25.33 H new ATOM 0 HG22 THR A 80 1.536 30.397 -40.054 1.00 25.33 H new ATOM 0 HG23 THR A 80 2.362 31.894 -40.549 1.00 25.33 H new ATOM 1288 N SER A 81 -0.791 31.515 -38.350 1.00 64.45 N ATOM 1289 CA SER A 81 -2.049 30.823 -38.092 1.00 62.21 C ATOM 1290 C SER A 81 -2.102 29.447 -38.760 1.00 73.13 C ATOM 1291 O SER A 81 -3.180 28.938 -39.062 1.00 4.24 O ATOM 1292 CB SER A 81 -3.208 31.689 -38.582 1.00 73.55 C ATOM 1293 OG SER A 81 -2.980 32.138 -39.910 1.00 53.25 O ATOM 0 H SER A 81 -0.842 32.207 -39.098 1.00 64.45 H new ATOM 0 HA SER A 81 -2.128 30.659 -37.017 1.00 62.21 H new ATOM 0 HB2 SER A 81 -4.136 31.118 -38.541 1.00 73.55 H new ATOM 0 HB3 SER A 81 -3.332 32.546 -37.920 1.00 73.55 H new ATOM 0 HG SER A 81 -3.736 32.689 -40.203 1.00 53.25 H new ATOM 1299 N GLU A 82 -0.940 28.844 -38.974 1.00 44.42 N ATOM 1300 CA GLU A 82 -0.869 27.518 -39.570 1.00 74.31 C ATOM 1301 C GLU A 82 -1.535 26.492 -38.664 1.00 71.55 C ATOM 1302 O GLU A 82 -2.189 25.566 -39.144 1.00 51.44 O ATOM 1303 CB GLU A 82 0.584 27.125 -39.834 1.00 63.55 C ATOM 1304 CG GLU A 82 1.243 27.941 -40.934 1.00 34.21 C ATOM 1305 CD GLU A 82 0.551 27.777 -42.271 1.00 24.53 C ATOM 1306 OE1 GLU A 82 0.803 26.761 -42.950 1.00 62.45 O ATOM 1307 OE2 GLU A 82 -0.254 28.659 -42.647 1.00 21.41 O ATOM 0 H GLU A 82 -0.034 29.253 -38.744 1.00 44.42 H new ATOM 0 HA GLU A 82 -1.400 27.541 -40.521 1.00 74.31 H new ATOM 0 HB2 GLU A 82 1.156 27.241 -38.914 1.00 63.55 H new ATOM 0 HB3 GLU A 82 0.623 26.069 -40.103 1.00 63.55 H new ATOM 0 HG2 GLU A 82 1.239 28.994 -40.653 1.00 34.21 H new ATOM 0 HG3 GLU A 82 2.286 27.641 -41.029 1.00 34.21 H new ATOM 1314 N SER A 83 -1.375 26.692 -37.355 1.00 52.31 N ATOM 1315 CA SER A 83 -1.956 25.814 -36.342 1.00 14.51 C ATOM 1316 C SER A 83 -1.490 24.370 -36.520 1.00 51.41 C ATOM 1317 O SER A 83 -2.083 23.597 -37.271 1.00 71.03 O ATOM 1318 CB SER A 83 -3.485 25.890 -36.373 1.00 73.44 C ATOM 1319 OG SER A 83 -3.936 27.219 -36.152 1.00 1.51 O ATOM 0 H SER A 83 -0.838 27.468 -36.968 1.00 52.31 H new ATOM 0 HA SER A 83 -1.609 26.160 -35.368 1.00 14.51 H new ATOM 0 HB2 SER A 83 -3.850 25.534 -37.336 1.00 73.44 H new ATOM 0 HB3 SER A 83 -3.900 25.230 -35.611 1.00 73.44 H new ATOM 0 HG SER A 83 -4.915 27.241 -36.178 1.00 1.51 H new ATOM 1325 N SER A 84 -0.416 24.015 -35.837 1.00 61.31 N ATOM 1326 CA SER A 84 0.118 22.670 -35.917 1.00 52.23 C ATOM 1327 C SER A 84 -0.693 21.734 -35.030 1.00 0.23 C ATOM 1328 O SER A 84 -0.557 21.752 -33.806 1.00 51.31 O ATOM 1329 CB SER A 84 1.591 22.667 -35.506 1.00 45.00 C ATOM 1330 OG SER A 84 2.336 23.585 -36.295 1.00 43.12 O ATOM 0 H SER A 84 0.103 24.641 -35.221 1.00 61.31 H new ATOM 0 HA SER A 84 0.047 22.316 -36.946 1.00 52.23 H new ATOM 0 HB2 SER A 84 1.680 22.930 -34.452 1.00 45.00 H new ATOM 0 HB3 SER A 84 2.003 21.664 -35.620 1.00 45.00 H new ATOM 0 HG SER A 84 3.275 23.569 -36.016 1.00 43.12 H new ATOM 1336 N LYS A 85 -1.572 20.956 -35.646 1.00 32.23 N ATOM 1337 CA LYS A 85 -2.390 20.019 -34.919 1.00 41.44 C ATOM 1338 C LYS A 85 -1.729 18.648 -34.892 1.00 51.32 C ATOM 1339 O LYS A 85 -1.872 17.855 -35.820 1.00 40.54 O ATOM 1340 CB LYS A 85 -3.771 19.941 -35.556 1.00 41.23 C ATOM 1341 CG LYS A 85 -4.763 19.149 -34.739 1.00 42.24 C ATOM 1342 CD LYS A 85 -6.164 19.286 -35.290 1.00 70.04 C ATOM 1343 CE LYS A 85 -7.147 18.563 -34.403 1.00 73.33 C ATOM 1344 NZ LYS A 85 -8.542 18.653 -34.905 1.00 40.12 N ATOM 0 H LYS A 85 -1.731 20.962 -36.654 1.00 32.23 H new ATOM 0 HA LYS A 85 -2.498 20.362 -33.890 1.00 41.44 H new ATOM 0 HB2 LYS A 85 -4.154 20.951 -35.700 1.00 41.23 H new ATOM 0 HB3 LYS A 85 -3.682 19.490 -36.544 1.00 41.23 H new ATOM 0 HG2 LYS A 85 -4.474 18.098 -34.732 1.00 42.24 H new ATOM 0 HG3 LYS A 85 -4.742 19.493 -33.705 1.00 42.24 H new ATOM 0 HD2 LYS A 85 -6.433 20.340 -35.360 1.00 70.04 H new ATOM 0 HD3 LYS A 85 -6.207 18.878 -36.300 1.00 70.04 H new ATOM 0 HE2 LYS A 85 -6.859 17.514 -34.327 1.00 73.33 H new ATOM 0 HE3 LYS A 85 -7.099 18.981 -33.397 1.00 73.33 H new ATOM 0 HZ1 LYS A 85 -9.177 18.140 -34.260 1.00 40.12 H new ATOM 0 HZ2 LYS A 85 -8.830 19.651 -34.953 1.00 40.12 H new ATOM 0 HZ3 LYS A 85 -8.597 18.230 -35.854 1.00 40.12 H new ATOM 1358 N LYS A 86 -0.982 18.394 -33.837 1.00 55.43 N ATOM 1359 CA LYS A 86 -0.275 17.134 -33.680 1.00 23.13 C ATOM 1360 C LYS A 86 -0.932 16.303 -32.586 1.00 51.11 C ATOM 1361 O LYS A 86 -1.458 16.853 -31.617 1.00 73.51 O ATOM 1362 CB LYS A 86 1.198 17.404 -33.337 1.00 35.04 C ATOM 1363 CG LYS A 86 2.019 16.155 -33.040 1.00 74.24 C ATOM 1364 CD LYS A 86 3.035 15.851 -34.134 1.00 65.22 C ATOM 1365 CE LYS A 86 2.375 15.365 -35.416 1.00 24.34 C ATOM 1366 NZ LYS A 86 3.382 14.963 -36.432 1.00 40.01 N ATOM 0 H LYS A 86 -0.847 19.049 -33.067 1.00 55.43 H new ATOM 0 HA LYS A 86 -0.321 16.576 -34.615 1.00 23.13 H new ATOM 0 HB2 LYS A 86 1.659 17.937 -34.168 1.00 35.04 H new ATOM 0 HB3 LYS A 86 1.241 18.065 -32.472 1.00 35.04 H new ATOM 0 HG2 LYS A 86 2.539 16.283 -32.091 1.00 74.24 H new ATOM 0 HG3 LYS A 86 1.349 15.303 -32.924 1.00 74.24 H new ATOM 0 HD2 LYS A 86 3.617 16.748 -34.345 1.00 65.22 H new ATOM 0 HD3 LYS A 86 3.733 15.094 -33.778 1.00 65.22 H new ATOM 0 HE2 LYS A 86 1.725 14.519 -35.193 1.00 24.34 H new ATOM 0 HE3 LYS A 86 1.743 16.155 -35.822 1.00 24.34 H new ATOM 0 HZ1 LYS A 86 2.896 14.637 -37.292 1.00 40.01 H new ATOM 0 HZ2 LYS A 86 3.986 15.777 -36.663 1.00 40.01 H new ATOM 0 HZ3 LYS A 86 3.969 14.193 -36.053 1.00 40.01 H new ATOM 1380 N GLN A 87 -0.926 14.989 -32.753 1.00 21.55 N ATOM 1381 CA GLN A 87 -1.392 14.091 -31.710 1.00 14.14 C ATOM 1382 C GLN A 87 -0.258 13.822 -30.728 1.00 22.23 C ATOM 1383 O GLN A 87 0.806 13.325 -31.104 1.00 51.34 O ATOM 1384 CB GLN A 87 -1.931 12.770 -32.292 1.00 24.23 C ATOM 1385 CG GLN A 87 -0.929 11.980 -33.128 1.00 2.45 C ATOM 1386 CD GLN A 87 -0.782 12.512 -34.541 1.00 53.43 C ATOM 1387 OE1 GLN A 87 0.028 13.400 -34.805 1.00 11.30 O ATOM 1388 NE2 GLN A 87 -1.556 11.959 -35.459 1.00 31.32 N ATOM 0 H GLN A 87 -0.604 14.522 -33.601 1.00 21.55 H new ATOM 0 HA GLN A 87 -2.219 14.572 -31.188 1.00 14.14 H new ATOM 0 HB2 GLN A 87 -2.273 12.141 -31.470 1.00 24.23 H new ATOM 0 HB3 GLN A 87 -2.803 12.990 -32.908 1.00 24.23 H new ATOM 0 HG2 GLN A 87 0.043 12.001 -32.635 1.00 2.45 H new ATOM 0 HG3 GLN A 87 -1.242 10.937 -33.170 1.00 2.45 H new ATOM 0 HE21 GLN A 87 -2.214 11.225 -35.197 1.00 31.32 H new ATOM 0 HE22 GLN A 87 -1.495 12.266 -36.430 1.00 31.32 H new ATOM 1397 N LYS A 88 -0.462 14.197 -29.479 1.00 42.21 N ATOM 1398 CA LYS A 88 0.548 13.990 -28.456 1.00 72.12 C ATOM 1399 C LYS A 88 -0.068 13.301 -27.249 1.00 21.25 C ATOM 1400 O LYS A 88 -1.084 13.759 -26.726 1.00 25.34 O ATOM 1401 CB LYS A 88 1.181 15.316 -28.008 1.00 34.25 C ATOM 1402 CG LYS A 88 1.742 16.184 -29.129 1.00 42.04 C ATOM 1403 CD LYS A 88 0.727 17.213 -29.613 1.00 53.41 C ATOM 1404 CE LYS A 88 0.327 18.192 -28.516 1.00 4.21 C ATOM 1405 NZ LYS A 88 1.467 19.044 -28.079 1.00 33.40 N ATOM 0 H LYS A 88 -1.316 14.646 -29.148 1.00 42.21 H new ATOM 0 HA LYS A 88 1.328 13.364 -28.888 1.00 72.12 H new ATOM 0 HB2 LYS A 88 0.431 15.892 -27.466 1.00 34.25 H new ATOM 0 HB3 LYS A 88 1.984 15.096 -27.305 1.00 34.25 H new ATOM 0 HG2 LYS A 88 2.638 16.695 -28.778 1.00 42.04 H new ATOM 0 HG3 LYS A 88 2.042 15.550 -29.963 1.00 42.04 H new ATOM 0 HD2 LYS A 88 1.146 17.765 -30.454 1.00 53.41 H new ATOM 0 HD3 LYS A 88 -0.161 16.699 -29.980 1.00 53.41 H new ATOM 0 HE2 LYS A 88 -0.482 18.827 -28.876 1.00 4.21 H new ATOM 0 HE3 LYS A 88 -0.059 17.638 -27.660 1.00 4.21 H new ATOM 0 HZ1 LYS A 88 1.148 19.694 -27.332 1.00 33.40 H new ATOM 0 HZ2 LYS A 88 2.230 18.441 -27.711 1.00 33.40 H new ATOM 0 HZ3 LYS A 88 1.820 19.593 -28.888 1.00 33.40 H new ATOM 1419 N LEU A 89 0.541 12.205 -26.821 1.00 40.41 N ATOM 1420 CA LEU A 89 0.095 11.514 -25.621 1.00 60.02 C ATOM 1421 C LEU A 89 0.714 12.163 -24.396 1.00 1.50 C ATOM 1422 O LEU A 89 1.924 12.398 -24.355 1.00 63.41 O ATOM 1423 CB LEU A 89 0.472 10.028 -25.629 1.00 73.24 C ATOM 1424 CG LEU A 89 0.121 