USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 691 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 27 MET CE :methyl -165:sc= -0.0864 (180deg=-0.406) USER MOD Set 1.2: A 54 CYS SG : rot 130:sc= -0.268 USER MOD Set 2.1: A 6 HIS : no HD1:sc= 0.101 K(o=0.9,f=-3.1) USER MOD Set 2.2: A 9 SER OG : rot -65:sc= 0.797 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.136) USER MOD Single : A 3 HIS : no HD1:sc=-0.00546 X(o=-0.0055,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0937 K(o=-0.094,f=-0.63) USER MOD Single : A 5 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00981 X(o=-0.0098,f=-0.0098) USER MOD Single : A 8 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.325 K(o=0.32,f=-3.6!) USER MOD Single : A 12 ASN : amide:sc= -0.0654 K(o=-0.065,f=-7.9!) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 0.281 (180deg=0.21) USER MOD Single : A 23 HIS : no HD1:sc= -0.316 X(o=-0.32,f=0.058) USER MOD Single : A 24 SER OG : rot -89:sc= 0.804 USER MOD Single : A 26 LYS NZ :NH3+ 175:sc=-0.00302 (180deg=-0.098) USER MOD Single : A 28 ASN : amide:sc= -1.03 X(o=-1,f=-0.67) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.708 K(o=-0.71,f=-9.9!) USER MOD Single : A 37 LYS NZ :NH3+ -130:sc= -1.25 (180deg=-4.44!) USER MOD Single : A 42 MET CE :methyl 140:sc= -0.543 (180deg=-3.47!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.846 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 71:sc= 0.617 USER MOD Single : A 59 MET CE :methyl 150:sc= -0.869 (180deg=-2.58!) USER MOD Single : A 60 TYR OH : rot -118:sc= -0.245 USER MOD Single : A 68 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.25) USER MOD Single : A 70 THR OG1 : rot -45:sc= 0.919 USER MOD Single : A 71 GLN : amide:sc= -0.4 K(o=-0.4,f=-2.7!) USER MOD Single : A 76 MET CE :methyl -160:sc= -0.156 (180deg=-0.843) USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.13) USER MOD Single : A 82 MET CE :methyl -158:sc= -0.0856 (180deg=-0.723) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.822) USER MOD Single : A 86 SER OG : rot -173:sc= 0.0426 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.853 -31.782 8.937 1.00 2.25 N ATOM 2 CA MET A 1 2.889 -32.804 9.429 1.00 41.03 C ATOM 3 C MET A 1 1.442 -32.359 9.180 1.00 22.31 C ATOM 4 O MET A 1 1.138 -31.165 9.221 1.00 52.04 O ATOM 5 CB MET A 1 3.105 -33.059 10.927 1.00 31.24 C ATOM 6 CG MET A 1 4.504 -33.547 11.272 1.00 61.43 C ATOM 7 SD MET A 1 4.929 -35.076 10.417 1.00 23.04 S ATOM 8 CE MET A 1 6.567 -35.386 11.071 1.00 2.23 C ATOM 0 H1 MET A 1 4.816 -32.174 8.960 1.00 2.25 H new ATOM 0 H2 MET A 1 3.610 -31.517 7.961 1.00 2.25 H new ATOM 0 H3 MET A 1 3.807 -30.940 9.546 1.00 2.25 H new ATOM 0 HA MET A 1 3.065 -33.728 8.878 1.00 41.03 H new ATOM 0 HB2 MET A 1 2.906 -32.138 11.475 1.00 31.24 H new ATOM 0 HB3 MET A 1 2.379 -33.796 11.269 1.00 31.24 H new ATOM 0 HG2 MET A 1 5.229 -32.775 11.013 1.00 61.43 H new ATOM 0 HG3 MET A 1 4.576 -33.704 12.348 1.00 61.43 H new ATOM 0 HE1 MET A 1 6.965 -36.302 10.635 1.00 2.23 H new ATOM 0 HE2 MET A 1 7.222 -34.551 10.822 1.00 2.23 H new ATOM 0 HE3 MET A 1 6.512 -35.494 12.154 1.00 2.23 H new ATOM 20 N GLY A 2 0.555 -33.322 8.916 1.00 22.23 N ATOM 21 CA GLY A 2 -0.861 -33.019 8.692 1.00 12.24 C ATOM 22 C GLY A 2 -1.141 -32.366 7.339 1.00 2.40 C ATOM 23 O GLY A 2 -1.846 -32.930 6.497 1.00 71.32 O ATOM 0 H GLY A 2 0.790 -34.312 8.852 1.00 22.23 H new ATOM 0 HA2 GLY A 2 -1.437 -33.941 8.767 1.00 12.24 H new ATOM 0 HA3 GLY A 2 -1.212 -32.358 9.484 1.00 12.24 H new ATOM 27 N HIS A 3 -0.597 -31.166 7.139 1.00 65.11 N ATOM 28 CA HIS A 3 -0.777 -30.421 5.889 1.00 62.23 C ATOM 29 C HIS A 3 -0.193 -31.189 4.689 1.00 42.03 C ATOM 30 O HIS A 3 0.932 -31.685 4.740 1.00 65.13 O ATOM 31 CB HIS A 3 -0.127 -29.036 6.003 1.00 50.31 C ATOM 32 CG HIS A 3 -0.713 -28.181 7.091 1.00 54.43 C ATOM 33 ND1 HIS A 3 -1.719 -27.261 6.872 1.00 1.04 N ATOM 34 CD2 HIS A 3 -0.427 -28.103 8.415 1.00 44.42 C ATOM 35 CE1 HIS A 3 -2.021 -26.659 8.004 1.00 1.45 C ATOM 36 NE2 HIS A 3 -1.254 -27.151 8.954 1.00 32.14 N ATOM 0 H HIS A 3 -0.023 -30.684 7.831 1.00 65.11 H new ATOM 0 HA HIS A 3 -1.847 -30.301 5.719 1.00 62.23 H new ATOM 0 HB2 HIS A 3 0.941 -29.159 6.185 1.00 50.31 H new ATOM 0 HB3 HIS A 3 -0.230 -28.517 5.050 1.00 50.31 H new ATOM 0 HD2 HIS A 3 0.314 -28.683 8.946 1.00 44.42 H new ATOM 0 HE1 HIS A 3 -2.771 -25.892 8.131 1.00 1.45 H new ATOM 0 HE2 HIS A 3 -1.272 -26.869 9.934 1.00 32.14 H new ATOM 45 N HIS A 4 -0.967 -31.279 3.612 1.00 4.51 N ATOM 46 CA HIS A 4 -0.592 -32.086 2.444 1.00 61.13 C ATOM 47 C HIS A 4 0.503 -31.427 1.585 1.00 11.04 C ATOM 48 O HIS A 4 0.588 -30.200 1.483 1.00 14.12 O ATOM 49 CB HIS A 4 -1.839 -32.374 1.591 1.00 22.25 C ATOM 50 CG HIS A 4 -2.583 -31.141 1.168 1.00 63.41 C ATOM 51 ND1 HIS A 4 -3.634 -30.609 1.888 1.00 1.11 N ATOM 52 CD2 HIS A 4 -2.430 -30.337 0.088 1.00 5.31 C ATOM 53 CE1 HIS A 4 -4.090 -29.538 1.271 1.00 13.20 C ATOM 54 NE2 HIS A 4 -3.378 -29.350 0.180 1.00 2.24 N ATOM 0 H HIS A 4 -1.864 -30.802 3.519 1.00 4.51 H new ATOM 0 HA HIS A 4 -0.173 -33.020 2.819 1.00 61.13 H new ATOM 0 HB2 HIS A 4 -1.539 -32.929 0.702 1.00 22.25 H new ATOM 0 HB3 HIS A 4 -2.513 -33.018 2.156 1.00 22.25 H new ATOM 0 HD2 HIS A 4 -1.698 -30.452 -0.698 1.00 5.31 H new ATOM 0 HE1 HIS A 4 -4.910 -28.919 1.604 1.00 13.20 H new ATOM 0 HE2 HIS A 4 -3.510 -28.592 -0.490 1.00 2.24 H new ATOM 63 N HIS A 5 1.333 -32.267 0.968 1.00 74.32 N ATOM 64 CA HIS A 5 2.398 -31.817 0.061 1.00 60.24 C ATOM 65 C HIS A 5 1.846 -30.964 -1.097 1.00 51.23 C ATOM 66 O HIS A 5 1.316 -31.497 -2.074 1.00 51.44 O ATOM 67 CB HIS A 5 3.142 -33.045 -0.492 1.00 3.42 C ATOM 68 CG HIS A 5 4.200 -32.733 -1.513 1.00 55.35 C ATOM 69 ND1 HIS A 5 5.526 -32.542 -1.190 1.00 61.43 N ATOM 70 CD2 HIS A 5 4.125 -32.597 -2.862 1.00 53.51 C ATOM 71 CE1 HIS A 5 6.215 -32.303 -2.287 1.00 51.12 C ATOM 72 NE2 HIS A 5 5.392 -32.333 -3.315 1.00 3.35 N ATOM 0 H HIS A 5 1.289 -33.280 1.080 1.00 74.32 H new ATOM 0 HA HIS A 5 3.084 -31.187 0.626 1.00 60.24 H new ATOM 0 HB2 HIS A 5 3.605 -33.577 0.339 1.00 3.42 H new ATOM 0 HB3 HIS A 5 2.414 -33.723 -0.939 1.00 3.42 H new ATOM 0 HD2 HIS A 5 3.233 -32.681 -3.466 1.00 53.51 H new ATOM 0 HE1 HIS A 5 7.277 -32.114 -2.335 1.00 51.12 H new ATOM 0 HE2 HIS A 5 5.654 -32.184 -4.289 1.00 3.35 H new ATOM 81 N HIS A 6 1.962 -29.644 -0.981 1.00 51.21 N ATOM 82 CA HIS A 6 1.538 -28.739 -2.057 1.00 33.04 C ATOM 83 C HIS A 6 2.663 -28.531 -3.086 1.00 64.20 C ATOM 84 O HIS A 6 3.845 -28.552 -2.745 1.00 2.10 O ATOM 85 CB HIS A 6 1.074 -27.382 -1.487 1.00 22.34 C ATOM 86 CG HIS A 6 2.084 -26.679 -0.622 1.00 33.12 C ATOM 87 ND1 HIS A 6 1.820 -26.285 0.673 1.00 54.40 N ATOM 88 CD2 HIS A 6 3.349 -26.265 -0.881 1.00 14.14 C ATOM 89 CE1 HIS A 6 2.872 -25.665 1.170 1.00 73.35 C ATOM 90 NE2 HIS A 6 3.811 -25.643 0.249 1.00 62.23 N ATOM 0 H HIS A 6 2.343 -29.175 -0.160 1.00 51.21 H new ATOM 0 HA HIS A 6 0.694 -29.206 -2.565 1.00 33.04 H new ATOM 0 HB2 HIS A 6 0.810 -26.727 -2.317 1.00 22.34 H new ATOM 0 HB3 HIS A 6 0.166 -27.540 -0.905 1.00 22.34 H new ATOM 0 HD2 HIS A 6 3.891 -26.400 -1.805 1.00 14.14 H new ATOM 0 HE1 HIS A 6 2.950 -25.247 2.163 1.00 73.35 H new ATOM 0 HE2 HIS A 6 4.737 -25.229 0.359 1.00 62.23 H new ATOM 99 N HIS A 7 2.286 -28.341 -4.346 1.00 33.13 N ATOM 100 CA HIS A 7 3.253 -28.109 -5.427 1.00 53.23 C ATOM 101 C HIS A 7 3.375 -26.610 -5.759 1.00 44.14 C ATOM 102 O HIS A 7 4.336 -26.183 -6.402 1.00 21.42 O ATOM 103 CB HIS A 7 2.832 -28.906 -6.673 1.00 1.42 C ATOM 104 CG HIS A 7 3.807 -28.834 -7.814 1.00 13.10 C ATOM 105 ND1 HIS A 7 4.968 -29.578 -7.864 1.00 3.42 N ATOM 106 CD2 HIS A 7 3.785 -28.108 -8.958 1.00 24.52 C ATOM 107 CE1 HIS A 7 5.615 -29.308 -8.978 1.00 71.53 C ATOM 108 NE2 HIS A 7 4.921 -28.424 -9.658 1.00 35.30 N ATOM 0 H HIS A 7 1.313 -28.342 -4.651 1.00 33.13 H new ATOM 0 HA HIS A 7 4.233 -28.450 -5.094 1.00 53.23 H new ATOM 0 HB2 HIS A 7 2.696 -29.950 -6.393 1.00 1.42 H new ATOM 0 HB3 HIS A 7 1.864 -28.539 -7.014 1.00 1.42 H new ATOM 0 HD2 HIS A 7 3.017 -27.412 -9.261 1.00 24.52 H new ATOM 0 HE1 HIS A 7 6.557 -29.740 -9.282 1.00 71.53 H new ATOM 0 HE2 HIS A 7 5.185 -28.035 -10.563 1.00 35.30 H new ATOM 117 N HIS A 8 2.395 -25.820 -5.318 1.00 33.45 N ATOM 118 CA HIS A 8 2.389 -24.370 -5.559 1.00 73.34 C ATOM 119 C HIS A 8 2.061 -23.596 -4.266 1.00 63.45 C ATOM 120 O HIS A 8 0.914 -23.571 -3.822 1.00 61.35 O ATOM 121 CB HIS A 8 1.371 -24.030 -6.662 1.00 71.45 C ATOM 122 CG HIS A 8 1.341 -22.578 -7.056 1.00 74.51 C ATOM 123 ND1 HIS A 8 2.006 -22.082 -8.157 1.00 23.41 N ATOM 124 CD2 HIS A 8 0.709 -21.514 -6.499 1.00 61.42 C ATOM 125 CE1 HIS A 8 1.784 -20.788 -8.263 1.00 61.34 C ATOM 126 NE2 HIS A 8 1.000 -20.417 -7.272 1.00 43.53 N ATOM 0 H HIS A 8 1.591 -26.158 -4.790 1.00 33.45 H new ATOM 0 HA HIS A 8 3.384 -24.068 -5.886 1.00 73.34 H new ATOM 0 HB2 HIS A 8 1.597 -24.628 -7.545 1.00 71.45 H new ATOM 0 HB3 HIS A 8 0.377 -24.323 -6.324 1.00 71.45 H new ATOM 0 HD2 HIS A 8 0.092 -21.528 -5.613 1.00 61.42 H new ATOM 0 HE1 HIS A 8 2.178 -20.141 -9.032 1.00 61.34 H new ATOM 0 HE2 HIS A 8 0.664 -19.469 -7.106 1.00 43.53 H new ATOM 135 N SER A 9 3.075 -22.978 -3.663 1.00 3.22 N ATOM 136 CA SER A 9 2.884 -22.183 -2.436 1.00 20.15 C ATOM 137 C SER A 9 2.437 -20.747 -2.755 1.00 75.42 C ATOM 138 O SER A 9 2.559 -20.283 -3.890 1.00 13.25 O ATOM 139 CB SER A 9 4.180 -22.139 -1.609 1.00 62.43 C ATOM 140 OG SER A 9 4.567 -23.432 -1.162 1.00 35.23 O ATOM 0 H SER A 9 4.038 -23.008 -3.998 1.00 3.22 H new ATOM 0 HA SER A 9 2.099 -22.671 -1.858 1.00 20.15 H new ATOM 0 HB2 SER A 9 4.980 -21.708 -2.211 1.00 62.43 H new ATOM 0 HB3 SER A 9 4.040 -21.484 -0.749 1.00 62.43 H new ATOM 0 HG SER A 9 3.898 -23.774 -0.533 1.00 35.23 H new ATOM 146 N HIS A 10 1.931 -20.041 -1.744 1.00 74.04 N ATOM 147 CA HIS A 10 1.487 -18.647 -1.908 1.00 52.41 C ATOM 148 C HIS A 10 2.234 -17.709 -0.943 1.00 15.23 C ATOM 149 O HIS A 10 2.693 -18.144 0.115 1.00 52.20 O ATOM 150 CB HIS A 10 -0.028 -18.530 -1.668 1.00 73.41 C ATOM 151 CG HIS A 10 -0.439 -18.818 -0.254 1.00 31.32 C ATOM 152 ND1 HIS A 10 -0.235 -17.931 0.785 1.00 3.24 N ATOM 153 CD2 HIS A 10 -1.037 -19.901 0.297 1.00 71.52 C ATOM 154 CE1 HIS A 10 -0.683 -18.457 1.906 1.00 2.20 C ATOM 155 NE2 HIS A 10 -1.175 -19.647 1.638 1.00 54.21 N ATOM 0 H HIS A 10 1.816 -20.408 -0.799 1.00 74.04 H new ATOM 0 HA HIS A 10 1.713 -18.348 -2.931 1.00 52.41 H new ATOM 0 HB2 HIS A 10 -0.352 -17.524 -1.933 1.00 73.41 H new ATOM 0 HB3 HIS A 10 -0.547 -19.218 -2.335 1.00 73.41 H new ATOM 0 HD1 HIS A 10 0.196 -17.011 0.697 1.00 3.24 H new ATOM 0 HD2 HIS A 10 -1.347 -20.796 -0.222 1.00 71.52 H new ATOM 0 HE1 HIS A 10 -0.652 -17.991 2.880 1.00 2.20 H new ATOM 164 N PRO A 11 2.353 -16.410 -1.284 1.00 53.44 N ATOM 165 CA PRO A 11 2.989 -15.412 -0.401 1.00 31.31 C ATOM 166 C PRO A 11 2.330 -15.326 0.988 1.00 11.33 C ATOM 167 O PRO A 11 1.099 -15.351 1.112 1.00 74.54 O ATOM 168 CB PRO A 11 2.807 -14.088 -1.164 1.00 62.20 C ATOM 169 CG PRO A 11 2.630 -14.490 -2.588 1.00 32.32 C ATOM 170 CD PRO A 11 1.905 -15.809 -2.557 1.00 40.50 C ATOM 0 HA PRO A 11 4.029 -15.668 -0.197 1.00 31.31 H new ATOM 0 HB2 PRO A 11 1.941 -13.537 -0.798 1.00 62.20 H new ATOM 0 HB3 PRO A 11 3.674 -13.438 -1.041 1.00 62.20 H new ATOM 0 HG2 PRO A 11 2.057 -13.742 -3.137 1.00 32.32 H new ATOM 0 HG3 PRO A 11 3.593 -14.585 -3.090 1.00 32.32 H new ATOM 0 HD2 PRO A 11 0.824 -15.675 -2.580 1.00 40.50 H new ATOM 0 HD3 PRO A 11 2.167 -16.433 -3.411 1.00 40.50 H new ATOM 178 N ASN A 12 3.155 -15.240 2.031 1.00 23.43 N ATOM 179 CA ASN A 12 2.665 -15.094 3.407 1.00 22.34 C ATOM 180 C ASN A 12 2.683 -13.619 3.846 1.00 31.12 C ATOM 181 O ASN A 12 3.060 -12.734 3.073 1.00 43.12 O ATOM 182 CB ASN A 12 3.519 -15.936 4.367 1.00 60.52 C ATOM 183 CG ASN A 12 4.990 -15.554 4.332 1.00 52.22 C ATOM 184 OD1 ASN A 12 5.516 -15.154 3.301 1.00 60.23 O ATOM 185 ND2 ASN A 12 5.666 -15.672 5.454 1.00 63.31 N ATOM 0 H ASN A 12 4.171 -15.269 1.951 1.00 23.43 H new ATOM 0 HA ASN A 12 1.635 -15.449 3.438 1.00 22.34 H new ATOM 0 HB2 ASN A 12 3.141 -15.817 5.382 1.00 60.52 H new ATOM 0 HB3 ASN A 12 3.415 -16.990 4.110 1.00 60.52 H new ATOM 0 HD21 ASN A 12 6.656 -15.427 5.481 1.00 63.31 H new ATOM 0 HD22 ASN A 12 5.200 -16.008 6.297 1.00 63.31 H new ATOM 192 N GLU A 13 2.272 -13.365 5.089 1.00 11.32 N ATOM 193 CA GLU A 13 2.285 -12.009 5.663 1.00 41.22 C ATOM 194 C GLU A 13 3.640 -11.314 5.457 1.00 64.24 C ATOM 195 O GLU A 13 3.714 -10.223 4.893 1.00 25.43 O ATOM 196 CB GLU A 13 1.970 -12.072 7.165 1.00 52.24 C ATOM 197 CG GLU A 13 1.961 -10.709 7.854 1.00 3.13 C ATOM 198 CD GLU A 13 1.841 -10.825 9.364 1.00 33.24 C ATOM 199 OE1 GLU A 13 0.754 -11.200 9.847 1.00 12.54 O ATOM 200 OE2 GLU A 13 2.840 -10.571 10.068 1.00 53.40 O ATOM 0 H GLU A 13 1.923 -14.082 