USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 944 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 98 LYS NZ :NH3+ -169:sc= 0.681 (180deg=-0.836) USER MOD Set 1.2: A 103 GLN : amide:sc= 0.667 K(o=1.3,f=-8.3!) USER MOD Set 2.1: A 37 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.4!) USER MOD Set 2.2: A 38 GLN : amide:sc= -0.0261 K(o=-1.1,f=-1.9) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.195 (180deg=-0.842) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.131 (180deg=-0.0188) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 4 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.65) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00023) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.00078) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00433 USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= 0.929 (180deg=-0.0886) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -1.39 F(o=-2.5,f=-1.4) USER MOD Single : A 40 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.31) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -47:sc= 0.47 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 53 GLN : amide:sc= -5.36! C(o=-5.4!,f=-6.4!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 60 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.62) USER MOD Single : A 61 SER OG : rot -76:sc= 1.12 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0114 F(o=-1.2,f=-0.011) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.353 F(o=-0.88,f=-0.35) USER MOD Single : A 77 MET CE :methyl -161:sc= -0.0433 (180deg=-0.377) USER MOD Single : A 78 ASN : amide:sc= 0.379 X(o=0.38,f=-0.03) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.105 F(o=-1.5!,f=-0.1) USER MOD Single : A 83 MET CE :methyl 174:sc= -1.07 (180deg=-1.16) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.053 F(o=-4.1!,f=-0.053) USER MOD Single : A 89 SER OG : rot -92:sc= 1.19 USER MOD Single : A 92 MET CE :methyl -167:sc= -1.72 (180deg=-2.33) USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= 1.39 (180deg=0.0671) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.72) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 112 MET CE :methyl 141:sc= -3.1! (180deg=-7.55!) USER MOD Single : A 113 LYS NZ :NH3+ -164:sc= 2.28 (180deg=1.88) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= -0.0384 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.960 -49.850 -39.968 1.00 23.31 N ATOM 2 CA MET A 1 30.417 -49.834 -39.704 1.00 10.44 C ATOM 3 C MET A 1 31.047 -48.603 -40.333 1.00 65.41 C ATOM 4 O MET A 1 30.342 -47.679 -40.749 1.00 20.30 O ATOM 5 CB MET A 1 31.085 -51.098 -40.253 1.00 1.12 C ATOM 6 CG MET A 1 30.709 -52.367 -39.509 1.00 61.35 C ATOM 7 SD MET A 1 31.535 -53.828 -40.169 1.00 62.40 S ATOM 8 CE MET A 1 33.256 -53.381 -39.945 1.00 62.43 C ATOM 0 H1 MET A 1 28.450 -50.060 -39.087 1.00 23.31 H new ATOM 0 H2 MET A 1 28.662 -48.921 -40.327 1.00 23.31 H new ATOM 0 H3 MET A 1 28.743 -50.580 -40.676 1.00 23.31 H new ATOM 0 HA MET A 1 30.568 -49.805 -38.625 1.00 10.44 H new ATOM 0 HB2 MET A 1 30.817 -51.212 -41.303 1.00 1.12 H new ATOM 0 HB3 MET A 1 32.167 -50.972 -40.212 1.00 1.12 H new ATOM 0 HG2 MET A 1 30.964 -52.255 -38.455 1.00 61.35 H new ATOM 0 HG3 MET A 1 29.630 -52.509 -39.563 1.00 61.35 H new ATOM 0 HE1 MET A 1 33.871 -54.281 -39.964 1.00 62.43 H new ATOM 0 HE2 MET A 1 33.566 -52.713 -40.748 1.00 62.43 H new ATOM 0 HE3 MET A 1 33.379 -52.877 -38.986 1.00 62.43 H new ATOM 20 N GLY A 2 32.370 -48.588 -40.394 1.00 43.32 N ATOM 21 CA GLY A 2 33.069 -47.435 -40.910 1.00 11.24 C ATOM 22 C GLY A 2 33.137 -46.347 -39.869 1.00 70.31 C ATOM 23 O GLY A 2 33.006 -45.161 -40.179 1.00 74.50 O ATOM 0 H GLY A 2 32.971 -49.356 -40.094 1.00 43.32 H new ATOM 0 HA2 GLY A 2 34.077 -47.719 -41.213 1.00 11.24 H new ATOM 0 HA3 GLY A 2 32.561 -47.063 -41.800 1.00 11.24 H new ATOM 27 N HIS A 3 33.331 -46.755 -38.623 1.00 50.42 N ATOM 28 CA HIS A 3 33.320 -45.826 -37.508 1.00 10.02 C ATOM 29 C HIS A 3 34.632 -45.054 -37.425 1.00 44.33 C ATOM 30 O HIS A 3 35.582 -45.472 -36.759 1.00 35.21 O ATOM 31 CB HIS A 3 33.046 -46.557 -36.186 1.00 33.41 C ATOM 32 CG HIS A 3 32.914 -45.637 -35.006 1.00 30.32 C ATOM 33 ND1 HIS A 3 33.813 -45.614 -33.966 1.00 42.52 N ATOM 34 CD2 HIS A 3 31.983 -44.700 -34.714 1.00 71.12 C ATOM 35 CE1 HIS A 3 33.442 -44.706 -33.084 1.00 44.00 C ATOM 36 NE2 HIS A 3 32.334 -44.134 -33.515 1.00 51.41 N ATOM 0 H HIS A 3 33.498 -47.726 -38.361 1.00 50.42 H new ATOM 0 HA HIS A 3 32.514 -45.113 -37.680 1.00 10.02 H new ATOM 0 HB2 HIS A 3 32.130 -47.140 -36.286 1.00 33.41 H new ATOM 0 HB3 HIS A 3 33.854 -47.263 -35.997 1.00 33.41 H new ATOM 0 HD2 HIS A 3 31.122 -44.445 -35.314 1.00 71.12 H new ATOM 0 HE1 HIS A 3 33.958 -44.471 -32.165 1.00 44.00 H new ATOM 0 HE2 HIS A 3 31.823 -43.393 -33.036 1.00 51.41 H new ATOM 45 N HIS A 4 34.685 -43.944 -38.133 1.00 32.52 N ATOM 46 CA HIS A 4 35.796 -43.020 -38.024 1.00 15.24 C ATOM 47 C HIS A 4 35.283 -41.602 -38.212 1.00 21.45 C ATOM 48 O HIS A 4 35.114 -41.118 -39.328 1.00 74.42 O ATOM 49 CB HIS A 4 36.934 -43.363 -39.006 1.00 24.41 C ATOM 50 CG HIS A 4 36.561 -43.362 -40.462 1.00 73.00 C ATOM 51 ND1 HIS A 4 36.846 -42.311 -41.306 1.00 12.30 N ATOM 52 CD2 HIS A 4 35.961 -44.304 -41.229 1.00 61.44 C ATOM 53 CE1 HIS A 4 36.441 -42.606 -42.526 1.00 1.30 C ATOM 54 NE2 HIS A 4 35.901 -43.807 -42.507 1.00 53.40 N ATOM 0 H HIS A 4 33.964 -43.658 -38.796 1.00 32.52 H new ATOM 0 HA HIS A 4 36.232 -43.107 -37.029 1.00 15.24 H new ATOM 0 HB2 HIS A 4 37.745 -42.650 -38.857 1.00 24.41 H new ATOM 0 HB3 HIS A 4 37.325 -44.348 -38.751 1.00 24.41 H new ATOM 0 HD2 HIS A 4 35.598 -45.266 -40.897 1.00 61.44 H new ATOM 0 HE1 HIS A 4 36.536 -41.970 -43.394 1.00 1.30 H new ATOM 0 HE2 HIS A 4 35.502 -44.290 -43.312 1.00 53.40 H new ATOM 63 N HIS A 5 34.977 -40.961 -37.100 1.00 53.42 N ATOM 64 CA HIS A 5 34.384 -39.636 -37.132 1.00 14.31 C ATOM 65 C HIS A 5 34.917 -38.802 -35.976 1.00 73.50 C ATOM 66 O HIS A 5 34.476 -38.953 -34.838 1.00 62.24 O ATOM 67 CB HIS A 5 32.857 -39.746 -37.047 1.00 50.00 C ATOM 68 CG HIS A 5 32.122 -38.564 -37.606 1.00 13.22 C ATOM 69 ND1 HIS A 5 31.227 -38.666 -38.650 1.00 74.42 N ATOM 70 CD2 HIS A 5 32.146 -37.255 -37.261 1.00 42.22 C ATOM 71 CE1 HIS A 5 30.738 -37.472 -38.925 1.00 44.43 C ATOM 72 NE2 HIS A 5 31.277 -36.598 -38.095 1.00 15.45 N ATOM 0 H HIS A 5 35.129 -41.335 -36.163 1.00 53.42 H new ATOM 0 HA HIS A 5 34.650 -39.147 -38.069 1.00 14.31 H new ATOM 0 HB2 HIS A 5 32.539 -40.642 -37.579 1.00 50.00 H new ATOM 0 HB3 HIS A 5 32.571 -39.877 -36.003 1.00 50.00 H new ATOM 0 HD2 HIS A 5 32.739 -36.811 -36.475 1.00 42.22 H new ATOM 0 HE1 HIS A 5 30.018 -37.247 -39.698 1.00 44.43 H new ATOM 0 HE2 HIS A 5 31.080 -35.597 -38.077 1.00 15.45 H new ATOM 81 N HIS A 6 35.878 -37.939 -36.265 1.00 61.12 N ATOM 82 CA HIS A 6 36.506 -37.120 -35.234 1.00 32.31 C ATOM 83 C HIS A 6 36.571 -35.666 -35.666 1.00 52.45 C ATOM 84 O HIS A 6 37.086 -35.358 -36.741 1.00 15.14 O ATOM 85 CB HIS A 6 37.922 -37.617 -34.926 1.00 33.11 C ATOM 86 CG HIS A 6 37.985 -39.044 -34.488 1.00 25.40 C ATOM 87 ND1 HIS A 6 37.401 -39.505 -33.329 1.00 14.25 N ATOM 88 CD2 HIS A 6 38.563 -40.119 -35.069 1.00 71.34 C ATOM 89 CE1 HIS A 6 37.621 -40.799 -33.215 1.00 33.50 C ATOM 90 NE2 HIS A 6 38.321 -41.197 -34.260 1.00 34.22 N ATOM 0 H HIS A 6 36.242 -37.786 -37.205 1.00 61.12 H new ATOM 0 HA HIS A 6 35.895 -37.202 -34.335 1.00 32.31 H new ATOM 0 HB2 HIS A 6 38.540 -37.493 -35.815 1.00 33.11 H new ATOM 0 HB3 HIS A 6 38.355 -36.989 -34.147 1.00 33.11 H new ATOM 0 HD2 HIS A 6 39.113 -40.126 -35.998 1.00 71.34 H new ATOM 0 HE1 HIS A 6 37.285 -41.428 -32.403 1.00 33.50 H new ATOM 0 HE2 HIS A 6 38.631 -42.152 -34.437 1.00 34.22 H new ATOM 99 N HIS A 7 36.044 -34.784 -34.832 1.00 3.23 N ATOM 100 CA HIS A 7 36.109 -33.353 -35.088 1.00 41.33 C ATOM 101 C HIS A 7 36.052 -32.596 -33.764 1.00 21.53 C ATOM 102 O HIS A 7 35.423 -33.056 -32.811 1.00 53.24 O ATOM 103 CB HIS A 7 34.960 -32.920 -36.004 1.00 53.31 C ATOM 104 CG HIS A 7 35.344 -31.854 -36.977 1.00 14.30 C ATOM 105 ND1 HIS A 7 35.889 -32.133 -38.212 1.00 31.31 N ATOM 106 CD2 HIS A 7 35.266 -30.503 -36.901 1.00 15.22 C ATOM 107 CE1 HIS A 7 36.130 -31.007 -38.851 1.00 4.43 C ATOM 108 NE2 HIS A 7 35.762 -30.002 -38.081 1.00 74.31 N ATOM 0 H HIS A 7 35.564 -35.035 -33.968 1.00 3.23 H new ATOM 0 HA HIS A 7 37.048 -33.122 -35.591 1.00 41.33 H new ATOM 0 HB2 HIS A 7 34.597 -33.789 -36.553 1.00 53.31 H new ATOM 0 HB3 HIS A 7 34.133 -32.561 -35.391 1.00 53.31 H new ATOM 0 HD2 HIS A 7 34.886 -29.928 -36.070 1.00 15.22 H new ATOM 0 HE1 HIS A 7 36.557 -30.921 -39.839 1.00 4.43 H new ATOM 0 HE2 HIS A 7 35.834 -29.013 -38.322 1.00 74.31 H new ATOM 117 N HIS A 8 36.719 -31.451 -33.700 1.00 72.14 N ATOM 118 CA HIS A 8 36.785 -30.670 -32.472 1.00 53.55 C ATOM 119 C HIS A 8 36.196 -29.277 -32.696 1.00 35.15 C ATOM 120 O HIS A 8 36.540 -28.601 -33.666 1.00 73.14 O ATOM 121 CB HIS A 8 38.242 -30.576 -32.011 1.00 63.15 C ATOM 122 CG HIS A 8 38.432 -29.880 -30.701 1.00 72.34 C ATOM 123 ND1 HIS A 8 38.891 -28.586 -30.597 1.00 60.40 N ATOM 124 CD2 HIS A 8 38.243 -30.312 -29.434 1.00 73.35 C ATOM 125 CE1 HIS A 8 38.978 -28.253 -29.325 1.00 43.02 C ATOM 126 NE2 HIS A 8 38.589 -29.282 -28.599 1.00 1.01 N ATOM 0 H HIS A 8 37.223 -31.042 -34.487 1.00 72.14 H new ATOM 0 HA HIS A 8 36.198 -31.162 -31.696 1.00 53.55 H new ATOM 0 HB2 HIS A 8 38.652 -31.583 -31.936 1.00 63.15 H new ATOM 0 HB3 HIS A 8 38.819 -30.053 -32.774 1.00 63.15 H new ATOM 0 HD2 HIS A 8 37.886 -31.287 -29.136 1.00 73.35 H new ATOM 0 HE1 HIS A 8 39.311 -27.300 -28.943 1.00 43.02 H new ATOM 0 HE2 HIS A 8 38.552 -29.308 -27.580 1.00 1.01 H new ATOM 135 N SER A 9 35.309 -28.858 -31.801 1.00 14.44 N ATOM 136 CA SER A 9 34.632 -27.572 -31.934 1.00 12.51 C ATOM 137 C SER A 9 34.441 -26.898 -30.574 1.00 20.23 C ATOM 138 O SER A 9 34.185 -27.561 -29.567 1.00 64.22 O ATOM 139 CB SER A 9 33.275 -27.774 -32.611 1.00 1.03 C ATOM 140 OG SER A 9 33.423 -28.388 -33.880 1.00 42.21 O ATOM 0 H SER A 9 35.041 -29.391 -30.974 1.00 14.44 H new ATOM 0 HA SER A 9 35.256 -26.920 -32.546 1.00 12.51 H new ATOM 0 HB2 SER A 9 32.638 -28.391 -31.978 1.00 1.03 H new ATOM 0 HB3 SER A 9 32.776 -26.812 -32.725 1.00 1.03 H new ATOM 0 HG SER A 9 32.541 -28.507 -34.291 1.00 42.21 H new ATOM 146 N HIS A 10 34.577 -25.579 -30.550 1.00 0.50 N ATOM 147 CA HIS A 10 34.360 -24.798 -29.338 1.00 55.44 C ATOM 148 C HIS A 10 33.586 -23.528 -29.653 1.00 2.10 C ATOM 149 O HIS A 10 33.975 -22.748 -30.522 1.00 51.44 O ATOM 150 CB HIS A 10 35.688 -24.426 -28.679 1.00 74.52 C ATOM 151 CG HIS A 10 36.091 -25.339 -27.565 1.00 64.01 C ATOM 152 ND1 HIS A 10 36.203 -24.921 -26.257 1.00 74.23 N ATOM 153 CD2 HIS A 10 36.424 -26.648 -27.566 1.00 63.43 C ATOM 154 CE1 HIS A 10 36.588 -25.932 -25.505 1.00 24.22 C ATOM 155 NE2 HIS A 10 36.728 -26.992 -26.275 1.00 62.33 N ATOM 0 H HIS A 10 34.839 -25.023 -31.364 1.00 0.50 H new ATOM 0 HA HIS A 10 33.783 -25.414 -28.649 1.00 55.44 H new ATOM 0 HB2 HIS A 10 36.471 -24.427 -29.437 1.00 74.52 H new ATOM 0 HB3 HIS A 10 35.618 -23.409 -28.294 1.00 74.52 H new ATOM 0 HD2 HIS A 10 36.446 -27.302 -28.425 1.00 63.43 H new ATOM 0 HE1 HIS A 10 36.760 -25.898 -24.439 1.00 24.22 H new ATOM 0 HE2 HIS A 10 37.016 -27.919 -25.961 1.00 62.33 H new ATOM 164 N MET A 11 32.488 -23.326 -28.949 1.00 10.04 N ATOM 165 CA MET A 11 31.695 -22.119 -29.112 1.00 14.23 C ATOM 166 C MET A 11 31.198 -21.635 -27.759 1.00 14.51 C ATOM 167 O MET A 11 30.120 -22.019 -27.304 1.00 54.21 O ATOM 168 CB MET A 11 30.519 -22.360 -30.062 1.00 62.41 C ATOM 169 CG MET A 11 29.713 -21.106 -30.358 1.00 13.23 C ATOM 170 SD MET A 11 28.347 -21.408 -31.496 1.00 51.40 S ATOM 171 CE MET A 11 27.686 -19.751 -31.657 1.00 43.43 C ATOM 0 H MET A 11 32.124 -23.982 -28.258 1.00 10.04 H new ATOM 0 HA MET A 11 32.328 -21.348 -29.551 1.00 14.23 H new ATOM 0 HB2 MET A 11 30.897 -22.769 -30.999 1.00 62.41 H new ATOM 0 HB3 MET A 11 29.860 -23.112 -29.628 1.00 62.41 H new ATOM 0 HG2 MET A 11 29.320 -20.703 -29.425 1.00 13.23 H new ATOM 0 HG3 MET A 11 30.372 -20.347 -30.781 1.00 13.23 H new ATOM 0 HE1 MET A 11 26.830 -19.765 -32.332 1.00 43.43 H new ATOM 0 HE2 MET A 11 27.371 -19.388 -30.679 1.00 43.43 H new ATOM 0 HE3 MET A 11 28.454 -19.090 -32.059 1.00 43.43 H new ATOM 181 N ALA A 12 32.011 -20.824 -27.102 1.00 32.25 N ATOM 182 CA ALA A 12 31.662 -20.272 -25.803 1.00 63.52 C ATOM 183 C ALA A 12 31.730 -18.753 -25.832 1.00 5.40 C ATOM 184 O ALA A 12 32.775 -18.170 -26.138 1.00 51.31 O ATOM 185 CB ALA A 12 32.581 -20.826 -24.724 1.00 72.13 C ATOM 0 H ALA A 12 32.924 -20.532 -27.450 1.00 32.25 H new ATOM 0 HA ALA A 12 30.639 -20.566 -25.569 1.00 63.52 H new ATOM 0 HB1 ALA A 12 32.305 -20.402 -23.758 1.00 72.13 H new ATOM 0 HB2 ALA A 12 32.484 -21.911 -24.685 1.00 72.13 H new ATOM 0 HB3 ALA A 12 33.613 -20.562 -24.955 1.00 72.13 H new ATOM 191 N GLN A 13 30.607 -18.122 -25.535 1.00 5.31 N ATOM 192 CA GLN A 13 30.519 -16.671 -25.493 1.00 50.41 C ATOM 193 C GLN A 13 29.429 -16.248 -24.515 1.00 42.42 C ATOM 194 O GLN A 13 28.243 -16.367 -24.813 1.00 75.44 O ATOM 195 CB GLN A 13 30.228 -16.110 -26.889 1.00 33.34 C ATOM 196 CG GLN A 13 30.175 -14.592 -26.940 1.00 74.22 C ATOM 197 CD GLN A 13 29.989 -14.060 -28.347 1.00 63.33 C ATOM 198 OE1 GLN A 13 29.378 -14.711 -29.197 1.00 40.44 O ATOM 199 NE2 GLN A 13 30.527 -12.881 -28.603 1.00 71.03 N ATOM 0 H GLN A 13 29.732 -18.599 -25.317 1.00 5.31 H new ATOM 0 HA GLN A 13 31.475 -16.270 -25.155 1.00 50.41 H new ATOM 0 HB2 GLN A 13 30.995 -16.461 -27.579 1.00 33.34 H new ATOM 0 HB3 GLN A 13 29.277 -16.510 -27.240 1.00 33.34 H new ATOM 0 HG2 GLN A 