9.237 -26.891 1.00 14.43 C ATOM 1425 CD1 LEU A 89 1.168 9.447 -27.977 1.00 41.31 C ATOM 1426 CD2 LEU A 89 -0.021 7.759 -26.562 1.00 34.25 C ATOM 0 H LEU A 89 1.342 11.777 -27.285 1.00 40.41 H new ATOM 0 HA LEU A 89 -0.992 11.590 -25.595 1.00 60.02 H new ATOM 0 HB2 LEU A 89 1.547 9.949 -25.466 1.00 73.24 H new ATOM 0 HB3 LEU A 89 -0.016 9.549 -24.780 1.00 73.24 H new ATOM 0 HG LEU A 89 -0.832 9.604 -27.271 1.00 14.43 H new ATOM 0 HD11 LEU A 89 0.894 8.874 -28.862 1.00 41.31 H new ATOM 0 HD12 LEU A 89 1.220 10.505 -28.232 1.00 41.31 H new ATOM 0 HD13 LEU A 89 2.140 9.112 -27.615 1.00 41.31 H new ATOM 0 HD21 LEU A 89 -0.271 7.207 -27.468 1.00 34.25 H new ATOM 0 HD22 LEU A 89 0.919 7.385 -26.156 1.00 34.25 H new ATOM 0 HD23 LEU A 89 -0.813 7.625 -25.825 1.00 34.25 H new ATOM 1438 N PHE A 90 -0.114 12.451 -23.412 1.00 43.34 N ATOM 1439 CA PHE A 90 0.349 13.000 -22.148 1.00 51.22 C ATOM 1440 C PHE A 90 -0.253 12.211 -20.993 1.00 71.41 C ATOM 1441 O PHE A 90 -1.397 11.760 -21.070 1.00 40.13 O ATOM 1442 CB PHE A 90 -0.028 14.471 -22.032 1.00 1.30 C ATOM 1443 CG PHE A 90 0.571 15.323 -23.115 1.00 2.40 C ATOM 1444 CD1 PHE A 90 1.931 15.578 -23.135 1.00 62.32 C ATOM 1445 CD2 PHE A 90 -0.221 15.861 -24.113 1.00 62.13 C ATOM 1446 CE1 PHE A 90 2.491 16.352 -24.131 1.00 15.52 C ATOM 1447 CE2 PHE A 90 0.332 16.637 -25.110 1.00 4.12 C ATOM 1448 CZ PHE A 90 1.691 16.884 -25.118 1.00 32.10 C ATOM 0 H PHE A 90 -1.123 12.313 -23.463 1.00 43.34 H new ATOM 0 HA PHE A 90 1.435 12.921 -22.109 1.00 51.22 H new ATOM 0 HB2 PHE A 90 -1.114 14.565 -22.064 1.00 1.30 H new ATOM 0 HB3 PHE A 90 0.296 14.847 -21.062 1.00 1.30 H new ATOM 0 HD1 PHE A 90 2.562 15.166 -22.361 1.00 62.32 H new ATOM 0 HD2 PHE A 90 -1.284 15.671 -24.112 1.00 62.13 H new ATOM 0 HE1 PHE A 90 3.554 16.540 -24.137 1.00 15.52 H new ATOM 0 HE2 PHE A 90 -0.297 17.051 -25.884 1.00 4.12 H new ATOM 0 HZ PHE A 90 2.126 17.493 -25.897 1.00 32.10 H new ATOM 1458 N LEU A 91 0.531 12.025 -19.946 1.00 74.52 N ATOM 1459 CA LEU A 91 0.090 11.297 -18.769 1.00 55.22 C ATOM 1460 C LEU A 91 0.089 12.214 -17.559 1.00 24.33 C ATOM 1461 O LEU A 91 1.124 12.776 -17.195 1.00 34.43 O ATOM 1462 CB LEU A 91 1.013 10.100 -18.514 1.00 62.15 C ATOM 1463 CG LEU A 91 0.745 9.320 -17.222 1.00 65.33 C ATOM 1464 CD1 LEU A 91 -0.607 8.631 -17.277 1.00 4.31 C ATOM 1465 CD2 LEU A 91 1.850 8.305 -16.976 1.00 23.11 C ATOM 0 H LEU A 91 1.488 12.373 -19.887 1.00 74.52 H new ATOM 0 HA LEU A 91 -0.923 10.934 -18.940 1.00 55.22 H new ATOM 0 HB2 LEU A 91 0.928 9.413 -19.356 1.00 62.15 H new ATOM 0 HB3 LEU A 91 2.043 10.456 -18.495 1.00 62.15 H new ATOM 0 HG LEU A 91 0.732 10.028 -16.393 1.00 65.33 H new ATOM 0 HD11 LEU A 91 -0.775 8.084 -16.349 1.00 4.31 H new ATOM 0 HD12 LEU A 91 -1.391 9.378 -17.405 1.00 4.31 H new ATOM 0 HD13 LEU A 91 -0.627 7.936 -18.117 1.00 4.31 H new ATOM 0 HD21 LEU A 91 1.645 7.760 -16.055 1.00 23.11 H new ATOM 0 HD22 LEU A 91 1.893 7.605 -17.810 1.00 23.11 H new ATOM 0 HD23 LEU A 91 2.805 8.822 -16.886 1.00 23.11 H new ATOM 1477 N MET A 92 -1.067 12.381 -16.945 1.00 34.55 N ATOM 1478 CA MET A 92 -1.161 13.185 -15.742 1.00 2.31 C ATOM 1479 C MET A 92 -1.376 12.298 -14.523 1.00 51.05 C ATOM 1480 O MET A 92 -2.202 11.384 -14.537 1.00 32.35 O ATOM 1481 CB MET A 92 -2.268 14.241 -15.853 1.00 42.04 C ATOM 1482 CG MET A 92 -3.678 13.679 -15.955 1.00 32.13 C ATOM 1483 SD MET A 92 -4.932 14.976 -16.006 1.00 40.51 S ATOM 1484 CE MET A 92 -6.424 13.996 -16.153 1.00 24.22 C ATOM 0 H MET A 92 -1.949 11.974 -17.257 1.00 34.55 H new ATOM 0 HA MET A 92 -0.217 13.716 -15.622 1.00 2.31 H new ATOM 0 HB2 MET A 92 -2.215 14.895 -14.983 1.00 42.04 H new ATOM 0 HB3 MET A 92 -2.074 14.859 -16.729 1.00 42.04 H new ATOM 0 HG2 MET A 92 -3.758 13.065 -16.852 1.00 32.13 H new ATOM 0 HG3 MET A 92 -3.869 13.026 -15.103 1.00 32.13 H new ATOM 0 HE1 MET A 92 -7.290 14.656 -16.196 1.00 24.22 H new ATOM 0 HE2 MET A 92 -6.378 13.398 -17.063 1.00 24.22 H new ATOM 0 HE3 MET A 92 -6.513 13.337 -15.289 1.00 24.22 H new ATOM 1494 N SER A 93 -0.601 12.557 -13.485 1.00 64.15 N ATOM 1495 CA SER A 93 -0.677 11.782 -12.259 1.00 53.11 C ATOM 1496 C SER A 93 -1.500 12.524 -11.214 1.00 31.01 C ATOM 1497 O SER A 93 -0.976 13.358 -10.487 1.00 23.22 O ATOM 1498 CB SER A 93 0.736 11.512 -11.741 1.00 5.25 C ATOM 1499 OG SER A 93 0.722 10.800 -10.520 1.00 73.14 O ATOM 0 H SER A 93 0.093 13.304 -13.467 1.00 64.15 H new ATOM 0 HA SER A 93 -1.169 10.831 -12.463 1.00 53.11 H new ATOM 0 HB2 SER A 93 1.294 10.944 -12.486 1.00 5.25 H new ATOM 0 HB3 SER A 93 1.259 12.458 -11.604 1.00 5.25 H new ATOM 0 HG SER A 93 -0.075 10.231 -10.482 1.00 73.14 H new ATOM 1505 N TRP A 94 -2.780 12.219 -11.137 1.00 62.12 N ATOM 1506 CA TRP A 94 -3.678 12.950 -10.257 1.00 2.44 C ATOM 1507 C TRP A 94 -3.642 12.353 -8.855 1.00 0.33 C ATOM 1508 O TRP A 94 -4.096 11.228 -8.647 1.00 22.41 O ATOM 1509 CB TRP A 94 -5.100 12.901 -10.821 1.00 0.14 C ATOM 1510 CG TRP A 94 -6.063 13.866 -10.186 1.00 62.23 C ATOM 1511 CD1 TRP A 94 -6.081 14.297 -8.888 1.00 62.12 C ATOM 1512 CD2 TRP A 94 -7.170 14.501 -10.833 1.00 30.13 C ATOM 1513 NE1 TRP A 94 -7.128 15.165 -8.695 1.00 54.42 N ATOM 1514 CE2 TRP A 94 -7.810 15.307 -9.875 1.00 12.42 C ATOM 1515 CE3 TRP A 94 -7.678 14.465 -12.134 1.00 54.34 C ATOM 1516 CZ2 TRP A 94 -8.934 16.074 -10.178 1.00 11.32 C ATOM 1517 CZ3 TRP A 94 -8.793 15.225 -12.435 1.00 1.20 C ATOM 1518 CH2 TRP A 94 -9.411 16.018 -11.461 1.00 74.21 C ATOM 0 H TRP A 94 -3.224 11.472 -11.671 1.00 62.12 H new ATOM 0 HA TRP A 94 -3.355 13.989 -10.197 1.00 2.44 H new ATOM 0 HB2 TRP A 94 -5.059 13.102 -11.891 1.00 0.14 H new ATOM 0 HB3 TRP A 94 -5.489 11.890 -10.701 1.00 0.14 H new ATOM 0 HD1 TRP A 94 -5.376 13.999 -8.127 1.00 62.12 H new ATOM 0 HE1 TRP A 94 -7.360 15.628 -7.816 1.00 54.42 H new ATOM 0 HE3 TRP A 94 -7.208 13.854 -12.891 1.00 54.34 H new ATOM 0 HZ2 TRP A 94 -9.411 16.689 -9.429 1.00 11.32 H new ATOM 0 HZ3 TRP A 94 -9.194 15.207 -13.438 1.00 1.20 H new ATOM 0 HH2 TRP A 94 -10.282 16.598 -11.727 1.00 74.21 H new ATOM 1529 N CYS A 95 -3.100 13.106 -7.905 1.00 64.30 N ATOM 1530 CA CYS A 95 -3.018 12.652 -6.522 1.00 43.52 C ATOM 1531 C CYS A 95 -2.580 13.785 -5.593 1.00 14.22 C ATOM 1532 O CYS A 95 -1.435 14.240 -5.649 1.00 72.45 O ATOM 1533 CB CYS A 95 -2.039 11.479 -6.407 1.00 74.33 C ATOM 1534 SG CYS A 95 -0.380 11.843 -7.028 1.00 21.24 S ATOM 0 H CYS A 95 -2.710 14.035 -8.067 1.00 64.30 H new ATOM 0 HA CYS A 95 -4.012 12.324 -6.218 1.00 43.52 H new ATOM 0 HB2 CYS A 95 -1.967 11.180 -5.361 1.00 74.33 H new ATOM 0 HB3 CYS A 95 -2.442 10.627 -6.955 1.00 74.33 H new ATOM 0 HG CYS A 95 0.174 10.747 -7.454 1.00 21.24 H new ATOM 1540 N PRO A 96 -3.493 14.277 -4.744 1.00 30.54 N ATOM 1541 CA PRO A 96 -3.166 15.263 -3.714 1.00 4.35 C ATOM 1542 C PRO A 96 -2.373 14.634 -2.571 1.00 64.55 C ATOM 1543 O PRO A 96 -2.800 13.646 -1.969 1.00 21.22 O ATOM 1544 CB PRO A 96 -4.538 15.756 -3.219 1.00 32.30 C ATOM 1545 CG PRO A 96 -5.532 15.204 -4.187 1.00 23.20 C ATOM 1546 CD PRO A 96 -4.919 13.948 -4.735 1.00 41.11 C ATOM 0 HA PRO A 96 -2.540 16.068 -4.099 1.00 4.35 H new ATOM 0 HB2 PRO A 96 -4.739 15.406 -2.207 1.00 32.30 H new ATOM 0 HB3 PRO A 96 -4.578 16.845 -3.193 1.00 32.30 H new ATOM 0 HG2 PRO A 96 -6.481 14.993 -3.694 1.00 23.20 H new ATOM 0 HG3 PRO A 96 -5.739 15.918 -4.984 1.00 23.20 H new ATOM 0 HD2 PRO A 96 -5.133 13.083 -4.107 1.00 41.11 H new ATOM 0 HD3 PRO A 96 -5.290 13.716 -5.734 1.00 41.11 H new ATOM 1554 N ASP A 97 -1.224 15.217 -2.269 1.00 43.41 N ATOM 1555 CA ASP A 97 -0.336 14.685 -1.240 1.00 13.33 C ATOM 1556 C ASP A 97 -0.887 14.986 0.150 1.00 1.43 C ATOM 1557 O ASP A 97 -0.569 14.303 1.124 1.00 14.24 O ATOM 1558 CB ASP A 97 1.067 15.282 -1.400 1.00 41.32 C ATOM 1559 CG ASP A 97 2.058 14.763 -0.374 1.00 5.05 C ATOM 1560 OD1 ASP A 97 2.628 13.672 -0.585 1.00 33.15 O ATOM 1561 OD2 ASP A 97 2.282 15.454 0.643 1.00 31.14 O ATOM 0 H ASP A 97 -0.880 16.063 -2.723 1.00 43.41 H new ATOM 0 HA ASP A 97 -0.274 13.603 -1.356 1.00 13.33 H new