5.725 1.00 11.32 H new ATOM 0 HA GLU A 13 1.523 -11.427 5.145 1.00 41.22 H new ATOM 0 HB2 GLU A 13 0.997 -12.544 7.303 1.00 52.24 H new ATOM 0 HB3 GLU A 13 2.706 -12.710 7.654 1.00 52.24 H new ATOM 0 HG2 GLU A 13 2.877 -10.173 7.605 1.00 3.13 H new ATOM 0 HG3 GLU A 13 1.130 -10.116 7.471 1.00 3.13 H new ATOM 207 N GLU A 14 4.703 -11.970 5.906 1.00 24.05 N ATOM 208 CA GLU A 14 6.057 -11.414 5.838 1.00 51.41 C ATOM 209 C GLU A 14 6.507 -11.157 4.388 1.00 41.31 C ATOM 210 O GLU A 14 7.239 -10.204 4.120 1.00 34.50 O ATOM 211 CB GLU A 14 7.028 -12.362 6.556 1.00 70.21 C ATOM 212 CG GLU A 14 6.684 -12.563 8.033 1.00 44.41 C ATOM 213 CD GLU A 14 7.539 -13.617 8.717 1.00 2.52 C ATOM 214 OE1 GLU A 14 8.630 -13.271 9.218 1.00 13.32 O ATOM 215 OE2 GLU A 14 7.112 -14.794 8.766 1.00 54.02 O ATOM 0 H GLU A 14 4.656 -12.898 6.326 1.00 24.05 H new ATOM 0 HA GLU A 14 6.056 -10.445 6.337 1.00 51.41 H new ATOM 0 HB2 GLU A 14 7.022 -13.329 6.052 1.00 70.21 H new ATOM 0 HB3 GLU A 14 8.040 -11.966 6.475 1.00 70.21 H new ATOM 0 HG2 GLU A 14 6.802 -11.615 8.557 1.00 44.41 H new ATOM 0 HG3 GLU A 14 5.635 -12.846 8.118 1.00 44.41 H new ATOM 222 N ALA A 15 6.056 -11.997 3.453 1.00 11.11 N ATOM 223 CA ALA A 15 6.402 -11.826 2.037 1.00 14.54 C ATOM 224 C ALA A 15 5.714 -10.595 1.428 1.00 34.44 C ATOM 225 O ALA A 15 6.370 -9.751 0.814 1.00 52.15 O ATOM 226 CB ALA A 15 6.040 -13.073 1.240 1.00 23.23 C ATOM 0 H ALA A 15 5.454 -12.797 3.647 1.00 11.11 H new ATOM 0 HA ALA A 15 7.479 -11.670 1.984 1.00 14.54 H new ATOM 0 HB1 ALA A 15 6.305 -12.925 0.193 1.00 23.23 H new ATOM 0 HB2 ALA A 15 6.587 -13.929 1.635 1.00 23.23 H new ATOM 0 HB3 ALA A 15 4.969 -13.258 1.321 1.00 23.23 H new ATOM 232 N ARG A 16 4.393 -10.486 1.618 1.00 20.24 N ATOM 233 CA ARG A 16 3.623 -9.359 1.068 1.00 72.23 C ATOM 234 C ARG A 16 3.982 -8.034 1.764 1.00 65.00 C ATOM 235 O ARG A 16 3.978 -6.974 1.139 1.00 15.55 O ATOM 236 CB ARG A 16 2.110 -9.645 1.135 1.00 51.15 C ATOM 237 CG ARG A 16 1.569 -9.962 2.527 1.00 60.24 C ATOM 238 CD ARG A 16 0.135 -10.492 2.465 1.00 35.44 C ATOM 239 NE ARG A 16 -0.402 -10.805 3.790 1.00 1.42 N ATOM 240 CZ ARG A 16 -0.812 -11.990 4.162 1.00 53.24 C ATOM 241 NH1 ARG A 16 -0.713 -13.008 3.362 1.00 53.23 N ATOM 242 NH2 ARG A 16 -1.312 -12.160 5.342 1.00 64.22 N ATOM 0 H ARG A 16 3.836 -11.159 2.145 1.00 20.24 H new ATOM 0 HA ARG A 16 3.895 -9.250 0.018 1.00 72.23 H new ATOM 0 HB2 ARG A 16 1.575 -8.780 0.743 1.00 51.15 H new ATOM 0 HB3 ARG A 16 1.886 -10.484 0.476 1.00 51.15 H new ATOM 0 HG2 ARG A 16 2.210 -10.701 3.008 1.00 60.24 H new ATOM 0 HG3 ARG A 16 1.599 -9.064 3.143 1.00 60.24 H new ATOM 0 HD2 ARG A 16 -0.503 -9.751 1.983 1.00 35.44 H new ATOM 0 HD3 ARG A 16 0.108 -11.388 1.844 1.00 35.44 H new ATOM 0 HE ARG A 16 -0.461 -10.047 4.470 1.00 1.42 H new ATOM 0 HH11 ARG A 16 -0.312 -12.889 2.432 1.00 53.23 H new ATOM 0 HH12 ARG A 16 -1.036 -13.927 3.664 1.00 53.23 H new ATOM 0 HH21 ARG A 16 -1.387 -11.370 5.983 1.00 64.22 H new ATOM 0 HH22 ARG A 16 -1.632 -13.084 5.632 1.00 64.22 H new ATOM 256 N LEU A 17 4.300 -8.108 3.056 1.00 72.14 N ATOM 257 CA LEU A 17 4.840 -6.956 3.793 1.00 53.40 C ATOM 258 C LEU A 17 6.126 -6.436 3.134 1.00 54.02 C ATOM 259 O LEU A 17 6.276 -5.239 2.878 1.00 22.44 O ATOM 260 CB LEU A 17 5.139 -7.348 5.250 1.00 53.35 C ATOM 261 CG LEU A 17 6.004 -6.343 6.041 1.00 30.14 C ATOM 262 CD1 LEU A 17 5.265 -5.026 6.255 1.00 2.04 C ATOM 263 CD2 LEU A 17 6.454 -6.936 7.374 1.00 71.34 C ATOM 0 H LEU A 17 4.194 -8.953 3.618 1.00 72.14 H new ATOM 0 HA LEU A 17 4.090 -6.166 3.774 1.00 53.40 H new ATOM 0 HB2 LEU A 17 4.193 -7.479 5.775 1.00 53.35 H new ATOM 0 HB3 LEU A 17 5.642 -8.315 5.253 1.00 53.35 H new ATOM 0 HG LEU A 17 6.894 -6.134 5.447 1.00 30.14 H new ATOM 0 HD11 LEU A 17 5.900 -4.339 6.815 1.00 2.04 H new ATOM 0 HD12 LEU A 17 5.018 -4.586 5.289 1.00 2.04 H new ATOM 0 HD13 LEU A 17 4.348 -5.210 6.815 1.00 2.04 H new ATOM 0 HD21 LEU A 17 7.061 -6.207 7.910 1.00 71.34 H new ATOM 0 HD22 LEU A 17 5.579 -7.190 7.973 1.00 71.34 H new ATOM 0 HD23 LEU A 17 7.043 -7.835 7.192 1.00 71.34 H new ATOM 275 N ASP A 18 7.050 -7.353 2.866 1.00 22.34 N ATOM 276 CA ASP A 18 8.347 -7.014 2.286 1.00 40.43 C ATOM 277 C ASP A 18 8.201 -6.276 0.941 1.00 23.41 C ATOM 278 O ASP A 18 8.896 -5.294 0.682 1.00 74.21 O ATOM 279 CB ASP A 18 9.175 -8.289 2.124 1.00 21.12 C ATOM 280 CG ASP A 18 10.606 -8.002 1.730 1.00 4.25 C ATOM 281 OD1 ASP A 18 11.393 -7.591 2.613 1.00 21.44 O ATOM 282 OD2 ASP A 18 10.949 -8.192 0.546 1.00 45.54 O ATOM 0 H ASP A 18 6.923 -8.349 3.044 1.00 22.34 H new ATOM 0 HA ASP A 18 8.860 -6.331 2.963 1.00 40.43 H new ATOM 0 HB2 ASP A 18 9.164 -8.847 3.060 1.00 21.12 H new ATOM 0 HB3 ASP A 18 8.714 -8.925 1.368 1.00 21.12 H new ATOM 287 N ILE A 19 7.279 -6.742 0.103 1.00 33.22 N ATOM 288 CA ILE A 19 7.010 -6.110 -1.197 1.00 71.10 C ATOM 289 C ILE A 19 6.624 -4.628 -1.028 1.00 72.10 C ATOM 290 O ILE A 19 7.089 -3.756 -1.771 1.00 53.14 O ATOM 291 CB ILE A 19 5.869 -6.850 -1.937 1.00 73.35 C ATOM 292 CG1 ILE A 19 6.155 -8.359 -1.990 1.00 74.12 C ATOM 293 CG2 ILE A 19 5.679 -6.288 -3.348 1.00 52.25 C ATOM 294 CD1 ILE A 19 4.969 -9.180 -2.446 1.00 64.43 C ATOM 0 H ILE A 19 6.700 -7.559 0.297 1.00 33.22 H new ATOM 0 HA ILE A 19 7.926 -6.172 -1.784 1.00 71.10 H new ATOM 0 HB ILE A 19 4.944 -6.692 -1.383 1.00 73.35 H new ATOM 0 HG12 ILE A 19 6.993 -8.539 -2.664 1.00 74.12 H new ATOM 0 HG13 ILE A 19 6.463 -8.698 -1.001 1.00 74.12 H new ATOM 0 HG21 ILE A 19 4.872 -6.824 -3.848 1.00 52.25 H new ATOM 0 HG22 ILE A 19 5.428 -5.229 -3.287 1.00 52.25 H new ATOM 0 HG23 ILE A 19 6.602 -6.410 -3.916 1.00 52.25 H new ATOM 0 HD11 ILE A 19 5.241 -10.235 -2.460 1.00 64.43 H new ATOM 0 HD12 ILE A 19 4.136 -9.029 -1.759 1.00 64.43 H new ATOM 0 HD13 ILE A 19 4.674 -8.868 -3.448 1.00 64.43 H new ATOM 306 N LEU A 20 5.764 -4.361 -0.046 1.00 61.20 N ATOM 307 CA LEU A 20 5.380 -2.989 0.316 1.00 2.44 C ATOM 308 C LEU A 20 6.614 -2.155 0.686 1.00 20.03 C ATOM 309 O LEU A 20 6.783 -1.027 0.219 1.00 35.43 O ATOM 310 CB LEU A 20 4.391 -3.023 1.493 1.00 33.10 C ATOM 311 CG LEU A 20 3.023 -3.651 1.176 1.00 20.21 C ATOM 312 CD1 LEU A 20 2.302 -4.073 2.453 1.00 0.54 C ATOM 313 CD2 LEU A 20 2.162 -2.683 0.369 1.00 12.02 C ATOM 0 H LEU A 20 5.314 -5.081 0.520 1.00 61.20 H new ATOM 0 HA LEU A 20 4.902 -2.522 -0.545 1.00 2.44 H new ATOM 0 HB2 LEU A 20 4.846 -3.576 2.314 1.00 33.10 H