13 29.357 -14.240 -26.312 1.00 74.22 H new ATOM 0 HG3 GLN A 13 31.096 -14.186 -26.521 1.00 74.22 H new ATOM 0 HE21 GLN A 13 31.024 -12.377 -27.869 1.00 71.03 H new ATOM 0 HE22 GLN A 13 30.445 -12.475 -29.535 1.00 71.03 H new ATOM 208 N PHE A 14 29.831 -15.766 -23.349 1.00 34.12 N ATOM 209 CA PHE A 14 28.875 -15.419 -22.309 1.00 2.34 C ATOM 210 C PHE A 14 29.072 -13.975 -21.847 1.00 15.04 C ATOM 211 O PHE A 14 30.125 -13.620 -21.314 1.00 41.52 O ATOM 212 CB PHE A 14 29.020 -16.381 -21.126 1.00 62.12 C ATOM 213 CG PHE A 14 27.906 -16.287 -20.120 1.00 54.22 C ATOM 214 CD1 PHE A 14 26.721 -16.978 -20.320 1.00 43.14 C ATOM 215 CD2 PHE A 14 28.042 -15.519 -18.976 1.00 42.03 C ATOM 216 CE1 PHE A 14 25.693 -16.900 -19.400 1.00 41.10 C ATOM 217 CE2 PHE A 14 27.018 -15.438 -18.053 1.00 40.13 C ATOM 218 CZ PHE A 14 25.841 -16.130 -18.266 1.00 34.51 C ATOM 0 H PHE A 14 30.807 -15.607 -23.100 1.00 34.12 H new ATOM 0 HA PHE A 14 27.869 -15.508 -22.720 1.00 2.34 H new ATOM 0 HB2 PHE A 14 29.068 -17.402 -21.505 1.00 62.12 H new ATOM 0 HB3 PHE A 14 29.967 -16.183 -20.624 1.00 62.12 H new ATOM 0 HD1 PHE A 14 26.600 -17.584 -21.205 1.00 43.14 H new ATOM 0 HD2 PHE A 14 28.960 -14.977 -18.803 1.00 42.03 H new ATOM 0 HE1 PHE A 14 24.774 -17.442 -19.569 1.00 41.10 H new ATOM 0 HE2 PHE A 14 27.137 -14.834 -17.165 1.00 40.13 H new ATOM 0 HZ PHE A 14 25.039 -16.068 -17.546 1.00 34.51 H new ATOM 228 N PRO A 15 28.068 -13.118 -22.080 1.00 55.40 N ATOM 229 CA PRO A 15 28.090 -11.729 -21.630 1.00 32.24 C ATOM 230 C PRO A 15 27.623 -11.576 -20.180 1.00 40.25 C ATOM 231 O PRO A 15 26.714 -12.282 -19.730 1.00 34.44 O ATOM 232 CB PRO A 15 27.116 -11.049 -22.588 1.00 72.54 C ATOM 233 CG PRO A 15 26.126 -12.107 -22.950 1.00 63.55 C ATOM 234 CD PRO A 15 26.836 -13.435 -22.827 1.00 43.01 C ATOM 0 HA PRO A 15 29.094 -11.304 -21.642 1.00 32.24 H new ATOM 0 HB2 PRO A 15 26.628 -10.197 -22.115 1.00 72.54 H new ATOM 0 HB3 PRO A 15 27.631 -10.671 -23.472 1.00 72.54 H new ATOM 0 HG2 PRO A 15 25.261 -12.069 -22.288 1.00 63.55 H new ATOM 0 HG3 PRO A 15 25.757 -11.959 -23.965 1.00 63.55 H new ATOM 0 HD2 PRO A 15 26.225 -14.166 -22.297 1.00 43.01 H new ATOM 0 HD3 PRO A 15 27.061 -13.858 -23.806 1.00 43.01 H new ATOM 242 N THR A 16 28.246 -10.655 -19.457 1.00 51.24 N ATOM 243 CA THR A 16 27.900 -10.410 -18.063 1.00 35.21 C ATOM 244 C THR A 16 27.759 -8.914 -17.774 1.00 74.22 C ATOM 245 O THR A 16 28.729 -8.243 -17.421 1.00 15.22 O ATOM 246 CB THR A 16 28.952 -11.022 -17.114 1.00 34.32 C ATOM 247 OG1 THR A 16 30.269 -10.857 -17.664 1.00 3.33 O ATOM 248 CG2 THR A 16 28.676 -12.498 -16.869 1.00 72.12 C ATOM 0 H THR A 16 28.996 -10.063 -19.814 1.00 51.24 H new ATOM 0 HA THR A 16 26.938 -10.890 -17.885 1.00 35.21 H new ATOM 0 HB THR A 16 28.891 -10.499 -16.160 1.00 34.32 H new ATOM 0 HG1 THR A 16 30.929 -11.247 -17.054 1.00 3.33 H new ATOM 0 HG21 THR A 16 29.433 -12.903 -16.197 1.00 72.12 H new ATOM 0 HG22 THR A 16 27.691 -12.614 -16.418 1.00 72.12 H new ATOM 0 HG23 THR A 16 28.707 -13.036 -17.816 1.00 72.12 H new ATOM 256 N PRO A 17 26.550 -8.361 -17.952 1.00 5.22 N ATOM 257 CA PRO A 17 26.281 -6.953 -17.695 1.00 34.01 C ATOM 258 C PRO A 17 25.826 -6.692 -16.261 1.00 71.43 C ATOM 259 O PRO A 17 25.755 -7.610 -15.438 1.00 72.21 O ATOM 260 CB PRO A 17 25.152 -6.660 -18.674 1.00 51.30 C ATOM 261 CG PRO A 17 24.381 -7.938 -18.754 1.00 4.22 C ATOM 262 CD PRO A 17 25.349 -9.058 -18.444 1.00 62.50 C ATOM 0 HA PRO A 17 27.166 -6.328 -17.819 1.00 34.01 H new ATOM 0 HB2 PRO A 17 24.525 -5.840 -18.323 1.00 51.30 H new ATOM 0 HB3 PRO A 17 25.539 -6.369 -19.650 1.00 51.30 H new ATOM 0 HG2 PRO A 17 23.554 -7.935 -18.044 1.00 4.22 H new ATOM 0 HG3 PRO A 17 23.948 -8.066 -19.746 1.00 4.22 H new ATOM 0 HD2 PRO A 17 24.946 -9.738 -17.694 1.00 62.50 H new ATOM 0 HD3 PRO A 17 25.568 -9.654 -19.330 1.00 62.50 H new ATOM 270 N PHE A 18 25.513 -5.437 -15.966 1.00 60.23 N ATOM 271 CA PHE A 18 25.015 -5.057 -14.651 1.00 53.13 C ATOM 272 C PHE A 18 24.128 -3.815 -14.749 1.00 32.00 C ATOM 273 O PHE A 18 24.297 -2.986 -15.645 1.00 3.31 O ATOM 274 CB PHE A 18 26.177 -4.810 -13.672 1.00 30.43 C ATOM 275 CG PHE A 18 27.106 -3.696 -14.078 1.00 55.33 C ATOM 276 CD1 PHE A 18 28.162 -3.933 -14.944 1.00 72.01 C ATOM 277 CD2 PHE A 18 26.924 -2.413 -13.586 1.00 62.42 C ATOM 278 CE1 PHE A 18 29.015 -2.911 -15.316 1.00 53.54 C ATOM 279 CE2 PHE A 18 27.774 -1.387 -13.954 1.00 23.21 C ATOM 280 CZ PHE A 18 28.821 -1.637 -14.820 1.00 44.23 C ATOM 0 H PHE A 18 25.596 -4.662 -16.623 1.00 60.23 H new ATOM 0 HA PHE A 18 24.416 -5.883 -14.267 1.00 53.13 H new ATOM 0 HB2 PHE A 18 25.766 -4.583 -12.688 1.00 30.43 H new ATOM 0 HB3 PHE A 18 26.754 -5.730 -13.572 1.00 30.43 H new ATOM 0 HD1 PHE A 18 28.320 -4.928 -15.333 1.00 72.01 H new ATOM 0 HD2 PHE A 18 26.108 -2.213 -12.907 1.00 62.42 H new ATOM 0 HE1 PHE A 18 29.832 -3.109 -15.994 1.00 53.54 H new ATOM 0 HE2 PHE A 18 27.620 -0.391 -13.565 1.00 23.21 H new ATOM 0 HZ PHE A 18 29.487 -0.837 -15.109 1.00 44.23 H new ATOM 290 N GLY A 19 23.180 -3.705 -13.833 1.00 74.40 N ATOM 291 CA GLY A 19 22.298 -2.558 -13.796 1.00 42.13 C ATOM 292 C GLY A 19 21.510 -2.512 -12.506 1.00 24.34 C ATOM 293 O GLY A 19 21.979 -3.006 -11.478 1.00 61.05 O ATOM 0 H GLY A 19 23.004 -4.398 -13.106 1.00 74.40 H new ATOM 0 HA2 GLY A 19 22.882 -1.644 -13.900 1.00 42.13 H new ATOM 0 HA3 GLY A 19 21.612 -2.596 -14.642 1.00 42.13 H new ATOM 297 N GLY A 20 20.322 -1.926 -12.551 1.00 4.31 N ATOM 298 CA GLY A 20 19.469 -1.896 -11.379 1.00 23.20 C ATOM 299 C GLY A 20 19.792 -0.735 -10.464 1.00 24.24 C ATOM 300 O GLY A 20 20.493 0.198 -10.863 1.00 71.11 O ATOM 0 H GLY A 20 19.933 -1.471 -13.377 1.00 4.31 H new ATOM 0 HA2 GLY A 20 18.427 -1.830 -11.692 1.00 23.20 H new ATOM 0 HA3 GLY A 20 19.578 -2.831 -10.829 1.00 23.20 H new ATOM 304 N SER A 21 19.274 -0.796 -9.238 1.00 4.14 N ATOM 305 CA SER A 21 19.475 0.256 -8.240 1.00 24.41 C ATOM 306 C SER A 21 18.806 1.563 -8.669 1.00 1.35 C ATOM 307 O SER A 21 19.170 2.645 -8.209 1.00 14.23 O ATOM 308 CB SER A 21 20.969 0.483 -7.982 1.00 12.14 C ATOM 309 OG SER A 21 21.588 -0.691 -7.476 1.00 44.13 O ATOM 0 H SER A 21 18.704 -1.575 -8.908 1.00 4.14 H new ATOM 0 HA SER A 21 19.008 -0.076 -7.313 1.00 24.41 H new ATOM 0 HB2 SER A 21 21.459 0.785 -8.908 1.00 12.14 H new ATOM 0 HB3 SER A 21 21.098 1.300 -7.272 1.00 12.14 H new ATOM 0 HG SER A 21 22.540 -0.518 -7.322 1.00 44.13 H new ATOM 315 N LEU A 22 17.802 1.449 -9.529 1.00 1.25 N ATOM 316 CA LEU A 22 17.060 2.606 -10.002 1.00 22.40 C ATOM 317 C LEU A 22 15.623 2.184 -10.299 1.00 12.02 C ATOM 318 O LEU A 22 15.244 1.054 -9.986 1.00 21.25 O ATOM 319 CB LEU A 22 17.736 3.190 -11.248 1.00 44.53 C ATOM 320 CG LEU A 22 17.332 4.622 -11.612 1.00 3.54 C ATOM 321 CD1 LEU A 22 17.622 5.569 -10.456 1.00 52.24 C ATOM 322 CD2 LEU A 22 18.062 5.071 -12.866 1.00 73.00 C ATOM 0 H LEU A 22 17.483 0.560 -9.914 1.00 1.25 H new ATOM 0 HA LEU A 22 17.049 3.382 -9.237 1.00 22.40 H new ATOM 0 HB2 LEU A 22 18.816 3.163 -11.100 1.00 44.53 H new ATOM 0 HB3 LEU A 22 17.514 2.543 -12.096 1.00 44.53 H new ATOM 0 HG LEU A 22 16.260 4.642 -11.809 1.00 3.54 H new ATOM 0 HD11 LEU A 22 17.329 6.582 -10.733 1.00 52.24 H new ATOM 0 HD12 LEU A 22 17.058 5.255 -9.578 1.00 52.24 H new ATOM 0 HD13 LEU A 22 18.688 5.550 -10.228 1.00 52.24 H new ATOM 0 HD21 LEU A 22 17.766 6.090 -13.114 1.00 73.00 H new ATOM 0 HD22 LEU A 22 19.138 5.037 -12.693 1.00 73.00 H new ATOM 0 HD23 LEU A 22 17.807 4.408 -13.693 1.00 73.00 H new ATOM 334 N ASP A 23 14.828 3.079 -10.891 1.00 52.42 N ATOM 335 CA ASP A 23 13.427 2.805 -11.186 1.00 33.43 C ATOM 336 C ASP A 23 12.685 2.380 -9.923 1.00 14.03 C ATOM 337 O ASP A 23 11.698 1.647 -9.973 1.00 12.31 O ATOM 338 CB ASP A 23 13.307 1.723 -12.259 1.00 74.24 C ATOM 339 CG ASP A 23 14.054 2.061 -13.533 1.00 33.01 C ATOM 340 OD1 ASP A 23 13.495 2.778 -14.391 1.00 73.35 O ATOM 341 OD2 ASP A 23 15.206 1.607 -13.694 1.00 75.42 O ATOM 0 H ASP A 23 15.139 4.008 -11.176 1.00 52.42 H new ATOM 0 HA ASP A 23 12.973 3.721 -11.563 1.00 33.43 H new ATOM 0 HB2 ASP A 23 13.687 0.782 -11.861 1.00 74.24 H new ATOM 0 HB3 ASP A 23 12.254 1.568 -12.493 1.00 74.24 H new ATOM 346 N THR A 24 13.161 2.875 -8.790 1.00 25.15 N ATOM 347 CA THR A 24 12.640 2.477 -7.498 1.00 63.24 C ATOM 348 C THR A 24 11.281 3.120 -7.226 1.00 15.02 C ATOM 349 O THR A 24 10.376 2.475 -6.696 1.00 14.14 O ATOM 350 CB THR A 24 13.633 2.864 -6.387 1.00 74.31 C ATOM 351 OG1 THR A 24 14.952 2.425 -6.751 1.00 71.42 O ATOM 352 CG2 THR A 24 13.241 2.243 -5.054 1.00 4.10 C ATOM 0 H THR A 24 13.915 3.560 -8.744 1.00 25.15 H new ATOM 0 HA THR A 24 12.508 1.395 -7.507 1.00 63.24 H new ATOM 0 HB THR A 24 13.616 3.948 -6.276 1.00 74.31 H new ATOM 0 HG1 THR A 24 15.585 2.672 -6.045 1.00 71.42 H new ATOM 0 HG21 THR A 24 13.962 2.535 -4.290 1.00 4.10 H new ATOM 0 HG22 THR A 24 12.248 2.591 -4.768 1.00 4.10 H new ATOM 0 HG23 THR A 24 13.232 1.157 -5.147 1.00 4.10 H new ATOM 360 N TRP A 25 11.137 4.383 -7.615 1.00 22.14 N ATOM 361 CA TRP A 25 9.904 5.120 -7.370 1.00 31.15 C ATOM 362 C TRP A 25 8.974 5.039 -8.564 1.00 22.24 C ATOM 363 O TRP A 25 7.768 5.252 -8.443 1.00 52.22 O ATOM 364 CB TRP A 25 10.213 6.579 -7.040 1.00 12.24 C ATOM 365 CG TRP A 25 10.846 6.744 -5.695 1.00 73.43 C ATOM 366 CD1 TRP A 25 12.157 7.005 -5.428 1.00 53.13 C ATOM 367 CD2 TRP A 25 10.189 6.639 -4.429 1.00 21.24 C ATOM 368 NE1 TRP A 25 12.355 7.077 -4.071 1.00 40.24 N ATOM 369 CE2 TRP A 25 11.160 6.859 -3.436 1.00 64.33 C ATOM 370 CE3 TRP A 25 8.871 6.390 -4.041 1.00 0.21 C ATOM 371 CZ2 TRP A 25 10.852 6.827 -2.078 1.00 4.14 C ATOM 372 CZ3 TRP A 25 8.568 6.359 -2.696 1.00 12.43 C ATOM 373 CH2 TRP A 25 9.552 6.581 -1.728 1.00 73.53 C ATOM 0 H TRP A 25 11.858 4.916 -8.101 1.00 22.14 H new ATOM 0 HA TRP A 25 9.403 4.663 -6.517 1.00 31.15 H new ATOM 0 HB2 TRP A 25 10.877 6.987 -7.802 1.00 12.24 H new ATOM 0 HB3 TRP A 25 9.291 7.159 -7.077 1.00 12.24 H new ATOM 0 HD1 TRP A 25 12.927 7.136 -6.174 1.00 53.13 H new ATOM 0 HE1 TRP A 25 13.246 7.262 -3.611 1.00 40.24 H new ATOM 0 HE3 TRP A 25 8.102 6.225 -4.781 1.00 0.21 H new ATOM 0 HZ2 TRP A 25 11.612 6.990 -1.328 1.00 4.14 H new ATOM 0 HZ3 TRP A 25 7.553 6.160 -2.385 1.00 12.43 H new ATOM 0 HH2 TRP A 25 9.281 6.558 -0.683 1.00 73.53 H new ATOM 384 N ALA A 26 9.539 4.729 -9.717 1.00 14.14 N ATOM 385 CA ALA A 26 8.756 4.586 -10.931 1.00 1.23 C ATOM 386 C ALA A 26 7.858 3.359 -10.854 1.00 13.54 C ATOM 387 O ALA A 26 8.233 2.330 -10.286 1.00 74.01 O ATOM 388 CB ALA A 26 9.672 4.497 -12.141 1.00 21.05 C ATOM 0 H ALA A 26 10.539 4.571 -9.838 1.00 14.14 H new ATOM 0 HA ALA A 26 8.122 5.466 -11.035 1.00 1.23 H new ATOM 0 HB1 ALA A 26 9.072 4.390 -13.045 1.00 21.05 H new ATOM 0 HB2 ALA A 26 10.273 5.404 -12.210 1.00 21.05 H new ATOM 0 HB3 ALA A 26 10.329 3.633 -12.037 1.00 21.05 H new ATOM 394 N ILE A 27 6.661 3.475 -11.404 1.00 64.45 N ATOM 395 CA ILE A 27 5.756 2.344 -11.481 1.00 41.14 C ATOM 396 C ILE A 27 5.751 1.798 -12.899 1.00 74.34 C ATOM 397 O ILE A 27 4.975 2.234 -13.751 1.00 44.03 O ATOM 398 CB ILE A 27 4.320 2.707 -11.048 1.00 13.02 C ATOM 399 CG1 ILE A 27 4.322 3.238 -9.611 1.00 43.25 C ATOM 400 CG2 ILE A 27 3.398 1.495 -11.170 1.00 14.33 C ATOM 401 CD1 ILE A 27 2.943 3.560 -9.075 1.00 72.42 C ATOM 0 H ILE A 27 6.295 4.340 -11.803 1.00 64.45 H new ATOM 0 HA ILE A 27 6.115 1.585 -10.786 1.00 41.14 H new ATOM 0 HB ILE A 27 3.944 3.488 -11.709 1.00 13.02 H new ATOM 0 HG12 ILE A 27 4.790 2.499 -8.961 1.00 43.25 H new ATOM 0 HG13 ILE A 27 4.937 4.137 -9.567 1.00 43.25 H new ATOM 0 HG21 ILE A 27 2.390 1.772 -10.860 1.00 14.33 H new ATOM 0 HG22 ILE A 27 3.379 1.155 -12.206 1.00 14.33 H new ATOM 0 HG23 ILE A 27 3.766 0.692 -10.532 1.00 14.33 H new ATOM 0 HD11 ILE A 27 3.027 3.930 -8.053 1.00 72.42 H new ATOM 0 HD12 ILE A 27 2.479 4.323 -9.700 1.00 72.42 H new ATOM 0 HD13 ILE A 27 2.329 2.659 -9.085 1.00 72.42 H new ATOM 413 N THR A 28 6.669 0.883 -13.148 1.00 3.10 N ATOM 414 CA THR A 28 6.799 0.242 -14.444 1.00 74.43 C ATOM 415 C THR A 28 5.687 -0.796 -14.633 1.00 0.52 C ATOM 416 O THR A 28 4.893 -1.028 -13.720 1.00 55.20 O ATOM 417 CB THR A 28 8.180 -0.435 -14.547 1.00 40.41 C ATOM 418 OG1 THR A 28 9.160 0.374 -13.881 1.00 2.42 O ATOM 419 CG2 THR A 28 8.597 -0.629 -15.997 1.00 51.42 C ATOM 0 H THR A 28 7.347 0.562 -12.457 1.00 3.10 H new ATOM 0 HA THR A 28 6.709 0.994 -15.227 1.00 74.43 H new ATOM 0 HB THR A 28 8.111 -1.415 -14.075 1.00 40.41 H new ATOM 0 HG1 THR A 28 10.038 -0.057 -13.945 1.00 2.42 H new ATOM 0 HG21 THR A 28 9.575 -1.109 -16.033 1.00 51.42 H new ATOM 0 HG22 THR A 28 7.866 -1.257 -16.505 1.00 51.42 H new ATOM 0 HG23 THR A 28 8.650 0.340 -16.493 1.00 51.42 H new ATOM 427 N VAL A 29 5.633 -1.418 -15.809 1.00 13.11 N ATOM 428 CA VAL A 29 4.623 -2.434 -16.107 1.00 52.45 C ATOM 429 C VAL A 29 4.637 -3.547 -15.059 1.00 12.24 C ATOM 430 O VAL A 29 3.592 -4.055 -14.669 1.00 50.34 O ATOM 431 CB VAL A 29 4.847 -3.048 -17.505 1.00 54.14 C ATOM 432 CG1 VAL A 29 3.771 -4.072 -17.834 1.00 2.34 C ATOM 433 CG2 VAL A 29 4.881 -1.960 -18.566 1.00 22.31 C ATOM 0 H VAL A 29 6.280 -1.235 -16.576 1.00 13.11 H new ATOM 0 HA VAL A 29 3.653 -1.938 -16.088 1.00 52.45 H new ATOM 0 HB VAL A 29 5.810 -3.559 -17.495 1.00 54.14 H new ATOM 0 HG11 VAL A 29 3.955 -4.488 -18.825 1.00 2.34 H new ATOM 0 HG12 VAL A 29 3.793 -4.873 -17.095 1.00 2.34 H new ATOM 0 HG13 VAL A 29 2.793 -3.590 -17.818 1.00 2.34 H new ATOM 0 HG21 VAL A 29 5.040 -2.412 -19.545 1.00 22.31 H new ATOM 0 HG22 VAL A 29 3.934 -1.421 -18.564 1.00 22.31 H new ATOM 0 HG23 VAL A 29 5.694 -1.267 -18.350 1.00 22.31 H new ATOM 443 N GLU A 30 5.829 -3.897 -14.591 1.00 14.32 N ATOM 444 CA GLU A 30 5.993 -4.933 -13.584 1.00 52.11 C ATOM 