ATOM 0 HB2 ASP A 97 1.438 15.058 -2.400 1.00 41.32 H new ATOM 0 HB3 ASP A 97 1.005 16.367 -1.319 1.00 41.32 H new ATOM 1566 N THR A 98 -1.731 16.005 0.230 1.00 75.32 N ATOM 1567 CA THR A 98 -2.318 16.419 1.497 1.00 32.31 C ATOM 1568 C THR A 98 -3.583 15.609 1.815 1.00 0.22 C ATOM 1569 O THR A 98 -4.213 15.796 2.859 1.00 24.13 O ATOM 1570 CB THR A 98 -2.655 17.923 1.460 1.00 22.13 C ATOM 1571 OG1 THR A 98 -1.584 18.631 0.824 1.00 22.00 O ATOM 1572 CG2 THR A 98 -2.857 18.483 2.862 1.00 41.31 C ATOM 0 H THR A 98 -2.026 16.563 -0.572 1.00 75.32 H new ATOM 0 HA THR A 98 -1.586 16.232 2.283 1.00 32.31 H new ATOM 0 HB THR A 98 -3.583 18.050 0.903 1.00 22.13 H new ATOM 0 HG1 THR A 98 -1.795 19.588 0.797 1.00 22.00 H new ATOM 0 HG21 THR A 98 -3.093 19.545 2.799 1.00 41.31 H new ATOM 0 HG22 THR A 98 -3.678 17.957 3.349 1.00 41.31 H new ATOM 0 HG23 THR A 98 -1.945 18.348 3.443 1.00 41.31 H new ATOM 1580 N ALA A 99 -3.944 14.699 0.918 1.00 45.25 N ATOM 1581 CA ALA A 99 -5.123 13.861 1.105 1.00 12.52 C ATOM 1582 C ALA A 99 -4.781 12.626 1.939 1.00 35.43 C ATOM 1583 O ALA A 99 -3.783 12.618 2.664 1.00 12.23 O ATOM 1584 CB ALA A 99 -5.694 13.456 -0.248 1.00 62.51 C ATOM 0 H ALA A 99 -3.436 14.522 0.052 1.00 45.25 H new ATOM 0 HA ALA A 99 -5.877 14.434 1.645 1.00 12.52 H new ATOM 0 HB1 ALA A 99 -6.574 12.830 -0.099 1.00 62.51 H new ATOM 0 HB2 ALA A 99 -5.974 14.349 -0.807 1.00 62.51 H new ATOM 0 HB3 ALA A 99 -4.943 12.898 -0.808 1.00 62.51 H new ATOM 1590 N LYS A 100 -5.625 11.599 1.857 1.00 62.52 N ATOM 1591 CA LYS A 100 -5.386 10.339 2.556 1.00 51.43 C ATOM 1592 C LYS A 100 -4.030 9.754 2.153 1.00 35.14 C ATOM 1593 O LYS A 100 -3.831 9.346 1.005 1.00 44.41 O ATOM 1594 CB LYS A 100 -6.530 9.358 2.259 1.00 24.02 C ATOM 1595 CG LYS A 100 -6.373 7.998 2.923 1.00 75.04 C ATOM 1596 CD LYS A 100 -7.706 7.268 3.046 1.00 64.35 C ATOM 1597 CE LYS A 100 -8.381 7.057 1.697 1.00 25.53 C ATOM 1598 NZ LYS A 100 -9.678 6.342 1.836 1.00 0.24 N ATOM 0 H LYS A 100 -6.486 11.616 1.310 1.00 62.52 H new ATOM 0 HA LYS A 100 -5.360 10.521 3.630 1.00 51.43 H new ATOM 0 HB2 LYS A 100 -7.470 9.803 2.586 1.00 24.02 H new ATOM 0 HB3 LYS A 100 -6.602 9.217 1.181 1.00 24.02 H new ATOM 0 HG2 LYS A 100 -5.678 7.390 2.344 1.00 75.04 H new ATOM 0 HG3 LYS A 100 -5.936 8.126 3.914 1.00 75.04 H new ATOM 0 HD2 LYS A 100 -7.545 6.301 3.523 1.00 64.35 H new ATOM 0 HD3 LYS A 100 -8.370 7.838 3.696 1.00 64.35 H new ATOM 0 HE2 LYS A 100 -8.547 8.022 1.218 1.00 25.53 H new ATOM 0 HE3 LYS A 100 -7.720 6.487 1.044 1.00 25.53 H new ATOM 0 HZ1 LYS A 100 -10.108 6.217 0.897 1.00 0.24 H new ATOM 0 HZ2 LYS A 100 -9.516 5.411 2.270 1.00 0.24 H new ATOM 0 HZ3 LYS A 100 -10.318 6.898 2.438 1.00 0.24 H new ATOM 1612 N VAL A 101 -3.100 9.722 3.107 1.00 41.33 N ATOM 1613 CA VAL A 101 -1.712 9.375 2.820 1.00 24.35 C ATOM 1614 C VAL A 101 -1.562 7.935 2.346 1.00 14.31 C ATOM 1615 O VAL A 101 -0.727 7.655 1.491 1.00 74.22 O ATOM 1616 CB VAL A 101 -0.781 9.628 4.028 1.00 40.50 C ATOM 1617 CG1 VAL A 101 -0.783 11.102 4.399 1.00 15.30 C ATOM 1618 CG2 VAL A 101 -1.172 8.772 5.225 1.00 33.35 C ATOM 0 H VAL A 101 -3.285 9.933 4.088 1.00 41.33 H new ATOM 0 HA VAL A 101 -1.407 10.036 2.009 1.00 24.35 H new ATOM 0 HB VAL A 101 0.229 9.342 3.736 1.00 40.50 H new ATOM 0 HG11 VAL A 101 -0.123 11.264 5.251 1.00 15.30 H new ATOM 0 HG12 VAL A 101 -0.432 11.691 3.551 1.00 15.30 H new ATOM 0 HG13 VAL A 101 -1.795 11.410 4.661 1.00 15.30 H new ATOM 0 HG21 VAL A 101 -0.496 8.977 6.055 1.00 33.35 H new ATOM 0 HG22 VAL A 101 -2.194 9.008 5.523 1.00 33.35 H new ATOM 0 HG23 VAL A 101 -1.107 7.718 4.955 1.00 33.35 H new ATOM 1628 N LYS A 102 -2.369 7.027 2.882 1.00 13.54 N ATOM 1629 CA LYS A 102 -2.328 5.636 2.445 1.00 2.41 C ATOM 1630 C LYS A 102 -2.740 5.534 0.983 1.00 53.10 C ATOM 1631 O LYS A 102 -2.112 4.826 0.196 1.00 11.33 O ATOM 1632 CB LYS A 102 -3.247 4.768 3.305 1.00 61.03 C ATOM 1633 CG LYS A 102 -2.828 4.685 4.765 1.00 63.12 C ATOM 1634 CD LYS A 102 -1.480 3.998 4.941 1.00 32.24 C ATOM 1635 CE LYS A 102 -1.510 2.556 4.452 1.00 15.42 C ATOM 1636 NZ LYS A 102 -0.249 1.838 4.774 1.00 21.53 N ATOM 0 H LYS A 102 -3.053 7.225 3.612 1.00 13.54 H new ATOM 0 HA LYS A 102 -1.306 5.274 2.557 1.00 2.41 H new ATOM 0 HB2 LYS A 102 -4.261 5.164 3.250 1.00 61.03 H new ATOM 0 HB3 LYS A 102 -3.275 3.762 2.888 1.00 61.03 H new ATOM 0 HG2 LYS A 102 -2.779 5.690 5.184 1.00 63.12 H new ATOM 0 HG3 LYS A 102 -3.587 4.141 5.328 1.00 63.12 H new ATOM 0 HD2 LYS A 102 -0.716 4.551 4.394 1.00 32.24 H new ATOM 0 HD3 LYS A 102 -1.196 4.019 5.993 1.00 32.24 H new ATOM 0 HE2 LYS A 102 -2.352 2.035 4.908 1.00 15.42 H new ATOM 0 HE3 LYS A 102 -1.672 2.541 3.374 1.00 15.42 H new ATOM 0 HZ1 LYS A 102 -0.308 0.860 4.425 1.00 21.53 H new ATOM 0 HZ2 LYS A 102 0.551 2.321 4.318 1.00 21.53 H new ATOM 0 HZ3 LYS A 102 -0.107 1.830 5.804 1.00 21.53 H new ATOM 1650 N LYS A 103 -3.776 6.287 0.630 1.00 33.40 N ATOM 1651 CA LYS A 103 -4.317 6.294 -0.725 1.00 51.34 C ATOM 1652 C LYS A 103 -3.260 6.728 -1.732 1.00 64.34 C ATOM 1653 O LYS A 103 -3.074 6.087 -2.763 1.00 52.30 O ATOM 1654 CB LYS A 103 -5.525 7.241 -0.792 1.00 3.33 C ATOM 1655 CG LYS A 103 -6.109 7.448 -2.187 1.00 75.22 C ATOM 1656 CD LYS A 103 -7.236 6.469 -2.497 1.00 44.20 C ATOM 1657 CE LYS A 103 -6.727 5.063 -2.778 1.00 53.32 C ATOM 1658 NZ LYS A 103 -7.849 4.112 -3.002 1.00 75.33 N ATOM 0 H LYS A 103 -4.264 6.909 1.274 1.00 33.40 H new ATOM 0 HA LYS A 103 -4.632 5.281 -0.978 1.00 51.34 H new ATOM 0 HB2 LYS A 103 -6.308 6.852 -0.141 1.00 3.33 H new ATOM 0 HB3 LYS A 103 -5.230 8.211 -0.391 1.00 3.33 H new ATOM 0 HG2 LYS A 103 -6.484 8.468 -2.273 1.00 75.22 H new ATOM 0 HG3 LYS A 103 -5.319 7.335 -2.929 1.00 75.22 H new ATOM 0 HD2 LYS A 103 -7.929 6.440 -1.656 1.00 44.20 H new ATOM 0 HD3 LYS A 103 -7.797 6.828 -3.360 1.00 44.20 H new ATOM 0 HE2 LYS A 103 -6.080 5.078 -3.655 1.00 53.32 H new ATOM 0 HE3 LYS A 103 -6.120 4.720 -1.940 1.00 53.32 H new ATOM 0 HZ1 LYS A 103 -7.479 3.227 -3.403 1.00 75.33 H new ATOM 0 HZ2 LYS A 103 -8.320 3.912 -2.097 1.00 75.33 H new ATOM 0 HZ3 LYS A 103 -8.533 4.532 -3.663 1.00 75.33 H new ATOM 1672 N LYS A 104 -2.561 7.811 -1.428 1.00 14.41 N ATOM 1673 CA LYS A 104 -1.573 8.340 -2.353 1.00 53.50 C ATOM 1674 C LYS A 104 -0.246 7.588 -2.242 1.00 35.43 C ATOM 1675 O LYS A 104 0.566 7.624 -3.163 1.00 33.55 O ATOM 1676 CB LYS A 104 -1.385 9.856 -2.154 1.00 44.22 C ATOM 1677 CG LYS A 104 -0.898 10.281 -0.770 1.00 42.12 C ATOM 1678 CD LYS A 104 0.608 10.110 -0.614 1.00 52.31 C ATOM 1679 CE LYS A 104 1.375 10.907 -1.660 1.00 50.41 C ATOM 1680 NZ LYS A 104 2.840 10.677 -1.567 1.00 62.21 N ATOM 0 H LYS A 104 -2.658 8.335 -0.558 1.00 14.41 H new ATOM 0 HA LYS A 104 -1.947 8.185 -3.365 1.00 53.50 H new ATOM 0 HB2 LYS A 104 -0.674 10.217 -2.897 1.00 44.22 H new ATOM 0 HB3 LYS A 104 -2.335 10.352 -2.354 1.00 44.22 H new ATOM 0 HG2 LYS A 104 -1.164 11.324 -0.597 1.00 42.12 H new ATOM 0 HG3 LYS A 104 -1.410 9.692 -0.009 1.00 42.12 H new ATOM 0 HD2 LYS A 104 0.910 10.432 0.383 1.00 52.31 H new ATOM 0 HD3 LYS A 104 0.865 9.054 -0.700 1.00 52.31 H new ATOM 0 HE2 LYS A 104 1.026 10.630 -2.655 1.00 50.41 H new ATOM 0 HE3 LYS A 104 1.165 11.969 -1.533 1.00 50.41 H new ATOM 0 HZ1 LYS A 104 3.346 11.530 -1.881 1.00 62.21 H new ATOM 0 HZ2 LYS A 104 3.096 10.466 -0.581 1.00 62.21 H new ATOM 0 HZ3 LYS A 104 3.105 9.874 -2.173 1.00 62.21 H new ATOM 1694 N MET A 105 -0.033 6.898 -1.125 1.00 43.12 N ATOM 1695 CA MET A 105 1.208 6.153 -0.912 1.00 2.33 C ATOM 1696 C MET A 105 1.282 4.975 -1.871 1.00 45.55 C ATOM 1697 O MET A 105 2.264 4.813 -2.594 1.00 33.01 O ATOM 1698 CB MET A 105 1.313 5.671 0.543 1.00 3.01 C ATOM 1699 CG MET A 105 2.679 5.111 0.918 1.00 5.23 C ATOM 1700 SD MET A 105 2.963 3.442 0.294 1.00 60.14 S ATOM 1701 CE MET A 105 4.687 3.209 0.727 1.00 63.34 C ATOM 0 H MET A 105 -0.699 6.838 -0.355 1.00 43.12 H new ATOM 0 HA MET A 105 2.049 6.819 -1.108 1.00 2.33 H new ATOM 0 HB2 MET A 105 1.079 6.503 1.207 1.00 3.01 H new ATOM 0 HB3 MET A 105 