new ATOM 0 HB3 LEU A 20 4.233 -2.003 1.845 1.00 33.10 H new ATOM 0 HG LEU A 20 3.195 -4.545 0.576 1.00 20.21 H new ATOM 0 HD11 LEU A 20 1.338 -4.513 2.198 1.00 0.54 H new ATOM 0 HD12 LEU A 20 2.906 -4.807 2.987 1.00 0.54 H new ATOM 0 HD13 LEU A 20 2.146 -3.201 3.088 1.00 0.54 H new ATOM 0 HD21 LEU A 20 1.198 -3.145 0.155 1.00 12.02 H new ATOM 0 HD22 LEU A 20 2.007 -1.769 0.943 1.00 12.02 H new ATOM 0 HD23 LEU A 20 2.665 -2.442 -0.567 1.00 12.02 H new ATOM 325 N LYS A 21 7.476 -2.732 1.520 1.00 72.05 N ATOM 326 CA LYS A 21 8.741 -2.099 1.916 1.00 40.12 C ATOM 327 C LYS A 21 9.618 -1.767 0.690 1.00 22.34 C ATOM 328 O LYS A 21 10.307 -0.749 0.657 1.00 34.44 O ATOM 329 CB LYS A 21 9.504 -3.038 2.862 1.00 1.52 C ATOM 330 CG LYS A 21 8.759 -3.366 4.158 1.00 35.23 C ATOM 331 CD LYS A 21 9.257 -4.665 4.793 1.00 60.42 C ATOM 332 CE LYS A 21 10.756 -4.641 5.057 1.00 74.33 C ATOM 333 NZ LYS A 21 11.300 -5.999 5.327 1.00 53.11 N ATOM 0 H LYS A 21 7.322 -3.648 1.941 1.00 72.05 H new ATOM 0 HA LYS A 21 8.510 -1.162 2.423 1.00 40.12 H new ATOM 0 HB2 LYS A 21 9.721 -3.968 2.336 1.00 1.52 H new ATOM 0 HB3 LYS A 21 10.462 -2.583 3.112 1.00 1.52 H new ATOM 0 HG2 LYS A 21 8.884 -2.546 4.865 1.00 35.23 H new ATOM 0 HG3 LYS A 21 7.692 -3.449 3.951 1.00 35.23 H new ATOM 0 HD2 LYS A 21 8.728 -4.835 5.731 1.00 60.42 H new ATOM 0 HD3 LYS A 21 9.019 -5.502 4.137 1.00 60.42 H new ATOM 0 HE2 LYS A 21 11.268 -4.211 4.196 1.00 74.33 H new ATOM 0 HE3 LYS A 21 10.963 -3.992 5.908 1.00 74.33 H new ATOM 0 HZ1 LYS A 21 12.262 -5.917 5.714 1.00 53.11 H new ATOM 0 HZ2 LYS A 21 10.691 -6.487 6.014 1.00 53.11 H new ATOM 0 HZ3 LYS A 21 11.328 -6.544 4.442 1.00 53.11 H new ATOM 347 N ILE A 22 9.585 -2.642 -0.316 1.00 11.00 N ATOM 348 CA ILE A 22 10.380 -2.457 -1.539 1.00 20.51 C ATOM 349 C ILE A 22 9.878 -1.280 -2.398 1.00 71.00 C ATOM 350 O ILE A 22 10.632 -0.351 -2.689 1.00 54.42 O ATOM 351 CB ILE A 22 10.393 -3.750 -2.400 1.00 0.35 C ATOM 352 CG1 ILE A 22 11.060 -4.898 -1.626 1.00 61.31 C ATOM 353 CG2 ILE A 22 11.100 -3.513 -3.738 1.00 3.40 C ATOM 354 CD1 ILE A 22 11.064 -6.219 -2.367 1.00 35.02 C ATOM 0 H ILE A 22 9.016 -3.489 -0.311 1.00 11.00 H new ATOM 0 HA ILE A 22 11.393 -2.227 -1.209 1.00 20.51 H new ATOM 0 HB ILE A 22 9.361 -4.029 -2.614 1.00 0.35 H new ATOM 0 HG12 ILE A 22 12.088 -4.619 -1.396 1.00 61.31 H new ATOM 0 HG13 ILE A 22 10.545 -5.028 -0.674 1.00 61.31 H new ATOM 0 HG21 ILE A 22 11.095 -4.434 -4.321 1.00 3.40 H new ATOM 0 HG22 ILE A 22 10.580 -2.731 -4.291 1.00 3.40 H new ATOM 0 HG23 ILE A 22 12.130 -3.205 -3.556 1.00 3.40 H new ATOM 0 HD11 ILE A 22 11.552 -6.978 -1.755 1.00 35.02 H new ATOM 0 HD12 ILE A 22 10.038 -6.524 -2.573 1.00 35.02 H new ATOM 0 HD13 ILE A 22 11.605 -6.107 -3.307 1.00 35.02 H new ATOM 366 N HIS A 23 8.604 -1.317 -2.792 1.00 22.05 N ATOM 367 CA HIS A 23 8.047 -0.304 -3.708 1.00 43.52 C ATOM 368 C HIS A 23 7.897 1.074 -3.038 1.00 74.24 C ATOM 369 O HIS A 23 8.021 2.107 -3.699 1.00 3.21 O ATOM 370 CB HIS A 23 6.696 -0.770 -4.275 1.00 44.20 C ATOM 371 CG HIS A 23 6.805 -1.949 -5.198 1.00 64.12 C ATOM 372 ND1 HIS A 23 6.892 -1.830 -6.570 1.00 63.52 N ATOM 373 CD2 HIS A 23 6.844 -3.278 -4.941 1.00 43.35 C ATOM 374 CE1 HIS A 23 6.977 -3.026 -7.111 1.00 41.45 C ATOM 375 NE2 HIS A 23 6.954 -3.925 -6.148 1.00 61.05 N ATOM 0 H HIS A 23 7.937 -2.030 -2.497 1.00 22.05 H new ATOM 0 HA HIS A 23 8.759 -0.191 -4.526 1.00 43.52 H new ATOM 0 HB2 HIS A 23 6.034 -1.027 -3.448 1.00 44.20 H new ATOM 0 HB3 HIS A 23 6.231 0.058 -4.810 1.00 44.20 H new ATOM 0 HD2 HIS A 23 6.797 -3.743 -3.967 1.00 43.35 H new ATOM 0 HE1 HIS A 23 7.053 -3.236 -8.168 1.00 41.45 H new ATOM 0 HE2 HIS A 23 7.009 -4.935 -6.277 1.00 61.05 H new ATOM 384 N SER A 24 7.654 1.086 -1.727 1.00 44.01 N ATOM 385 CA SER A 24 7.466 2.345 -0.982 1.00 42.13 C ATOM 386 C SER A 24 8.749 3.187 -0.937 1.00 44.34 C ATOM 387 O SER A 24 8.700 4.395 -0.699 1.00 31.13 O ATOM 388 CB SER A 24 7.003 2.059 0.450 1.00 12.21 C ATOM 389 OG SER A 24 7.975 1.314 1.164 1.00 12.44 O ATOM 0 H SER A 24 7.582 0.245 -1.155 1.00 44.01 H new ATOM 0 HA SER A 24 6.702 2.913 -1.512 1.00 42.13 H new ATOM 0 HB2 SER A 24 6.810 2.999 0.967 1.00 12.21 H new ATOM 0 HB3 SER A 24 6.063 1.508 0.428 1.00 12.21 H new ATOM 0 HG SER A 24 7.818 0.356 1.028 1.00 12.44 H new ATOM 395 N ARG A 25 9.896 2.549 -1.170 1.00 50.34 N ATOM 396 CA ARG A 25 11.190 3.246 -1.173 1.00 11.00 C ATOM 397 C ARG A 25 11.283 4.316 -2.281 1.00 61.30 C ATOM 398 O ARG A 25 12.174 5.167 -2.253 1.00 23.50 O ATOM 399 CB ARG A 25 12.335 2.230 -1.314 1.00 2.41 C ATOM 400 CG ARG A 25 12.613 1.437 -0.039 1.00 74.22 C ATOM 401 CD ARG A 25 13.754 0.438 -0.223 1.00 53.45 C ATOM 402 NE ARG A 25 13.381 -0.677 -1.092 1.00 53.42 N ATOM 403 CZ ARG A 25 14.235 -1.400 -1.774 1.00 40.32 C ATOM 404 NH1 ARG A 25 15.489 -1.086 -1.818 1.00 41.03 N ATOM 405 NH2 ARG A 25 13.820 -2.422 -2.444 1.00 62.14 N ATOM 0 H ARG A 25 9.959 1.549 -1.360 1.00 50.34 H new ATOM 0 HA ARG A 25 11.279 3.767 -0.220 1.00 11.00 H new ATOM 0 HB2 ARG A 25 12.095 1.535 -2.118 1.00 2.41 H new ATOM 0 HB3 ARG A 25 13.242 2.757 -1.608 1.00 2.41 H new ATOM 0 HG2 ARG A 25 12.861 2.125 0.769 1.00 74.22 H new ATOM 0 HG3 ARG A 25 11.710 0.905 0.261 1.00 74.22 H new ATOM 0 HD2 ARG A 25 14.618 0.951 -0.645 1.00 53.45 H new ATOM 0 HD3 ARG A 25 14.056 0.052 0.750 1.00 53.45 H new ATOM 0 HE ARG A 25 12.391 -0.907 -1.173 1.00 53.42 H new ATOM 0 HH11 ARG A 25 15.827 -0.264 -1.317 1.00 41.03 H new ATOM 0 HH12 ARG A 25 16.140 -1.660 -2.354 1.00 41.03 H new ATOM 0 HH21 ARG A 25 12.829 -2.665 -2.442 1.00 62.14 H new ATOM 0 HH22 ARG A 25 14.483 -2.986 -2.976 1.00 62.14 H new ATOM 419 N LYS A 26 10.366 4.273 -3.249 1.00 31.42 N ATOM 420 CA LYS A 26 10.335 5.270 -4.332 1.00 55.33 C ATOM 421 C LYS A 26 9.355 6.423 -4.035 1.00 31.43 C ATOM 422 O LYS A 26 9.108 7.267 -4.896 1.00 64.44 O ATOM 423 CB LYS A 26 9.960 4.598 -5.662 1.00 1.03 C ATOM 424 CG LYS A 26 11.035 3.658 -6.204 1.00 24.23 C ATOM 425 CD LYS A 26 10.621 3.025 -7.534 1.00 13.35 C ATOM 426 CE LYS A 26 10.319 4.072 -8.605 1.00 65.21 C ATOM 427 NZ LYS A 26 11.477 4.972 -8.859 1.00 53.54 N ATOM 0 H LYS A 26 9.636 3.563 -3.309 1.00 31.42 H new ATOM 0 HA LYS A 26 11.335 5.697 -4.405 1.00 55.33 H new ATOM 0 HB2 LYS A 26 9.035 4.037 -5.527 1.00 1.03 H new ATOM 0 HB3 LYS A 26 9.759 5.370 -6.404 1.00 1.03 H new ATOM 0 HG2 LYS A 26 11.965 4.210 -6.338 1.00 24.23 H