445 C GLU A 30 5.342 -4.528 -12.263 1.00 42.23 C ATOM 446 O GLU A 30 4.696 -5.339 -11.603 1.00 65.13 O ATOM 447 CB GLU A 30 7.481 -5.187 -13.377 1.00 21.32 C ATOM 448 CG GLU A 30 8.225 -5.503 -14.661 1.00 23.14 C ATOM 449 CD GLU A 30 9.723 -5.601 -14.463 1.00 51.24 C ATOM 450 OE1 GLU A 30 10.215 -6.711 -14.173 1.00 2.31 O ATOM 451 OE2 GLU A 30 10.411 -4.572 -14.609 1.00 52.32 O ATOM 0 H GLU A 30 6.704 -3.472 -14.898 1.00 14.32 H new ATOM 0 HA GLU A 30 5.502 -5.843 -13.930 1.00 52.11 H new ATOM 0 HB2 GLU A 30 7.930 -4.309 -12.913 1.00 21.32 H new ATOM 0 HB3 GLU A 30 7.607 -6.016 -12.680 1.00 21.32 H new ATOM 0 HG2 GLU A 30 7.855 -6.444 -15.068 1.00 23.14 H new ATOM 0 HG3 GLU A 30 8.011 -4.730 -15.399 1.00 23.14 H new ATOM 458 N GLU A 31 5.516 -3.265 -11.890 1.00 54.32 N ATOM 459 CA GLU A 31 4.917 -2.724 -10.675 1.00 52.32 C ATOM 460 C GLU A 31 3.417 -2.521 -10.864 1.00 71.42 C ATOM 461 O GLU A 31 2.641 -2.606 -9.916 1.00 12.24 O ATOM 462 CB GLU A 31 5.601 -1.413 -10.278 1.00 13.24 C ATOM 463 CG GLU A 31 7.041 -1.598 -9.821 1.00 22.22 C ATOM 464 CD GLU A 31 7.153 -2.359 -8.509 1.00 51.42 C ATOM 465 OE1 GLU A 31 7.043 -3.604 -8.521 1.00 12.21 O ATOM 466 OE2 GLU A 31 7.356 -1.708 -7.464 1.00 74.31 O ATOM 0 H GLU A 31 6.072 -2.591 -12.417 1.00 54.32 H new ATOM 0 HA GLU A 31 5.063 -3.441 -9.867 1.00 52.32 H new ATOM 0 HB2 GLU A 31 5.582 -0.730 -11.127 1.00 13.24 H new ATOM 0 HB3 GLU A 31 5.031 -0.942 -9.477 1.00 13.24 H new ATOM 0 HG2 GLU A 31 7.596 -2.131 -10.593 1.00 22.22 H new ATOM 0 HG3 GLU A 31 7.510 -0.620 -9.709 1.00 22.22 H new ATOM 473 N ARG A 32 3.016 -2.233 -12.092 1.00 32.23 N ATOM 474 CA ARG A 32 1.603 -2.141 -12.421 1.00 21.43 C ATOM 475 C ARG A 32 0.949 -3.517 -12.314 1.00 71.35 C ATOM 476 O ARG A 32 -0.045 -3.686 -11.613 1.00 61.41 O ATOM 477 CB ARG A 32 1.420 -1.563 -13.825 1.00 21.41 C ATOM 478 CG ARG A 32 -0.033 -1.419 -14.243 1.00 21.44 C ATOM 479 CD ARG A 32 -0.167 -0.623 -15.530 1.00 64.33 C ATOM 480 NE ARG A 32 0.200 0.781 -15.346 1.00 33.32 N ATOM 481 CZ ARG A 32 1.021 1.454 -16.151 1.00 71.02 C ATOM 482 NH1 ARG A 32 1.581 0.853 -17.197 1.00 72.51 N ATOM 483 NH2 ARG A 32 1.279 2.731 -15.903 1.00 24.42 N ATOM 0 H ARG A 32 3.647 -2.060 -12.875 1.00 32.23 H new ATOM 0 HA ARG A 32 1.118 -1.471 -11.711 1.00 21.43 H new ATOM 0 HB2 ARG A 32 1.900 -0.586 -13.871 1.00 21.41 H new ATOM 0 HB3 ARG A 32 1.933 -2.204 -14.542 1.00 21.41 H new ATOM 0 HG2 ARG A 32 -0.473 -2.407 -14.378 1.00 21.44 H new ATOM 0 HG3 ARG A 32 -0.594 -0.926 -13.449 1.00 21.44 H new ATOM 0 HD2 ARG A 32 0.467 -1.066 -16.298 1.00 64.33 H new ATOM 0 HD3 ARG A 32 -1.194 -0.685 -15.890 1.00 64.33 H new ATOM 0 HE ARG A 32 -0.199 1.277 -14.549 1.00 33.32 H new ATOM 0 HH11 ARG A 32 1.383 -0.129 -17.387 1.00 72.51 H new ATOM 0 HH12 ARG A 32 2.209 1.374 -17.809 1.00 72.51 H new ATOM 0 HH21 ARG A 32 0.850 3.191 -15.100 1.00 24.42 H new ATOM 0 HH22 ARG A 32 1.907 3.253 -16.515 1.00 24.42 H new ATOM 497 N ALA A 33 1.535 -4.502 -12.983 1.00 13.52 N ATOM 498 CA ALA A 33 1.040 -5.879 -12.930 1.00 25.31 C ATOM 499 C ALA A 33 1.126 -6.439 -11.512 1.00 21.13 C ATOM 500 O ALA A 33 0.429 -7.391 -11.161 1.00 61.15 O ATOM 501 CB ALA A 33 1.824 -6.756 -13.893 1.00 1.32 C ATOM 0 H ALA A 33 2.358 -4.376 -13.572 1.00 13.52 H new ATOM 0 HA ALA A 33 -0.008 -5.875 -13.228 1.00 25.31 H new ATOM 0 HB1 ALA A 33 1.447 -7.777 -13.844 1.00 1.32 H new ATOM 0 HB2 ALA A 33 1.710 -6.375 -14.908 1.00 1.32 H new ATOM 0 HB3 ALA A 33 2.879 -6.745 -13.618 1.00 1.32 H new ATOM 507 N LYS A 34 1.968 -5.811 -10.703 1.00 22.12 N ATOM 508 CA LYS A 34 2.179 -6.207 -9.316 1.00 61.01 C ATOM 509 C LYS A 34 0.865 -6.212 -8.545 1.00 63.52 C ATOM 510 O LYS A 34 0.615 -7.104 -7.733 1.00 54.22 O ATOM 511 CB LYS A 34 3.134 -5.215 -8.656 1.00 42.32 C ATOM 512 CG LYS A 34 4.003 -5.793 -7.560 1.00 1.43 C ATOM 513 CD LYS A 34 5.155 -6.584 -8.143 1.00 64.31 C ATOM 514 CE LYS A 34 6.277 -6.751 -7.133 1.00 50.24 C ATOM 515 NZ LYS A 34 6.756 -5.435 -6.624 1.00 3.03 N ATOM 0 H LYS A 34 2.527 -5.008 -10.991 1.00 22.12 H new ATOM 0 HA LYS A 34 2.598 -7.213 -9.302 1.00 61.01 H new ATOM 0 HB2 LYS A 34 3.780 -4.790 -9.424 1.00 42.32 H new ATOM 0 HB3 LYS A 34 2.550 -4.394 -8.240 1.00 42.32 H new ATOM 0 HG2 LYS A 34 4.389 -4.988 -6.934 1.00 1.43 H new ATOM 0 HG3 LYS A 34 3.403 -6.437 -6.917 1.00 1.43 H new ATOM 0 HD2 LYS A 34 4.801 -7.564 -8.462 1.00 64.31 H new ATOM 0 HD3 LYS A 34 5.534 -6.078 -9.031 1.00 64.31 H new ATOM 0 HE2 LYS A 34 5.929 -7.360 -6.299 1.00 50.24 H new ATOM 0 HE3 LYS A 34 7.106 -7.287 -7.595 1.00 50.24 H new ATOM 0 HZ1 LYS A 34 7.784 -5.475 -6.472 1.00 3.03 H new ATOM 0 HZ2 LYS A 34 6.538 -4.693 -7.320 1.00 3.03 H new ATOM 0 HZ3 LYS A 34 6.281 -5.217 -5.725 1.00 3.03 H new ATOM 529 N HIS A 35 0.020 -5.216 -8.826 1.00 54.11 N ATOM 530 CA HIS A 35 -1.223 -5.016 -8.075 1.00 22.40 C ATOM 531 C HIS A 35 -2.121 -6.243 -8.125 1.00 63.12 C ATOM 532 O HIS A 35 -2.896 -6.493 -7.208 1.00 33.13 O ATOM 533 CB HIS A 35 -1.985 -3.761 -8.555 1.00 51.52 C ATOM 534 CG HIS A 35 -2.535 -3.776 -9.964 1.00 63.33 C ATOM 535 ND1 HIS A 35 -3.159 -4.741 -10.686 1.00 74.34 N flip ATOM 536 CD2 HIS A 35 -2.515 -2.660 -10.780 1.00 72.43 C flip ATOM 537 CE1 HIS A 35 -3.493 -4.195 -11.899 1.00 73.14 C flip ATOM 538 NE2 HIS A 35 -3.094 -2.944 -11.931 1.00 63.52 N flip ATOM 0 H HIS A 35 0.174 -4.535 -9.569 1.00 54.11 H new ATOM 0 HA HIS A 35 -0.937 -4.857 -7.035 1.00 22.40 H new ATOM 0 HB2 HIS A 35 -2.816 -3.590 -7.871 1.00 51.52 H new ATOM 0 HB3 HIS A 35 -1.316 -2.905 -8.464 1.00 51.52 H new ATOM 0 HD2 HIS A 35 -2.091 -1.703 -10.516 1.00 72.43 H new ATOM 0 HE1 HIS A 35 -4.002 -4.711 -12.699 1.00 73.14 H new ATOM 0 HE2 HIS A 35 -3.212 -2.301 -12.714 1.00 63.52 H new ATOM 547 N ASP A 36 -2.000 -7.010 -9.192 1.00 73.23 N ATOM 548 CA ASP A 36 -2.822 -8.200 -9.371 1.00 43.50 C ATOM 549 C ASP A 36 -2.542 -9.212 -8.267 1.00 64.10 C ATOM 550 O ASP A 36 -3.448 -9.619 -7.539 1.00 54.31 O ATOM 551 CB ASP A 36 -2.567 -8.828 -10.742 1.00 62.51 C ATOM 552 CG ASP A 36 -3.438 -10.044 -10.990 1.00 63.13 C ATOM 553 OD1 ASP A 36 -3.042 -11.159 -10.593 1.00 24.12 O ATOM 554 OD2 ASP A 36 -4.525 -9.891 -11.586 1.00 42.11 O ATOM 0 H ASP A 36 -1.341 -6.833 -9.950 1.00 73.23 H new ATOM 0 HA ASP A 36 -3.870 -7.904 -9.315 1.00 43.50 H new ATOM 0 HB2 ASP A 36 -2.753 -8.086 -11.519 1.00 62.51 H new ATOM 0 HB3 ASP A 36 -1.518 -9.114 -10.819 1.00 62.51 H new ATOM 559 N GLN A 37 -1.276 -9.583 -8.124 1.00 35.02 N ATOM 560 CA GLN A 37 -0.869 -10.553 -7.114 1.00 33.01 C ATOM 561 C GLN A 37 -1.035 -9.967 -5.717 1.00 1.42 C ATOM 562 O GLN A 37 -1.532 -10.639 -4.810 1.00 24.03 O ATOM 563 CB GLN A 37 0.588 -10.985 -7.367 1.00 40.43 C ATOM 564 CG GLN A 37 1.131 -12.030 -6.394 1.00 24.52 C ATOM 565 CD GLN A 37 1.608 -11.435 -5.079 1.00 43.10 C ATOM 566 OE1 GLN A 37 2.050 -10.290 -5.029 1.00 3.00 O ATOM 567 NE2 GLN A 37 1.535 -12.212 -4.012 1.00 71.12 N ATOM 0 H GLN A 37 -0.511 -9.226 -8.696 1.00 35.02 H new ATOM 0 HA GLN A 37 -1.508 -11.434 -7.183 1.00 33.01 H new ATOM 0 HB2 GLN A 37 0.663 -11.380 -8.380 1.00 40.43 H new ATOM 0 HB3 GLN A 37 1.226 -10.102 -7.321 1.00 40.43 H new ATOM 0 HG2 GLN A 37 0.353 -12.766 -6.191 1.00 24.52 H new ATOM 0 HG3 GLN A 37 1.958 -12.561 -6.866 1.00 24.52 H new ATOM 0 HE21 GLN A 37 1.162 -13.158 -4.094 1.00 71.12 H new ATOM 0 HE22 GLN A 37 1.852 -11.866 -3.106 1.00 71.12 H new ATOM 576 N GLN A 38 -0.634 -8.708 -5.560 1.00 51.23 N ATOM 577 CA GLN A 38 -0.697 -8.028 -4.268 1.00 44.00 C ATOM 578 C GLN A 38 -2.124 -7.998 -3.732 1.00 10.11 C ATOM 579 O GLN A 38 -2.378 -8.401 -2.598 1.00 52.10 O ATOM 580 CB GLN A 38 -0.157 -6.599 -4.392 1.00 52.00 C ATOM 581 CG GLN A 38 1.315 -6.531 -4.771 1.00 42.44 C ATOM 582 CD GLN A 38 2.232 -7.029 -3.671 1.00 61.14 C ATOM 583 OE1 GLN A 38 1.926 -6.903 -2.486 1.00 5.33 O ATOM 584 NE2 GLN A 38 3.356 -7.610 -4.055 1.00 14.14 N ATOM 0 H GLN A 38 -0.260 -8.135 -6.316 1.00 51.23 H new ATOM 0 HA GLN A 38 -0.078 -8.586 -3.565 1.00 44.00 H new ATOM 0 HB2 GLN A 38 -0.741 -6.063 -5.141 1.00 52.00 H new ATOM 0 HB3 GLN A 38 -0.303 -6.082 -3.444 1.00 52.00 H new ATOM 0 HG2 GLN A 38 1.481 -7.123 -5.671 1.00 42.44 H new ATOM 0 HG3 GLN A 38 1.575 -5.501 -5.015 1.00 42.44 H new ATOM 0 HE21 GLN A 38 3.573 -7.695 -5.048 1.00 14.14 H new ATOM 0 HE22 GLN A 38 4.006 -7.973 -3.358 1.00 14.14 H new ATOM 593 N PHE A 39 -3.050 -7.543 -4.565 1.00 10.51 N ATOM 594 CA PHE A 39 -4.454 -7.455 -4.180 1.00 2.52 C ATOM 595 C PHE A 39 -5.029 -8.838 -3.908 1.00 43.05 C ATOM 596 O PHE A 39 -5.845 -9.020 -3.008 1.00 75.52 O ATOM 597 CB PHE A 39 -5.259 -6.750 -5.275 1.00 11.23 C ATOM 598 CG PHE A 39 -6.744 -6.779 -5.054 1.00 14.35 C ATOM 599 CD1 PHE A 39 -7.295 -6.284 -3.882 1.00 35.30 C ATOM 600 CD2 PHE A 39 -7.587 -7.305 -6.018 1.00 41.53 C ATOM 601 CE1 PHE A 39 -8.660 -6.313 -3.678 1.00 51.41 C ATOM 602 CE2 PHE A 39 -8.952 -7.335 -5.820 1.00 0.34 C ATOM 603 CZ PHE A 39 -9.488 -6.839 -4.646 1.00 5.23 C ATOM 0 H PHE A 39 -2.854 -7.228 -5.515 1.00 10.51 H new ATOM 0 HA PHE A 39 -4.522 -6.872 -3.262 1.00 2.52 H new ATOM 0 HB2 PHE A 39 -4.932 -5.712 -5.342 1.00 11.23 H new ATOM 0 HB3 PHE A 39 -5.035 -7.217 -6.234 1.00 11.23 H new ATOM 0 HD1 PHE A 39 -6.650 -5.871 -3.121 1.00 35.30 H new ATOM 0 HD2 PHE A 39 -7.172 -7.696 -6.935 1.00 41.53 H new ATOM 0 HE1 PHE A 39 -9.078 -5.924 -2.761 1.00 51.41 H new ATOM 0 HE2 PHE A 39 -9.600 -7.745 -6.580 1.00 0.34 H new ATOM 0 HZ PHE A 39 -10.556 -6.864 -4.487 1.00 5.23 H new ATOM 613 N HIS A 40 -4.591 -9.816 -4.679 1.00 14.14 N ATOM 614 CA HIS A 40 -5.072 -11.180 -4.507 1.00 70.14 C ATOM 615 C HIS A 40 -4.527 -11.793 -3.222 1.00 32.14 C ATOM 616 O HIS A 40 -5.196 -12.603 -2.581 1.00 74.50 O ATOM 617 CB HIS A 40 -4.713 -12.037 -5.725 1.00 35.24 C ATOM 618 CG HIS A 40 -5.574 -11.747 -6.916 1.00 41.22 C ATOM 619 ND1 HIS A 40 -5.149 -11.913 -8.215 1.00 13.50 N ATOM 620 CD2 HIS A 40 -6.848 -11.296 -6.997 1.00 32.15 C ATOM 621 CE1 HIS A 40 -6.123 -11.574 -9.040 1.00 23.31 C ATOM 622 NE2 HIS A 40 -7.163 -11.195 -8.325 1.00 42.21 N ATOM 0 H HIS A 40 -3.908 -9.696 -5.427 1.00 14.14 H new ATOM 0 HA HIS A 40 -6.158 -11.150 -4.424 1.00 70.14 H new ATOM 0 HB2 HIS A 40 -3.669 -11.867 -5.988 1.00 35.24 H new ATOM 0 HB3 HIS A 40 -4.808 -13.091 -5.462 1.00 35.24 H new ATOM 0 HD2 HIS A 40 -7.496 -11.059 -6.166 1.00 32.15 H new ATOM 0 HE1 HIS A 40 -6.075 -11.603 -10.119 1.00 23.31 H new ATOM 0 HE2 HIS A 40 -8.057 -10.878 -8.700 1.00 42.21 H new ATOM 631 N SER A 41 -3.316 -11.401 -2.847 1.00 62.42 N ATOM 632 CA SER A 41 -2.718 -11.842 -1.595 1.00 43.44 C ATOM 633 C SER A 41 -3.315 -11.077 -0.412 1.00 45.41 C ATOM 634 O SER A 41 -3.223 -11.517 0.733 1.00 73.20 O ATOM 635 CB SER A 41 -1.197 -11.657 -1.642 1.00 21.43 C ATOM 636 OG SER A 41 -0.567 -12.203 -0.492 1.00 23.34 O ATOM 0 H SER A 41 -2.727 -10.775 -3.396 1.00 62.42 H new ATOM 0 HA SER A 41 -2.937 -12.901 -1.460 1.00 43.44 H new ATOM 0 HB2 SER A 41 -0.799 -12.136 -2.537 1.00 21.43 H new ATOM 0 HB3 SER A 41 -0.961 -10.595 -1.717 1.00 21.43 H new ATOM 0 HG SER A 41 0.402 -12.069 -0.555 1.00 23.34 H new ATOM 642 N LEU A 42 -3.923 -9.929 -0.706 1.00 43.55 N ATOM 643 CA LEU A 42 -4.586 -9.104 0.306 1.00 43.32 C ATOM 644 C LEU A 42 -5.870 -9.782 0.788 1.00 22.43 C ATOM 645 O LEU A 42 -6.467 -9.374 1.784 1.00 23.11 O ATOM 646 CB LEU A 42 -4.897 -7.721 -0.287 1.00 53.01 C ATOM 647 CG LEU A 42 -5.674 -6.755 0.614 1.00 32.01 C ATOM 648 CD1 LEU A 42 -4.865 -6.395 1.851 1.00 12.14 C ATOM 649 CD2 LEU A 42 -6.048 -5.498 -0.158 1.00 15.22 C ATOM 0 H LEU A 42 -3.971 -9.544 -1.649 1.00 43.55 H new ATOM 0 HA LEU A 42 -3.923 -8.984 1.163 1.00 43.32 H new ATOM 0 HB2 LEU A 42 -3.955 -7.248 -0.564 1.00 53.01 H new ATOM 0 HB3 LEU A 42 -5.465 -7.863 -1.207 1.00 53.01 H new ATOM 0 HG LEU A 42 -6.588 -7.253 0.939 1.00 32.01 H new ATOM 0 HD11 LEU A 42 -5.439 -5.708 2.474 1.00 12.14 H new ATOM 0 HD12 LEU A 42 -4.644 -7.300 2.417 1.00 12.14 H new ATOM 0 HD13 LEU A 42 -3.932 -5.918 1.550 1.00 12.14 H new ATOM 0 HD21 LEU A 42 -6.599 -4.821 0.494 1.00 15.22 H new ATOM 0 HD22 LEU A 42 -5.142 -5.005 -0.511 1.00 15.22 H new ATOM 0 HD23 LEU A 42 -6.671 -5.767 -1.011 1.00 15.22 H new ATOM 661 N LYS A 43 -6.251 -10.842 0.079 1.00 4.21 N ATOM 662 CA LYS A 43 -7.462 -11.598 0.351 1.00 11.45 C ATOM 663 C LYS A 43 -8.710 -10.715 0.303 1.00 71.40 C ATOM 664 O LYS A 43 -9.213 -10.257 1.332 1.00 73.15 O ATOM 665 CB LYS A 43 -7.358 -12.314 1.694 1.00 61.01 C ATOM 666 CG LYS A 43 -8.529 -13.228 1.981 1.00 31.42 C ATOM 667 CD LYS A 43 -8.381 -13.863 3.340 1.00 31.10 C ATOM 668 CE LYS A 43 -9.618 -14.657 3.721 1.00 40.25 C ATOM 669 NZ LYS A 43 -9.477 -15.305 5.051 1.00 65.45 N ATOM 0 H LYS A 43 -5.716 -11.202 -0.712 1.00 4.21 H new ATOM 0 HA LYS A 43 -7.564 -12.345 -0.436 1.00 11.45 H new ATOM 0 HB2 LYS A 43 -6.438 -12.898 1.716 1.00 61.01 H new ATOM 0 HB3 LYS A 43 -7.283 -11.571 2.488 1.00 61.01 H new ATOM 0 HG2 LYS A 43 -9.459 -12.662 1.937 1.00 31.42 H new ATOM 0 HG3 LYS A 43 -8.590 -14.002 1.216 1.00 31.42 H new ATOM 0 HD2 LYS A 43 -7.511 -14.519 3.343 1.00 31.10 H new ATOM 0 HD3 LYS A 43 -8.200 -13.090 4.086 1.00 31.10 H new ATOM 0 HE2 LYS A 43 -10.484 -13.996 3.730 1.00 40.25 H new ATOM 0 HE3 LYS A 43 -9.807 -15.419 2.965 1.00 40.25 H new ATOM 0 HZ1 LYS A 43 -10.343 -15.836 5.272 1.00 65.45 H new ATOM 0 HZ2 LYS A 43 -8.666 -15.956 5.036 1.00 65.45 H new ATOM 0 HZ3 LYS A 43 -9.323 -14.577 5.777 1.00 65.45 H new ATOM 683 N PRO A 44 -9.211 -10.443 -0.909 1.00 74.24 N ATOM 684 CA PRO A 44 -10.475 -9.740 -1.088 1.00 33.51 C ATOM 685 C PRO A 44 -11.661 -10.618 -0.702 1.00 62.01 C ATOM 686 O PRO A 44 -11.604 -11.845 -0.829 1.00 3.12 O ATOM 687 CB PRO A 44 -10.506 -9.421 -2.583 1.00 32.41 C ATOM 688 CG PRO