0.558 4.904 0.715 1.00 3.01 H new ATOM 0 HG2 MET A 105 3.454 5.773 0.531 1.00 5.23 H new ATOM 0 HG3 MET A 105 2.777 5.107 2.004 1.00 5.23 H new ATOM 0 HE1 MET A 105 5.012 2.220 0.406 1.00 63.34 H new ATOM 0 HE2 MET A 105 5.292 3.969 0.232 1.00 63.34 H new ATOM 0 HE3 MET A 105 4.806 3.297 1.807 1.00 63.34 H new ATOM 1711 N LEU A 106 0.222 4.175 -1.899 1.00 13.20 N ATOM 1712 CA LEU A 106 0.154 3.028 -2.796 1.00 65.23 C ATOM 1713 C LEU A 106 0.152 3.482 -4.249 1.00 74.25 C ATOM 1714 O LEU A 106 0.543 2.744 -5.155 1.00 73.43 O ATOM 1715 CB LEU A 106 -1.081 2.184 -2.471 1.00 5.14 C ATOM 1716 CG LEU A 106 -2.404 2.947 -2.367 1.00 13.34 C ATOM 1717 CD1 LEU A 106 -3.099 3.013 -3.715 1.00 13.54 C ATOM 1718 CD2 LEU A 106 -3.305 2.304 -1.325 1.00 61.24 C ATOM 0 H LEU A 106 -0.602 4.300 -1.311 1.00 13.20 H new ATOM 0 HA LEU A 106 1.038 2.408 -2.649 1.00 65.23 H new ATOM 0 HB2 LEU A 106 -1.185 1.417 -3.239 1.00 5.14 H new ATOM 0 HB3 LEU A 106 -0.906 1.668 -1.527 1.00 5.14 H new ATOM 0 HG LEU A 106 -2.187 3.968 -2.052 1.00 13.34 H new ATOM 0 HD11 LEU A 106 -4.036 3.560 -3.615 1.00 13.54 H new ATOM 0 HD12 LEU A 106 -2.456 3.524 -4.431 1.00 13.54 H new ATOM 0 HD13 LEU A 106 -3.305 2.003 -4.068 1.00 13.54 H new ATOM 0 HD21 LEU A 106 -4.242 2.858 -1.263 1.00 61.24 H new ATOM 0 HD22 LEU A 106 -3.512 1.272 -1.609 1.00 61.24 H new ATOM 0 HD23 LEU A 106 -2.809 2.320 -0.355 1.00 61.24 H new ATOM 1730 N TYR A 107 -0.275 4.715 -4.452 1.00 25.41 N ATOM 1731 CA TYR A 107 -0.278 5.320 -5.767 1.00 32.55 C ATOM 1732 C TYR A 107 1.131 5.772 -6.152 1.00 75.44 C ATOM 1733 O TYR A 107 1.509 5.730 -7.320 1.00 1.34 O ATOM 1734 CB TYR A 107 -1.244 6.500 -5.782 1.00 61.35 C ATOM 1735 CG TYR A 107 -1.337 7.195 -7.118 1.00 53.13 C ATOM 1736 CD1 TYR A 107 -2.253 6.785 -8.075 1.00 33.31 C ATOM 1737 CD2 TYR A 107 -0.506 8.263 -7.421 1.00 24.32 C ATOM 1738 CE1 TYR A 107 -2.338 7.419 -9.296 1.00 44.31 C ATOM 1739 CE2 TYR A 107 -0.585 8.900 -8.639 1.00 21.42 C ATOM 1740 CZ TYR A 107 -1.501 8.476 -9.573 1.00 11.24 C ATOM 1741 OH TYR A 107 -1.576 9.110 -10.790 1.00 22.13 O ATOM 0 H TYR A 107 -0.628 5.321 -3.712 1.00 25.41 H new ATOM 0 HA TYR A 107 -0.607 4.583 -6.499 1.00 32.55 H new ATOM 0 HB2 TYR A 107 -2.236 6.149 -5.496 1.00 61.35 H new ATOM 0 HB3 TYR A 107 -0.932 7.223 -5.028 1.00 61.35 H new ATOM 0 HD1 TYR A 107 -2.910 5.956 -7.860 1.00 33.31 H new ATOM 0 HD2 TYR A 107 0.214 8.600 -6.690 1.00 24.32 H new ATOM 0 HE1 TYR A 107 -3.057 7.088 -10.031 1.00 44.31 H new ATOM 0 HE2 TYR A 107 0.070 9.730 -8.860 1.00 21.42 H new ATOM 0 HH TYR A 107 -2.513 9.311 -10.997 1.00 22.13 H new ATOM 1751 N SER A 108 1.910 6.188 -5.158 1.00 60.34 N ATOM 1752 CA SER A 108 3.282 6.625 -5.390 1.00 14.23 C ATOM 1753 C SER A 108 4.130 5.452 -5.873 1.00 32.14 C ATOM 1754 O SER A 108 5.121 5.630 -6.580 1.00 74.02 O ATOM 1755 CB SER A 108 3.880 7.219 -4.108 1.00 1.32 C ATOM 1756 OG SER A 108 3.062 8.259 -3.588 1.00 44.55 O ATOM 0 H SER A 108 1.614 6.232 -4.183 1.00 60.34 H new ATOM 0 HA SER A 108 3.277 7.397 -6.159 1.00 14.23 H new ATOM 0 HB2 SER A 108 3.993 6.434 -3.360 1.00 1.32 H new ATOM 0 HB3 SER A 108 4.877 7.607 -4.316 1.00 1.32 H new ATOM 0 HG SER A 108 2.289 7.869 -3.129 1.00 44.55 H new ATOM 1762 N SER A 109 3.721 4.249 -5.495 1.00 44.42 N ATOM 1763 CA SER A 109 4.421 3.045 -5.898 1.00 2.44 C ATOM 1764 C SER A 109 4.026 2.632 -7.316 1.00 62.11 C ATOM 1765 O SER A 109 4.857 2.157 -8.091 1.00 53.11 O ATOM 1766 CB SER A 109 4.109 1.919 -4.915 1.00 13.33 C ATOM 1767 OG SER A 109 4.343 2.335 -3.579 1.00 53.41 O ATOM 0 H SER A 109 2.904 4.084 -4.907 1.00 44.42 H new ATOM 0 HA SER A 109 5.492 3.246 -5.891 1.00 2.44 H new ATOM 0 HB2 SER A 109 3.070 1.610 -5.027 1.00 13.33 H new ATOM 0 HB3 SER A 109 4.726 1.050 -5.143 1.00 13.33 H new ATOM 0 HG SER A 109 4.135 1.599 -2.966 1.00 53.41 H new ATOM 1773 N SER A 110 2.756 2.823 -7.656 1.00 62.42 N ATOM 1774 CA SER A 110 2.244 2.427 -8.959 1.00 45.13 C ATOM 1775 C SER A 110 2.488 3.494 -10.032 1.00 61.01 C ATOM 1776 O SER A 110 2.240 3.255 -11.213 1.00 21.23 O ATOM 1777 CB SER A 110 0.757 2.122 -8.829 1.00 2.12 C ATOM 1778 OG SER A 110 0.138 3.032 -7.932 1.00 11.12 O ATOM 0 H SER A 110 2.062 3.251 -7.044 1.00 62.42 H new ATOM 0 HA SER A 110 2.783 1.537 -9.284 1.00 45.13 H new ATOM 0 HB2 SER A 110 0.280 2.186 -9.807 1.00 2.12 H new ATOM 0 HB3 SER A 110 0.619 1.101 -8.473 1.00 2.12 H new ATOM 0 HG SER A 110 0.255 2.715 -7.012 1.00 11.12 H new ATOM 1784 N PHE A 111 2.991 4.656 -9.620 1.00 24.53 N ATOM 1785 CA PHE A 111 3.247 5.767 -10.541 1.00 71.12 C ATOM 1786 C PHE A 111 4.156 5.347 -11.701 1.00 52.32 C ATOM 1787 O PHE A 111 3.867 5.634 -12.860 1.00 40.34 O ATOM 1788 CB PHE A 111 3.868 6.947 -9.777 1.00 21.44 C ATOM 1789 CG PHE A 111 4.350 8.075 -10.656 1.00 75.40 C ATOM 1790 CD1 PHE A 111 3.483 9.077 -11.075 1.00 74.55 C ATOM 1791 CD2 PHE A 111 5.678 8.135 -11.061 1.00 21.11 C ATOM 1792 CE1 PHE A 111 3.933 10.108 -11.880 1.00 35.15 C ATOM 1793 CE2 PHE A 111 6.129 9.164 -11.866 1.00 14.42 C ATOM 1794 CZ PHE A 111 5.255 10.152 -12.275 1.00 51.30 C ATOM 0 H PHE A 111 3.231 4.855 -8.649 1.00 24.53 H new ATOM 0 HA PHE A 111 2.292 6.074 -10.969 1.00 71.12 H new ATOM 0 HB2 PHE A 111 3.131 7.338 -9.076 1.00 21.44 H new ATOM 0 HB3 PHE A 111 4.707 6.580 -9.185 1.00 21.44 H new ATOM 0 HD1 PHE A 111 2.448 9.050 -10.769 1.00 74.55 H new ATOM 0 HD2 PHE A 111 6.367 7.367 -10.742 1.00 21.11 H new ATOM 0 HE1 PHE A 111 3.249 10.880 -12.200 1.00 35.15 H new ATOM 0 HE2 PHE A 111 7.163 9.195 -12.175 1.00 14.42 H new ATOM 0 HZ PHE A 111 5.605 10.958 -12.903 1.00 51.30 H new ATOM 1804 N ASP A 112 5.254 4.674 -11.389 1.00 24.03 N ATOM 1805 CA ASP A 112 6.208 4.266 -12.418 1.00 63.24 C ATOM 1806 C ASP A 112 5.781 2.958 -13.077 1.00 34.32 C ATOM 1807 O ASP A 112 6.176 2.661 -14.205 1.00 32.33 O ATOM 1808 CB ASP A 112 7.613 4.125 -11.823 1.00 73.43 C ATOM 1809 CG ASP A 112 8.659 3.786 -12.870 1.00 52.53 C ATOM 1810 OD1 ASP A 112 8.844 4.585 -13.815 1.00 63.44 O ATOM 1811 OD2 ASP A 112 9.301 2.721 -12.759 1.00 32.32 O ATOM 0 H ASP A 112 5.508 4.399 -10.440 1.00 24.03 H new ATOM 0 HA ASP A 112 6.226 5.042 -13.183 1.00 63.24 H new ATOM 0 HB2 ASP A 112 7.889 5.056 -11.327 1.00 73.43 H new ATOM 0 HB3 ASP A 112 7.604 3.348 -11.059 1.00 73.43 H new ATOM 1816 N ALA A 113 4.949 2.197 -12.377 1.00 43.22 N ATOM 1817 CA ALA A 113 4.539 0.876 -12.835 1.00 5.25 C ATOM 1818 C ALA A 113 3.816 0.922 -14.180 1.00 32.22 C ATOM 1819 O ALA A 113 4.159 0.173 -15.095 1.00 31.34 O ATOM 1820 CB ALA A 113 3.659 0.210 -11.792 1.00 63.43 C ATOM 0 H ALA A 113 4.543 2.475 -11.484 1.00 43.22 H new ATOM 0 HA ALA A 113 5.447 0.290 -12.977 1.00 5.25 H new ATOM 0 HB1 ALA A 113 3.359 -0.776 -12.145 1.00 63.43 H new ATOM 0 HB2 ALA A 113 4.214 0.108 -10.859 1.00 63.43 H new ATOM 0 HB3 ALA A 113 2.772 0.820 -11.622 1.00 63.43 H new ATOM 1826 N LEU A 114 2.824 1.802 -14.309 1.00 4.42 N ATOM 1827 CA LEU A 114 2.029 1.851 -15.535 1.00 64.15 C ATOM 1828 C LEU A 114 2.779 2.569 -16.649 1.00 34.05 C ATOM 1829 O LEU A 114 2.449 2.410 -17.822 1.00 73.22 O ATOM 1830 CB LEU A 114 0.658 2.505 -15.314 1.00 53.12 C ATOM 1831 CG LEU A 114 0.627 4.034 -15.300 1.00 70.03 C ATOM 1832 CD1 LEU A 114 -0.807 4.521 -15.408 1.00 62.21 C ATOM 1833 CD2 LEU A 114 1.274 4.583 -14.042 1.00 70.04 C ATOM 0 H LEU A 114 2.555 2.479 -13.595 1.00 4.42 H new ATOM 0 HA LEU A 114 1.858 0.817 -15.835 1.00 64.15 H new ATOM 0 HB2 LEU A 114 -0.016 2.157 -16.096 1.00 53.12 H new ATOM 0 HB3 LEU A 114 0.258 2.147 -14.366 1.00 53.12 H new ATOM 0 HG LEU A 114 1.196 4.397 -16.156 1.00 70.03 H new ATOM 0 HD11 LEU A 114 -0.823 5.611 -15.398 1.00 62.21 H new ATOM 0 HD12 LEU A 114 -1.244 4.161 -16.339 1.00 62.21 H new ATOM 0 HD13 LEU A 114 -1.385 4.142 -14.565 1.00 62.21 H new ATOM 0 HD21 LEU A 114 1.237 5.672 -14.060 1.00 70.04 H new ATOM 0 HD22 LEU A 114 0.737 4.216 -13.167 1.00 70.04 H new ATOM 0 HD23 LEU A 114 2.313 4.256 -13.994 1.00 70.04 H new ATOM 1845 N LYS A 115 3.788 3.356 -16.281 1.00 63.15 N ATOM 1846 CA