new ATOM 0 HG3 LYS A 26 11.232 2.873 -5.474 1.00 24.23 H new ATOM 0 HD2 LYS A 26 11.417 2.369 -7.885 1.00 13.35 H new ATOM 0 HD3 LYS A 26 9.740 2.402 -7.379 1.00 13.35 H new ATOM 0 HE2 LYS A 26 10.042 3.570 -9.532 1.00 65.21 H new ATOM 0 HE3 LYS A 26 9.460 4.668 -8.296 1.00 65.21 H new ATOM 0 HZ1 LYS A 26 11.254 5.609 -9.650 1.00 53.54 H new ATOM 0 HZ2 LYS A 26 11.673 5.534 -8.006 1.00 53.54 H new ATOM 0 HZ3 LYS A 26 12.314 4.402 -9.098 1.00 53.54 H new ATOM 441 N MET A 27 8.794 6.451 -2.824 1.00 54.43 N ATOM 442 CA MET A 27 7.869 7.524 -2.415 1.00 34.51 C ATOM 443 C MET A 27 8.047 7.887 -0.930 1.00 12.42 C ATOM 444 O MET A 27 8.887 7.316 -0.234 1.00 51.41 O ATOM 445 CB MET A 27 6.406 7.109 -2.663 1.00 11.15 C ATOM 446 CG MET A 27 6.049 6.906 -4.132 1.00 0.33 C ATOM 447 SD MET A 27 4.292 6.575 -4.387 1.00 0.23 S ATOM 448 CE MET A 27 4.080 5.056 -3.456 1.00 61.25 C ATOM 0 H MET A 27 8.961 5.746 -2.106 1.00 54.43 H new ATOM 0 HA MET A 27 8.106 8.399 -3.020 1.00 34.51 H new ATOM 0 HB2 MET A 27 6.207 6.184 -2.122 1.00 11.15 H new ATOM 0 HB3 MET A 27 5.749 7.871 -2.244 1.00 11.15 H new ATOM 0 HG2 MET A 27 6.332 7.795 -4.696 1.00 0.33 H new ATOM 0 HG3 MET A 27 6.632 6.076 -4.531 1.00 0.33 H new ATOM 0 HE1 MET A 27 3.134 4.590 -3.731 1.00 61.25 H new ATOM 0 HE2 MET A 27 4.900 4.374 -3.681 1.00 61.25 H new ATOM 0 HE3 MET A 27 4.077 5.280 -2.389 1.00 61.25 H new ATOM 458 N ASN A 28 7.257 8.849 -0.456 1.00 32.12 N ATOM 459 CA ASN A 28 7.241 9.218 0.968 1.00 73.23 C ATOM 460 C ASN A 28 6.044 8.576 1.688 1.00 13.33 C ATOM 461 O ASN A 28 4.957 8.473 1.122 1.00 12.14 O ATOM 462 CB ASN A 28 7.176 10.743 1.132 1.00 33.13 C ATOM 463 CG ASN A 28 8.369 11.449 0.517 1.00 34.42 C ATOM 464 OD1 ASN A 28 9.466 10.908 0.463 1.00 12.42 O ATOM 465 ND2 ASN A 28 8.173 12.668 0.062 1.00 14.13 N ATOM 0 H ASN A 28 6.616 9.391 -1.035 1.00 32.12 H new ATOM 0 HA ASN A 28 8.164 8.848 1.415 1.00 73.23 H new ATOM 0 HB2 ASN A 28 6.261 11.115 0.671 1.00 33.13 H new ATOM 0 HB3 ASN A 28 7.121 10.988 2.193 1.00 33.13 H new ATOM 0 HD21 ASN A 28 8.947 13.189 -0.350 1.00 14.13 H new ATOM 0 HD22 ASN A 28 7.247 13.092 0.121 1.00 14.13 H new ATOM 472 N LEU A 29 6.246 8.147 2.933 1.00 4.44 N ATOM 473 CA LEU A 29 5.162 7.573 3.744 1.00 4.32 C ATOM 474 C LEU A 29 4.963 8.371 5.038 1.00 42.13 C ATOM 475 O LEU A 29 5.861 9.082 5.487 1.00 4.53 O ATOM 476 CB LEU A 29 5.458 6.106 4.093 1.00 53.45 C ATOM 477 CG LEU A 29 5.575 5.142 2.901 1.00 52.23 C ATOM 478 CD1 LEU A 29 5.827 3.719 3.396 1.00 62.35 C ATOM 479 CD2 LEU A 29 4.325 5.199 2.026 1.00 24.40 C ATOM 0 H LEU A 29 7.149 8.184 3.406 1.00 4.44 H new ATOM 0 HA LEU A 29 4.249 7.623 3.151 1.00 4.32 H new ATOM 0 HB2 LEU A 29 6.389 6.068 4.659 1.00 53.45 H new ATOM 0 HB3 LEU A 29 4.669 5.743 4.752 1.00 53.45 H new ATOM 0 HG LEU A 29 6.423 5.452 2.290 1.00 52.23 H new ATOM 0 HD11 LEU A 29 5.908 3.046 2.543 1.00 62.35 H new ATOM 0 HD12 LEU A 29 6.754 3.692 3.969 1.00 62.35 H new ATOM 0 HD13 LEU A 29 4.999 3.403 4.030 1.00 62.35 H new ATOM 0 HD21 LEU A 29 4.434 4.508 1.190 1.00 24.40 H new ATOM 0 HD22 LEU A 29 3.454 4.918 2.618 1.00 24.40 H new ATOM 0 HD23 LEU A 29 4.194 6.212 1.644 1.00 24.40 H new ATOM 491 N THR A 30 3.781 8.260 5.636 1.00 32.24 N ATOM 492 CA THR A 30 3.533 8.882 6.941 1.00 1.41 C ATOM 493 C THR A 30 4.367 8.192 8.032 1.00 52.51 C ATOM 494 O THR A 30 4.383 6.965 8.133 1.00 51.12 O ATOM 495 CB THR A 30 2.031 8.859 7.324 1.00 55.12 C ATOM 496 OG1 THR A 30 1.826 9.524 8.575 1.00 13.42 O ATOM 497 CG2 THR A 30 1.487 7.440 7.411 1.00 3.13 C ATOM 0 H THR A 30 2.986 7.753 5.247 1.00 32.24 H new ATOM 0 HA THR A 30 3.835 9.926 6.862 1.00 1.41 H new ATOM 0 HB THR A 30 1.491 9.382 6.535 1.00 55.12 H new ATOM 0 HG1 THR A 30 0.873 9.504 8.804 1.00 13.42 H new ATOM 0 HG21 THR A 30 0.432 7.471 7.682 1.00 3.13 H new ATOM 0 HG22 THR A 30 1.599 6.947 6.445 1.00 3.13 H new ATOM 0 HG23 THR A 30 2.040 6.884 8.168 1.00 3.13 H new ATOM 505 N ARG A 31 5.062 8.984 8.849 1.00 73.02 N ATOM 506 CA ARG A 31 6.046 8.450 9.812 1.00 31.33 C ATOM 507 C ARG A 31 5.444 7.465 10.839 1.00 14.12 C ATOM 508 O ARG A 31 6.181 6.805 11.575 1.00 53.15 O ATOM 509 CB ARG A 31 6.791 9.603 10.519 1.00 75.32 C ATOM 510 CG ARG A 31 5.899 10.735 11.033 1.00 64.04 C ATOM 511 CD ARG A 31 5.147 10.374 12.309 1.00 4.54 C ATOM 512 NE ARG A 31 4.310 11.479 12.772 1.00 43.51 N ATOM 513 CZ ARG A 31 4.671 12.343 13.682 1.00 33.51 C ATOM 514 NH1 ARG A 31 5.816 12.237 14.279 1.00 22.42 N ATOM 515 NH2 ARG A 31 3.883 13.317 13.995 1.00 13.13 N ATOM 0 H ARG A 31 4.967 9.999 8.869 1.00 73.02 H new ATOM 0 HA ARG A 31 6.757 7.866 9.228 1.00 31.33 H new ATOM 0 HB2 ARG A 31 7.350 9.192 11.360 1.00 75.32 H new ATOM 0 HB3 ARG A 31 7.520 10.022 9.826 1.00 75.32 H new ATOM 0 HG2 ARG A 31 6.512 11.617 11.217 1.00 64.04 H new ATOM 0 HG3 ARG A 31 5.180 11.003 10.259 1.00 64.04 H new ATOM 0 HD2 ARG A 31 4.526 9.497 12.130 1.00 4.54 H new ATOM 0 HD3 ARG A 31 5.860 10.106 13.089 1.00 4.54 H new ATOM 0 HE ARG A 31 3.384 11.582 12.357 1.00 43.51 H new ATOM 0 HH11 ARG A 31 6.447 11.472 14.040 1.00 22.42 H new ATOM 0 HH12 ARG A 31 6.086 12.918 14.988 1.00 22.42 H new ATOM 0 HH21 ARG A 31 2.979 13.411 13.531 1.00 13.13 H new ATOM 0 HH22 ARG A 31 4.164 13.992 14.706 1.00 13.13 H new ATOM 529 N GLY A 32 4.118 7.370 10.893 1.00 1.03 N ATOM 530 CA GLY A 32 3.462 6.404 11.778 1.00 2.43 C ATOM 531 C GLY A 32 2.651 5.348 11.022 1.00 73.43 C ATOM 532 O GLY A 32 1.644 4.848 11.531 1.00 74.05 O ATOM 0 H GLY A 32 3.479 7.943 10.341 1.00 1.03 H new ATOM 0 HA2 GLY A 32 4.218 5.906 12.386 1.00 2.43 H new ATOM 0 HA3 GLY A 32 2.803 6.938 12.463 1.00 2.43 H new ATOM 536 N ILE A 33 3.090 5.004 9.811 1.00 22.42 N ATOM 537 CA ILE A 33 2.368 4.049 8.958 1.00 60.24 C ATOM 538 C ILE A 33 2.579 2.586 9.401 1.00 1.24 C ATOM 539 O ILE A 33 3.705 2.143 9.622 1.00 43.52 O ATOM 540 CB ILE A 33 2.793 4.202 7.469 1.00 34.11 C ATOM 541 CG1 ILE A 33 1.939 3.301 6.562 1.00 34.23 C ATOM 542 CG2 ILE A 33 4.282 3.902 7.285 1.00 61.13 C ATOM 543 CD1 ILE A 33 2.248 3.450 5.087 1.00 2.31 C ATOM 0 H ILE A 33 3.945 5.372 9.394 1.00 22.42 H new ATOM 0 HA ILE A 33 1.309 4.284 9.063 1.00 60.24 H new ATOM 0 HB ILE A 33 2.623 5.239 7.178 1.00 34.11 H new ATOM 0 HG12 ILE A 33 2.090 2.261 6.852 1.00 34.23 H new ATOM 0 HG13 ILE A 33 0.886 3.528 6.728 1.00 34.23 H new ATOM 0 HG21 ILE A 33 4.549 4.017 6.235 1.00 61.13 H new ATOM 0 HG22 ILE A 33 