A 44 -9.621 -10.440 -3.214 1.00 64.51 C ATOM 689 CD PRO A 44 -8.572 -10.783 -2.191 1.00 32.54 C ATOM 0 HA PRO A 44 -10.548 -8.853 -0.459 1.00 33.51 H new ATOM 0 HB2 PRO A 44 -11.520 -9.480 -2.978 1.00 32.41 H new ATOM 0 HB3 PRO A 44 -10.146 -8.411 -2.778 1.00 32.41 H new ATOM 0 HG2 PRO A 44 -10.190 -11.325 -3.499 1.00 64.51 H new ATOM 0 HG3 PRO A 44 -9.164 -10.048 -4.123 1.00 64.51 H new ATOM 0 HD2 PRO A 44 -8.299 -11.837 -2.235 1.00 32.54 H new ATOM 0 HD3 PRO A 44 -7.658 -10.210 -2.347 1.00 32.54 H new ATOM 697 N ILE A 45 -12.728 -9.990 -0.228 1.00 31.10 N ATOM 698 CA ILE A 45 -13.914 -10.725 0.192 1.00 21.43 C ATOM 699 C ILE A 45 -14.633 -11.312 -1.018 1.00 24.55 C ATOM 700 O ILE A 45 -15.079 -12.458 -0.998 1.00 41.11 O ATOM 701 CB ILE A 45 -14.880 -9.826 0.996 1.00 74.12 C ATOM 702 CG1 ILE A 45 -14.153 -9.224 2.205 1.00 53.15 C ATOM 703 CG2 ILE A 45 -16.100 -10.622 1.449 1.00 44.04 C ATOM 704 CD1 ILE A 45 -15.016 -8.303 3.042 1.00 25.25 C ATOM 0 H ILE A 45 -12.797 -8.978 -0.125 1.00 31.10 H new ATOM 0 HA ILE A 45 -13.587 -11.537 0.842 1.00 21.43 H new ATOM 0 HB ILE A 45 -15.221 -9.015 0.352 1.00 74.12 H new ATOM 0 HG12 ILE A 45 -13.784 -10.033 2.835 1.00 53.15 H new ATOM 0 HG13 ILE A 45 -13.282 -8.671 1.855 1.00 53.15 H new ATOM 0 HG21 ILE A 45 -16.769 -9.973 2.014 1.00 44.04 H new ATOM 0 HG22 ILE A 45 -16.624 -11.013 0.577 1.00 44.04 H new ATOM 0 HG23 ILE A 45 -15.780 -11.450 2.081 1.00 44.04 H new ATOM 0 HD11 ILE A 45 -14.432 -7.917 3.878 1.00 25.25 H new ATOM 0 HD12 ILE A 45 -15.364 -7.472 2.428 1.00 25.25 H new ATOM 0 HD13 ILE A 45 -15.874 -8.856 3.424 1.00 25.25 H new ATOM 716 N SER A 46 -14.737 -10.519 -2.072 1.00 41.11 N ATOM 717 CA SER A 46 -15.351 -10.970 -3.310 1.00 24.11 C ATOM 718 C SER A 46 -14.818 -10.142 -4.475 1.00 24.52 C ATOM 719 O SER A 46 -15.356 -10.173 -5.583 1.00 52.50 O ATOM 720 CB SER A 46 -16.876 -10.838 -3.212 1.00 12.34 C ATOM 721 OG SER A 46 -17.525 -11.429 -4.325 1.00 60.32 O ATOM 0 H SER A 46 -14.403 -9.556 -2.095 1.00 41.11 H new ATOM 0 HA SER A 46 -15.103 -12.018 -3.479 1.00 24.11 H new ATOM 0 HB2 SER A 46 -17.224 -11.311 -2.294 1.00 12.34 H new ATOM 0 HB3 SER A 46 -17.147 -9.784 -3.150 1.00 12.34 H new ATOM 0 HG SER A 46 -17.086 -11.139 -5.152 1.00 60.32 H new ATOM 727 N GLY A 47 -13.727 -9.432 -4.217 1.00 60.22 N ATOM 728 CA GLY A 47 -13.220 -8.470 -5.175 1.00 43.23 C ATOM 729 C GLY A 47 -13.047 -7.107 -4.539 1.00 53.11 C ATOM 730 O GLY A 47 -12.391 -6.227 -5.093 1.00 63.22 O ATOM 0 H GLY A 47 -13.183 -9.506 -3.358 1.00 60.22 H new ATOM 0 HA2 GLY A 47 -12.264 -8.814 -5.570 1.00 43.23 H new ATOM 0 HA3 GLY A 47 -13.906 -8.397 -6.019 1.00 43.23 H new ATOM 734 N PHE A 48 -13.648 -6.937 -3.372 1.00 34.24 N ATOM 735 CA PHE A 48 -13.485 -5.717 -2.602 1.00 14.31 C ATOM 736 C PHE A 48 -12.815 -6.030 -1.269 1.00 35.33 C ATOM 737 O PHE A 48 -12.826 -7.177 -0.812 1.00 54.22 O ATOM 738 CB PHE A 48 -14.840 -5.031 -2.372 1.00 32.31 C ATOM 739 CG PHE A 48 -15.745 -5.743 -1.398 1.00 13.31 C ATOM 740 CD1 PHE A 48 -16.466 -6.863 -1.783 1.00 51.42 C ATOM 741 CD2 PHE A 48 -15.878 -5.285 -0.095 1.00 1.23 C ATOM 742 CE1 PHE A 48 -17.296 -7.514 -0.891 1.00 23.23 C ATOM 743 CE2 PHE A 48 -16.707 -5.933 0.803 1.00 33.51 C ATOM 744 CZ PHE A 48 -17.418 -7.047 0.403 1.00 43.44 C ATOM 0 H PHE A 48 -14.255 -7.632 -2.937 1.00 34.24 H new ATOM 0 HA PHE A 48 -12.851 -5.033 -3.166 1.00 14.31 H new ATOM 0 HB2 PHE A 48 -14.663 -4.018 -2.010 1.00 32.31 H new ATOM 0 HB3 PHE A 48 -15.355 -4.942 -3.329 1.00 32.31 H new ATOM 0 HD1 PHE A 48 -16.377 -7.232 -2.794 1.00 51.42 H new ATOM 0 HD2 PHE A 48 -15.327 -4.412 0.222 1.00 1.23 H new ATOM 0 HE1 PHE A 48 -17.849 -8.387 -1.205 1.00 23.23 H new ATOM 0 HE2 PHE A 48 -16.798 -5.568 1.815 1.00 33.51 H new ATOM 0 HZ PHE A 48 -18.069 -7.553 1.101 1.00 43.44 H new ATOM 754 N ILE A 49 -12.235 -5.010 -0.657 1.00 75.51 N ATOM 755 CA ILE A 49 -11.565 -5.151 0.627 1.00 31.03 C ATOM 756 C ILE A 49 -12.030 -4.049 1.575 1.00 5.21 C ATOM 757 O ILE A 49 -12.926 -3.282 1.222 1.00 22.42 O ATOM 758 CB ILE A 49 -10.022 -5.131 0.471 1.00 21.53 C ATOM 759 CG1 ILE A 49 -9.553 -4.008 -0.472 1.00 43.14 C ATOM 760 CG2 ILE A 49 -9.532 -6.481 -0.035 1.00 20.41 C ATOM 761 CD1 ILE A 49 -9.640 -2.613 0.117 1.00 15.32 C ATOM 0 H ILE A 49 -12.215 -4.063 -1.035 1.00 75.51 H new ATOM 0 HA ILE A 49 -11.833 -6.120 1.048 1.00 31.03 H new ATOM 0 HB ILE A 49 -9.593 -4.933 1.453 1.00 21.53 H new ATOM 0 HG12 ILE A 49 -8.520 -4.202 -0.762 1.00 43.14 H new ATOM 0 HG13 ILE A 49 -10.151 -4.042 -1.382 1.00 43.14 H new ATOM 0 HG21 ILE A 49 -8.447 -6.458 -0.142 1.00 20.41 H new ATOM 0 HG22 ILE A 49 -9.810 -7.259 0.676 1.00 20.41 H new ATOM 0 HG23 ILE A 49 -9.987 -6.694 -1.002 1.00 20.41 H new ATOM 0 HD11 ILE A 49 -9.290 -1.886 -0.616 1.00 15.32 H new ATOM 0 HD12 ILE A 49 -10.675 -2.393 0.380 1.00 15.32 H new ATOM 0 HD13 ILE A 49 -9.018 -2.556 1.010 1.00 15.32 H new ATOM 773 N THR A 50 -11.439 -3.958 2.763 1.00 2.11 N ATOM 774 CA THR A 50 -11.856 -2.945 3.722 1.00 33.41 C ATOM 775 C THR A 50 -10.779 -2.716 4.794 1.00 33.13 C ATOM 776 O THR A 50 -9.790 -3.445 4.859 1.00 52.14 O ATOM 777 CB THR A 50 -13.199 -3.331 4.384 1.00 3.25 C ATOM 778 OG1 THR A 50 -13.751 -2.214 5.094 1.00 21.31 O ATOM 779 CG2 THR A 50 -13.027 -4.508 5.336 1.00 10.41 C ATOM 0 H THR A 50 -10.682 -4.564 3.080 1.00 2.11 H new ATOM 0 HA THR A 50 -11.995 -2.012 3.175 1.00 33.41 H new ATOM 0 HB THR A 50 -13.884 -3.625 3.589 1.00 3.25 H new ATOM 0 HG1 THR A 50 -14.601 -2.476 5.505 1.00 21.31 H new ATOM 0 HG21 THR A 50 -13.988 -4.756 5.786 1.00 10.41 H new ATOM 0 HG22 THR A 50 -12.651 -5.370 4.785 1.00 10.41 H new ATOM 0 HG23 THR A 50 -12.318 -4.241 6.120 1.00 10.41 H new ATOM 787 N GLY A 51 -10.998 -1.709 5.636 1.00 51.23 N ATOM 788 CA GLY A 51 -10.008 -1.308 6.627 1.00 50.22 C ATOM 789 C GLY A 51 -9.679 -2.397 7.637 1.00 72.33 C ATOM 790 O GLY A 51 -8.510 -2.633 7.943 1.00 31.24 O ATOM 0 H GLY A 51 -11.855 -1.156 5.650 1.00 51.23 H new ATOM 0 HA2 GLY A 51 -9.093 -1.012 6.114 1.00 50.22 H new ATOM 0 HA3 GLY A 51 -10.374 -0.430 7.159 1.00 50.22 H new ATOM 794 N ASP A 52 -10.709 -3.056 8.154 1.00 13.22 N ATOM 795 CA ASP A 52 -10.533 -4.075 9.192 1.00 20.15 C ATOM 796 C ASP A 52 -9.642 -5.215 8.709 1.00 20.23 C ATOM 797 O ASP A 52 -8.758 -5.671 9.435 1.00 62.12 O ATOM 798 CB ASP A 52 -11.889 -4.627 9.643 1.00 72.31 C ATOM 799 CG ASP A 52 -11.768 -5.597 10.803 1.00 40.11 C ATOM 800 OD1 ASP A 52 -11.676 -5.138 11.961 1.00 43.53 O ATOM 801 OD2 ASP A 52 -11.769 -6.825 10.567 1.00 51.55 O ATOM 0 H ASP A 52 -11.678 -2.906 7.873 1.00 13.22 H new ATOM 0 HA ASP A 52 -10.044 -3.596 10.040 1.00 20.15 H new ATOM 0 HB2 ASP A 52 -12.536 -3.799 9.933 1.00 72.31 H new ATOM 0 HB3 ASP A 52 -12.370 -5.129 8.803 1.00 72.31 H new ATOM 806 N GLN A 53 -9.862 -5.667 7.479 1.00 64.21 N ATOM 807 CA GLN A 53 -9.074 -6.767 6.933 1.00 53.23 C ATOM 808 C GLN A 53 -7.672 -6.286 6.553 1.00 75.15 C ATOM 809 O GLN A 53 -6.702 -7.039 6.653 1.00 72.04 O ATOM 810 CB GLN A 53 -9.797 -7.419 5.736 1.00 1.14 C ATOM 811 CG GLN A 53 -10.014 -6.504 4.542 1.00 24.24 C ATOM 812 CD GLN A 53 -8.824 -6.461 3.598 1.00 2.14 C ATOM 813 OE1 GLN A 53 -8.537 -5.429 3.000 1.00 33.24 O ATOM 814 NE2 GLN A 53 -8.148 -7.590 3.440 1.00 13.43 N ATOM 0 H GLN A 53 -10.571 -5.294 6.847 1.00 64.21 H new ATOM 0 HA GLN A 53 -8.965 -7.531 7.702 1.00 53.23 H new ATOM 0 HB2 GLN A 53 -9.221 -8.286 5.411 1.00 1.14 H new ATOM 0 HB3 GLN A 53 -10.766 -7.788 6.073 1.00 1.14 H new ATOM 0 HG2 GLN A 53 -10.894 -6.837 3.992 1.00 24.24 H new ATOM 0 HG3 GLN A 53 -10.224 -5.495 4.898 1.00 24.24 H new ATOM 0 HE21 GLN A 53 -8.422 -8.425 3.958 1.00 13.43 H new ATOM 0 HE22 GLN A 53 -7.354 -7.624 2.801 1.00 13.43 H new ATOM 823 N ALA A 54 -7.570 -5.024 6.136 1.00 70.34 N ATOM 824 CA ALA A 54 -6.283 -4.427 5.795 1.00 53.44 C ATOM 825 C ALA A 54 -5.386 -4.354 7.022 1.00 72.42 C ATOM 826 O ALA A 54 -4.182 -4.581 6.937 1.00 4.12 O ATOM 827 CB ALA A 54 -6.478 -3.038 5.205 1.00 3.32 C ATOM 0 H ALA A 54 -8.366 -4.396 6.027 1.00 70.34 H new ATOM 0 HA ALA A 54 -5.801 -5.058 5.048 1.00 53.44 H new ATOM 0 HB1 ALA A 54 -5.507 -2.609 4.957 1.00 3.32 H new ATOM 0 HB2 ALA A 54 -7.085 -3.108 4.303 1.00 3.32 H new ATOM 0 HB3 ALA A 54 -6.981 -2.401 5.932 1.00 3.32 H new ATOM 833 N ARG A 55 -5.997 -4.045 8.160 1.00 24.21 N ATOM 834 CA ARG A 55 -5.288 -3.941 9.433 1.00 44.42 C ATOM 835 C ARG A 55 -4.473 -5.200 9.720 1.00 15.31 C ATOM 836 O ARG A 55 -3.318 -5.121 10.139 1.00 43.55 O ATOM 837 CB ARG A 55 -6.301 -3.713 10.554 1.00 41.34 C ATOM 838 CG ARG A 55 -5.692 -3.433 11.918 1.00 62.31 C ATOM 839 CD ARG A 55 -6.780 -3.382 12.974 1.00 44.51 C ATOM 840 NE ARG A 55 -6.320 -2.864 14.260 1.00 60.52 N ATOM 841 CZ ARG A 55 -7.149 -2.363 15.179 1.00 4.54 C ATOM 842 NH1 ARG A 55 -8.463 -2.421 14.982 1.00 34.04 N ATOM 843 NH2 ARG A 55 -6.675 -1.847 16.306 1.00 13.44 N ATOM 0 H ARG A 55 -6.998 -3.859 8.228 1.00 24.21 H new ATOM 0 HA ARG A 55 -4.596 -3.101 9.377 1.00 44.42 H new ATOM 0 HB2 ARG A 55 -6.943 -2.876 10.280 1.00 41.34 H new ATOM 0 HB3 ARG A 55 -6.940 -4.593 10.631 1.00 41.34 H new ATOM 0 HG2 ARG A 55 -4.968 -4.209 12.168 1.00 62.31 H new ATOM 0 HG3 ARG A 55 -5.151 -2.487 11.896 1.00 62.31 H new ATOM 0 HD2 ARG A 55 -7.598 -2.759 12.612 1.00 44.51 H new ATOM 0 HD3 ARG A 55 -7.183 -4.385 13.118 1.00 44.51 H new ATOM 0 HE ARG A 55 -5.321 -2.886 14.465 1.00 60.52 H new ATOM 0 HH11 ARG A 55 -8.833 -2.847 14.132 1.00 34.04 H new ATOM 0 HH12 ARG A 55 -9.101 -2.040 15.681 1.00 34.04 H new ATOM 0 HH21 ARG A 55 -5.669 -1.831 16.476 1.00 13.44 H new ATOM 0 HH22 ARG A 55 -7.316 -1.467 17.002 1.00 13.44 H new ATOM 857 N ASN A 56 -5.075 -6.357 9.477 1.00 25.25 N ATOM 858 CA ASN A 56 -4.415 -7.631 9.738 1.00 44.00 C ATOM 859 C ASN A 56 -3.291 -7.871 8.739 1.00 12.21 C ATOM 860 O ASN A 56 -2.162 -8.165 9.128 1.00 30.05 O ATOM 861 CB ASN A 56 -5.423 -8.782 9.681 1.00 13.11 C ATOM 862 CG ASN A 56 -4.793 -10.129 9.982 1.00 63.34 C ATOM 863 OD1 ASN A 56 -4.358 -10.845 9.078 1.00 4.22 O ATOM 864 ND2 ASN A 56 -4.741 -10.488 11.255 1.00 14.43 N ATOM 0 H ASN A 56 -6.019 -6.440 9.100 1.00 25.25 H new ATOM 0 HA ASN A 56 -3.987 -7.590 10.740 1.00 44.00 H new ATOM 0 HB2 ASN A 56 -6.225 -8.593 10.395 1.00 13.11 H new ATOM 0 HB3 ASN A 56 -5.878 -8.812 8.691 1.00 13.11 H new ATOM 0 HD21 ASN A 56 -4.330 -11.385 11.516 1.00 14.43 H new ATOM 0 HD22 ASN A 56 -5.112 -9.868 11.975 1.00 14.43 H new ATOM 871 N PHE A 57 -3.603 -7.721 7.456 1.00 14.43 N ATOM 872 CA PHE A 57 -2.622 -7.919 6.394 1.00 12.33 C ATOM 873 C PHE A 57 -1.412 -7.012 6.598 1.00 22.43 C ATOM 874 O PHE A 57 -0.269 -7.466 6.544 1.00 65.55 O ATOM 875 CB PHE A 57 -3.259 -7.652 5.030 1.00 12.34 C ATOM 876 CG PHE A 57 -2.325 -7.892 3.881 1.00 31.22 C ATOM 877 CD1 PHE A 57 -1.514 -6.874 3.416 1.00 71.22 C ATOM 878 CD2 PHE A 57 -2.252 -9.134 3.275 1.00 25.41 C ATOM 879 CE1 PHE A 57 -0.645 -7.089 2.371 1.00 45.25 C ATOM 880 CE2 PHE A 57 -1.383 -9.355 2.224 1.00 64.05 C ATOM 881 CZ PHE A 57 -0.579 -8.331 1.770 1.00 33.24 C ATOM 0 H PHE A 57 -4.532 -7.462 7.125 1.00 14.43 H new ATOM 0 HA PHE A 57 -2.283 -8.954 6.429 1.00 12.33 H new ATOM 0 HB2 PHE A 57 -4.136 -8.289 4.915 1.00 12.34 H new ATOM 0 HB3 PHE A 57 -3.608 -6.620 4.996 1.00 12.34 H new ATOM 0 HD1 PHE A 57 -1.563 -5.899 3.878 1.00 71.22 H new ATOM 0 HD2 PHE A 57 -2.881 -9.938 3.627 1.00 25.41 H new ATOM 0 HE1 PHE A 57 -0.014 -6.286 2.020 1.00 45.25 H new ATOM 0 HE2 PHE A 57 -1.333 -10.328 1.759 1.00 64.05 H new ATOM 0 HZ PHE A 57 0.100 -8.499 0.947 1.00 33.24 H new ATOM 891 N PHE A 58 -1.677 -5.734 6.833 1.00 73.30 N ATOM 892 CA PHE A 58 -0.623 -4.758 7.070 1.00 70.24 C ATOM 893 C PHE A 58 0.226 -5.143 8.276 1.00 12.40 C ATOM 894 O PHE A 58 1.449 -5.125 8.208 1.00 44.25 O ATOM 895 CB PHE A 58 -1.217 -3.361 7.275 1.00 12.31 C ATOM 896 CG PHE A 58 -1.532 -2.633 5.996 1.00 22.31 C ATOM 897 CD1 PHE A 58 -2.264 -3.241 4.985 1.00 33.33 C ATOM 898 CD2 PHE A 58 -1.101 -1.329 5.809 1.00 71.43 C ATOM 899 CE1 PHE A 58 -2.556 -2.564 3.816 1.00 35.12 C ATOM 900 CE2 PHE A 58 -1.391 -0.648 4.641 1.00 62.14 C ATOM 901 CZ PHE A 58 -2.119 -1.267 3.644 1.00 22.55 C ATOM 0 H PHE A 58 -2.620 -5.347 6.865 1.00 73.30 H new ATOM 0 HA PHE A 58 0.018 -4.745 6.189 1.00 70.24 H new ATOM 0 HB2 PHE A 58 -2.130 -3.449 7.865 1.00 12.31 H new ATOM 0 HB3 PHE A 58 -0.517 -2.762 7.858 1.00 12.31 H new ATOM 0 HD1 PHE A 58 -2.610 -4.256 5.114 1.00 33.33 H new ATOM 0 HD2 PHE A 58 -0.532 -0.839 6.585 1.00 71.43 H new ATOM 0 HE1 PHE A 58 -3.126 -3.050 3.038 1.00 35.12 H new ATOM 0 HE2 PHE A 58 -1.048 0.368 4.508 1.00 62.14 H new ATOM 0 HZ PHE A 58 -2.346 -0.736 2.731 1.00 22.55 H new ATOM 911 N PHE A 59 -0.424 -5.518 9.368 1.00 34.35 N ATOM 912 CA PHE A 59 0.282 -5.831 10.606 1.00 61.25 C ATOM 913 C PHE A 59 1.123 -7.096 10.450 1.00 24.33 C ATOM 914 O PHE A 59 2.183 -7.234 11.062 1.00 53.11 O ATOM 915 CB PHE A 59 -0.710 -5.992 11.763 1.00 52.12 C ATOM 916 CG PHE A 59 -0.047 -6.124 13.103 1.00 41.13 C ATOM 917 CD1 PHE A 59 0.614 -5.045 13.668 1.00 44.32 C ATOM 918 CD2 PHE A 59 -0.089 -7.320 13.799 1.00 44.24 C ATOM 919 CE1 PHE A 59 1.222 -5.157 14.904 1.00 14.14 C ATOM 920 CE2 PHE A 59 0.520 -7.438 15.034 1.00 24.34 C ATOM 921 CZ PHE A 59 1.175 -6.355 15.587 1.00 33.24 C ATOM 0 H PHE A 59 -1.438 -5.613 9.424 1.00 34.35 H new ATOM 0 HA PHE A 59 0.952 -5.001 10.832 1.00 61.25 H new ATOM 0 HB2 PHE A 59 -1.379 -5.132 11.780 1.00 52.12 H new ATOM 0 HB3 PHE A 59 -1.327 -6.872 11.583 1.00 52.12 H new ATOM 0 HD1 PHE A 59 0.654 -4.106 13.136 1.00 44.32 H new ATOM 0 HD2 PHE A 59 -0.603 -8.169 13.373 1.00 44.24 H new ATOM 0 HE1 PHE A 59 1.733 -4.308 15.334 1.00 14.14 H new ATOM 0 HE2 PHE A 59 0.484 -8.377 15.567 1.00 24.34 H new ATOM 