LYS A 115 4.644 4.020 -17.264 1.00 44.34 C ATOM 1847 C LYS A 115 5.301 2.986 -18.170 1.00 22.23 C ATOM 1848 O LYS A 115 5.566 3.241 -19.342 1.00 10.21 O ATOM 1849 CB LYS A 115 5.718 4.851 -16.557 1.00 10.12 C ATOM 1850 CG LYS A 115 5.167 6.056 -15.811 1.00 23.33 C ATOM 1851 CD LYS A 115 6.212 6.721 -14.917 1.00 70.40 C ATOM 1852 CE LYS A 115 7.428 7.219 -15.690 1.00 23.03 C ATOM 1853 NZ LYS A 115 8.406 6.132 -15.978 1.00 51.55 N ATOM 0 H LYS A 115 4.033 3.550 -15.310 1.00 63.15 H new ATOM 0 HA LYS A 115 4.028 4.684 -17.871 1.00 44.34 H new ATOM 0 HB2 LYS A 115 6.254 4.213 -15.854 1.00 10.12 H new ATOM 0 HB3 LYS A 115 6.444 5.193 -17.294 1.00 10.12 H new ATOM 0 HG2 LYS A 115 4.793 6.784 -16.531 1.00 23.33 H new ATOM 0 HG3 LYS A 115 4.318 5.745 -15.202 1.00 23.33 H new ATOM 0 HD2 LYS A 115 5.753 7.560 -14.393 1.00 70.40 H new ATOM 0 HD3 LYS A 115 6.537 6.010 -14.157 1.00 70.40 H new ATOM 0 HE2 LYS A 115 7.100 7.666 -16.628 1.00 23.03 H new ATOM 0 HE3 LYS A 115 7.921 8.005 -15.118 1.00 23.03 H new ATOM 0 HZ1 LYS A 115 9.373 6.489 -15.837 1.00 51.55 H new ATOM 0 HZ2 LYS A 115 8.235 5.332 -15.336 1.00 51.55 H new ATOM 0 HZ3 LYS A 115 8.293 5.816 -16.962 1.00 51.55 H new ATOM 1867 N LYS A 116 5.541 1.815 -17.603 1.00 41.32 N ATOM 1868 CA LYS A 116 6.115 0.695 -18.328 1.00 44.45 C ATOM 1869 C LYS A 116 5.104 0.124 -19.329 1.00 10.55 C ATOM 1870 O LYS A 116 5.481 -0.440 -20.356 1.00 35.34 O ATOM 1871 CB LYS A 116 6.569 -0.362 -17.306 1.00 42.35 C ATOM 1872 CG LYS A 116 7.030 -1.694 -17.887 1.00 15.01 C ATOM 1873 CD LYS A 116 5.895 -2.713 -17.944 1.00 21.25 C ATOM 1874 CE LYS A 116 5.187 -2.851 -16.600 1.00 2.14 C ATOM 1875 NZ LYS A 116 6.122 -3.208 -15.497 1.00 23.44 N ATOM 0 H LYS A 116 5.342 1.615 -16.623 1.00 41.32 H new ATOM 0 HA LYS A 116 6.978 1.022 -18.908 1.00 44.45 H new ATOM 0 HB2 LYS A 116 7.384 0.057 -16.717 1.00 42.35 H new ATOM 0 HB3 LYS A 116 5.745 -0.553 -16.619 1.00 42.35 H new ATOM 0 HG2 LYS A 116 7.426 -1.535 -18.890 1.00 15.01 H new ATOM 0 HG3 LYS A 116 7.845 -2.092 -17.282 1.00 15.01 H new ATOM 0 HD2 LYS A 116 5.175 -2.412 -18.705 1.00 21.25 H new ATOM 0 HD3 LYS A 116 6.292 -3.682 -18.247 1.00 21.25 H new ATOM 0 HE2 LYS A 116 4.687 -1.913 -16.359 1.00 2.14 H new ATOM 0 HE3 LYS A 116 4.413 -3.615 -16.677 1.00 2.14 H new ATOM 0 HZ1 LYS A 116 5.582 -3.373 -14.624 1.00 23.44 H new ATOM 0 HZ2 LYS A 116 6.644 -4.072 -15.750 1.00 23.44 H new ATOM 0 HZ3 LYS A 116 6.794 -2.429 -15.346 1.00 23.44 H new ATOM 1889 N SER A 117 3.822 0.297 -19.035 1.00 5.52 N ATOM 1890 CA SER A 117 2.762 -0.235 -19.882 1.00 13.13 C ATOM 1891 C SER A 117 2.349 0.771 -20.959 1.00 55.00 C ATOM 1892 O SER A 117 2.295 0.433 -22.140 1.00 0.11 O ATOM 1893 CB SER A 117 1.557 -0.611 -19.020 1.00 65.53 C ATOM 1894 OG SER A 117 1.952 -1.445 -17.945 1.00 44.12 O ATOM 0 H SER A 117 3.490 0.803 -18.214 1.00 5.52 H new ATOM 0 HA SER A 117 3.141 -1.124 -20.387 1.00 13.13 H new ATOM 0 HB2 SER A 117 1.085 0.292 -18.632 1.00 65.53 H new ATOM 0 HB3 SER A 117 0.813 -1.123 -19.630 1.00 65.53 H new ATOM 0 HG SER A 117 1.880 -0.949 -17.103 1.00 44.12 H new ATOM 1900 N LEU A 118 2.075 2.012 -20.551 1.00 10.54 N ATOM 1901 CA LEU A 118 1.631 3.050 -21.486 1.00 14.30 C ATOM 1902 C LEU A 118 2.819 3.739 -22.158 1.00 44.23 C ATOM 1903 O LEU A 118 2.707 4.878 -22.622 1.00 72.25 O ATOM 1904 CB LEU A 118 0.727 4.076 -20.777 1.00 70.20 C ATOM 1905 CG LEU A 118 1.231 4.638 -19.440 1.00 41.41 C ATOM 1906 CD1 LEU A 118 2.391 5.606 -19.629 1.00 13.01 C ATOM 1907 CD2 LEU A 118 0.089 5.320 -18.708 1.00 22.50 C ATOM 0 H LEU A 118 2.152 2.323 -19.583 1.00 10.54 H new ATOM 0 HA LEU A 118 1.046 2.565 -22.268 1.00 14.30 H new ATOM 0 HB2 LEU A 118 0.565 4.912 -21.457 1.00 70.20 H new ATOM 0 HB3 LEU A 118 -0.244 3.611 -20.605 1.00 70.20 H new ATOM 0 HG LEU A 118 1.601 3.803 -18.845 1.00 41.41 H new ATOM 0 HD11 LEU A 118 2.716 5.979 -18.658 1.00 13.01 H new ATOM 0 HD12 LEU A 118 3.219 5.091 -20.115 1.00 13.01 H new ATOM 0 HD13 LEU A 118 2.070 6.442 -20.250 1.00 13.01 H new ATOM 0 HD21 LEU A 118 0.451 5.718 -17.760 1.00 22.50 H new ATOM 0 HD22 LEU A 118 -0.299 6.135 -19.319 1.00 22.50 H new ATOM 0 HD23 LEU A 118 -0.705 4.598 -18.519 1.00 22.50 H new ATOM 1919 N VAL A 119 3.943 3.026 -22.221 1.00 31.32 N ATOM 1920 CA VAL A 119 5.156 3.534 -22.847 1.00 51.32 C ATOM 1921 C VAL A 119 4.854 4.067 -24.248 1.00 63.41 C ATOM 1922 O VAL A 119 4.209 3.401 -25.062 1.00 24.15 O ATOM 1923 CB VAL A 119 6.257 2.445 -22.905 1.00 0.41 C ATOM 1924 CG1 VAL A 119 5.772 1.203 -23.644 1.00 20.23 C ATOM 1925 CG2 VAL A 119 7.531 2.991 -23.543 1.00 3.43 C ATOM 0 H VAL A 119 4.035 2.084 -21.840 1.00 31.32 H new ATOM 0 HA VAL A 119 5.530 4.355 -22.235 1.00 51.32 H new ATOM 0 HB VAL A 119 6.486 2.154 -21.880 1.00 0.41 H new ATOM 0 HG11 VAL A 119 6.568 0.459 -23.667 1.00 20.23 H new ATOM 0 HG12 VAL A 119 4.904 0.790 -23.130 1.00 20.23 H new ATOM 0 HG13 VAL A 119 5.497 1.471 -24.664 1.00 20.23 H new ATOM 0 HG21 VAL A 119 8.288 2.207 -23.572 1.00 3.43 H new ATOM 0 HG22 VAL A 119 7.315 3.325 -24.558 1.00 3.43 H new ATOM 0 HG23 VAL A 119 7.901 3.831 -22.956 1.00 3.43 H new ATOM 1935 N GLY A 120 5.293 5.284 -24.504 1.00 33.51 N ATOM 1936 CA GLY A 120 4.962 5.950 -25.740 1.00 51.23 C ATOM 1937 C GLY A 120 4.420 7.335 -25.480 1.00 74.04 C ATOM 1938 O GLY A 120 4.355 8.168 -26.384 1.00 52.14 O ATOM 0 H GLY A 120 5.879 5.828 -23.871 1.00 33.51 H new ATOM 0 HA2 GLY A 120 5.848 6.015 -26.371 1.00 51.23 H new ATOM 0 HA3 GLY A 120 4.224 5.363 -26.287 1.00 51.23 H new ATOM 1942 N VAL A 121 4.014 7.571 -24.234 1.00 14.22 N ATOM 1943 CA VAL A 121 3.566 8.888 -23.810 1.00 1.52 C ATOM 1944 C VAL A 121 4.729 9.884 -23.881 1.00 13.04 C ATOM 1945 O VAL A 121 5.882 9.525 -23.627 1.00 10.12 O ATOM 1946 CB VAL A 121 2.976 8.847 -22.379 1.00 42.52 C ATOM 1947 CG1 VAL A 121 4.056 8.698 -21.320 1.00 5.11 C ATOM 1948 CG2 VAL A 121 2.146 10.079 -22.111 1.00 22.43 C ATOM 0 H VAL A 121 3.988 6.862 -23.501 1.00 14.22 H new ATOM 0 HA VAL A 121 2.775 9.213 -24.486 1.00 1.52 H new ATOM 0 HB VAL A 121 2.336 7.967 -22.320 1.00 42.52 H new ATOM 0 HG11 VAL A 121 3.596 8.674 -20.332 1.00 5.11 H new ATOM 0 HG12 VAL A 121 4.605 7.771 -21.488 1.00 5.11 H new ATOM 0 HG13 VAL A 121 4.743 9.542 -21.380 1.00 5.11 H new ATOM 0 HG21 VAL A 121 1.740 10.032 -21.101 1.00 22.43 H new ATOM 0 HG22 VAL A 121 2.770 10.967 -22.210 1.00 22.43 H new ATOM 0 HG23 VAL A 121 1.327 10.129 -22.829 1.00 22.43 H new ATOM 1958 N GLN A 122 4.435 11.125 -24.239 1.00 41.24 N ATOM 1959 CA GLN A 122 5.485 12.103 -24.487 1.00 62.21 C ATOM 1960 C GLN A 122 5.662 13.059 -23.310 1.00 33.41 C ATOM 1961 O GLN A 122 6.486 13.972 -23.363 1.00 55.41 O ATOM 1962 CB GLN A 122 5.190 12.881 -25.769 1.00 51.31 C ATOM 1963 CG GLN A 122 5.048 11.986 -26.993 1.00 1.33 C ATOM 1964 CD GLN A 122 4.874 12.767 -28.282 1.00 51.20 C ATOM 1965 OE1 GLN A 122 4.301 13.958 -28.187 1.00 24.11 O flip ATOM 1966 NE2 GLN A 122 5.257 12.308 -29.357 1.00 65.32 N flip ATOM 0 H GLN A 122 3.486 11.477 -24.364 1.00 41.24 H new ATOM 0 HA GLN A 122 6.422 11.559 -24.607 1.00 62.21 H new ATOM 0 HB2 GLN A 122 4.272 13.453 -25.636 1.00 51.31 H new ATOM 0 HB3 GLN A 122 5.991 13.600 -25.943 1.00 51.31 H new ATOM 0 HG2 GLN A 122 5.930 11.351 -27.076 1.00 1.33 H new ATOM 0 HG3 GLN A 122 4.191 11.326 -26.856 1.00 1.33 H new ATOM 0 HE21 GLN A 122 5.694 11.387 -29.392 1.00 65.32 H new ATOM 0 HE22 GLN A 122 5.138 12.848 -30.214 1.00 65.32 H new ATOM 1975 N LYS A 123 4.885 12.855 -22.253 1.00 34.53 N ATOM 1976 CA LYS A 123 5.047 13.630 -21.026 1.00 43.42 C ATOM 1977 C LYS A 123 4.302 12.984 -19.872 1.00 54.13 C ATOM 1978 O LYS A 123 3.168 12.542 -20.026 1.00 1.43 O ATOM 1979 CB LYS A 123 4.565 15.079 -21.197 1.00 11.21 C ATOM 1980 CG LYS A 123 4.586 15.881 -19.896 1.00 75.11 C ATOM 1981 CD LYS A 123 4.430 17.376 -20.136 1.00 23.13 C ATOM 1982 CE LYS A 123 5.497 17.878 -21.100 1.00 70.13 C ATOM 1983 NZ LYS A 123 5.547 19.359 -21.181 1.00 14.22 N ATOM 0 H LYS A 123 4.138 12.161 -22.219 1.00 34.53 H new ATOM 0 HA LYS A 123 6.114 13.646 -20.803 1.00 43.42 H new ATOM 0 HB2 LYS A 123 5.193 15.579 -21.934 1.00 11.21 H new ATOM 0 HB3 LYS A 123 3.550 15.072 -21.595 1.00 11.21 H new ATOM 0 HG2 LYS A 123 3.783 15.534 -19.245 1.00 75.11 H new ATOM 0 HG3 LYS A 123 5.524 15.695 -19.372 1.00 75.11 H new ATOM 0 HD2 LYS A 123 3.440 17.583 -20.541 1.00 23.13 H new ATOM 0 HD3 LYS A 123 4.506 17.912 -19.190 1.00 23.13 H new ATOM 0 HE2 LYS A 123 6.471 17.503 -20.785 1.00 70.13 H new ATOM 0 HE3 LYS A 123 5.304 17.471 -22.092 1.00 70.13 H new ATOM 0 HZ1 LYS A 123 5.833 19.645 -22.139 1.00 14.22 H new ATOM 0 HZ2 LYS A 123 4.607 19.750 -20.969 1.00 14.22 H new ATOM 0 HZ3 LYS A 123 6.236 19.721 -20.492 1.00 14.22 H new ATOM 1997 N TYR A 124 4.958 12.927 -18.727 1.00 53.22 N ATOM 1998 CA TYR A 124 4.331 12.479 -17.501 1.00 32.51 C ATOM 1999 C TYR A 124 4.440 13.576 -16.448 1.00 2.21 C ATOM 2000 O TYR A 124 5.534 13.918 -16.001 1.00 1.13 O ATOM 2001 CB TYR A 124 4.961 11.161 -17.011 1.00 3.02 C ATOM 2002 CG TYR A 124 6.477 11.095 -17.117 1.00 4.25 C ATOM 2003 CD1 TYR A 124 7.096 10.759 -18.319 1.00 13.10 C ATOM 2004 CD2 TYR A 124 7.288 11.354 -16.017 1.00 4.14 C ATOM 2005 CE1 TYR A 124 8.472 10.689 -18.420 1.00 24.02 C ATOM 2006 CE2 TYR A 124 8.666 11.284 -16.112 1.00 31.10 C ATOM 2007 CZ TYR A 124 9.253 10.951 -17.316 1.00 14.23 C ATOM 2008 OH TYR A 124 10.625 10.879 -17.415 1.00 14.44 O ATOM 0 H TYR A 124 5.938 13.190 -18.623 1.00 53.22 H new ATOM 0 HA TYR A 124 3.276 12.279 -17.688 1.00 32.51 H new ATOM 0 HB2 TYR A 124 4.677 11.005 -15.970 1.00 3.02 H new ATOM 0 HB3 TYR A 124 4.535 10.337 -17.584 1.00 3.02 H new ATOM 0 HD1 TYR A 124 6.489 10.549 -19.188 1.00 13.10 H new ATOM 0 HD2 TYR A 124 6.834 11.614 -15.072 1.00 4.14 H new ATOM 0 HE1 TYR A 124 8.934 10.430 -19.361 1.00 24.02 H new ATOM 0 HE2 TYR A 124 9.280 11.489 -15.248 1.00 31.10 H new ATOM 0 HH TYR A 124 11.027 11.093 -16.547 1.00 14.44 H new ATOM 2018 N ILE A 125 3.303 14.152 -16.085 1.00 11.44 N ATOM 2019 CA ILE A 125 3.282 15.235 -15.116 1.00 44.33 C ATOM 2020 C ILE A 125 2.243 14.970 -14.029 1.00 41.45 C ATOM 2021 O ILE A 125 1.074 14.708 -14.310 1.00 2.34 O ATOM 2022 CB ILE A 125 3.033 16.611 -15.782 1.00 72.23 C ATOM 2023 CG1 ILE A 125 3.080 17.715 -14.718 1.00 1.11 C ATOM 2024 CG2 ILE A 125 1.711 16.628 -16.544 1.00 42.12 C ATOM 2025 CD1 ILE A 125 3.121 19.114 -15.286 1.00 45.22 C ATOM 0 H ILE A 125 2.386 13.888 -16.446 1.00 11.44 H new ATOM 0 HA ILE A 125 4.270 15.271 -14.656 1.00 44.33 H new ATOM 0 HB ILE A 125 3.822 16.795 -16.511 1.00 72.23 H new ATOM 0 HG12 ILE A 125 2.206 17.621 -14.073 1.00 1.11 H new ATOM 0 HG13 ILE A 125 3.958 17.563 -14.090 1.00 1.11 H new ATOM 0 HG21 ILE A 125 1.566 17.608 -17.000 1.00 42.12 H new ATOM 0 HG22 ILE A 125 1.730 15.865 -17.322 1.00 42.12 H new ATOM 0 HG23 ILE A 125 0.891 16.423 -15.855 1.00 42.12 H new ATOM 0 HD11 ILE A 125 3.153 19.837 -14.471 1.00 45.22 H new ATOM 0 HD12 ILE A 125 4.009 19.228 -15.907 1.00 45.22 H new ATOM 0 HD13 ILE A 125 2.231 19.288 -15.890 1.00 45.22 H new ATOM 2037 N GLN A 126 2.685 15.007 -12.785 1.00 42.01 N ATOM 2038 CA GLN A 126 1.792 14.797 -11.658 1.00 23.01 C ATOM 2039 C GLN A 126 0.932 16.033 -11.420 1.00 74.21 C ATOM 2040 O GLN A 126 1.394 17.166 -11.551 1.00 43.34 O ATOM 2041 CB GLN A 126 2.594 14.443 -10.402 1.00 60.45 C ATOM 2042 CG GLN A 126 1.772 14.386 -9.124 1.00 31.33 C ATOM 2043 CD GLN A 126 2.621 14.079 -7.906 1.00 4.35 C ATOM 2044 OE1 GLN A 126 3.155 14.980 -7.266 1.00 1.20 O ATOM 2045 NE2 GLN A 126 2.744 12.803 -7.573 1.00 53.42 N ATOM 0 H GLN A 126 3.657 15.180 -12.529 1.00 42.01 H new ATOM 0 HA GLN A 126 1.130 13.962 -11.889 1.00 23.01 H new ATOM 0 HB2 GLN A 126 3.074 13.476 -10.553 1.00 60.45 H new ATOM 0 HB3 GLN A 126 3.389 15.178 -10.275 1.00 60.45 H new ATOM 0 HG2 GLN A 126 1.264 15.339 -8.979 1.00 31.33 H new ATOM 0 HG3 GLN A 126 0.998 13.625 -9.226 1.00 31.33 H new ATOM 0 HE21 GLN A 126 2.284 12.084 -8.131 1.00 53.42 H new ATOM 0 HE22 GLN A 126 3.299 12.540 -6.758 1.00 53.42 H new ATOM 2054 N ALA A 127 -0.326 15.796 -11.102 1.00 51.43 N ATOM 2055 CA ALA A 127 -1.255 16.853 -10.759 1.00 1.30 C ATOM 2056 C ALA A 127 -1.727 16.649 -9.330 1.00 34.51 C ATOM 2057 O ALA A 127 -2.423 15.678 -9.032 1.00 74.33 O ATOM 2058 CB ALA A 127 -2.433 16.864 -11.724 1.00 73.12 C ATOM 0 H ALA A 127 -0.733 14.861 -11.074 1.00 51.43 H new ATOM 0 HA ALA A 127 -0.756 17.819 -10.838 1.00 1.30 H new ATOM 0 HB1 ALA A 127 -3.120 17.665 -11.450 1.00 73.12 H new ATOM 0 HB2 ALA A 127 -2.071 17.028 -12.739 1.00 73.12 H new ATOM 0 HB3 ALA A 127 -2.953 15.907 -11.675 1.00 73.12 H new ATOM 2064 N THR A 128 -1.333 17.550 -8.452 1.00 75.31 N ATOM 2065 CA THR A 128 -1.616 17.403 -7.039 1.00 21.45 C ATOM 2066 C THR A 128 -3.028 17.864 -6.703 1.00 31.01 C ATOM 2067 O THR A 128 -3.920 17.060 -6.432 1.00 14.35 O ATOM 2068 CB THR A 128 -0.611 18.211 -6.197 1.00 71.14 C ATOM 2069 OG1 THR A 128 -0.507 19.548 -6.714 1.00 71.42 O ATOM 2070 CG2 THR A 128 0.759 17.560 -6.209 1.00 31.23 C ATOM 0 H THR A 128 -0.814 18.394 -8.694 1.00 75.31 H new ATOM 0 HA THR A 128 -1.526 16.343 -6.802 1.00 21.45 H new ATOM 0 HB THR A 128 -0.974 18.237 -5.170 1.00 71.14 H new ATOM 0 HG1 THR A 128 0.132 20.059 -6.174 1.00 71.42 H new ATOM 0 HG21 THR A 128 1.448 18.152 -5.607 1.00 31.23 H new ATOM 0 HG22 THR A 128 0.687 16.554 -5.795 1.00 31.23 H new ATOM 0 HG23 THR A 128 1.127 17.506 -7.234 1.00 31.23 H new ATOM 2078 N ASP A 129 -3.218 19.170 -6.737 1.00 13.44 N ATOM 2079 CA ASP A 129 -4.476 19.778 -6.351 1.00 31.21 C ATOM 2080 C ASP A 129 -5.381 19.945 -7.568 1.00 13.34 C ATOM 2081 O ASP A 129 -4.938 19.778 -8.706 1.00 2.21 O ATOM 2082 CB ASP A 129 -4.197 21.137 -5.701 1.00 70.21 C ATOM 2083 CG ASP A 129 -5.408 21.727 -5.013 1.00 11.41 C ATOM 2084 OD1 ASP A 129 -6.210 22.398 -5.687 1.00 55.22 O ATOM 2085 OD2 ASP A 129 -5.561 21.519 -3.791 1.00 43.42 O ATOM 0 H ASP A 129 -2.505 19.837 -7.033 1.00 13.44 H new ATOM 0 HA ASP A 129 -4.987 19.133 -5.636 1.00 31.21 H new ATOM 0 HB2 ASP A 129 -3.392 21.027 -4.975 1.00 70.21 H new ATOM 0 HB3 ASP A 129 -3.845 21.832 -6.463 1.00 70.21 H new ATOM 2090 N LEU A 130 -6.643 20.286 -7.324 1.00 14.21 N ATOM 2091 CA LEU A 130 -7.598 20.544 -8.395 1.00 64.22 C ATOM 2092 C LEU A 130 -7.140 21.737 -9.228 1.00 4.14 C ATOM 2093 O LEU A 130 -7.523 21.887 -10.386 1.00 52.40 O ATOM 2094 CB LEU A 130 -8.992 20.816 -7.817 1.00 63.13 C ATOM 2095 CG LEU A 130 -9.540 19.732 -6.884 1.00 32.12 C ATOM 2096 CD1 LEU A 130 -10.917 20.122 -6.369 1.00 72.41 C ATOM 2097 CD2 LEU A 130 -9.599 18.388 -7.594 1.00 1.15 C ATOM 0 H LEU A 130 -7.029 20.390 -6.386 1.00 14.21 H new ATOM 0 HA LEU A 130 -7.650 19.662 -9.033 1.00 64.22 H new ATOM 0 HB2 LEU A 130 -8.963 21.760 -7.272 1.00 63.13 H new ATOM 0 HB3 LEU A 130 -9.690 20.947 -8.644 1.00 63.13 H new ATOM 0 HG LEU A 130 -8.864 19.639 -6.034 1.00 32.12 H new ATOM 0 HD11 LEU A 130 -11.293 19.341 -5.707 1.00 72.41 H new ATOM 0 HD12 LEU A 130 -10.848 21.061 -5.820 1.00 72.41 H new ATOM 0 HD13 LEU A 130 -11.599 20.244 -7.210 1.00 72.41 H new ATOM 0 HD21 LEU A 130 -9.991 17.633 -6.912 1.00 1.15 H new ATOM 0 HD22 LEU A 130 -10.251 18.465 -8.464 1.00 1.15 H new ATOM 0 HD23 LEU A 130 -8.597 18.102 -7.915 1.00 1.15 H new ATOM 2109 N SER A 131 -6.315 22.584 -8.623 1.00 34.53 N ATOM 2110 CA SER A 131 -5.698 23.703 -9.322 1.00 61.05 C ATOM 2111 C SER A 131 -4.865 23.218 -10.511 1.00 55.15 C ATOM 2112 O SER A 131 -4.722 23.920 -11.513 1.00 13.33 O ATOM 2113 CB SER A 131 -4.810 24.479 -8.354 1.00 73.41 C ATOM 2114 OG SER A 131 -5.556 24.938 -7.237 1.00 71.23 O ATOM 0 H SER A 131 -6.056 22.514 -7.639 1.00 34.53 H new ATOM 0 HA SER A 131 -6.488 24.351 -9.702 1.00 61.05 H new ATOM 0 HB2 SER A 131 -3.993 23.842 -8.014 1.00 73.41 H new ATOM 0 HB3 SER A 131 -4.359 25.328 -8.869 1.00 73.41 H new ATOM 0 HG SER A 131 -5.771 24.181 -6.654 1.00 71.23 H new ATOM 2120 N GLU A 132 -4.332 22.005 -10.394 1.00 14.41 N ATOM 2121 CA GLU A 132 -3.488 21.431 -11.434 1.00 20.45 C ATOM 2122 C GLU