0 HZ PHE A 59 1.650 -6.446 16.553 1.00 33.24 H new ATOM 931 N GLN A 60 0.655 -8.007 9.610 1.00 61.11 N ATOM 932 CA GLN A 60 1.337 -9.276 9.391 1.00 3.42 C ATOM 933 C GLN A 60 2.524 -9.139 8.441 1.00 75.35 C ATOM 934 O GLN A 60 3.143 -10.137 8.068 1.00 74.15 O ATOM 935 CB GLN A 60 0.355 -10.320 8.866 1.00 41.00 C ATOM 936 CG GLN A 60 -0.608 -10.822 9.930 1.00 53.12 C ATOM 937 CD GLN A 60 0.112 -11.482 11.090 1.00 43.21 C ATOM 938 OE1 GLN A 60 0.473 -10.828 12.072 1.00 72.53 O ATOM 939 NE2 GLN A 60 0.340 -12.780 10.980 1.00 24.41 N ATOM 0 H GLN A 60 -0.200 -7.891 9.065 1.00 61.11 H new ATOM 0 HA GLN A 60 1.731 -9.602 10.354 1.00 3.42 H new ATOM 0 HB2 GLN A 60 -0.215 -9.892 8.042 1.00 41.00 H new ATOM 0 HB3 GLN A 60 0.913 -11.165 8.462 1.00 41.00 H new ATOM 0 HG2 GLN A 60 -1.203 -9.988 10.301 1.00 53.12 H new ATOM 0 HG3 GLN A 60 -1.302 -11.534 9.483 1.00 53.12 H new ATOM 0 HE21 GLN A 60 0.025 -13.285 10.151 1.00 24.41 H new ATOM 0 HE22 GLN A 60 0.831 -13.276 11.724 1.00 24.41 H new ATOM 948 N SER A 61 2.845 -7.914 8.042 1.00 63.05 N ATOM 949 CA SER A 61 4.022 -7.681 7.218 1.00 14.15 C ATOM 950 C SER A 61 5.265 -7.586 8.098 1.00 12.12 C ATOM 951 O SER A 61 6.364 -7.973 7.690 1.00 72.11 O ATOM 952 CB SER A 61 3.863 -6.401 6.393 1.00 4.13 C ATOM 953 OG SER A 61 3.812 -5.257 7.229 1.00 74.31 O ATOM 0 H SER A 61 2.312 -7.075 8.273 1.00 63.05 H new ATOM 0 HA SER A 61 4.133 -8.520 6.531 1.00 14.15 H new ATOM 0 HB2 SER A 61 4.696 -6.309 5.696 1.00 4.13 H new ATOM 0 HB3 SER A 61 2.953 -6.460 5.797 1.00 4.13 H new ATOM 0 HG SER A 61 2.932 -5.204 7.657 1.00 74.31 H new ATOM 959 N GLY A 62 5.073 -7.093 9.316 1.00 45.03 N ATOM 960 CA GLY A 62 6.185 -6.911 10.228 1.00 30.14 C ATOM 961 C GLY A 62 6.452 -5.451 10.532 1.00 61.44 C ATOM 962 O GLY A 62 7.478 -5.110 11.125 1.00 54.45 O ATOM 0 H GLY A 62 4.165 -6.816 9.688 1.00 45.03 H new ATOM 0 HA2 GLY A 62 5.979 -7.441 11.158 1.00 30.14 H new ATOM 0 HA3 GLY A 62 7.081 -7.359 9.798 1.00 30.14 H new ATOM 966 N LEU A 63 5.539 -4.586 10.109 1.00 62.02 N ATOM 967 CA LEU A 63 5.646 -3.161 10.380 1.00 13.13 C ATOM 968 C LEU A 63 4.755 -2.778 11.556 1.00 62.41 C ATOM 969 O LEU A 63 3.676 -3.345 11.733 1.00 3.50 O ATOM 970 CB LEU A 63 5.234 -2.355 9.145 1.00 21.34 C ATOM 971 CG LEU A 63 6.135 -2.516 7.923 1.00 32.01 C ATOM 972 CD1 LEU A 63 5.473 -1.917 6.693 1.00 14.15 C ATOM 973 CD2 LEU A 63 7.481 -1.858 8.164 1.00 64.22 C ATOM 0 H LEU A 63 4.712 -4.850 9.574 1.00 62.02 H new ATOM 0 HA LEU A 63 6.683 -2.935 10.628 1.00 13.13 H new ATOM 0 HB2 LEU A 63 4.220 -2.642 8.867 1.00 21.34 H new ATOM 0 HB3 LEU A 63 5.203 -1.300 9.415 1.00 21.34 H new ATOM 0 HG LEU A 63 6.293 -3.581 7.752 1.00 32.01 H new ATOM 0 HD11 LEU A 63 6.128 -2.040 5.831 1.00 14.15 H new ATOM 0 HD12 LEU A 63 4.527 -2.425 6.505 1.00 14.15 H new ATOM 0 HD13 LEU A 63 5.288 -0.856 6.860 1.00 14.15 H new ATOM 0 HD21 LEU A 63 8.110 -1.983 7.283 1.00 64.22 H new ATOM 0 HD22 LEU A 63 7.337 -0.795 8.359 1.00 64.22 H new ATOM 0 HD23 LEU A 63 7.964 -2.323 9.023 1.00 64.22 H new ATOM 985 N PRO A 64 5.201 -1.825 12.384 1.00 22.13 N ATOM 986 CA PRO A 64 4.404 -1.299 13.496 1.00 24.04 C ATOM 987 C PRO A 64 3.174 -0.535 13.011 1.00 14.05 C ATOM 988 O PRO A 64 3.181 0.037 11.920 1.00 31.11 O ATOM 989 CB PRO A 64 5.364 -0.348 14.217 1.00 64.44 C ATOM 990 CG PRO A 64 6.723 -0.714 13.726 1.00 60.24 C ATOM 991 CD PRO A 64 6.531 -1.206 12.324 1.00 75.44 C ATOM 0 HA PRO A 64 4.021 -2.098 14.131 1.00 24.04 H new ATOM 0 HB2 PRO A 64 5.131 0.692 13.990 1.00 64.44 H new ATOM 0 HB3 PRO A 64 5.293 -0.462 15.299 1.00 64.44 H new ATOM 0 HG2 PRO A 64 7.392 0.146 13.751 1.00 60.24 H new ATOM 0 HG3 PRO A 64 7.171 -1.485 14.353 1.00 60.24 H new ATOM 0 HD2 PRO A 64 6.568 -0.392 11.600 1.00 75.44 H new ATOM 0 HD3 PRO A 64 7.300 -1.923 12.037 1.00 75.44 H new ATOM 999 N GLN A 65 2.135 -0.507 13.842 1.00 0.01 N ATOM 1000 CA GLN A 65 0.861 0.118 13.479 1.00 71.21 C ATOM 1001 C GLN A 65 1.005 1.586 13.050 1.00 1.21 C ATOM 1002 O GLN A 65 0.437 1.971 12.031 1.00 54.34 O ATOM 1003 CB GLN A 65 -0.150 -0.003 14.620 1.00 63.13 C ATOM 1004 CG GLN A 65 -0.565 -1.434 14.893 1.00 63.11 C ATOM 1005 CD GLN A 65 -1.616 -1.551 15.979 1.00 24.25 C ATOM 1006 OE1 GLN A 65 -2.458 -0.538 16.106 1.00 31.24 O flip ATOM 1007 NE2 GLN A 65 -1.673 -2.548 16.695 1.00 61.12 N flip ATOM 0 H GLN A 65 2.149 -0.912 14.778 1.00 0.01 H new ATOM 0 HA GLN A 65 0.494 -0.429 12.611 1.00 71.21 H new ATOM 0 HB2 GLN A 65 0.280 0.424 15.526 1.00 63.13 H new ATOM 0 HB3 GLN A 65 -1.035 0.586 14.379 1.00 63.13 H new ATOM 0 HG2 GLN A 65 -0.950 -1.876 13.974 1.00 63.11 H new ATOM 0 HG3 GLN A 65 0.313 -2.012 15.181 1.00 63.11 H new ATOM 0 HE21 GLN A 65 -1.005 -3.308 16.565 1.00 61.12 H new ATOM 0 HE22 GLN A 65 -2.388 -2.616 17.419 1.00 61.12 H new ATOM 1016 N PRO A 66 1.740 2.440 13.806 1.00 64.15 N ATOM 1017 CA PRO A 66 1.968 3.834 13.400 1.00 61.42 C ATOM 1018 C PRO A 66 2.576 3.931 12.001 1.00 12.14 C ATOM 1019 O PRO A 66 2.245 4.827 11.226 1.00 3.42 O ATOM 1020 CB PRO A 66 2.950 4.364 14.449 1.00 72.24 C ATOM 1021 CG PRO A 66 2.740 3.497 15.640 1.00 54.13 C ATOM 1022 CD PRO A 66 2.370 2.142 15.107 1.00 65.43 C ATOM 0 HA PRO A 66 1.038 4.401 13.352 1.00 61.42 H new ATOM 0 HB2 PRO A 66 3.979 4.305 14.093 1.00 72.24 H new ATOM 0 HB3 PRO A 66 2.753 5.410 14.682 1.00 72.24 H new ATOM 0 HG2 PRO A 66 3.643 3.444 16.248 1.00 54.13 H new ATOM 0 HG3 PRO A 66 1.950 3.894 16.277 1.00 54.13 H new ATOM 0 HD2 PRO A 66 3.246 1.504 14.991 1.00 65.43 H new ATOM 0 HD3 PRO A 66 1.683 1.622 15.775 1.00 65.43 H new ATOM 1030 N VAL A 67 3.451 2.983 11.684 1.00 32.45 N ATOM 1031 CA VAL A 67 4.104 2.935 10.384 1.00 31.53 C ATOM 1032 C VAL A 67 3.120 2.464 9.311 1.00 63.34 C ATOM 1033 O VAL A 67 3.121 2.959 8.181 1.00 15.54 O ATOM 1034 CB VAL A 67 5.331 1.995 10.428 1.00 2.22 C ATOM 1035 CG1 VAL A 67 6.034 1.942 9.084 1.00 62.30 C ATOM 1036 CG2 VAL A 67 6.299 2.438 11.518 1.00 31.15 C ATOM 0 H VAL A 67 3.725 2.232 12.317 1.00 32.45 H new ATOM 0 HA VAL A 67 4.443 3.940 10.133 1.00 31.53 H new ATOM 0 HB VAL A 67 4.976 0.991 10.659 1.00 2.22 H new ATOM 0 HG11 VAL A 67 6.892 1.273 9.148 1.00 62.30 H new ATOM 0 HG12 VAL A 67 5.343 1.574 8.326 1.00 62.30 H new ATOM 0 HG13 VAL A 67 6.373 2.941 8.811 1.00 62.30 H new ATOM 0 HG21 VAL A 67 7.158 1.767 11.537 1.00 31.15 H new ATOM 0 HG22 VAL A 67 6.637 3.454 11.314 1.00 31.15 H new ATOM 0 HG23 VAL A 67 5.796 2.411 12.485 1.00 31.15 H new ATOM 1046 N LEU A 68 2.273 1.515 9.688 1.00 43.12 N ATOM 1047 CA LEU A 68 1.231 0.999 8.806 1.00 30.43 C ATOM 1048 C LEU A 68 0.216 2.081 8.469 1.00 44.43 C ATOM 1049 O LEU A 68 -0.169 2.254 7.311 1.00 34.43 O ATOM 1050 CB LEU A 68 0.509 -0.161 9.486 1.00 1.25 C ATOM 1051 CG LEU A 68 1.377 -1.377 9.785 1.00 12.50 C ATOM 1052 CD1 LEU A 68 0.590 -2.401 10.589 1.00 2.24 C ATOM 1053 CD2 LEU A 68 1.892 -1.987 8.491 1.00 12.40 C ATOM 0 H LEU A 68 2.288 1.081 10.611 1.00 43.12 H new ATOM 0 HA LEU A 68 1.705 0.660 7.885 1.00 30.43 H new ATOM 0 HB2 LEU A 68 0.079 0.197 10.421 1.00 1.25 H new ATOM 0 HB3 LEU A 68 -0.321 -0.473 8.852 1.00 1.25 H new ATOM 0 HG LEU A 68 2.234 -1.061 10.379 1.00 12.50 H new ATOM 0 HD11 LEU A 68 1.222 -3.265 10.796 1.00 2.24 H new ATOM 0 HD12 LEU A 68 0.266 -1.955 11.529 1.00 2.24 H new ATOM 0 HD13 LEU A 68 -0.283 -2.718 10.019 1.00 2.24 H new ATOM 0 HD21 LEU A 68 2.511 -2.855 8.719 1.00 12.40 H new ATOM 0 HD22 LEU A 68 1.049 -2.295 7.873 1.00 12.40 H new ATOM 0 HD23 LEU A 68 2.486 -1.249 7.952 1.00 12.40 H new ATOM 1065 N ALA A 69 -0.209 2.798 9.501 1.00 2.05 N ATOM 1066 CA ALA A 69 -1.182 3.874 9.361 1.00 31.23 C ATOM 1067 C ALA A 69 -0.706 4.914 8.357 1.00 55.51 C ATOM 1068 O ALA A 69 -1.509 5.510 7.642 1.00 3.11 O ATOM 1069 CB ALA A 69 -1.443 4.520 10.714 1.00 23.24 C ATOM 0 H ALA A 69 0.111 2.650 10.458 1.00 2.05 H new ATOM 0 HA ALA A 69 -2.113 3.449 8.986 1.00 31.23 H new ATOM 0 HB1 ALA A 69 -2.171 5.323 10.599 1.00 23.24 H new ATOM 0 HB2 ALA A 69 -1.833 3.772 11.405 1.00 23.24 H new ATOM 0 HB3 ALA A 69 -0.512 4.928 11.108 1.00 23.24 H new ATOM 1075 N GLN A 70 0.607 5.111 8.296 1.00 61.02 N ATOM 1076 CA GLN A 70 1.199 6.056 7.372 1.00 4.01 C ATOM 1077 C GLN A 70 1.011 5.599 5.927 1.00 1.14 C ATOM 1078 O GLN A 70 0.763 6.410 5.042 1.00 72.13 O ATOM 1079 CB GLN A 70 2.682 6.213 7.691 1.00 51.11 C ATOM 1080 CG GLN A 70 2.984 7.366 8.634 1.00 71.30 C ATOM 1081 CD GLN A 70 2.598 8.718 8.062 1.00 13.45 C ATOM 1082 OE1 GLN A 70 1.377 9.154 8.338 1.00 4.43 O flip ATOM 1083 NE2 GLN A 70 3.395 9.370 7.387 1.00 72.12 N flip ATOM 0 H GLN A 70 1.282 4.621 8.884 1.00 61.02 H new ATOM 0 HA GLN A 70 0.700 7.018 7.484 1.00 4.01 H new ATOM 0 HB2 GLN A 70 3.050 5.287 8.133 1.00 51.11 H new ATOM 0 HB3 GLN A 70 3.231 6.362 6.761 1.00 51.11 H new ATOM 0 HG2 GLN A 70 2.452 7.209 9.572 1.00 71.30 H new ATOM 0 HG3 GLN A 70 4.049 7.367 8.868 1.00 71.30 H new ATOM 0 HE21 GLN A 70 4.326 8.999 7.197 1.00 72.12 H new ATOM 0 HE22 GLN A 70 3.124 10.281 7.018 1.00 72.12 H new ATOM 1092 N ILE A 71 1.119 4.293 5.700 1.00 35.51 N ATOM 1093 CA ILE A 71 0.934 3.729 4.365 1.00 61.41 C ATOM 1094 C ILE A 71 -0.515 3.871 3.933 1.00 74.33 C ATOM 1095 O ILE A 71 -0.801 4.249 2.803 1.00 1.12 O ATOM 1096 CB ILE A 71 1.332 2.237 4.311 1.00 2.21 C ATOM 1097 CG1 ILE A 71 2.810 2.065 4.656 1.00 72.33 C ATOM 1098 CG2 ILE A 71 1.043 1.651 2.934 1.00 22.24 C ATOM 1099 CD1 ILE A 71 3.221 0.627 4.884 1.00 12.24 C ATOM 0 H ILE A 71 1.333 3.605 6.422 1.00 35.51 H new ATOM 0 HA ILE A 71 1.584 4.283 3.687 1.00 61.41 H new ATOM 0 HB ILE A 71 0.735 1.700 5.048 1.00 2.21 H new ATOM 0 HG12 ILE A 71 3.413 2.482 3.849 1.00 72.33 H new ATOM 0 HG13 ILE A 71 3.034 2.643 5.552 1.00 72.33 H new ATOM 0 HG21 ILE A 71 1.331 0.600 2.918 1.00 22.24 H new ATOM 0 HG22 ILE A 71 -0.022 1.739 2.717 1.00 22.24 H new ATOM 0 HG23 ILE A 71 1.613 2.194 2.180 1.00 22.24 H new ATOM 0 HD11 ILE A 71 4.283 0.586 5.124 1.00 12.24 H new ATOM 0 HD12 ILE A 71 2.646 0.211 5.711 1.00 12.24 H new ATOM 0 HD13 ILE A 71 3.030 0.047 3.981 1.00 12.24 H new ATOM 1111 N TRP A 72 -1.424 3.576 4.849 1.00 63.42 N ATOM 1112 CA TRP A 72 -2.846 3.678 4.565 1.00 43.11 C ATOM 1113 C TRP A 72 -3.255 5.130 4.354 1.00 53.21 C ATOM 1114 O TRP A 72 -3.969 5.450 3.405 1.00 54.22 O ATOM 1115 CB TRP A 72 -3.651 3.063 5.702 1.00 14.35 C ATOM 1116 CG TRP A 72 -5.131 3.248 5.563 1.00 13.40 C ATOM 1117 CD1 TRP A 72 -5.857 3.302 4.408 1.00 71.42 C ATOM 1118 CD2 TRP A 72 -6.066 3.390 6.628 1.00 44.03 C ATOM 1119 NE1 TRP A 72 -7.184 3.488 4.697 1.00 43.43 N ATOM 1120 CE2 TRP A 72 -7.340 3.530 6.057 1.00 43.11 C ATOM 1121 CE3 TRP A 72 -5.941 3.414 8.013 1.00 43.12 C ATOM 1122 CZ2 TRP A 72 -8.484 3.682 6.828 1.00 13.15 C ATOM 1123 CZ3 TRP A 72 -7.078 3.563 8.782 1.00 22.31 C ATOM 1124 CH2 TRP A 72 -8.337 3.692 8.186 1.00 75.22 C ATOM 0 H TRP A 72 -1.202 3.264 5.795 1.00 63.42 H new ATOM 0 HA TRP A 72 -3.053 3.130 3.646 1.00 43.11 H new ATOM 0 HB2 TRP A 72 -3.431 1.997 5.756 1.00 14.35 H new ATOM 0 HB3 TRP A 72 -3.326 3.503 6.645 1.00 14.35 H new ATOM 0 HD1 TRP A 72 -5.446 3.212 3.413 1.00 71.42 H new ATOM 0 HE1 TRP A 72 -7.933 3.580 4.011 1.00 43.43 H new ATOM 0 HE3 TRP A 72 -4.971 3.318 8.479 1.00 43.12 H new ATOM 0 HZ2 TRP A 72 -9.456 3.789 6.370 1.00 13.15 H new ATOM 0 HZ3 TRP A 72 -6.994 3.580 9.859 1.00 22.31 H new ATOM 0 HH2 TRP A 72 -9.210 3.802 8.812 1.00 75.22 H new ATOM 1135 N ALA A 73 -2.784 6.007 5.229 1.00 24.21 N ATOM 1136 CA ALA A 73 -3.108 7.421 5.135 1.00 62.45 C ATOM 1137 C ALA A 73 -2.577 8.010 3.825 1.00 32.13 C ATOM 1138 O ALA A 73 -3.022 9.067 3.376 1.00 54.33 O ATOM 1139 CB ALA A 73 -2.538 8.181 6.322 1.00 3.20 C ATOM 0 H ALA A 73 -2.177 5.763 6.011 1.00 24.21 H new ATOM 0 HA ALA A 73 -4.193 7.522 5.147 1.00 62.45 H new ATOM 0 HB1 ALA A 73 -2.791 9.237 6.233 1.00 3.20 H new ATOM 0 HB2 ALA A 73 -2.959 7.783 7.245 1.00 3.20 H new ATOM 0 HB3 ALA A 73 -1.454 8.068 6.340 1.00 3.20 H new ATOM 1145 N LEU A 74 -1.600 7.321 3.241 1.00 43.22 N ATOM 1146 CA LEU A 74 -1.017 7.704 1.963 1.00 23.12 C ATOM 1147 C LEU A 74 -1.727 7.034 0.793 1.00 4.22 C ATOM 1148 O LEU A 74 -1.743 7.564 -0.317 1.00 3.20 O ATOM 1149 CB LEU A 74 0.458 7.317 1.931 1.00 45.21 C ATOM 1150 CG LEU A 74 1.417 8.360 2.493 1.00 63.34 C ATOM 1151 CD1 LEU A 74 2.842 7.840 2.461 1.00 72.12 C ATOM 1152 CD2 LEU A 74 1.303 9.646 1.701 1.00 74.32 C ATOM 0 H LEU A 74 -1.190 6.478 3.644 1.00 43.22 H new ATOM 0 HA LEU A 74 -1.131 8.783 1.863 1.00 23.12 H new ATOM 0 HB2 LEU A 74 0.586 6.391 2.491 1.00 45.21 H new ATOM 0 HB3 LEU A 74 0.739 7.107 0.899 1.00 45.21 H new ATOM 0 HG LEU A 74 1.150 8.562 3.530 1.00 63.34 H new ATOM 0 HD11 LEU A 74 3.515 8.596 2.866 1.00 72.12 H new ATOM 0 HD12 LEU A 74 2.912 6.933 3.062 1.00 72.12 H new ATOM 0 HD13 LEU A 74 3.125 7.616 1.432 1.00 72.12 H new ATOM 0 HD21 LEU A 74 1.991 10.387 2.109 1.00 74.32 H new ATOM 0 HD22 LEU A 74 1.553 9.454 0.658 1.00 74.32 H new ATOM 0 HD23 LEU A 74 0.283 10.024 1.766 1.00 74.32 H new ATOM 1164 N ALA A 75 -2.307 5.870 1.051 1.00 31.22 N ATOM 1165 CA ALA A 75 -2.929 5.072 0.004 1.00 62.22 C ATOM 1166 C ALA A 75 -4.109 5.803 -0.616 1.00 11.30 C ATOM 1167 O ALA A 75 -4.076 6.146 -1.799 1.00 52.43 O ATOM 1168 CB ALA A 75 -3.365 3.723 0.553 1.00 51.11 C ATOM 0 H ALA A 75 -2.360 5.456 1.982 1.00 31.22 H new ATOM 0 HA ALA A 75 -2.189 4.907 -0.779 1.00 62.22 H new ATOM 0 HB1 ALA A 75 -3.828 3.139 -0.242 1.00 51.11 H new ATOM 0 HB2 ALA A 75 -2.496 3.188 0.937 1.00 51.11 H new ATOM 0 HB3 ALA A 75 -4.084 3.873 1.358 1.00 51.11 H new ATOM 1174 N ASP A 76 -5.159 6.033 0.161 1.00 65.41 N ATOM 1175 CA ASP A 76 -6.223 6.884 -0.302 1.00 54.21 C ATOM 1176 C ASP A 76 -5.839 8.328 -0.048 1.00 42.11 C ATOM 1177 O ASP A 76 -5.972 8.845 1.055 