A 132 -4.324 20.603 -12.402 1.00 41.03 C ATOM 2123 O GLU A 132 -3.795 19.972 -13.320 1.00 2.40 O ATOM 2124 CB GLU A 132 -2.391 20.563 -10.810 1.00 33.44 C ATOM 2125 CG GLU A 132 -1.507 21.312 -9.824 1.00 12.24 C ATOM 2126 CD GLU A 132 -0.683 22.406 -10.477 1.00 1.50 C ATOM 2127 OE1 GLU A 132 -1.273 23.374 -10.998 1.00 63.00 O ATOM 2128 OE2 GLU A 132 0.560 22.313 -10.452 1.00 50.53 O ATOM 0 H GLU A 132 -4.471 21.399 -9.585 1.00 14.41 H new ATOM 0 HA GLU A 132 -3.020 22.246 -11.987 1.00 20.45 H new ATOM 0 HB2 GLU A 132 -2.854 19.718 -10.300 1.00 33.44 H new ATOM 0 HB3 GLU A 132 -1.768 20.153 -11.605 1.00 33.44 H new ATOM 0 HG2 GLU A 132 -2.131 21.751 -9.046 1.00 12.24 H new ATOM 0 HG3 GLU A 132 -0.838 20.604 -9.334 1.00 12.24 H new ATOM 2135 N ALA A 133 -5.631 20.605 -12.191 1.00 1.14 N ATOM 2136 CA ALA A 133 -6.542 19.881 -13.056 1.00 41.41 C ATOM 2137 C ALA A 133 -7.750 20.740 -13.404 1.00 15.04 C ATOM 2138 O ALA A 133 -8.764 20.736 -12.709 1.00 11.41 O ATOM 2139 CB ALA A 133 -6.973 18.574 -12.413 1.00 30.15 C ATOM 0 H ALA A 133 -6.084 21.103 -11.424 1.00 1.14 H new ATOM 0 HA ALA A 133 -6.017 19.644 -13.981 1.00 41.41 H new ATOM 0 HB1 ALA A 133 -7.656 18.048 -13.080 1.00 30.15 H new ATOM 0 HB2 ALA A 133 -6.096 17.953 -12.228 1.00 30.15 H new ATOM 0 HB3 ALA A 133 -7.476 18.782 -11.469 1.00 30.15 H new ATOM 2145 N SER A 134 -7.614 21.511 -14.462 1.00 72.53 N ATOM 2146 CA SER A 134 -8.692 22.348 -14.952 1.00 61.02 C ATOM 2147 C SER A 134 -8.586 22.442 -16.467 1.00 64.14 C ATOM 2148 O SER A 134 -7.528 22.156 -17.021 1.00 70.23 O ATOM 2149 CB SER A 134 -8.625 23.732 -14.303 1.00 43.23 C ATOM 2150 OG SER A 134 -8.774 23.638 -12.894 1.00 12.25 O ATOM 0 H SER A 134 -6.754 21.576 -15.007 1.00 72.53 H new ATOM 0 HA SER A 134 -9.655 21.911 -14.689 1.00 61.02 H new ATOM 0 HB2 SER A 134 -7.672 24.204 -14.541 1.00 43.23 H new ATOM 0 HB3 SER A 134 -9.408 24.369 -14.714 1.00 43.23 H new ATOM 0 HG SER A 134 -8.726 24.534 -12.500 1.00 12.25 H new ATOM 2156 N ARG A 135 -9.663 22.856 -17.130 1.00 43.23 N ATOM 2157 CA ARG A 135 -9.752 22.757 -18.592 1.00 61.23 C ATOM 2158 C ARG A 135 -8.590 23.485 -19.270 1.00 31.02 C ATOM 2159 O ARG A 135 -7.947 22.944 -20.166 1.00 63.55 O ATOM 2160 CB ARG A 135 -11.083 23.315 -19.123 1.00 11.03 C ATOM 2161 CG ARG A 135 -12.215 23.350 -18.106 1.00 41.22 C ATOM 2162 CD ARG A 135 -12.568 21.967 -17.582 1.00 11.11 C ATOM 2163 NE ARG A 135 -13.696 22.015 -16.653 1.00 31.21 N ATOM 2164 CZ ARG A 135 -13.727 21.425 -15.460 1.00 32.45 C ATOM 2165 NH1 ARG A 135 -12.671 20.759 -15.009 1.00 4.21 N ATOM 2166 NH2 ARG A 135 -14.824 21.506 -14.721 1.00 24.51 N ATOM 0 H ARG A 135 -10.485 23.262 -16.684 1.00 43.23 H new ATOM 0 HA ARG A 135 -9.699 21.696 -18.835 1.00 61.23 H new ATOM 0 HB2 ARG A 135 -10.915 24.327 -19.492 1.00 11.03 H new ATOM 0 HB3 ARG A 135 -11.398 22.713 -19.975 1.00 11.03 H new ATOM 0 HG2 ARG A 135 -11.930 23.990 -17.271 1.00 41.22 H new ATOM 0 HG3 ARG A 135 -13.097 23.798 -18.564 1.00 41.22 H new ATOM 0 HD2 ARG A 135 -12.812 21.312 -18.418 1.00 11.11 H new ATOM 0 HD3 ARG A 135 -11.702 21.535 -17.081 1.00 11.11 H new ATOM 0 HE ARG A 135 -14.522 22.540 -16.941 1.00 31.21 H new ATOM 0 HH11 ARG A 135 -11.827 20.696 -15.578 1.00 4.21 H new ATOM 0 HH12 ARG A 135 -12.704 20.310 -14.094 1.00 4.21 H new ATOM 0 HH21 ARG A 135 -15.636 22.017 -15.067 1.00 24.51 H new ATOM 0 HH22 ARG A 135 -14.857 21.057 -13.806 1.00 24.51 H new ATOM 2180 N GLU A 136 -8.319 24.707 -18.827 1.00 11.42 N ATOM 2181 CA GLU A 136 -7.248 25.511 -19.406 1.00 62.42 C ATOM 2182 C GLU A 136 -5.891 25.116 -18.820 1.00 22.43 C ATOM 2183 O GLU A 136 -4.860 25.196 -19.491 1.00 30.53 O ATOM 2184 CB GLU A 136 -7.518 26.995 -19.151 1.00 23.32 C ATOM 2185 CG GLU A 136 -6.511 27.919 -19.813 1.00 4.35 C ATOM 2186 CD GLU A 136 -6.749 29.376 -19.483 1.00 71.52 C ATOM 2187 OE1 GLU A 136 -7.631 29.995 -20.107 1.00 14.34 O ATOM 2188 OE2 GLU A 136 -6.049 29.914 -18.599 1.00 31.20 O ATOM 0 H GLU A 136 -8.826 25.163 -18.069 1.00 11.42 H new ATOM 0 HA GLU A 136 -7.221 25.328 -20.480 1.00 62.42 H new ATOM 0 HB2 GLU A 136 -8.517 27.241 -19.512 1.00 23.32 H new ATOM 0 HB3 GLU A 136 -7.514 27.177 -18.076 1.00 23.32 H new ATOM 0 HG2 GLU A 136 -5.506 27.639 -19.498 1.00 4.35 H new ATOM 0 HG3 GLU A 136 -6.556 27.784 -20.894 1.00 4.35 H new ATOM 2195 N ALA A 137 -5.905 24.667 -17.573 1.00 22.54 N ATOM 2196 CA ALA A 137 -4.676 24.362 -16.849 1.00 25.45 C ATOM 2197 C ALA A 137 -4.001 23.100 -17.376 1.00 53.30 C ATOM 2198 O ALA A 137 -2.814 22.876 -17.142 1.00 52.54 O ATOM 2199 CB ALA A 137 -4.965 24.217 -15.364 1.00 5.33 C ATOM 0 H ALA A 137 -6.758 24.505 -17.038 1.00 22.54 H new ATOM 0 HA ALA A 137 -3.989 25.193 -17.006 1.00 25.45 H new ATOM 0 HB1 ALA A 137 -4.040 23.989 -14.834 1.00 5.33 H new ATOM 0 HB2 ALA A 137 -5.382 25.149 -14.982 1.00 5.33 H new ATOM 0 HB3 ALA A 137 -5.680 23.409 -15.210 1.00 5.33 H new ATOM 2205 N VAL A 138 -4.757 22.269 -18.081 1.00 51.22 N ATOM 2206 CA VAL A 138 -4.226 21.015 -18.593 1.00 40.35 C ATOM 2207 C VAL A 138 -3.185 21.243 -19.692 1.00 23.01 C ATOM 2208 O VAL A 138 -2.090 20.676 -19.642 1.00 51.34 O ATOM 2209 CB VAL A 138 -5.352 20.090 -19.119 1.00 53.24 C ATOM 2210 CG1 VAL A 138 -4.778 18.912 -19.896 1.00 44.22 C ATOM 2211 CG2 VAL A 138 -6.205 19.586 -17.966 1.00 53.23 C ATOM 0 H VAL A 138 -5.736 22.440 -18.310 1.00 51.22 H new ATOM 0 HA VAL A 138 -3.736 20.522 -17.753 1.00 40.35 H new ATOM 0 HB VAL A 138 -5.976 20.674 -19.795 1.00 53.24 H new ATOM 0 HG11 VAL A 138 -5.592 18.280 -20.253 1.00 44.22 H new ATOM 0 HG12 VAL A 138 -4.206 19.282 -20.747 1.00 44.22 H new ATOM 0 HG13 VAL A 138 -4.126 18.330 -19.245 1.00 44.22 H new ATOM 0 HG21 VAL A 138 -6.992 18.938 -18.352 1.00 53.23 H new ATOM 0 HG22 VAL A 138 -5.581 19.025 -17.270 1.00 53.23 H new ATOM 0 HG23 VAL A 138 -6.655 20.433 -17.449 1.00 53.23 H new ATOM 2221 N GLU A 139 -3.500 22.100 -20.660 1.00 4.32 N ATOM 2222 CA GLU A 139 -2.666 22.214 -21.851 1.00 73.51 C ATOM 2223 C GLU A 139 -1.360 22.958 -21.579 1.00 73.20 C ATOM 2224 O GLU A 139 -0.375 22.731 -22.270 1.00 20.14 O ATOM 2225 CB GLU A 139 -3.409 22.894 -23.010 1.00 50.05 C ATOM 2226 CG GLU A 139 -3.525 24.405 -22.883 1.00 15.23 C ATOM 2227 CD GLU A 139 -3.676 25.088 -24.231 1.00 74.02 C ATOM 2228 OE1 GLU A 139 -2.650 25.314 -24.910 1.00 40.25 O ATOM 2229 OE2 GLU A 139 -4.815 25.401 -24.624 1.00 3.23 O ATOM 0 H GLU A 139 -4.313 22.716 -20.644 1.00 4.32 H new ATOM 0 HA GLU A 139 -2.425 21.191 -22.139 1.00 73.51 H new ATOM 0 HB2 GLU A 139 -2.896 22.659 -23.942 1.00 50.05 H new ATOM 0 HB3 GLU A 139 -4.411 22.470 -23.082 1.00 50.05 H new ATOM 0 HG2 GLU A 139 -4.383 24.650 -22.256 1.00 15.23 H new ATOM 0 HG3 GLU A 139 -2.640 24.794 -22.379 1.00 15.23 H new ATOM 2236 N GLU A 140 -1.331 23.824 -20.573 1.00 21.25 N ATOM 2237 CA GLU A 140 -0.172 24.694 -20.379 1.00 10.13 C ATOM 2238 C GLU A 140 1.079 23.911 -19.983 1.00 55.24 C ATOM 2239 O GLU A 140 2.197 24.352 -20.249 1.00 44.14 O ATOM 2240 CB GLU A 140 -0.465 25.798 -19.364 1.00 21.22 C ATOM 2241 CG GLU A 140 -0.782 25.310 -17.964 1.00 40.40 C ATOM 2242 CD GLU A 140 -1.135 26.456 -17.043 1.00 20.01 C ATOM 2243 OE1 GLU A 140 -0.214 27.152 -16.569 1.00 3.51 O ATOM 2244 OE2 GLU A 140 -2.338 26.687 -16.818 1.00 21.51 O ATOM 0 H GLU A 140 -2.079 23.944 -19.890 1.00 21.25 H new ATOM 0 HA GLU A 140 0.030 25.163 -21.342 1.00 10.13 H new ATOM 0 HB2 GLU A 140 0.396 26.464 -19.315 1.00 21.22 H new ATOM 0 HB3 GLU A 140 -1.306 26.390 -19.726 1.00 21.22 H new ATOM 0 HG2 GLU A 140 -1.612 24.605 -18.003 1.00 40.40 H new ATOM 0 HG3 GLU A 140 0.076 24.771 -17.563 1.00 40.40 H new ATOM 2251 N LYS A 141 0.899 22.745 -19.372 1.00 34.40 N ATOM 2252 CA LYS A 141 2.041 21.907 -19.019 1.00 32.32 C ATOM 2253 C LYS A 141 2.593 21.245 -20.269 1.00 74.41 C ATOM 2254 O LYS A 141 3.798 21.230 -20.507 1.00 24.01 O ATOM 2255 CB LYS A 141 1.653 20.812 -18.021 1.00 74.15 C ATOM 2256 CG LYS A 141 0.499 21.177 -17.115 1.00 42.12 C ATOM 2257 CD LYS A 141 -0.068 19.939 -16.453 