1.00 21.30 O ATOM 1178 CB ASP A 76 -7.594 6.523 0.307 1.00 1.43 C ATOM 1179 CG ASP A 76 -7.601 6.237 1.801 1.00 44.42 C ATOM 1180 OD1 ASP A 76 -7.250 5.106 2.188 1.00 43.11 O ATOM 1181 OD2 ASP A 76 -8.036 7.112 2.583 1.00 52.42 O ATOM 0 H ASP A 76 -5.288 5.646 1.096 1.00 65.41 H new ATOM 0 HA ASP A 76 -6.349 6.730 -1.374 1.00 54.21 H new ATOM 0 HB2 ASP A 76 -8.285 7.343 0.110 1.00 1.43 H new ATOM 0 HB3 ASP A 76 -7.982 5.647 -0.213 1.00 1.43 H new ATOM 1186 N MET A 77 -5.296 8.946 -1.089 1.00 40.14 N ATOM 1187 CA MET A 77 -4.785 10.312 -1.028 1.00 5.40 C ATOM 1188 C MET A 77 -5.867 11.311 -0.625 1.00 65.33 C ATOM 1189 O MET A 77 -5.578 12.332 0.002 1.00 42.11 O ATOM 1190 CB MET A 77 -4.187 10.701 -2.380 1.00 53.03 C ATOM 1191 CG MET A 77 -2.891 9.972 -2.707 1.00 15.04 C ATOM 1192 SD MET A 77 -2.341 10.246 -4.406 1.00 64.11 S ATOM 1193 CE MET A 77 -3.567 9.300 -5.309 1.00 42.14 C ATOM 0 H MET A 77 -5.196 8.512 -2.006 1.00 40.14 H new ATOM 0 HA MET A 77 -4.012 10.343 -0.261 1.00 5.40 H new ATOM 0 HB2 MET A 77 -4.917 10.496 -3.163 1.00 53.03 H new ATOM 0 HB3 MET A 77 -4.002 11.775 -2.390 1.00 53.03 H new ATOM 0 HG2 MET A 77 -2.111 10.301 -2.020 1.00 15.04 H new ATOM 0 HG3 MET A 77 -3.030 8.903 -2.543 1.00 15.04 H new ATOM 0 HE1 MET A 77 -3.194 9.083 -6.310 1.00 42.14 H new ATOM 0 HE2 MET A 77 -3.763 8.365 -4.785 1.00 42.14 H new ATOM 0 HE3 MET A 77 -4.490 9.876 -5.382 1.00 42.14 H new ATOM 1203 N ASN A 78 -7.111 11.023 -0.989 1.00 61.14 N ATOM 1204 CA ASN A 78 -8.239 11.862 -0.588 1.00 43.24 C ATOM 1205 C ASN A 78 -8.584 11.592 0.877 1.00 15.34 C ATOM 1206 O ASN A 78 -9.311 12.355 1.517 1.00 5.51 O ATOM 1207 CB ASN A 78 -9.449 11.580 -1.490 1.00 72.31 C ATOM 1208 CG ASN A 78 -10.642 12.465 -1.176 1.00 71.32 C ATOM 1209 OD1 ASN A 78 -10.745 13.588 -1.668 1.00 1.01 O ATOM 1210 ND2 ASN A 78 -11.570 11.949 -0.391 1.00 1.24 N ATOM 0 H ASN A 78 -7.366 10.217 -1.560 1.00 61.14 H new ATOM 0 HA ASN A 78 -7.967 12.912 -0.696 1.00 43.24 H new ATOM 0 HB2 ASN A 78 -9.161 11.724 -2.531 1.00 72.31 H new ATOM 0 HB3 ASN A 78 -9.740 10.535 -1.382 1.00 72.31 H new ATOM 0 HD21 ASN A 78 -12.410 12.486 -0.173 1.00 1.24 H new ATOM 0 HD22 ASN A 78 -11.447 11.014 -0.003 1.00 1.24 H new ATOM 1217 N ASN A 79 -7.999 10.517 1.396 1.00 50.21 N ATOM 1218 CA ASN A 79 -8.208 10.050 2.763 1.00 2.21 C ATOM 1219 C ASN A 79 -9.685 9.898 3.082 1.00 24.40 C ATOM 1220 O ASN A 79 -10.265 10.683 3.836 1.00 54.11 O ATOM 1221 CB ASN A 79 -7.535 10.959 3.792 1.00 63.14 C ATOM 1222 CG ASN A 79 -7.466 10.303 5.160 1.00 63.20 C ATOM 1223 OD1 ASN A 79 -7.267 8.991 5.181 1.00 73.22 O flip ATOM 1224 ND2 ASN A 79 -7.577 10.968 6.190 1.00 15.05 N flip ATOM 0 H ASN A 79 -7.352 9.933 0.866 1.00 50.21 H new ATOM 0 HA ASN A 79 -7.739 9.068 2.828 1.00 2.21 H new ATOM 0 HB2 ASN A 79 -6.528 11.207 3.456 1.00 63.14 H new ATOM 0 HB3 ASN A 79 -8.086 11.897 3.865 1.00 63.14 H new ATOM 0 HD21 ASN A 79 -7.729 11.975 6.133 1.00 15.05 H new ATOM 0 HD22 ASN A 79 -7.517 10.512 7.100 1.00 15.05 H new ATOM 1231 N ASP A 80 -10.289 8.887 2.486 1.00 54.42 N ATOM 1232 CA ASP A 80 -11.667 8.540 2.788 1.00 22.14 C ATOM 1233 C ASP A 80 -11.701 7.589 3.965 1.00 43.22 C ATOM 1234 O ASP A 80 -12.741 7.397 4.595 1.00 12.31 O ATOM 1235 CB ASP A 80 -12.363 7.906 1.579 1.00 4.31 C ATOM 1236 CG ASP A 80 -12.625 8.904 0.472 1.00 53.44 C ATOM 1237 OD1 ASP A 80 -11.719 9.134 -0.352 1.00 10.23 O ATOM 1238 OD2 ASP A 80 -13.745 9.460 0.417 1.00 20.43 O ATOM 0 H ASP A 80 -9.846 8.290 1.788 1.00 54.42 H new ATOM 0 HA ASP A 80 -12.204 9.455 3.038 1.00 22.14 H new ATOM 0 HB2 ASP A 80 -11.746 7.094 1.193 1.00 4.31 H new ATOM 0 HB3 ASP A 80 -13.308 7.465 1.898 1.00 4.31 H new ATOM 1243 N GLY A 81 -10.549 7.003 4.263 1.00 10.35 N ATOM 1244 CA GLY A 81 -10.451 6.095 5.383 1.00 15.32 C ATOM 1245 C GLY A 81 -11.065 4.744 5.083 1.00 22.14 C ATOM 1246 O GLY A 81 -11.642 4.106 5.962 1.00 62.33 O ATOM 0 H GLY A 81 -9.680 7.142 3.747 1.00 10.35 H new ATOM 0 HA2 GLY A 81 -9.403 5.964 5.651 1.00 15.32 H new ATOM 0 HA3 GLY A 81 -10.948 6.534 6.248 1.00 15.32 H new ATOM 1250 N ARG A 82 -10.942 4.309 3.840 1.00 24.12 N ATOM 1251 CA ARG A 82 -11.484 3.019 3.426 1.00 12.53 C ATOM 1252 C ARG A 82 -10.547 2.290 2.477 1.00 0.22 C ATOM 1253 O ARG A 82 -10.627 1.071 2.351 1.00 4.24 O ATOM 1254 CB ARG A 82 -12.832 3.197 2.728 1.00 25.34 C ATOM 1255 CG ARG A 82 -14.034 3.075 3.642 1.00 45.22 C ATOM 1256 CD ARG A 82 -15.322 3.178 2.843 1.00 3.43 C ATOM 1257 NE ARG A 82 -16.500 2.826 3.632 1.00 65.42 N ATOM 1258 CZ ARG A 82 -17.481 2.041 3.176 1.00 23.30 C ATOM 1259 NH1 ARG A 82 -17.399 1.521 1.955 1.00 52.15 N ATOM 1260 NH2 ARG A 82 -18.539 1.777 3.935 1.00 5.22 N ATOM 0 H ARG A 82 -10.472 4.828 3.098 1.00 24.12 H new ATOM 0 HA ARG A 82 -11.605 2.427 4.333 1.00 12.53 H new ATOM 0 HB2 ARG A 82 -12.853 4.176 2.250 1.00 25.34 H new ATOM 0 HB3 ARG A 82 -12.917 2.454 1.935 1.00 25.34 H new ATOM 0 HG2 ARG A 82 -14.002 2.122 4.170 1.00 45.22 H new ATOM 0 HG3 ARG A 82 -14.004 3.859 4.398 1.00 45.22 H new ATOM 0 HD2 ARG A 82 -15.432 4.195 2.466 1.00 3.43 H new ATOM 0 HD3 ARG A 82 -15.261 2.522 1.975 1.00 3.43 H new ATOM 0 HE ARG A 82 -16.578 3.198 4.579 1.00 65.42 H new ATOM 0 HH11 ARG A 82 -16.589 1.721 1.369 1.00 52.15 H new ATOM 0 HH12 ARG A 82 -18.146 0.922 1.605 1.00 52.15 H new ATOM 0 HH21 ARG A 82 -18.606 2.174 4.872 1.00 5.22 H new ATOM 0 HH22 ARG A 82 -19.284 1.177 3.581 1.00 5.22 H new ATOM 1274 N MET A 83 -9.668 3.054 1.824 1.00 40.41 N ATOM 1275 CA MET A 83 -8.844 2.577 0.701 1.00 74.32 C ATOM 1276 C MET A 83 -9.675 1.775 -0.308 1.00 24.22 C ATOM 1277 O MET A 83 -10.909 1.846 -0.322 1.00 73.12 O ATOM 1278 CB MET A 83 -7.612 1.758 1.152 1.00 64.41 C ATOM 1279 CG MET A 83 -7.917 0.392 1.753 1.00 5.03 C ATOM 1280 SD MET A 83 -6.467 -0.681 1.807 1.00 31.23 S ATOM 1281 CE MET A 83 -5.366 0.265 2.854 1.00 24.51 C ATOM 0 H MET A 83 -9.504 4.033 2.060 1.00 40.41 H new ATOM 0 HA MET A 83 -8.468 3.476 0.212 1.00 74.32 H new ATOM 0 HB2 MET A 83 -6.955 1.619 0.293 1.00 64.41 H new ATOM 0 HB3 MET A 83 -7.057 2.343 1.886 1.00 64.41 H new ATOM 0 HG2 MET A 83 -8.306 0.522 2.763 1.00 5.03 H new ATOM 0 HG3 MET A 83 -8.701 -0.091 1.169 1.00 5.03 H new ATOM 0 HE1 MET A 83 -4.471 -0.321 3.064 1.00 24.51 H new ATOM 0 HE2 MET A 83 -5.085 1.188 2.347 1.00 24.51 H new ATOM 0 HE3 MET A 83 -5.871 0.505 3.790 1.00 24.51 H new ATOM 1291 N ASP A 84 -8.985 1.048 -1.172 1.00 4.45 N ATOM 1292 CA ASP A 84 -9.614 0.224 -2.195 1.00 5.24 C ATOM 1293 C ASP A 84 -8.512 -0.516 -2.933 1.00 34.34 C ATOM 1294 O ASP A 84 -7.342 -0.328 -2.619 1.00 44.55 O ATOM 1295 CB ASP A 84 -10.426 1.094 -3.164 1.00 2.24 C ATOM 1296 CG ASP A 84 -11.305 0.295 -4.103 1.00 60.11 C ATOM 1297 OD1 ASP A 84 -12.464 0.007 -3.738 1.00 33.22 O ATOM 1298 OD2 ASP A 84 -10.843 -0.038 -5.214 1.00 23.31 O ATOM 0 H ASP A 84 -7.966 1.012 -1.184 1.00 4.45 H new ATOM 0 HA ASP A 84 -10.305 -0.485 -1.739 1.00 5.24 H new ATOM 0 HB2 ASP A 84 -11.050 1.778 -2.589 1.00 2.24 H new ATOM 0 HB3 ASP A 84 -9.741 1.705 -3.752 1.00 2.24 H new ATOM 1303 N GLN A 85 -8.863 -1.334 -3.912 1.00 61.32 N ATOM 1304 CA GLN A 85 -7.863 -2.060 -4.682 1.00 2.44 C ATOM 1305 C GLN A 85 -7.126 -1.099 -5.605 1.00 4.04 C ATOM 1306 O GLN A 85 -5.983 -1.345 -5.988 1.00 42.01 O ATOM 1307 CB GLN A 85 -8.493 -3.207 -5.486 1.00 40.35 C ATOM 1308 CG GLN A 85 -9.717 -2.803 -6.292 1.00 25.11 C ATOM 1309 CD GLN A 85 -11.029 -3.109 -5.588 1.00 50.04 C ATOM 1310 OE1 GLN A 85 -11.005 -3.207 -4.264 1.00 11.24 O flip ATOM 1311 NE2 GLN A 85 -12.059 -3.292 -6.235 1.00 34.15 N flip ATOM 0 H GLN A 85 -9.827 -1.512 -4.192 1.00 61.32 H new ATOM 0 HA GLN A 85 -7.152 -2.504 -3.985 1.00 2.44 H new ATOM 0 HB2 GLN A 85 -7.744 -3.615 -6.164 1.00 40.35 H new ATOM 0 HB3 GLN A 85 -8.771 -4.007 -4.800 1.00 40.35 H new ATOM 0 HG2 GLN A 85 -9.667 -1.735 -6.504 1.00 25.11 H new ATOM 0 HG3 GLN A 85 -9.698 -3.320 -7.251 1.00 25.11 H new ATOM 0 HE21 GLN A 85 -12.044 -3.209 -7.252 1.00 34.15 H new ATOM 0 HE22 GLN A 85 -12.928 -3.526 -5.755 1.00 34.15 H new ATOM 1320 N VAL A 86 -7.783 0.005 -5.940 1.00 44.11 N ATOM 1321 CA VAL A 86 -7.153 1.052 -6.727 1.00 63.42 C ATOM 1322 C VAL A 86 -6.077 1.750 -5.897 1.00 1.21 C ATOM 1323 O VAL A 86 -4.930 1.852 -6.313 1.00 23.23 O ATOM 1324 CB VAL A 86 -8.179 2.096 -7.215 1.00 54.23 C ATOM 1325 CG1 VAL A 86 -7.498 3.163 -8.057 1.00 62.14 C ATOM 1326 CG2 VAL A 86 -9.298 1.425 -7.998 1.00 3.54 C ATOM 0 H VAL A 86 -8.750 0.196 -5.678 1.00 44.11 H new ATOM 0 HA VAL A 86 -6.704 0.582 -7.602 1.00 63.42 H new ATOM 0 HB VAL A 86 -8.617 2.579 -6.342 1.00 54.23 H new ATOM 0 HG11 VAL A 86 -8.238 3.890 -8.392 1.00 62.14 H new ATOM 0 HG12 VAL A 86 -6.738 3.667 -7.460 1.00 62.14 H new ATOM 0 HG13 VAL A 86 -7.029 2.698 -8.924 1.00 62.14 H new ATOM 0 HG21 VAL A 86 -10.011 2.179 -8.333 1.00 3.54 H new ATOM 0 HG22 VAL A 86 -8.879 0.912 -8.864 1.00 3.54 H new ATOM 0 HG23 VAL A 86 -9.807 0.703 -7.359 1.00 3.54 H new ATOM 1336 N GLU A 87 -6.454 2.210 -4.713 1.00 5.13 N ATOM 1337 CA GLU A 87 -5.516 2.871 -3.812 1.00 33.12 C ATOM 1338 C GLU A 87 -4.475 1.885 -3.282 1.00 30.33 C ATOM 1339 O GLU A 87 -3.319 2.241 -3.075 1.00 13.03 O ATOM 1340 CB GLU A 87 -6.257 3.538 -2.647 1.00 45.15 C ATOM 1341 CG GLU A 87 -7.004 4.812 -3.029 1.00 34.45 C ATOM 1342 CD GLU A 87 -8.095 4.587 -4.056 1.00 21.03 C ATOM 1343 OE1 GLU A 87 -8.879 3.628 -3.897 1.00 32.03 O ATOM 1344 OE2 GLU A 87 -8.183 5.370 -5.023 1.00 4.02 O ATOM 0 H GLU A 87 -7.405 2.138 -4.351 1.00 5.13 H new ATOM 0 HA GLU A 87 -4.998 3.643 -4.381 1.00 33.12 H new ATOM 0 HB2 GLU A 87 -6.967 2.826 -2.227 1.00 45.15 H new ATOM 0 HB3 GLU A 87 -5.539 3.773 -1.861 1.00 45.15 H new ATOM 0 HG2 GLU A 87 -7.444 5.249 -2.132 1.00 34.45 H new ATOM 0 HG3 GLU A 87 -6.292 5.538 -3.420 1.00 34.45 H new ATOM 1351 N PHE A 88 -4.885 0.642 -3.068 1.00 54.20 N ATOM 1352 CA PHE A 88 -3.967 -0.395 -2.610 1.00 70.04 C ATOM 1353 C PHE A 88 -2.877 -0.658 -3.647 1.00 22.44 C ATOM 1354 O PHE A 88 -1.761 -1.040 -3.293 1.00 62.24 O ATOM 1355 CB PHE A 88 -4.720 -1.695 -2.300 1.00 14.02 C ATOM 1356 CG PHE A 88 -3.844 -2.791 -1.760 1.00 2.02 C ATOM 1357 CD1 PHE A 88 -3.357 -2.728 -0.463 1.00 62.33 C ATOM 1358 CD2 PHE A 88 -3.503 -3.879 -2.546 1.00 21.24 C ATOM 1359 CE1 PHE A 88 -2.549 -3.731 0.035 1.00 44.21 C ATOM 1360 CE2 PHE A 88 -2.694 -4.883 -2.053 1.00 52.01 C ATOM 1361 CZ PHE A 88 -2.216 -4.809 -0.760 1.00 43.41 C ATOM 0 H PHE A 88 -5.845 0.326 -3.204 1.00 54.20 H new ATOM 0 HA PHE A 88 -3.496 -0.037 -1.694 1.00 70.04 H new ATOM 0 HB2 PHE A 88 -5.508 -1.484 -1.577 1.00 14.02 H new ATOM 0 HB3 PHE A 88 -5.207 -2.047 -3.209 1.00 14.02 H new ATOM 0 HD1 PHE A 88 -3.612 -1.886 0.164 1.00 62.33 H new ATOM 0 HD2 PHE A 88 -3.875 -3.943 -3.558 1.00 21.24 H new ATOM 0 HE1 PHE A 88 -2.177 -3.672 1.047 1.00 44.21 H new ATOM 0 HE2 PHE A 88 -2.435 -5.725 -2.678 1.00 52.01 H new ATOM 0 HZ PHE A 88 -1.583 -5.593 -0.371 1.00 43.41 H new ATOM 1371 N SER A 89 -3.188 -0.427 -4.921 1.00 52.30 N ATOM 1372 CA SER A 89 -2.243 -0.719 -5.994 1.00 23.14 C ATOM 1373 C SER A 89 -0.981 0.134 -5.853 1.00 11.34 C ATOM 1374 O SER A 89 0.093 -0.254 -6.304 1.00 12.12 O ATOM 1375 CB SER A 89 -2.879 -0.489 -7.370 1.00 25.50 C ATOM 1376 OG SER A 89 -2.999 0.893 -7.667 1.00 10.42 O ATOM 0 H SER A 89 -4.080 -0.042 -5.233 1.00 52.30 H new ATOM 0 HA SER A 89 -1.968 -1.771 -5.913 1.00 23.14 H new ATOM 0 HB2 SER A 89 -2.275 -0.975 -8.136 1.00 25.50 H new ATOM 0 HB3 SER A 89 -3.864 -0.954 -7.398 1.00 25.50 H new ATOM 0 HG SER A 89 -3.879 1.214 -7.380 1.00 10.42 H new ATOM 1382 N ILE A 90 -1.119 1.295 -5.222 1.00 0.30 N ATOM 1383 CA ILE A 90 0.019 2.174 -4.995 1.00 21.15 C ATOM 1384 C ILE A 90 0.566 1.981 -3.576 1.00 72.23 C ATOM 1385 O ILE A 90 1.747 2.216 -3.311 1.00 15.40 O ATOM 1386 CB ILE A 90 -0.362 3.662 -5.237 1.00 75.15 C ATOM 1387 CG1 ILE A 90 0.886 4.546 -5.259 1.00 3.13 C ATOM 1388 CG2 ILE A 90 -1.333 4.159 -4.179 1.00 33.11 C ATOM 1389 CD1 ILE A 90 0.593 6.005 -5.555 1.00 14.45 C ATOM 0 H ILE A 90 -2.005 1.647 -4.860 1.00 0.30 H new ATOM 0 HA ILE A 90 0.799 1.910 -5.710 1.00 21.15 H new ATOM 0 HB ILE A 90 -0.852 3.722 -6.209 1.00 75.15 H new ATOM 0 HG12 ILE A 90 1.389 4.474 -4.295 1.00 3.13 H new ATOM 0 HG13 ILE A 90 1.578 4.164 -6.009 1.00 3.13 H new ATOM 0 HG21 ILE A 90 -1.581 5.202 -4.374 1.00 33.11 H new ATOM 0 HG22 ILE A 90 -2.242 3.558 -4.208 1.00 33.11 H new ATOM 0 HG23 ILE A 90 -0.873 4.074 -3.194 1.00 33.11 H new ATOM 0 HD11 ILE A 90 1.525 6.571 -5.554 1.00 14.45 H new ATOM 0 HD12 ILE A 90 0.118 6.090 -6.532 1.00 14.45 H new ATOM 0 HD13 ILE A 90 -0.074 6.404 -4.791 1.00 14.45 H new ATOM 1401 N ALA A 91 -0.296 1.502 -2.679 1.00 23.35 N ATOM 1402 CA ALA A 91 0.064 1.312 -1.277 1.00 21.54 C ATOM 1403 C ALA A 91 0.911 0.060 -1.081 1.00 25.01 C ATOM 1404 O ALA A 91 1.783 0.028 -0.215 1.00 44.23 O ATOM 1405 CB ALA A 91 -1.191 1.229 -0.422 1.00 33.05 C ATOM 0 H ALA A 91 -1.255 1.237 -2.903 1.00 23.35 H new ATOM 0 HA ALA A 91 0.659 2.171 -0.966 1.00 21.54 H new ATOM 0 HB1 ALA A 91 -0.911 1.087 0.622 1.00 33.05 H new ATOM 0 HB2 ALA A 91 -1.762 2.152 -0.523 1.00 33.05 H new ATOM 0 HB3 ALA A 91 -1.801 0.388 -0.752 1.00 33.05 H new ATOM 1411 N MET A 92 0.652 -0.965 -1.889 1.00 34.22 N ATOM 1412 CA MET A 92 1.376 -2.231 -1.782 1.00 22.54 C ATOM 1413 C MET A 92 2.867 -2.028 -2.025 1.00 44.21 C ATOM 1414 O MET A 92 3.702 -2.748 -1.476 1.00 73.54 O ATOM 1415 CB MET A 92 0.798 -3.268 -2.758 1.00 61.50 C ATOM 1416 CG MET A 92 0.865 -2.870 -4.227 1.00 53.21 C ATOM 1417 SD MET A 92 2.488 -3.146 -4.966 1.00 21.22 S ATOM 1418 CE MET A 92 2.238 -2.464 -6.602 1.00 11.23 C ATOM 0 H MET A 92 -0.054 -0.945 -2.625 1.00 34.22 H new ATOM 0 HA MET A 92 1.251 -2.610 -0.768 1.00 22.54 H new ATOM 0 HB2 MET A 92 1.333 -4.208 -2.626 1.00 61.50 H new ATOM 0 HB3 MET A 92 -0.243 -3.454 -2.494 1.00 61.50 H new ATOM 0 HG2 MET A 92 0.118 -3.436 -4.784 1.00 53.21 H new ATOM 0 HG3 MET A 92 0.604 -1.816 -4.323 1.00 53.21 H new ATOM 0 HE1 MET A 92 3.062 -2.762 -7.250 1.00 11.23 H new ATOM 0 HE2 MET A 92 1.300 -2.837 -7.012 1.00 11.23 H new ATOM 0 HE3 MET A 92 2.200 -1.376 -6.541 1.00 11.23 H new ATOM 1428 N LYS A 93 3.194 -1.021 -2.823 1.00 34.25 N ATOM 1429 CA LYS A 93 4.577 -0.705 -3.131 1.00 51.22 C ATOM 1430 C LYS A 93 5.254 -0.101 -1.904 1.00 33.45 C ATOM 1431 O LYS A 93 6.456 -0.266 -1.697 1.00 11.10 O ATOM 1432 CB LYS A 93 4.632 0.266 -4.316 1.00 4.21 C ATOM 1433 CG LYS A 93 6.032 0.503 -4.869 1.00 61.15 C ATOM 1434 CD LYS A 93 6.013 1.530 -5.994 1.00 61.11 C ATOM 1435 CE LYS A 93 7.415 1.878 -6.471 1.00 44.23 C ATOM 1436 NZ LYS A 93 8.014 0.817 -7.327 1.00 10.13 N ATOM 0 H LYS A 93 2.513 -0.407 -3.270 1.00 34.25 H new ATOM 0 HA LYS A 93 5.108 -1.617 -3.404 1.00 51.22 H new ATOM 0 HB2 LYS A 93 3.999 -0.119 -5.115 1.00 4.21 H new ATOM 0 HB3 LYS A 93 4.210 1.222 -4.007 1.00 4.21 H new ATOM 0 HG2 LYS A 93 6.688 0.847 -4.070 1.00 61.15 H new ATOM 0 HG3 LYS A 93 6.444 -0.436 -5.237 1.00 61.15 H new ATOM 0 HD2 LYS A 93 5.432 1.141 -6.830 1.00 61.11 H new ATOM 0 HD3 LYS A 93 5.512 2.435 -5.651 1.00 61.11 H new ATOM 0 HE2 LYS A 93 7.382 2.813 -7.030 1.00 44.23 H new ATOM 0 HE3 LYS A 93 8.057 2.046 -5.606 1.00 44.23 H new ATOM 0 HZ1 LYS A 93 9.049 0.831 -7.225 1.00 10.13 H new ATOM 0 HZ2 LYS A 93 7.650 -0.112 -7.034 1.00 10.13 H new ATOM 0 HZ3 LYS A 93 7.762 0.990 -8.321 1.00 10.13 H new ATOM 1450 N LEU A 94 4.464 0.579 -1.075 1.00 21.53 N ATOM 1451 CA LEU A 94 4.978 1.193 0.138 1.00 42.55 C ATOM 1452 C LEU A 94 5.201 0.156 1.224 1.00 42.31 C ATOM 1453 O LEU A 94 6.034 0.351 2.108 1.00 11.33 O ATOM 1454 CB LEU A 94 4.030 2.272 0.656 1.00 14.12 C ATOM 1455 CG LEU A 94 4.651 3.659 0.761 1.00 42.24 C ATOM 1456 CD1 LEU A 94 4.913 4.237 -0.625 1.00 53.34 C ATOM 1457 CD2 LEU A 94 3.759 4.580 1.575 1.00 41.13 C ATOM 0 H LEU A 94 3.465 0.716 -1.226 1.00 21.53 H new ATOM 0 HA LEU A 94 5.933 1.653 -0.116 1.00 42.55 H new ATOM 0 HB2 LEU A 94 3.164 2.324 -0.004 1.00 14.12 H new ATOM 0 HB3 LEU A 94 3.665 1.976 1.639 1.00 14.12 H new ATOM 0 HG LEU A 94 5.608 3.572 1.275 1.00 42.24 H new ATOM 0 HD11 LEU A 94 5.357 5.228 -0.528 1.00 53.34 H new ATOM 0 HD12 LEU A 94 5.597 3.585 -1.168 1.00 53.34 H new ATOM 0 HD13 LEU A 94 3.973 4.312 -1.172 1.00 53.34 H new ATOM 0 HD21 LEU A 94 4.218 5.567 1.640 1.00 41.13 H new ATOM 0 HD22 LEU A 94 2.785 4.664 1.092 1.00 41.13 H new ATOM 0 HD23 LEU A 94 3.633 4.172 2.578 1.00 41.13 H new ATOM 1469 N ILE A 95 4.455 -0.941 1.161 1.00 55.11 N ATOM 1470 CA ILE A 95 4.614 -2.012 2.135 1.00 0.03 C ATOM 1471 C ILE A 95 6.025 -2.578 2.035 1.00 73.42 C ATOM 1472 O ILE A 95 6.749 -2.658 3.026 1.00 22.20 O ATOM 1473 CB ILE A 95 3.595 -3.158 1.920 1.00 43.33 C ATOM 1474 CG1 ILE A 95 2.165 -2.617 1.854 1.00 34.01 C ATOM 1475 CG2 ILE A 95 3.709 -4.197 3.032 1.00 53.30 C ATOM 1476 CD1 ILE A 95 1.673 -2.016 3.151 1.00 53.32 C ATOM 0 H ILE A 95 3.741 -1.111 0.453 1.00 55.11 H new ATOM 0 HA ILE A 95 4.434 -1.587 3.122 1.00 0.03 H new ATOM 0 HB ILE A 95 3.828 -3.635 0.968 1.00 43.33 H new ATOM 0 HG12 ILE A 95 2.110 -1.860 1.071 1.00 34.01 H new ATOM 0 HG13 ILE A 95 1.495 -3.426 1.563 1.00 34.01 H new ATOM 0 HG21 ILE A 95 2.984 -4.993 2.862 1.00 53.30 H new ATOM 0 HG22 ILE A 95 4.715 -4.617 3.036 1.00 53.30 H new ATOM 0 HG23 ILE A 95 3.509 -3.724 3.994 1.00 53.30 H new ATOM 0 HD11 ILE A 95 0.652 -1.656 3.021 1.00 53.32 H new ATOM 0 HD12 ILE A 95 1.693 -2.774 3.934 1.00 53.32 H new ATOM 0 HD13 ILE A 95 2.318 -1.184 3.434 1.00 53.32 H new ATOM 1488 N LYS A 96 6.414 -2.941 0.817 1.00 14.03 N ATOM 1489 CA LYS A 96 7.756 -3.433 0.552 1.00 61.52 C ATOM 1490 C LYS A 96 8.795 -2.348 0.807 1.00 63.42 C ATOM 1491 O LYS A 96 9.886 -2.623 1.303 1.00 70.35 O ATOM 1492 CB LYS A 96 7.858 -3.922 -0.890 1.00 34.10 C ATOM 1493 CG LYS A 96 7.773 -5.431 -1.037 1.00 74.23 C ATOM 1494 CD LYS A 96 8.894 -6.121 -0.276 1.00 13.20 C ATOM 1495 CE LYS A 96 8.958 -7.607 -0.586 1.00 35.15 C ATOM 1496 NZ LYS A 96 9.987 -8.293 0.234 1.00 40.55 N ATOM 0 H LYS A 96 5.812 -2.902 -0.006 1.00 14.03 H new ATOM 0 HA LYS A 96 7.954 -4.264 1.229 1.00 61.52 H new ATOM 0 HB2 LYS A 96 7.060 -3.465 -1.475 1.00 34.10 H new ATOM 0 HB3 LYS A 96 8.802 -3.578 -1.314 1.00 34.10 H new ATOM 0 HG2 LYS A 96 6.809 -5.781 -0.667 1.00 74.23 H new ATOM 0 HG3 LYS A 96 7.827 -5.700 -2.092 1.00 74.23 H new ATOM 0 HD2 LYS A 96 9.846 -5.656 -0.531 1.00 13.20 H new ATOM 0 HD3 LYS A 96 8.747 -5.979 0.795 1.00 13.20 H new ATOM 0 HE2 LYS A 96 7.984 -8.060 -0.402 1.00 35.15 H new ATOM 0 HE3 LYS A 96 9.181 -7.749 -1.644 1.00 35.15 H new ATOM 0 HZ1 LYS A 96 10.003 -9.305 -0.004 1.00 40.55 H new ATOM 0 HZ2 LYS A 96 10.920 -7.877 0.039 1.00 40.55 H new ATOM 0 HZ3 LYS A 96 9.761 -8.178 1.243 1.00 40.55 H new ATOM 1510 N LEU A 97 8.439 -1.118 0.465 1.00 45.25 N ATOM 1511 CA LEU A 97 9.320 0.030 0.645 1.00 32.42 C ATOM 1512 C LEU A 97 9.690 0.214 2.119 1.00 60.02 C ATOM 1513 O LEU A 97 10.860 0.400 2.464 1.00 2.31 O ATOM 1514 CB LEU A 97 8.624 1.288 0.129 1.00 64.21 C ATOM 1515 CG LEU A 97 9.484 2.549 0.101 1.00 74.20 C ATOM 1516 CD1 LEU A 97 10.495 2.484 -1.032 1.00 33.41 C ATOM 1517 CD2 LEU A 97 8.607 3.784 -0.021 1.00 13.30 C ATOM 0 H LEU A 97 7.534 -0.887 0.056 1.00 45.25 H new ATOM 0 HA LEU A 97 10.237 -0.145 0.083 1.00 32.42 H new ATOM 0 HB2 LEU A 97 8.262 1.094 -0.880 1.00 64.21 H new ATOM 0 HB3 LEU A 97 7.749 1.479 0.751 1.00 64.21 H new ATOM 0 HG LEU A 97 10.036 2.614 1.039 1.00 74.20 H new ATOM 0 HD11 LEU A 97 11.098 3.392 -1.034 1.00 33.41 H new ATOM 0 HD12 LEU A 97 11.143 1.619 -0.892 1.00 33.41 H new ATOM 0 HD13 LEU A 97 9.970 2.394 -1.983 1.00 33.41 H new ATOM 0 HD21 LEU A 97 9.234 4.675 -0.040 1.00 13.30 H new ATOM 0 HD22 LEU A 97 8.027 3.729 -0.942 1.00 13.30 H new ATOM 0 HD23 LEU A 97 7.930 3.835 0.831 1.00 13.30 H new ATOM 1529 N LYS A 98 8.689 0.156 2.986 1.00 1.34 N ATOM 1530 CA LYS A 98 8.904 0.347 4.413 1.00 24.35 C ATOM 1531 C LYS A 98 9.585 -0.862 5.039 1.00 40.44 C ATOM 1532 O LYS A 98 10.382 -0.722 5.967 1.00 60.24 O ATOM 1533 CB LYS A 98 7.595 0.655 5.116 1.00 71.44 C ATOM 1534 CG LYS A 98 7.077 2.031 4.760 1.00 2.32 C ATOM 1535 CD LYS A 98 6.067 2.519 5.768 1.00 54.44 C ATOM 1536 CE LYS A 98 5.670 3.953 5.495 1.00 21.42 C ATOM 1537 NZ LYS A 98 6.841 4.865 5.480 1.00 32.42 N ATOM 0 H LYS A 98 7.719 -0.022 2.726 1.00 1.34 H new ATOM 0 HA LYS A 98 9.570 1.201 4.538 1.00 24.35 H new ATOM 0 HB2 LYS A 98 6.852 -0.095 4.845 1.00 71.44 H new ATOM 0 HB3 LYS A 98 7.737 0.588 6.195 1.00 71.44 H new ATOM 0 HG2 LYS A 98 7.910 2.732 4.709 1.00 2.32 H new ATOM 0 HG3 LYS A 98 6.621 2.005 3.770 1.00 2.32 H new ATOM 0 HD2 LYS A 98 5.183 1.882 5.738 1.00 54.44 H new ATOM 0 HD3 LYS A 98 6.484 2.439 6.772 1.00 54.44 H new ATOM 0 HE2 LYS A 98 5.155 4.010 4.536 1.00 21.42 H new ATOM 0 HE3 LYS A 98 4.963 4.284 6.256 1.00 21.42 H new ATOM 0 HZ1 LYS A 98 6.512 5.852 5.477 1.00 32.42 H new ATOM 0 HZ2 LYS A 98 7.423 4.697 6.325 1.00 32.42 H new ATOM 0 HZ3 LYS A 98 7.409 4.686 4.627 1.00 32.42 H new ATOM 1551 N LEU A 99 9.277 -2.048 4.520 1.00 31.31 N ATOM 1552 CA LEU A 99 9.934 -3.273 4.969 1.00 53.54 C ATOM 1553 C LEU A 99 11.404 -3.267 4.570 1.00 14.33 C ATOM 1554 O LEU A 99 12.247 -3.832 5.265 1.00 40.23 O ATOM 1555 CB LEU A 99 9.243 -4.511 4.385 1.00 14.31 C ATOM 1556 CG LEU A 99 7.873 -4.834 4.986 1.00 25.32 C ATOM 1557 CD1 LEU A 99 7.206 -5.956 4.211 1.00 74.42 C ATOM 1558 CD2 LEU A 99 8.011 -5.214 6.453 1.00 43.35 C ATOM 0 H LEU A 99 8.578 -2.187 3.790 1.00 31.31 H new ATOM 0 HA LEU A 99 9.860 -3.313 6.056 1.00 53.54 H new ATOM 0 HB2 LEU A 99 9.127 -4.370 3.310 1.00 14.31 H new ATOM 0 HB3 LEU A 99 9.896 -5.372 4.525 1.00 14.31 H new ATOM 0 HG LEU A 99 7.248 -3.944 4.916 1.00 25.32 H new ATOM 0 HD11 LEU A 99 6.233 -6.174 4.651 1.00 74.42 H new ATOM 0 HD12 LEU A 99 7.075 -5.653 3.172 1.00 74.42 H new ATOM 0 HD13 LEU A 99 7.831 -6.848 4.253 1.00 74.42 H new ATOM 0 HD21 LEU A 99 7.027 -5.440 6.864 1.00 43.35 H new ATOM 0 HD22 LEU A 99 8.653 -6.091 6.543 1.00 43.35 H new ATOM 0 HD23 LEU A 99 8.452 -4.383 7.004 1.00 43.35 H new ATOM 1570 N GLN A 100 11.704 -2.617 3.451 1.00 72.25 N ATOM 1571 CA GLN A 100 13.074 -2.510 2.969 1.00 4.21 C ATOM 1572 C GLN A 100 13.860 -1.516 3.822 1.00 72.44 C ATOM 1573 O GLN A 100 15.083 -1.611 3.936 1.00 45.24 O ATOM 1574 CB GLN A 100 13.092 -2.076 1.498 1.00 51.32 C ATOM 1575 CG GLN A 100 14.458 -2.198 0.837 1.00 24.34 C ATOM 1576 CD GLN A 100 14.974 -3.627 0.822 1.00 55.30 C ATOM 1577 OE1 GLN A 100 14.198 -4.581 0.784 1.00 13.33 O ATOM 1578 NE2 GLN A 100 16.287 -3.784 0.839 1.00 41.54 N ATOM 0 H GLN A 100 11.013 -2.155 2.860 1.00 72.25 H new ATOM 0 HA GLN A 100 13.546 -3.489 3.048 1.00 4.21 H new ATOM 0 HB2 GLN A 100 12.375 -2.680 0.942 1.00 51.32 H new ATOM 0 HB3 GLN A 100 12.757 -1.041 1.430 1.00 51.32 H new ATOM 0 HG2 GLN A 100 14.397 -1.827 -0.186 1.00 24.34 H new ATOM 0 HG3 GLN A 100 15.171 -1.564 1.364 1.00 24.34 H new ATOM 0 HE21 GLN A 100 16.898 -2.968 0.871 1.00 41.54 H new ATOM 0 HE22 GLN A 100 16.689 -4.721 0.820 1.00 41.54 H new ATOM 1587 N GLY A 101 13.151 -0.574 4.433 1.00 5.41 N ATOM 1588 CA GLY A 101 13.793 0.356 5.341 1.00 71.13 C ATOM 1589 C GLY A 101 13.607 1.813 4.959 1.00 64.23 C ATOM 1590 O GLY A 101 14.411 2.663 5.341 1.00 1.24 O ATOM 0 H GLY A 101 12.147 -0.438 4.316 1.00 5.41 H new ATOM 0 HA2 GLY A 101 13.398 0.200 6.345 1.00 71.13 H new ATOM 0 HA3 GLY A 101 14.859 0.134 5.380 1.00 71.13 H new ATOM 1594 N TYR A 102 12.565 2.118 4.200 1.00 33.10 N ATOM 1595 CA TYR A 102 12.287 3.505 3.852 1.00 42.33 C ATOM 1596 C TYR A 102 11.150 4.063 4.687 1.00 0.42 C ATOM 1597 O TYR A 102 10.219 3.352 5.071 1.00 3.23 O ATOM 1598 CB TYR A 102 11.947 3.668 2.377 1.00 63.01 C ATOM 1599 CG TYR A 102 13.108 3.427 1.435 1.00 12.32 C ATOM 1600 CD1 TYR A 102 13.491 2.141 1.076 1.00 41.22 C ATOM 1601 CD2 TYR A 102 13.814 4.497 0.900 1.00 14.32 C ATOM 1602 CE1 TYR A 102 14.548 1.930 0.211 1.00 25.02 C ATOM 1603 CE2 TYR A 102 14.869 4.294 0.034 1.00 62.41 C ATOM 1604 CZ TYR A 102 15.233 3.010 -0.308 1.00 63.30 C ATOM 1605 OH TYR A 102 16.284 2.805 -1.173 1.00 24.13 O ATOM 0 H TYR A 102 11.908 1.438 3.818 1.00 33.10 H new ATOM 0 HA TYR A 102 13.200 4.062 4.062 1.00 42.33 H new ATOM 0 HB2 TYR A 102 11.141 2.979 2.124 1.00 63.01 H new ATOM 0 HB3 TYR A 102 11.566 4.676 2.214 1.00 63.01 H new ATOM 0 HD1 TYR A 102 12.955 1.294 1.479 1.00 41.22 H new ATOM 0 HD2 TYR A 102 13.532 5.505 1.166 1.00 14.32 H new ATOM 0 HE1 TYR A 102 14.837 0.925 -0.058 1.00 25.02 H new ATOM 0 HE2 TYR A 102 15.407 5.137 -0.374 1.00 62.41 H new ATOM 0 HH TYR A 102 16.656 3.669 -1.446 1.00 24.13 H new ATOM 1615 N GLN A 103 11.224 5.354 4.924 1.00 44.05 N ATOM 1616 CA GLN A 103 10.240 6.054 5.727 1.00 3.32 C ATOM 1617 C GLN A 103 9.946 7.421 5.127 1.00 42.30 C ATOM 1618 O GLN A 103 10.663 8.393 5.362 1.00 62.44 O ATOM 1619 CB GLN A 103 10.717 6.176 7.182 1.00 31.24 C ATOM 1620 CG GLN A 103 9.843 7.062 8.060 1.00 34.30 C ATOM 1621 CD GLN A 103 8.369 6.708 7.995 1.00 25.21 C ATOM 1622 OE1 GLN A 103 7.998 5.552 7.780 1.00 34.33 O ATOM 1623 NE2 GLN A 103 7.521 7.708 8.166 1.00 33.04 N ATOM 0 H GLN A 103 11.969 5.951 4.566 1.00 44.05 H new ATOM 0 HA GLN A 103 9.315 5.478 5.728 1.00 3.32 H new ATOM 0 HB2 GLN A 103 10.760 5.180 7.622 1.00 31.24 H new ATOM 0 HB3 GLN A 103 11.733 6.571 7.186 1.00 31.24 H new ATOM 0 HG2 GLN A 103 10.182 6.985 9.093 1.00 34.30 H new ATOM 0 HG3 GLN A 103 9.973 8.101 7.758 1.00 34.30 H new ATOM 0 HE21 GLN A 103 7.872 8.650 8.342 1.00 33.04 H new ATOM 0 HE22 GLN A 103 6.516 7.538 8.122 1.00 33.04 H new ATOM 1632 N LEU A 104 8.911 7.469 4.305 1.00 41.34 N ATOM 1633 CA LEU A 104 8.465 8.712 3.705 1.00 53.21 C ATOM 1634 C LEU A 104 7.201 9.194 4.403 1.00 52.44 C ATOM 1635 O LEU A 104 6.408 8.378 4.886 1.00 24.34 O ATOM 1636 CB LEU A 104 8.212 8.533 2.198 1.00 30.31 C ATOM 1637 CG LEU A 104 9.465 8.451 1.314 1.00 42.24 C ATOM 1638 CD1 LEU A 104 10.354 9.667 1.531 1.00 54.01 C ATOM 1639 CD2 LEU A 104 10.241 7.164 1.570 1.00 45.52 C ATOM 0 H LEU A 104 8.361 6.653 4.037 1.00 41.34 H new ATOM 0 HA LEU A 104 9.248 9.460 3.827 1.00 53.21 H new ATOM 0 HB2 LEU A 104 7.628 7.624 2.052 1.00 30.31 H new ATOM 0 HB3 LEU A 104 7.599 9.365 1.851 1.00 30.31 H new ATOM 0 HG LEU A 104 9.140 8.441 0.274 1.00 42.24 H new ATOM 0 HD11 LEU A 104 11.237 9.590 0.896 1.00 54.01 H new ATOM 0 HD12 LEU A 104 9.802 10.572 1.277 1.00 54.01 H new ATOM 0 HD13 LEU A 104 10.662 9.711 2.576 1.00 54.01 H new ATOM 0 HD21 LEU A 104 11.122 7.137 0.929 1.00 45.52 H new ATOM 0 HD22 LEU A 104 10.551 7.128 2.614 1.00 45.52 H new ATOM 0 HD23 LEU A 104 9.606 6.306 1.350 1.00 45.52 H new ATOM 1651 N PRO A 105 7.020 10.522 4.480 1.00 70.43 N ATOM 1652 CA PRO A 105 5.857 11.145 5.120 1.00 21.11 C ATOM 1653 C PRO A 105 4.614 11.119 4.239 1.00 31.13 C ATOM 1654 O PRO A 105 4.545 10.371 3.265 1.00 35.05 O ATOM 1655 CB PRO A 105 6.322 12.583 5.347 1.00 32.25 C ATOM 1656 CG PRO A 105 7.277 12.848 4.236 1.00 2.11 C ATOM 1657 CD PRO A 105 7.956 11.535 3.948 1.00 23.51 C ATOM 0 HA PRO A 105 5.561 10.621 6.029 1.00 21.11 H new ATOM 0 HB2 PRO A 105 5.484 13.279 5.324 1.00 32.25 H new ATOM 0 HB3 PRO A 105 6.803 12.696 6.319 1.00 32.25 H new ATOM 0 HG2 PRO A 105 6.755 13.219 3.354 1.00 2.11 H new ATOM 0 HG3 PRO A 105 8.004 13.609 4.520 1.00 2.11 H new ATOM 0 HD2 PRO A 105 8.125 11.399 2.880 1.00 23.51 H new ATOM 0 HD3 PRO A 105 8.929 11.474 4.435 1.00 23.51 H new ATOM 1665 N SER A 106 3.648 11.968 4.581 1.00 2.11 N ATOM 1666 CA SER