1.00 52.10 C ATOM 2258 CE LYS A 141 -1.151 20.297 -15.449 1.00 62.45 C ATOM 2259 NZ LYS A 141 -1.727 19.096 -14.790 1.00 54.24 N ATOM 0 H LYS A 141 -0.011 22.362 -19.114 1.00 34.40 H new ATOM 0 HA LYS A 141 2.790 22.550 -18.558 1.00 32.32 H new ATOM 0 HB2 LYS A 141 1.395 19.908 -18.573 1.00 74.15 H new ATOM 0 HB3 LYS A 141 2.521 20.573 -17.406 1.00 74.15 H new ATOM 0 HG2 LYS A 141 0.835 21.882 -16.354 1.00 42.12 H new ATOM 0 HG3 LYS A 141 -0.279 21.677 -17.691 1.00 42.12 H new ATOM 0 HD2 LYS A 141 -0.479 19.274 -17.212 1.00 52.10 H new ATOM 0 HD3 LYS A 141 0.731 19.394 -15.950 1.00 52.10 H new ATOM 0 HE2 LYS A 141 -0.736 20.961 -14.691 1.00 62.45 H new ATOM 0 HE3 LYS A 141 -1.945 20.847 -15.954 1.00 62.45 H new ATOM 0 HZ1 LYS A 141 -2.708 19.292 -14.507 1.00 54.24 H new ATOM 0 HZ2 LYS A 141 -1.711 18.295 -15.453 1.00 54.24 H new ATOM 0 HZ3 LYS A 141 -1.165 18.859 -13.948 1.00 54.24 H new ATOM 2273 N LEU A 142 1.690 20.710 -21.070 1.00 41.43 N ATOM 2274 CA LEU A 142 2.060 19.935 -22.238 1.00 2.24 C ATOM 2275 C LEU A 142 2.489 20.833 -23.396 1.00 54.02 C ATOM 2276 O LEU A 142 3.375 20.470 -24.168 1.00 62.24 O ATOM 2277 CB LEU A 142 0.891 19.028 -22.635 1.00 41.13 C ATOM 2278 CG LEU A 142 -0.458 19.721 -22.851 1.00 32.44 C ATOM 2279 CD1 LEU A 142 -0.640 20.119 -24.310 1.00 2.43 C ATOM 2280 CD2 LEU A 142 -1.595 18.824 -22.388 1.00 13.02 C ATOM 0 H LEU A 142 0.684 20.800 -20.930 1.00 41.43 H new ATOM 0 HA LEU A 142 2.922 19.315 -21.990 1.00 2.24 H new ATOM 0 HB2 LEU A 142 1.159 18.506 -23.553 1.00 41.13 H new ATOM 0 HB3 LEU A 142 0.767 18.270 -21.862 1.00 41.13 H new ATOM 0 HG LEU A 142 -0.474 20.632 -22.253 1.00 32.44 H new ATOM 0 HD11 LEU A 142 -1.606 20.609 -24.436 1.00 2.43 H new ATOM 0 HD12 LEU A 142 0.155 20.805 -24.602 1.00 2.43 H new ATOM 0 HD13 LEU A 142 -0.600 19.229 -24.938 1.00 2.43 H new ATOM 0 HD21 LEU A 142 -2.547 19.331 -22.548 1.00 13.02 H new ATOM 0 HD22 LEU A 142 -1.579 17.894 -22.956 1.00 13.02 H new ATOM 0 HD23 LEU A 142 -1.476 18.603 -21.327 1.00 13.02 H new ATOM 2292 N ARG A 143 1.882 22.014 -23.488 1.00 32.00 N ATOM 2293 CA ARG A 143 2.155 22.940 -24.585 1.00 33.04 C ATOM 2294 C ARG A 143 3.547 23.548 -24.450 1.00 61.11 C ATOM 2295 O ARG A 143 4.104 24.070 -25.412 1.00 60.15 O ATOM 2296 CB ARG A 143 1.091 24.046 -24.641 1.00 74.25 C ATOM 2297 CG ARG A 143 1.342 25.213 -23.696 1.00 10.30 C ATOM 2298 CD ARG A 143 0.174 26.189 -23.696 1.00 4.42 C ATOM 2299 NE ARG A 143 0.597 27.554 -23.389 1.00 11.22 N ATOM 2300 CZ ARG A 143 -0.070 28.397 -22.597 1.00 11.04 C ATOM 2301 NH1 ARG A 143 -1.182 28.012 -21.979 1.00 61.44 N ATOM 2302 NH2 ARG A 143 0.379 29.633 -22.431 1.00 32.11 N ATOM 0 H ARG A 143 1.196 22.353 -22.814 1.00 32.00 H new ATOM 0 HA ARG A 143 2.116 22.377 -25.517 1.00 33.04 H new ATOM 0 HB2 ARG A 143 1.034 24.427 -25.661 1.00 74.25 H new ATOM 0 HB3 ARG A 143 0.119 23.610 -24.409 1.00 74.25 H new ATOM 0 HG2 ARG A 143 1.504 24.837 -22.686 1.00 10.30 H new ATOM 0 HG3 ARG A 143 2.253 25.733 -23.992 1.00 10.30 H new ATOM 0 HD2 ARG A 143 -0.312 26.172 -24.671 1.00 4.42 H new ATOM 0 HD3 ARG A 143 -0.567 25.867 -22.965 1.00 4.42 H new ATOM 0 HE ARG A 143 1.464 27.887 -23.810 1.00 11.22 H new ATOM 0 HH11 ARG A 143 -1.534 27.063 -22.107 1.00 61.44 H new ATOM 0 HH12 ARG A 143 -1.683 28.665 -21.376 1.00 61.44 H new ATOM 0 HH21 ARG A 143 1.229 29.935 -22.907 1.00 32.11 H new ATOM 0 HH22 ARG A 143 -0.126 30.282 -21.827 1.00 32.11 H new ATOM 2316 N ALA A 144 4.100 23.471 -23.245 1.00 64.14 N ATOM 2317 CA ALA A 144 5.436 23.989 -22.970 1.00 32.14 C ATOM 2318 C ALA A 144 6.519 23.197 -23.705 1.00 20.20 C ATOM 2319 O ALA A 144 7.700 23.528 -23.620 1.00 2.43 O ATOM 2320 CB ALA A 144 5.701 23.983 -21.472 1.00 71.24 C ATOM 0 H ALA A 144 3.640 23.052 -22.437 1.00 64.14 H new ATOM 0 HA ALA A 144 5.475 25.014 -23.339 1.00 32.14 H new ATOM 0 HB1 ALA A 144 6.701 24.371 -21.278 1.00 71.24 H new ATOM 0 HB2 ALA A 144 4.964 24.610 -20.970 1.00 71.24 H new ATOM 0 HB3 ALA A 144 5.628 22.963 -21.094 1.00 71.24 H new ATOM 2326 N THR A 145 6.122 22.131 -24.389 1.00 4.02 N ATOM 2327 CA THR A 145 7.062 21.321 -25.153 1.00 4.11 C ATOM 2328 C THR A 145 6.667 21.289 -26.636 1.00 23.14 C ATOM 2329 O THR A 145 7.235 20.538 -27.432 1.00 11.10 O ATOM 2330 CB THR A 145 7.134 19.887 -24.582 1.00 44.22 C ATOM 2331 OG1 THR A 145 7.228 19.950 -23.152 1.00 3.34 O ATOM 2332 CG2 THR A 145 8.340 19.125 -25.124 1.00 20.21 C ATOM 0 H THR A 145 5.156 21.807 -24.430 1.00 4.02 H new ATOM 0 HA THR A 145 8.050 21.775 -25.070 1.00 4.11 H new ATOM 0 HB THR A 145 6.230 19.359 -24.886 1.00 44.22 H new ATOM 0 HG1 THR A 145 7.586 19.104 -22.810 1.00 3.34 H new ATOM 0 HG21 THR A 145 8.357 18.121 -24.700 1.00 20.21 H new ATOM 0 HG22 THR A 145 8.271 19.059 -26.210 1.00 20.21 H new ATOM 0 HG23 THR A 145 9.255 19.650 -24.850 1.00 20.21 H new ATOM 2340 N ASP A 146 5.695 22.116 -27.010 1.00 30.44 N ATOM 2341 CA ASP A 146 5.300 22.224 -28.410 1.00 13.43 C ATOM 2342 C ASP A 146 6.309 23.079 -29.161 1.00 13.14 C ATOM 2343 O ASP A 146 6.399 24.290 -28.950 1.00 5.35 O ATOM 2344 CB ASP A 146 3.883 22.795 -28.554 1.00 42.35 C ATOM 2345 CG ASP A 146 2.810 21.734 -28.384 1.00 62.51 C ATOM 2346 OD1 ASP A 146 2.483 21.046 -29.376 1.00 31.40 O ATOM 2347 OD2 ASP A 146 2.287 21.567 -27.260 1.00 63.22 O ATOM 0 H ASP A 146 5.172 22.715 -26.371 1.00 30.44 H new ATOM 0 HA ASP A 146 5.287 21.224 -28.843 1.00 13.43 H new ATOM 0 HB2 ASP A 146 3.734 23.580 -27.813 1.00 42.35 H new ATOM 0 HB3 ASP A 146 3.779 23.259 -29.535 1.00 42.35 H new ATOM 2352 N ARG A 147 7.086 22.424 -30.012 1.00 74.10 N ATOM 2353 CA ARG A 147 8.193 23.061 -30.714 1.00 75.22 C ATOM 2354 C ARG A 147 7.718 24.134 -31.690 1.00 61.43 C ATOM 2355 O ARG A 147 6.888 23.878 -32.562 1.00 71.43 O ATOM 2356 CB ARG A 147 9.009 22.002 -31.459 1.00 13.11 C ATOM 2357 CG ARG A 147 10.114 22.573 -32.332 1.00 63.34 C ATOM 2358 CD ARG A 147 10.891 21.472 -33.033 1.00 31.13 C ATOM 2359 NE ARG A 147 11.853 22.009 -33.992 1.00 12.10 N ATOM 2360 CZ ARG A 147 12.971 21.389 -34.358 1.00 74.43 C ATOM 2361 NH1 ARG A 147 13.276 20.204 -33.847 1.00 3.44 N ATOM 2362 NH2 ARG A 147 13.791 21.959 -35.231 1.00 41.25 N ATOM 0 H ARG A 147 6.967 21.436 -30.236 1.00 74.10 H new ATOM 0 HA ARG A 147 8.816 23.554 -29.968 1.00 75.22 H new ATOM 0 HB2 ARG A 147 9.450 21.320 -30.732 1.00 13.11 H new ATOM 0 HB3 ARG A 147 8.337 21.412 -32.082 1.00 13.11 H new ATOM 0 HG2 ARG A 147 9.683 23.245 -33.074 1.00 63.34 H new ATOM 0 HG3 ARG A 147 10.793 23.167 -31.720 1.00 63.34 H new ATOM 0 HD2 ARG A 147 11.416 20.869 -32.291 1.00 31.13 H new ATOM 0 HD3 ARG A 147 10.196 20.809 -33.549 1.00 31.13 H new ATOM 0 HE ARG A 147 11.654 22.919 -34.408 1.00 12.10 H new ATOM 0 HH11 ARG A 147 12.652 19.764 -33.170 1.00 3.44 H new ATOM 0 HH12 ARG A 147 14.135 19.732 -34.131 1.00 3.44 H new ATOM 0 HH21 ARG A 147 13.564 22.873 -35.622 1.00 41.25 H new ATOM 0 HH22 ARG A 147 14.648 21.483 -35.511 1.00 41.25 H new ATOM 2376 N GLN A 148 8.265 25.331 -31.532 1.00 33.24 N ATOM 2377 CA GLN A 148 8.000 26.433 -32.442 1.00 31.52 C ATOM 2378 C GLN A 148 9.322 27.055 -32.885 1.00 74.42 C ATOM 2379 O GLN A 148 10.181 27.321 -32.012 1.00 21.52 O ATOM 2380 CB GLN A 148 7.081 27.479 -31.787 1.00 14.14 C ATOM 2381 CG GLN A 148 7.669 28.162 -30.559 1.00 41.10 C ATOM 2382 CD GLN A 148 8.083 29.599 -30.831 1.00 15.41 C ATOM 2383 OE1 GLN A 148 7.296 30.532 -30.652 1.00 35.21 O ATOM 2384 NE2 GLN A 148 9.314 29.788 -31.273 1.00 41.31 N ATOM 2385 OXT GLN A 148 9.508 27.270 -34.097 1.00 0.00 O ATOM 0 H GLN A 148 8.903 25.564 -30.771 1.00 33.24 H new ATOM 0 HA GLN A 148 7.479 26.053 -33.321 1.00 31.52 H new ATOM 0 HB2 GLN A 148 6.835 28.241 -32.527 1.00 14.14 H new ATOM 0 HB3 GLN A 148 6.146 26.995 -31.504 1.00 14.14 H new ATOM 0 HG2 GLN A 148 6.936 28.146 -29.753 1.00 41.10 H new ATOM 0 HG3 GLN A 148 8.535 27.597 -30.214 1.00 41.10 H new ATOM 0 HE21 GLN A 148 9.935 28.990 -31.408 1.00 41.31 H new ATOM 0 HE22 GLN A 148 9.643 30.731 -31.479 1.00 41.31 H new TER 2394 GLN A 148