A 106 2.351 12.018 3.915 1.00 3.13 C ATOM 1667 C SER A 106 2.451 12.610 2.514 1.00 21.12 C ATOM 1668 O SER A 106 1.444 12.900 1.864 1.00 25.43 O ATOM 1669 CB SER A 106 1.407 12.851 4.761 1.00 41.25 C ATOM 1670 OG SER A 106 1.981 14.114 5.064 1.00 34.23 O ATOM 0 H SER A 106 3.746 12.647 5.336 1.00 2.11 H new ATOM 0 HA SER A 106 1.976 11.000 3.808 1.00 3.13 H new ATOM 0 HB2 SER A 106 0.465 12.993 4.231 1.00 41.25 H new ATOM 0 HB3 SER A 106 1.176 12.321 5.685 1.00 41.25 H new ATOM 0 HG SER A 106 1.355 14.636 5.609 1.00 34.23 H new ATOM 1676 N ALA A 107 3.668 12.790 2.062 1.00 31.01 N ATOM 1677 CA ALA A 107 3.915 13.309 0.730 1.00 75.33 C ATOM 1678 C ALA A 107 4.308 12.193 -0.241 1.00 24.02 C ATOM 1679 O ALA A 107 5.474 11.800 -0.308 1.00 54.41 O ATOM 1680 CB ALA A 107 4.994 14.382 0.768 1.00 1.21 C ATOM 0 H ALA A 107 4.511 12.584 2.598 1.00 31.01 H new ATOM 0 HA ALA A 107 2.988 13.754 0.370 1.00 75.33 H new ATOM 0 HB1 ALA A 107 5.167 14.760 -0.240 1.00 1.21 H new ATOM 0 HB2 ALA A 107 4.671 15.200 1.412 1.00 1.21 H new ATOM 0 HB3 ALA A 107 5.918 13.955 1.159 1.00 1.21 H new ATOM 1686 N LEU A 108 3.328 11.662 -0.973 1.00 21.20 N ATOM 1687 CA LEU A 108 3.613 10.705 -2.038 1.00 33.24 C ATOM 1688 C LEU A 108 4.236 11.428 -3.230 1.00 64.32 C ATOM 1689 O LEU A 108 3.861 12.564 -3.536 1.00 44.50 O ATOM 1690 CB LEU A 108 2.340 9.976 -2.495 1.00 4.51 C ATOM 1691 CG LEU A 108 1.903 8.773 -1.648 1.00 14.50 C ATOM 1692 CD1 LEU A 108 0.739 8.059 -2.314 1.00 62.34 C ATOM 1693 CD2 LEU A 108 3.063 7.811 -1.435 1.00 25.24 C ATOM 0 H LEU A 108 2.339 11.877 -0.848 1.00 21.20 H new ATOM 0 HA LEU A 108 4.309 9.965 -1.644 1.00 33.24 H new ATOM 0 HB2 LEU A 108 1.522 10.696 -2.514 1.00 4.51 H new ATOM 0 HB3 LEU A 108 2.490 9.636 -3.520 1.00 4.51 H new ATOM 0 HG LEU A 108 1.581 9.138 -0.673 1.00 14.50 H new ATOM 0 HD11 LEU A 108 0.438 7.207 -1.704 1.00 62.34 H new ATOM 0 HD12 LEU A 108 -0.100 8.747 -2.416 1.00 62.34 H new ATOM 0 HD13 LEU A 108 1.043 7.709 -3.301 1.00 62.34 H new ATOM 0 HD21 LEU A 108 2.729 6.966 -0.832 1.00 25.24 H new ATOM 0 HD22 LEU A 108 3.418 7.450 -2.400 1.00 25.24 H new ATOM 0 HD23 LEU A 108 3.873 8.327 -0.920 1.00 25.24 H new ATOM 1705 N PRO A 109 5.190 10.785 -3.920 1.00 14.23 N ATOM 1706 CA PRO A 109 5.851 11.382 -5.079 1.00 32.20 C ATOM 1707 C PRO A 109 4.928 11.451 -6.294 1.00 54.14 C ATOM 1708 O PRO A 109 4.030 10.618 -6.457 1.00 71.10 O ATOM 1709 CB PRO A 109 7.030 10.431 -5.358 1.00 3.32 C ATOM 1710 CG PRO A 109 7.108 9.522 -4.174 1.00 52.01 C ATOM 1711 CD PRO A 109 5.718 9.450 -3.618 1.00 73.32 C ATOM 0 HA PRO A 109 6.156 12.411 -4.886 1.00 32.20 H new ATOM 0 HB2 PRO A 109 6.868 9.865 -6.275 1.00 3.32 H new ATOM 0 HB3 PRO A 109 7.959 10.987 -5.486 1.00 3.32 H new ATOM 0 HG2 PRO A 109 7.464 8.533 -4.464 1.00 52.01 H new ATOM 0 HG3 PRO A 109 7.806 9.908 -3.431 1.00 52.01 H new ATOM 0 HD2 PRO A 109 5.131 8.664 -4.092 1.00 73.32 H new ATOM 0 HD3 PRO A 109 5.719 9.246 -2.547 1.00 73.32 H new ATOM 1719 N PRO A 110 5.160 12.428 -7.183 1.00 12.30 N ATOM 1720 CA PRO A 110 4.334 12.632 -8.376 1.00 41.41 C ATOM 1721 C PRO A 110 4.479 11.500 -9.385 1.00 72.31 C ATOM 1722 O PRO A 110 3.594 11.272 -10.206 1.00 23.40 O ATOM 1723 CB PRO A 110 4.861 13.943 -8.973 1.00 30.23 C ATOM 1724 CG PRO A 110 5.683 14.569 -7.896 1.00 42.21 C ATOM 1725 CD PRO A 110 6.226 13.434 -7.083 1.00 13.24 C ATOM 0 HA PRO A 110 3.274 12.661 -8.125 1.00 41.41 H new ATOM 0 HB2 PRO A 110 5.459 13.756 -9.865 1.00 30.23 H new ATOM 0 HB3 PRO A 110 4.041 14.596 -9.271 1.00 30.23 H new ATOM 0 HG2 PRO A 110 6.490 15.168 -8.318 1.00 42.21 H new ATOM 0 HG3 PRO A 110 5.079 15.236 -7.281 1.00 42.21 H new ATOM 0 HD2 PRO A 110 7.170 13.065 -7.483 1.00 13.24 H new ATOM 0 HD3 PRO A 110 6.410 13.728 -6.050 1.00 13.24 H new ATOM 1733 N VAL A 111 5.592 10.783 -9.309 1.00 44.03 N ATOM 1734 CA VAL A 111 5.875 9.703 -10.249 1.00 43.11 C ATOM 1735 C VAL A 111 5.007 8.478 -9.964 1.00 23.04 C ATOM 1736 O VAL A 111 4.657 7.727 -10.875 1.00 60.24 O ATOM 1737 CB VAL A 111 7.370 9.302 -10.205 1.00 31.30 C ATOM 1738 CG1 VAL A 111 7.689 8.242 -11.247 1.00 30.12 C ATOM 1739 CG2 VAL A 111 8.253 10.523 -10.402 1.00 31.11 C ATOM 0 H VAL A 111 6.316 10.929 -8.605 1.00 44.03 H new ATOM 0 HA VAL A 111 5.639 10.075 -11.246 1.00 43.11 H new ATOM 0 HB VAL A 111 7.573 8.877 -9.222 1.00 31.30 H new ATOM 0 HG11 VAL A 111 8.746 7.982 -11.190 1.00 30.12 H new ATOM 0 HG12 VAL A 111 7.086 7.353 -11.058 1.00 30.12 H new ATOM 0 HG13 VAL A 111 7.463 8.629 -12.241 1.00 30.12 H new ATOM 0 HG21 VAL A 111 9.301 10.224 -10.368 1.00 31.11 H new ATOM 0 HG22 VAL A 111 8.036 10.977 -11.369 1.00 31.11 H new ATOM 0 HG23 VAL A 111 8.057 11.246 -9.610 1.00 31.11 H new ATOM 1749 N MET A 112 4.645 8.291 -8.703 1.00 0.20 N ATOM 1750 CA MET A 112 3.840 7.142 -8.312 1.00 73.10 C ATOM 1751 C MET A 112 2.364 7.394 -8.588 1.00 34.33 C ATOM 1752 O MET A 112 1.647 6.511 -9.058 1.00 44.21 O ATOM 1753 CB MET A 112 4.039 6.819 -6.833 1.00 2.43 C ATOM 1754 CG MET A 112 5.448 6.383 -6.485 1.00 61.22 C ATOM 1755 SD MET A 112 5.589 5.807 -4.786 1.00 61.50 S ATOM 1756 CE MET A 112 4.466 4.411 -4.802 1.00 20.12 C ATOM 0 H MET A 112 4.894 8.916 -7.936 1.00 0.20 H new ATOM 0 HA MET A 112 4.168 6.290 -8.907 1.00 73.10 H new ATOM 0 HB2 MET A 112 3.785 7.698 -6.241 1.00 2.43 H new ATOM 0 HB3 MET A 112 3.344 6.030 -6.546 1.00 2.43 H new ATOM 0 HG2 MET A 112 5.757 5.587 -7.162 1.00 61.22 H new ATOM 0 HG3 MET A 112 6.132 7.217 -6.641 1.00 61.22 H new ATOM 0 HE1 MET A 112 4.886 3.599 -4.208 1.00 20.12 H new ATOM 0 HE2 MET A 112 3.507 4.711 -4.380 1.00 20.12 H new ATOM 0 HE3 MET A 112 4.321 4.072 -5.828 1.00 20.12 H new ATOM 1766 N LYS A 113 1.915 8.603 -8.293 1.00 30.50 N ATOM 1767 CA LYS A 113 0.520 8.964 -8.501 1.00 74.24 C ATOM 1768 C LYS A 113 0.251 9.295 -9.963 1.00 62.53 C ATOM 1769 O LYS A 113 -0.872 9.136 -10.444 1.00 13.43 O ATOM 1770 CB LYS A 113 0.139 10.162 -7.626 1.00 64.15 C ATOM 1771 CG LYS A 113 1.019 11.381 -7.852 1.00 14.44 C ATOM 1772 CD LYS A 113 0.524 12.593 -7.080 1.00 14.00 C ATOM 1773 CE LYS A 113 -0.768 13.148 -7.664 1.00 21.10 C ATOM 1774 NZ LYS A 113 -0.579 13.680 -9.044 1.00 10.02 N ATOM 0 H LYS A 113 2.494 9.350 -7.910 1.00 30.50 H new ATOM 0 HA LYS A 113 -0.089 8.105 -8.220 1.00 74.24 H new ATOM 0 HB2 LYS A 113 -0.899 10.431 -7.824 1.00 64.15 H new ATOM 0 HB3 LYS A 113 0.199 9.870 -6.578 1.00 64.15 H new ATOM 0 HG2 LYS A 113 2.041 11.151 -7.550 1.00 14.44 H new ATOM 0 HG3 LYS A 113 1.047 11.616 -8.916 1.00 14.44 H new ATOM 0 HD2 LYS A 113 0.363 12.319 -6.037 1.00 14.00 H new ATOM 0 HD3 LYS A 113 1.290 13.368 -7.091 1.00 14.00 H new ATOM 0 HE2 LYS A 113 -1.524 12.363 -7.679 1.00 21.10 H new ATOM 0 HE3 LYS A 113 -1.145 13.942 -7.019 1.00 21.10 H new ATOM 0 HZ1 LYS A 113 -1.389 14.281 -9.298 1.00 10.02 H new ATOM 0 HZ2 LYS A 113 0.295 14.242 -9.083 1.00 10.02 H new ATOM 0 HZ3 LYS A 113 -0.512 12.888 -9.715 1.00 10.02 H new ATOM 1788 N GLN A 114 1.294 9.752 -10.659 1.00 70.03 N ATOM 1789 CA GLN A 114 1.166 10.273 -12.015 1.00 25.13 C ATOM 1790 C GLN A 114 0.125 11.390 -12.039 1.00 0.13 C ATOM 1791 O GLN A 114 -0.255 11.891 -10.975 1.00 61.52 O ATOM 1792 CB GLN A 114 0.805 9.157 -13.005 1.00 43.54 C ATOM 1793 CG GLN A 114 1.843 8.046 -13.073 1.00 11.42 C ATOM 1794 CD GLN A 114 1.544 7.030 -14.160 1.00 42.51 C ATOM 1795 OE1 GLN A 114 0.387 6.784 -14.499 1.00 11.14 O ATOM 1796 NE2 GLN A 114 2.585 6.429 -14.713 1.00 74.31 N ATOM 0 H GLN A 114 2.247 9.770 -10.297 1.00 70.03 H new ATOM 0 HA GLN A 114 2.127 10.682 -12.327 1.00 25.13 H new ATOM 0 HB2 GLN A 114 -0.156 8.728 -12.722 1.00 43.54 H new ATOM 0 HB3 GLN A 114 0.681 9.589 -13.998 1.00 43.54 H new ATOM 0 HG2 GLN A 114 2.826 8.483 -13.250 1.00 11.42 H new ATOM 0 HG3 GLN A 114 1.889 7.538 -12.110 1.00 11.42 H new ATOM 0 HE21 GLN A 114 3.530 6.660 -14.405 1.00 74.31 H new ATOM 0 HE22 GLN A 114 2.443 5.735 -15.447 1.00 74.31 H new ATOM 1805 N GLN A 115 -0.295 11.795 -13.240 1.00 51.21 N ATOM 1806 CA GLN A 115 -1.346 12.806 -13.447 1.00 31.01 C ATOM 1807 C GLN A 115 -1.040 14.136 -12.722 1.00 30.23 C ATOM 1808 O GLN A 115 -0.077 14.242 -11.959 1.00 30.43 O ATOM 1809 CB GLN A 115 -2.733 12.242 -13.051 1.00 24.22 C ATOM 1810 CG GLN A 115 -3.009 12.175 -11.555 1.00 63.23 C ATOM 1811 CD GLN A 115 -4.363 11.573 -11.237 1.00 64.42 C ATOM 1812 OE1 GLN A 115 -5.363 12.284 -11.146 1.00 51.44 O ATOM 1813 NE2 GLN A 115 -4.405 10.262 -11.060 1.00 64.53 N ATOM 0 H GLN A 115 0.088 11.427 -14.111 1.00 51.21 H new ATOM 0 HA GLN A 115 -1.366 13.040 -14.511 1.00 31.01 H new ATOM 0 HB2 GLN A 115 -3.503 12.856 -13.518 1.00 24.22 H new ATOM 0 HB3 GLN A 115 -2.830 11.239 -13.466 1.00 24.22 H new ATOM 0 HG2 GLN A 115 -2.231 11.584 -11.072 1.00 63.23 H new ATOM 0 HG3 GLN A 115 -2.954 13.179 -11.134 1.00 63.23 H new ATOM 0 HE21 GLN A 115 -3.552 9.708 -11.144 1.00 64.53 H new ATOM 0 HE22 GLN A 115 -5.290 9.805 -10.839 1.00 64.53 H new ATOM 1822 N PRO A 116 -1.826 15.196 -12.988 1.00 32.24 N ATOM 1823 CA PRO A 116 -1.662 16.491 -12.317 1.00 34.32 C ATOM 1824 C PRO A 116 -2.093 16.446 -10.850 1.00 72.43 C ATOM 1825 O PRO A 116 -2.391 15.376 -10.302 1.00 44.52 O ATOM 1826 CB PRO A 116 -2.572 17.440 -13.113 1.00 3.55 C ATOM 1827 CG PRO A 116 -2.947 16.695 -14.348 1.00 22.10 C ATOM 1828 CD PRO A 116 -2.908 15.244 -13.980 1.00 12.34 C ATOM 0 HA PRO A 116 -0.618 16.803 -12.300 1.00 34.32 H new ATOM 0 HB2 PRO A 116 -3.456 17.711 -12.536 1.00 3.55 H new ATOM 0 HB3 PRO A 116 -2.053 18.367 -13.357 1.00 3.55 H new ATOM 0 HG2 PRO A 116 -3.940 16.984 -14.692 1.00 22.10 H new ATOM 0 HG3 PRO A 116 -2.253 16.911 -15.160 1.00 22.10 H new ATOM 0 HD2 PRO A 116 -3.856 14.906 -13.563 1.00 12.34 H new ATOM 0 HD3 PRO A 116 -2.696 14.612 -14.843 1.00 12.34 H new ATOM 1836 N VAL A 117 -2.116 17.607 -10.212 1.00 54.20 N ATOM 1837 CA VAL A 117 -2.527 17.710 -8.821 1.00 32.41 C ATOM 1838 C VAL A 117 -3.597 18.782 -8.646 1.00 35.22 C ATOM 1839 O VAL A 117 -3.488 19.887 -9.181 1.00 4.51 O ATOM 1840 CB VAL A 117 -1.336 18.014 -7.877 1.00 60.15 C ATOM 1841 CG1 VAL A 117 -0.360 16.848 -7.842 1.00 34.34 C ATOM 1842 CG2 VAL A 117 -0.617 19.296 -8.281 1.00 42.01 C ATOM 0 H VAL A 117 -1.853 18.495 -10.639 1.00 54.20 H new ATOM 0 HA VAL A 117 -2.937 16.738 -8.548 1.00 32.41 H new ATOM 0 HB VAL A 117 -1.742 18.157 -6.876 1.00 60.15 H new ATOM 0 HG11 VAL A 117 0.467 17.086 -7.173 1.00 34.34 H new ATOM 0 HG12 VAL A 117 -0.872 15.955 -7.483 1.00 34.34 H new ATOM 0 HG13 VAL A 117 0.026 16.666 -8.845 1.00 34.34 H new ATOM 0 HG21 VAL A 117 0.212 19.479 -7.598 1.00 42.01 H new ATOM 0 HG22 VAL A 117 -0.235 19.194 -9.297 1.00 42.01 H new ATOM 0 HG23 VAL A 117 -1.314 20.133 -8.238 1.00 42.01 H new ATOM 1852 N ALA A 118 -4.650 18.441 -7.922 1.00 60.44 N ATOM 1853 CA ALA A 118 -5.691 19.405 -7.591 1.00 54.14 C ATOM 1854 C ALA A 118 -5.466 19.955 -6.189 1.00 44.55 C ATOM 1855 O ALA A 118 -6.087 20.935 -5.776 1.00 2.33 O ATOM 1856 CB ALA A 118 -7.064 18.761 -7.704 1.00 42.42 C ATOM 0 H ALA A 118 -4.808 17.504 -7.551 1.00 60.44 H new ATOM 0 HA ALA A 118 -5.645 20.233 -8.299 1.00 54.14 H new ATOM 0 HB1 ALA A 118 -7.831 19.494 -7.454 1.00 42.42 H new ATOM 0 HB2 ALA A 118 -7.218 18.409 -8.724 1.00 42.42 H new ATOM 0 HB3 ALA A 118 -7.128 17.918 -7.015 1.00 42.42 H new ATOM 1862 N ILE A 119 -4.564 19.306 -5.464 1.00 12.42 N ATOM 1863 CA ILE A 119 -4.232 19.701 -4.105 1.00 23.10 C ATOM 1864 C ILE A 119 -2.736 19.971 -3.999 1.00 42.10 C ATOM 1865 O ILE A 119 -1.923 19.123 -4.366 1.00 43.44 O ATOM 1866 CB ILE A 119 -4.618 18.602 -3.087 1.00 2.53 C ATOM 1867 CG1 ILE A 119 -6.092 18.208 -3.242 1.00 41.13 C ATOM 1868 CG2 ILE A 119 -4.348 19.081 -1.666 1.00 35.14 C ATOM 1869 CD1 ILE A 119 -6.503 17.027 -2.385 1.00 4.44 C ATOM 0 H ILE A 119 -4.045 18.495 -5.801 1.00 12.42 H new ATOM 0 HA ILE A 119 -4.797 20.604 -3.873 1.00 23.10 H new ATOM 0 HB ILE A 119 -4.006 17.722 -3.286 1.00 2.53 H new ATOM 0 HG12 ILE A 119 -6.716 19.065 -2.987 1.00 41.13 H new ATOM 0 HG13 ILE A 119 -6.287 17.971 -4.288 1.00 41.13 H new ATOM 0 HG21 ILE A 119 -4.624 18.298 -0.960 1.00 35.14 H new ATOM 0 HG22 ILE A 119 -3.289 19.313 -1.555 1.00 35.14 H new ATOM 0 HG23 ILE A 119 -4.938 19.975 -1.465 1.00 35.14 H new ATOM 0 HD11 ILE A 119 -7.558 16.808 -2.549 1.00 4.44 H new ATOM 0 HD12 ILE A 119 -5.906 16.156 -2.655 1.00 4.44 H new ATOM 0 HD13 ILE A 119 -6.341 17.266 -1.334 1.00 4.44 H new ATOM 1881 N SER A 120 -2.380 21.152 -3.522 1.00 73.42 N ATOM 1882 CA SER A 120 -0.982 21.504 -3.342 1.00 72.13 C ATOM 1883 C SER A 120 -0.400 20.782 -2.130 1.00 42.41 C ATOM 1884 O SER A 120 -0.767 21.064 -0.985 1.00 70.25 O ATOM 1885 CB SER A 120 -0.841 23.014 -3.177 1.00 75.45 C ATOM 1886 OG SER A 120 -1.394 23.698 -4.291 1.00 12.43 O ATOM 0 H SER A 120 -3.039 21.882 -3.253 1.00 73.42 H new ATOM 0 HA SER A 120 -0.427 21.192 -4.227 1.00 72.13 H new ATOM 0 HB2 SER A 120 -1.343 23.333 -2.263 1.00 75.45 H new ATOM 0 HB3 SER A 120 0.212 23.276 -3.070 1.00 75.45 H new ATOM 0 HG SER A 120 -1.294 24.665 -4.164 1.00 12.43 H new ATOM 1892 N SER A 121 0.477 19.830 -2.391 1.00 21.34 N ATOM 1893 CA SER A 121 1.116 19.057 -1.342 1.00 63.34 C ATOM 1894 C SER A 121 2.480 18.568 -1.816 1.00 13.12 C ATOM 1895 O SER A 121 3.503 19.141 -1.387 1.00 37.43 O ATOM 1896 CB SER A 121 0.234 17.868 -0.941 1.00 1.40 C ATOM 1897 OG SER A 121 -1.035 18.307 -0.478 1.00 32.00 O ATOM 1898 OXT SER A 121 2.522 17.638 -2.644 1.00 37.43 O ATOM 0 H SER A 121 0.766 19.571 -3.334 1.00 21.34 H new ATOM 0 HA SER A 121 1.253 19.694 -0.468 1.00 63.34 H new ATOM 0 HB2 SER A 121 0.103 17.204 -1.795 1.00 1.40 H new ATOM 0 HB3 SER A 121 0.730 17.290 -0.161 1.00 1.40 H new ATOM 0 HG SER A 121 -1.579 17.531 -0.230 1.00 32.00 H new TER 1904 SER A 121