4.870 4.595 7.887 1.00 61.13 H new ATOM 0 HG23 ILE A 33 4.489 2.880 7.602 1.00 61.13 H new ATOM 0 HD11 ILE A 33 1.606 2.783 4.512 1.00 2.31 H new ATOM 0 HD12 ILE A 33 2.069 4.480 4.780 1.00 2.31 H new ATOM 0 HD13 ILE A 33 3.292 3.194 4.906 1.00 2.31 H new ATOM 555 N ASN A 34 1.480 1.843 9.538 1.00 42.41 N ATOM 556 CA ASN A 34 1.550 0.411 9.847 1.00 40.34 C ATOM 557 C ASN A 34 1.402 -0.431 8.564 1.00 4.41 C ATOM 558 O ASN A 34 0.289 -0.698 8.106 1.00 52.24 O ATOM 559 CB ASN A 34 0.456 0.026 10.855 1.00 53.33 C ATOM 560 CG ASN A 34 0.588 -1.404 11.359 1.00 70.33 C ATOM 561 OD1 ASN A 34 1.232 -2.248 10.740 1.00 15.42 O ATOM 562 ND2 ASN A 34 -0.059 -1.705 12.466 1.00 3.41 N ATOM 0 H ASN A 34 0.532 2.206 9.440 1.00 42.41 H new ATOM 0 HA ASN A 34 2.526 0.206 10.288 1.00 40.34 H new ATOM 0 HB2 ASN A 34 0.495 0.709 11.703 1.00 53.33 H new ATOM 0 HB3 ASN A 34 -0.521 0.152 10.388 1.00 53.33 H new ATOM 0 HD21 ASN A 34 -0.033 -2.658 12.829 1.00 3.41 H new ATOM 0 HD22 ASN A 34 -0.586 -0.985 12.960 1.00 3.41 H new ATOM 569 N LEU A 35 2.530 -0.839 7.985 1.00 25.41 N ATOM 570 CA LEU A 35 2.520 -1.660 6.764 1.00 63.41 C ATOM 571 C LEU A 35 1.983 -3.080 7.030 1.00 60.34 C ATOM 572 O LEU A 35 1.378 -3.696 6.152 1.00 4.43 O ATOM 573 CB LEU A 35 3.927 -1.737 6.153 1.00 54.54 C ATOM 574 CG LEU A 35 4.497 -0.406 5.631 1.00 53.43 C ATOM 575 CD1 LEU A 35 5.930 -0.589 5.131 1.00 34.44 C ATOM 576 CD2 LEU A 35 3.611 0.166 4.522 1.00 74.42 C ATOM 0 H LEU A 35 3.462 -0.618 8.336 1.00 25.41 H new ATOM 0 HA LEU A 35 1.847 -1.176 6.056 1.00 63.41 H new ATOM 0 HB2 LEU A 35 4.609 -2.134 6.905 1.00 54.54 H new ATOM 0 HB3 LEU A 35 3.908 -2.452 5.330 1.00 54.54 H new ATOM 0 HG LEU A 35 4.511 0.303 6.459 1.00 53.43 H new ATOM 0 HD11 LEU A 35 6.313 0.364 4.767 1.00 34.44 H new ATOM 0 HD12 LEU A 35 6.558 -0.944 5.948 1.00 34.44 H new ATOM 0 HD13 LEU A 35 5.942 -1.318 4.321 1.00 34.44 H new ATOM 0 HD21 LEU A 35 4.033 1.107 4.168 1.00 74.42 H new ATOM 0 HD22 LEU A 35 3.560 -0.543 3.695 1.00 74.42 H new ATOM 0 HD23 LEU A 35 2.608 0.342 4.912 1.00 74.42 H new ATOM 588 N ARG A 36 2.201 -3.593 8.242 1.00 55.40 N ATOM 589 CA ARG A 36 1.727 -4.936 8.603 1.00 72.11 C ATOM 590 C ARG A 36 0.193 -5.006 8.602 1.00 4.14 C ATOM 591 O ARG A 36 -0.391 -5.938 8.051 1.00 30.02 O ATOM 592 CB ARG A 36 2.273 -5.362 9.975 1.00 32.10 C ATOM 593 CG ARG A 36 1.688 -6.682 10.477 1.00 2.44 C ATOM 594 CD ARG A 36 2.294 -7.122 11.806 1.00 22.52 C ATOM 595 NE ARG A 36 1.543 -8.228 12.396 1.00 23.54 N ATOM 596 CZ ARG A 36 2.078 -9.233 13.036 1.00 64.33 C ATOM 597 NH1 ARG A 36 3.366 -9.355 13.129 1.00 51.12 N ATOM 598 NH2 ARG A 36 1.319 -10.130 13.572 1.00 30.54 N ATOM 0 H ARG A 36 2.699 -3.106 8.987 1.00 55.40 H new ATOM 0 HA ARG A 36 2.102 -5.627 7.848 1.00 72.11 H new ATOM 0 HB2 ARG A 36 3.357 -5.453 9.914 1.00 32.10 H new ATOM 0 HB3 ARG A 36 2.060 -4.579 10.702 1.00 32.10 H new ATOM 0 HG2 ARG A 36 0.609 -6.578 10.590 1.00 2.44 H new ATOM 0 HG3 ARG A 36 1.857 -7.458 9.730 1.00 2.44 H new ATOM 0 HD2 ARG A 36 3.330 -7.425 11.652 1.00 22.52 H new ATOM 0 HD3 ARG A 36 2.307 -6.280 12.498 1.00 22.52 H new ATOM 0 HE ARG A 36 0.528 -8.214 12.301 1.00 23.54 H new ATOM 0 HH11 ARG A 36 3.976 -8.660 12.699 1.00 51.12 H new ATOM 0 HH12 ARG A 36 3.768 -10.146 13.632 1.00 51.12 H new ATOM 0 HH21 ARG A 36 0.305 -10.052 13.495 1.00 30.54 H new ATOM 0 HH22 ARG A 36 1.734 -10.916 14.072 1.00 30.54 H new ATOM 612 N LYS A 37 -0.451 -4.011 9.212 1.00 22.32 N ATOM 613 CA LYS A 37 -1.916 -3.933 9.246 1.00 4.15 C ATOM 614 C LYS A 37 -2.492 -3.989 7.822 1.00 55.31 C ATOM 615 O LYS A 37 -3.520 -4.621 7.581 1.00 45.22 O ATOM 616 CB LYS A 37 -2.341 -2.644 9.974 1.00 25.43 C ATOM 617 CG LYS A 37 -3.823 -2.554 10.332 1.00 61.21 C ATOM 618 CD LYS A 37 -4.675 -2.037 9.175 1.00 52.21 C ATOM 619 CE LYS A 37 -6.081 -1.688 9.642 1.00 24.23 C ATOM 620 NZ LYS A 37 -6.907 -1.094 8.560 1.00 43.45 N ATOM 0 H LYS A 37 0.019 -3.243 9.692 1.00 22.32 H new ATOM 0 HA LYS A 37 -2.314 -4.788 9.792 1.00 4.15 H new ATOM 0 HB2 LYS A 37 -1.757 -2.554 10.890 1.00 25.43 H new ATOM 0 HB3 LYS A 37 -2.083 -1.791 9.347 1.00 25.43 H new ATOM 0 HG2 LYS A 37 -4.182 -3.539 10.631 1.00 61.21 H new ATOM 0 HG3 LYS A 37 -3.946 -1.896 11.192 1.00 61.21 H new ATOM 0 HD2 LYS A 37 -4.205 -1.156 8.738 1.00 52.21 H new ATOM 0 HD3 LYS A 37 -4.726 -2.793 8.391 1.00 52.21 H new ATOM 0 HE2 LYS A 37 -6.570 -2.587 10.016 1.00 24.23 H new ATOM 0 HE3 LYS A 37 -6.021 -0.988 10.475 1.00 24.23 H new ATOM 0 HZ1 LYS A 37 -7.350 -0.217 8.903 1.00 43.45 H new ATOM 0 HZ2 LYS A 37 -6.304 -0.880 7.740 1.00 43.45 H new ATOM 0 HZ3 LYS A 37 -7.647 -1.768 8.278 1.00 43.45 H new ATOM 634 N ILE A 38 -1.808 -3.338 6.882 1.00 12.35 N ATOM 635 CA ILE A 38 -2.177 -3.405 5.465 1.00 74.13 C ATOM 636 C ILE A 38 -2.022 -4.836 4.924 1.00 31.34 C ATOM 637 O ILE A 38 -2.938 -5.383 4.309 1.00 2.24 O ATOM 638 CB ILE A 38 -1.305 -2.444 4.617 1.00 21.33 C ATOM 639 CG1 ILE A 38 -1.390 -1.012 5.168 1.00 33.25 C ATOM 640 CG2 ILE A 38 -1.720 -2.483 3.147 1.00 30.23 C ATOM 641 CD1 ILE A 38 -2.799 -0.456 5.228 1.00 75.31 C ATOM 0 H ILE A 38 -0.993 -2.756 7.075 1.00 12.35 H new ATOM 0 HA ILE A 38 -3.221 -3.103 5.388 1.00 74.13 H new ATOM 0 HB ILE A 38 -0.269 -2.777 4.683 1.00 21.33 H new ATOM 0 HG12 ILE A 38 -0.960 -0.993 6.170 1.00 33.25 H new ATOM 0 HG13 ILE A 38 -0.779 -0.358 4.546 1.00 33.25 H new ATOM 0 HG21 ILE A 38 -1.093 -1.800 2.574 1.00 30.23 H new ATOM 0 HG22 ILE A 38 -1.600 -3.496 2.762 1.00 30.23 H new ATOM 0 HG23 ILE A 38 -2.763 -2.181 3.055 1.00 30.23 H new ATOM 0 HD11 ILE A 38 -2.773 0.558 5.628 1.00 75.31 H new ATOM 0 HD12 ILE A 38 -3.227 -0.440 4.226 1.00 75.31 H new ATOM 0 HD13 ILE A 38 -3.411 -1.085 5.874 1.00 75.31 H new ATOM 653 N ALA A 39 -0.858 -5.438 5.176 1.00 64.12 N ATOM 654 CA ALA A 39 -0.573 -6.810 4.736 1.00 1.35 C ATOM 655 C ALA A 39 -1.587 -7.817 5.304 1.00 61.24 C ATOM 656 O ALA A 39 -1.962 -8.780 4.635 1.00 53.02 O ATOM 657 CB ALA A 39 0.845 -7.205 5.142 1.00 53.10 C ATOM 0 H ALA A 39 -0.092 -4.996 5.685 1.00 64.12 H new ATOM 0 HA ALA A 39 -0.660 -6.834 3.650 1.00 1.35 H new ATOM 0 HB1 ALA A 39 1.048 -8.224 4.812 1.00 53.10 H new ATOM 0 HB2 ALA A 39 1.559 -6.524 4.678 1.00 53.10 H new ATOM 0 HB3 ALA A 39 0.942 -7.149 6.226 1.00 53.10 H new ATOM 663 N GLU A 40 -2.027 -7.589 6.540 1.00 23.12 N ATOM 664 CA GLU A 40 -3.008 -8.465 7.193 1.00 21.20 C ATOM 665 C GLU A 40 -4.412 -8.309 6.585 1.00 43.13 C ATOM 666 O GLU A 40 -5.299 -9.131 6.829 1.00 73.04 O ATOM 667 CB GLU A 40 -3.051 -8.202 8.706 1.00 71.23 C ATOM 668 CG GLU A 40 -1.731 -8.504 9.418 1.00 64.33 C ATOM 669 CD GLU A 40 -1.860 -8.501 10.934 1.00 73.53 C ATOM 670 OE1 GLU A 40 -2.484 -9.440 11.476 1.00 61.01 O ATOM 671 OE2 GLU A 40 -1.340 -7.573 11.589 1.00 11.11 O ATOM 0 H GLU A 40 -1.721 -6.803 7.114 1.00 23.12 H new ATOM 0 HA GLU A 40 -2.686 -9.492 7.022 1.00 21.20 H new ATOM 0 HB2 GLU A 40 -3.316 -7.159 8.878 1.00 71.23 H new ATOM 0 HB3 GLU A 40 -3.840 -8.809 9.149 1.00 71.23 H new ATOM 0 HG2 GLU A 40 -1.363 -9.477 9.092 1.00 64.33 H new ATOM 0 HG3 GLU A 40 -0.987 -7.765 9.121 1.00 64.33 H new ATOM 678 N LEU A 41 -4.615 -7.245 5.810 1.00 54.24 N ATOM 679 CA LEU A 41 -5.881 -7.031 5.092 1.00 41.24 C ATOM 680 C LEU A 41 -5.879 -7.734 3.722 1.00 63.44 C ATOM 681 O LEU A 41 -6.900 -7.777 3.036 1.00 63.14 O ATOM 682 CB LEU A 41 -6.134 -5.529 4.894 1.00 14.41 C ATOM 683 CG LEU A 41 -6.344 -4.717 6.183 1.00 10.54 C ATOM 684 CD1 LEU A 41 -6.478 -3.231 5.872 1.00 51.21 C ATOM 685 CD2 LEU A 41 -7.573 -5.215 6.942 1.00 60.41 C ATOM 0 H LEU A 41 -3.920 -6.513 5.660 1.00 54.24 H new ATOM 0 HA LEU A 41 -6.678 -7.461 5.699 1.00 41.24 H new ATOM 0 HB2 LEU A 41 -5.289 -5.105 4.352 1.00 14.41 H new ATOM 0 HB3 LEU A 41 -7.013 -5.407 4.261 1.00 14.41 H new ATOM 0 HG LEU A 41 -5.468 -4.857 6.816 1.00 10.54 H new ATOM 0 HD11 LEU A 41 -6.626 -2.677 6.799 1.00 51.21 H new ATOM 0 HD12 LEU A 41 -5.571 -2.879 5.380 1.00 51.21 H new ATOM 0 HD13 LEU A 41 -7.333 -3.073 5.215 1.00 51.21 H new ATOM 0 HD21 LEU A 41 -7.703 -4.627 7.850 1.00 60.41 H new ATOM 0 HD22 LEU A 41 -8.457 -5.110 6.312 1.00 60.41 H new ATOM 0 HD23 LEU A 41 -7.438 -6.264 7.205 1.00 60.41 H new ATOM 697 N MET A 42 -4.724 -8.279 3.331 1.00 34.33 N ATOM 698 CA MET A 42 -4.576 -8.954 2.033 1.00 54.42 C ATOM 699 C MET A 42 -4.337 -10.467 2.215 1.00 63.04 C ATOM 700 O MET A 42 -3.192 -10.924 2.263 1.00 54.15 O ATOM 701 CB MET A 42 -3.414 -8.327 1.247 1.00 61.34 C ATOM 702 CG MET A 42 -3.517 -6.812 1.109 1.00 32.30 C ATOM 703 SD MET A 42 -2.140 -6.095 0.191 1.00 52.34 S ATOM 704 CE MET A 42 -2.374 -6.839 -1.419 1.00 4.02 C ATOM 0 H MET A 42 -3.874 -8.267 3.895 1.00 34.33 H new ATOM 0 HA MET A 42 -5.503 -8.824 1.474 1.00 54.42 H new ATOM 0 HB2 MET A 42 -2.475 -8.575 1.743 1.00 61.34 H new ATOM 0 HB3 MET A 42 -3.377 -8.772 0.253 1.00 61.34 H new ATOM 0 HG2 MET A 42 -4.451 -6.561 0.607 1.00 32.30 H new ATOM 0 HG3 MET A 42 -3.558 -6.364 2.102 1.00 32.30 H new ATOM 0 HE1 MET A 42 -2.172 -6.100 -2.194 1.00 4.02 H new ATOM 0 HE2 MET A 42 -1.691 -7.681 -1.534 1.00 4.02 H new ATOM 0 HE3 MET A 42 -3.402 -7.190 -1.512 1.00 4.02 H new ATOM 714 N PRO A 43 -5.417 -11.268 2.322 1.00 20.35 N ATOM 715 CA PRO A 43 -5.307 -12.715 2.584 1.00 64.12 C ATOM 716 C PRO A 43 -4.741 -13.515 1.394 1.00 22.33 C ATOM 717 O PRO A 43 -5.428 -13.751 0.395 1.00 74.54 O ATOM 718 CB PRO A 43 -6.754 -13.129 2.890 1.00 12.10 C ATOM 719 CG PRO A 43 -7.594 -12.126 2.172 1.00 41.34 C ATOM 720 CD PRO A 43 -6.824 -10.832 2.211 1.00 53.42 C ATOM 0 HA PRO A 43 -4.607 -12.923 3.393 1.00 64.12 H new ATOM 0 HB2 PRO A 43 -6.959 -14.141 2.540 1.00 12.10 H new ATOM 0 HB3 PRO A 43 -6.951 -13.116 3.962 1.00 12.10 H new ATOM 0 HG2 PRO A 43 -7.780 -12.438 1.144 1.00 41.34 H new ATOM 0 HG3 PRO A 43 -8.566 -12.016 2.653 1.00 41.34 H new ATOM 0 HD2 PRO A 43 -6.990 -10.239 1.311 1.00 53.42 H new ATOM 0 HD3 PRO A 43 -7.120 -10.214 3.059 1.00 53.42 H new ATOM 728 N GLY A 44 -3.475 -13.925 1.509 1.00 5.13 N ATOM 729 CA GLY A 44 -2.837 -14.732 0.471 1.00 32.51 C ATOM 730 C GLY A 44 -2.685 -14.009 -0.869 1.00 55.14 C ATOM 731 O GLY A 44 -2.662 -14.645 -1.922 1.00 45.41 O ATOM 0 H GLY A 44 -2.876 -13.712 2.307 1.00 5.13 H new ATOM 0 HA2 GLY A 44 -1.852 -15.042 0.819 1.00 32.51 H new ATOM 0 HA3 GLY A 44 -3.421 -15.639 0.319 1.00 32.51 H new ATOM 735 N ALA A 45 -2.581 -12.684 -0.826 1.00 4.13 N ATOM 736 CA ALA A 45 -2.435 -11.876 -2.045 1.00 72.42 C ATOM 737 C ALA A 45 -1.046 -12.047 -2.687 1.00 43.32 C ATOM 738 O ALA A 45 -0.060 -12.315 -2.000 1.00 11.15 O ATOM 739 CB ALA A 45 -2.694 -10.409 -1.732 1.00 35.03 C ATOM 0 H ALA A 45 -2.595 -12.141 0.038 1.00 4.13 H new ATOM 0 HA ALA A 45 -3.173 -12.229 -2.766 1.00 72.42 H new ATOM 0 HB1 ALA A 45 -2.584 -9.818 -2.641 1.00 35.03 H new ATOM 0 HB2 ALA A 45 -3.706 -10.293 -1.344 1.00 35.03 H new ATOM 0 HB3 ALA A 45 -1.978 -10.064 -0.986 1.00 35.03 H new ATOM 745 N SER A 46 -0.981 -11.890 -4.008 1.00 75.42 N ATOM 746 CA SER A 46 0.281 -12.034 -4.752 1.00 53.51 C ATOM 747 C SER A 46 1.044 -10.705 -4.845 1.00 64.14 C ATOM 748 O SER A 46 0.497 -9.640 -4.544 1.00 1.14 O ATOM 749 CB SER A 46 0.007 -12.553 -6.170 1.00 11.22 C ATOM 750 OG SER A 46 -0.765 -11.623 -6.917 1.00 3.35 O ATOM 0 H SER A 46 -1.786 -11.662 -4.591 1.00 75.42 H new ATOM 0 HA SER A 46 0.896 -12.748 -4.205 1.00 53.51 H new ATOM 0 HB2 SER A 46 0.952 -12.739 -6.681 1.00 11.22 H new ATOM 0 HB3 SER A 46 -0.519 -13.506 -6.116 1.00 11.22 H new ATOM 0 HG SER A 46 -0.924 -11.978 -7.817 1.00 3.35 H new ATOM 756 N GLY A 47 2.306 -10.772 -5.273 1.00 71.45 N ATOM 757 CA GLY A 47 3.113 -9.566 -5.438 1.00 52.53 C ATOM 758 C GLY A 47 2.486 -8.554 -6.390 1.00 2.22 C ATOM 759 O GLY A 47 2.632 -7.343 -6.208 1.00 31.11 O ATOM 0 H GLY A 47 2.786 -11.640 -5.509 1.00 71.45 H new ATOM 0 HA2 GLY A 47 3.260 -9.098 -4.465 1.00 52.53 H new ATOM 0 HA3 GLY A 47 4.099 -9.844 -5.810 1.00 52.53 H new ATOM 763 N ALA A 48 1.788 -9.052 -7.409 1.00 23.02 N ATOM 764 CA ALA A 48 1.058 -8.196 -8.346 1.00 63.42 C ATOM 765 C ALA A 48 -0.028 -7.385 -7.622 1.00 0.33 C ATOM 766 O ALA A 48 -0.144 -6.173 -7.808 1.00 71.21 O ATOM 767 CB ALA A 48 0.444 -9.039 -9.462 1.00 52.34 C ATOM 0 H ALA A 48 1.712 -10.049 -7.608 1.00 23.02 H new ATOM 0 HA ALA A 48 1.764 -7.492 -8.786 1.00 63.42 H new ATOM 0 HB1 ALA A 48 -0.096 -8.391 -10.152 1.00 52.34 H new ATOM 0 HB2 ALA A 48 1.235 -9.563 -9.999 1.00 52.34 H new ATOM 0 HB3 ALA A 48 -0.245 -9.766 -9.032 1.00 52.34 H new ATOM 773 N GLU A 49 -0.805 -8.065 -6.778 1.00 21.11 N ATOM 774 CA GLU A 49 -1.858 -7.410 -5.988 1.00 43.45 C ATOM 775 C GLU A 49 -1.260 -6.351 -5.048 1.00 25.13 C ATOM 776 O GLU A 49 -1.784 -5.243 -4.924 1.00 24.44 O ATOM 777 CB GLU A 49 -2.634 -8.453 -5.168 1.00 52.43 C ATOM 778 CG GLU A 49 -3.204 -9.604 -5.996 1.00 31.41 C ATOM 779 CD GLU A 49 -4.251 -9.159 -7.010 1.00 51.31 C ATOM 780 OE1 GLU A 49 -3.873 -8.692 -8.107 1.00 62.50 O ATOM 781 OE2 GLU A 49 -5.458 -9.287 -6.724 1.00 45.34 O ATOM 0 H GLU A 49 -0.728 -9.070 -6.621 1.00 21.11 H new ATOM 0 HA GLU A 49 -2.541 -6.915 -6.679 1.00 43.45 H new ATOM 0 HB2 GLU A 49 -1.973 -8.863 -4.404 1.00 52.43 H new ATOM 0 HB3 GLU A 49 -3.452 -7.954 -4.648 1.00 52.43 H new ATOM 0 HG2 GLU A 49 -2.389 -10.103 -6.521 1.00 31.41 H new ATOM 0 HG3 GLU A 49 -3.648 -10.339 -5.325 1.00 31.41 H new ATOM 788 N VAL A 50 -0.154 -6.705 -4.391 1.00 63.12 N ATOM 789 CA VAL A 50 0.551 -5.784 -3.488 1.00 50.03 C ATOM 790 C VAL A 50 1.064 -4.544 -4.242 1.00 62.40 C ATOM 791 O VAL A 50 0.943 -3.413 -3.761 1.00 35.42 O ATOM 792 CB VAL A 50 1.739 -6.484 -2.782 1.00 13.33 C ATOM 793 CG1 VAL A 50 2.450 -5.531 -1.820 1.00 32.11 C ATOM 794 CG2 VAL A 50 1.265 -7.740 -2.053 1.00 65.12 C ATOM 0 H VAL A 50 0.277 -7.626 -4.466 1.00 63.12 H new ATOM 0 HA VAL A 50 -0.170 -5.467 -2.735 1.00 50.03 H new ATOM 0 HB VAL A 50 2.458 -6.781 -3.546 1.00 13.33 H new ATOM 0 HG11 VAL A 50 3.279 -6.051 -1.340 1.00 32.11 H new ATOM 0 HG12 VAL A 50 2.831 -4.673 -2.373 1.00 32.11 H new ATOM 0 HG13 VAL A 50 1.747 -5.189 -1.060 1.00 32.11 H new ATOM 0 HG21 VAL A 50 2.113 -8.218 -1.563 1.00 65.12 H new ATOM 0 HG22 VAL A 50 0.520 -7.467 -1.305 1.00 65.12 H new ATOM 0 HG23 VAL A 50 0.823 -8.432 -2.770 1.00 65.12 H new ATOM 804 N LYS A 51 1.634 -4.760 -5.427 1.00 65.30 N ATOM 805 CA LYS A 51 2.098 -3.655 -6.269 1.00 51.41 C ATOM 806 C LYS A 51 0.917 -2.780 -6.716 1.00 33.00 C ATOM 807 O LYS A 51 1.030 -1.555 -6.796 1.00 5.31 O ATOM 808 CB LYS A 51 2.863 -4.187 -7.488 1.00 42.15 C ATOM 809 CG LYS A 51 3.435 -3.089 -8.383 1.00 61.32 C ATOM 810 CD LYS A 51 4.274 -3.658 -9.523 1.00 72.40 C ATOM 811 CE LYS A 51 3.456 -4.538 -10.461 1.00 73.21 C ATOM 812 NZ LYS A 51 4.293 -5.111 -11.548 1.00 44.31 N ATOM 0 H LYS A 51 1.786 -5.686 -5.826 1.00 65.30 H new ATOM 0 HA LYS A 51 2.777 -3.040 -5.678 1.00 51.41 H new ATOM 0 HB2 LYS A 51 3.678 -4.824 -7.144 1.00 42.15 H new ATOM 0 HB3 LYS A 51 2.196 -4.814 -8.079 1.00 42.15 H new ATOM 0 HG2 LYS A 51 2.619 -2.496 -8.795 1.00 61.32 H new ATOM 0 HG3 LYS A 51 4.048 -2.415 -7.784 1.00 61.32 H new ATOM 0 HD2 LYS A 51 4.715 -2.839 -10.090 1.00 72.40 H new ATOM 0 HD3 LYS A 51 5.098 -4.240 -9.109 1.00 72.40 H new ATOM 0 HE2 LYS A 51 2.995 -5.346 -9.892 1.00 73.21 H new ATOM 0 HE3 LYS A 51 2.646 -3.952 -10.896 1.00 73.21 H new ATOM 0 HZ1 LYS A 51 3.702 -5.703 -12.166 1.00 44.31 H new ATOM 0 HZ2 LYS A 51 4.713 -4.340 -12.106 1.00 44.31 H new ATOM 0 HZ3 LYS A 51 5.051 -5.691 -11.134 1.00 44.31 H new ATOM 826 N GLY A 52 -0.219 -3.421 -6.994 1.00 2.54 N ATOM 827 CA GLY A 52 -1.438 -2.690 -7.318 1.00 1.42 C ATOM 828 C GLY A 52 -1.882 -1.769 -6.187 1.00 22.40 C ATOM 829 O GLY A 52 -2.190 -0.600 -6.413 1.00 0.24 O ATOM 0 H GLY A 52 -0.317 -4.436 -7.001 1.00 2.54 H new ATOM 0 HA2 GLY A 52 -1.276 -2.100 -8.220 1.00 1.42 H new ATOM 0 HA3 GLY A 52 -2.236 -3.399 -7.540 1.00 1.42 H new ATOM 833 N VAL A 53 -1.900 -2.302 -4.964 1.00 51.11 N ATOM 834 CA VAL A 53 -2.222 -1.507 -3.771 1.00 22.44 C ATOM 835 C VAL A 53 -1.278 -0.301 -3.631 1.00 63.11 C ATOM 836 O VAL A 53 -1.720 0.822 -3.384 1.00 73.21 O ATOM 837 CB VAL A 53 -2.147 -2.372 -2.484 1.00 2.00 C ATOM 838 CG1 VAL A 53 -2.358 -1.520 -1.230 1.00 35.02 C ATOM 839 CG2 VAL A 53 -3.167 -3.509 -2.541 1.00 42.30 C ATOM 0 H VAL A 53 -1.695 -3.282 -4.770 1.00 51.11 H new ATOM 0 HA VAL A 53 -3.242 -1.144 -3.896 1.00 22.44 H new ATOM 0 HB VAL A 53 -1.148 -2.805 -2.429 1.00 2.00 H new ATOM 0 HG11 VAL A 53 -2.300 -2.154 -0.345 1.00 35.02 H new ATOM 0 HG12 VAL A 53 -1.586 -0.752 -1.178 1.00 35.02 H new ATOM 0 HG13 VAL A 53 -3.339 -1.046 -1.273 1.00 35.02 H new ATOM 0 HG21 VAL A 53 -3.099 -4.104 -1.630 1.00 42.30 H new ATOM 0 HG22 VAL A 53 -4.171 -3.093 -2.629 1.00 42.30 H new ATOM 0 HG23 VAL A 53 -2.959 -4.141 -3.404 1.00 42.30 H new ATOM 849 N CYS A 54 0.021 -0.545 -3.799 1.00 23.11 N ATOM 850 CA CYS A 54 1.035 0.521 -3.741 1.00 31.43 C ATOM 851 C CYS A 54 0.754 1.625 -4.771 1.00 22.13 C ATOM 852 O CYS A 54 0.771 2.816 -4.447 1.00 14.11 O ATOM 853 CB CYS A 54 2.433 -0.068 -3.978 1.00 33.45 C ATOM 854 SG CYS A 54 3.758 1.160 -4.069 1.00 40.52 S ATOM 0 H CYS A 54 0.403 -1.474 -3.977 1.00 23.11 H new ATOM 0 HA CYS A 54 0.990 0.968 -2.748 1.00 31.43 H new ATOM 0 HB2 CYS A 54 2.659 -0.769 -3.175 1.00 33.45 H new ATOM 0 HB3 CYS A 54 2.420 -0.640 -4.906 1.00 33.45 H new ATOM 0 HG CYS A 54 4.728 0.811 -3.277 1.00 40.52 H new ATOM 860 N THR A 55 0.479 1.218 -6.009 1.00 44.00 N ATOM 861 CA THR A 55 0.175 2.161 -7.093 1.00 45.34 C ATOM 862 C THR A 55 -1.091 2.978 -6.792 1.00 34.42 C ATOM 863 O THR A 55 -1.099 4.207 -6.913 1.00 64.14 O ATOM 864 CB THR A 55 -0.008 1.432 -8.450 1.00 42.30 C ATOM 865 OG1 THR A 55 1.155 0.639 -8.748 1.00 1.32 O ATOM 866 CG2 THR A 55 -0.248 2.426 -9.585 1.00 31.33 C ATOM 0 H THR A 55 0.460 0.238 -6.291 1.00 44.00 H new ATOM 0 HA THR A 55 1.029 2.835 -7.162 1.00 45.34 H new ATOM 0 HB THR A 55 -0.881 0.785 -8.365 1.00 42.30 H new ATOM 0 HG1 THR A 55 1.187 -0.134 -8.146 1.00 1.32 H new ATOM 0 HG21 THR A 55 -0.372 1.884 -10.523 1.00 31.33 H new ATOM 0 HG22 THR A 55 -1.148 3.004 -9.378 1.00 31.33 H new ATOM 0 HG23 THR A 55 0.605 3.099 -9.665 1.00 31.33 H new ATOM 874 N GLU A 56 -2.158 2.288 -6.392 1.00 35.43 N ATOM 875 CA GLU A 56 -3.435 2.944 -6.082 1.00 40.12 C ATOM 876 C GLU A 56 -3.319 3.859 -4.855 1.00 53.24 C ATOM 877 O GLU A 56 -3.944 4.920 -4.804 1.00 33.01 O ATOM 878 CB GLU A 56 -4.538 1.899 -5.873 1.00 21.41 C ATOM 879 CG GLU A 56 -4.823 1.055 -7.113 1.00 23.32 C ATOM 880 CD GLU A 56 -5.265 1.892 -8.307 1.00 14.13 C ATOM 881 OE1 GLU A 56 -6.483 2.129 -8.457 1.00 4.22 O ATOM 882 OE2 GLU A 56 -4.401 2.316 -9.101 1.00 1.34 O ATOM 0 H GLU A 56 -2.167 1.275 -6.274 1.00 35.43 H new ATOM 0 HA GLU A 56 -3.701 3.570 -6.934 1.00 40.12 H new ATOM 0 HB2 GLU A 56 -4.252 1.240 -5.053 1.00 21.41 H new ATOM 0 HB3 GLU A 56 -5.454 2.406 -5.570 1.00 21.41 H new ATOM 0 HG2 GLU A 56 -3.927 0.495 -7.380 1.00 23.32 H new ATOM 0 HG3 GLU A 56 -5.598 0.325 -6.880 1.00 23.32 H new ATOM 889 N ALA A 57 -2.515 3.455 -3.875 1.00 14.10 N ATOM 890 CA ALA A 57 -2.241 4.296 -2.704 1.00 72.43 C ATOM 891 C ALA A 57 -1.694 5.665 -3.134 1.00 32.11 C ATOM 892 O ALA A 57 -2.114 6.709 -2.626 1.00 33.23 O ATOM 893 CB ALA A 57 -1.262 3.599 -1.767 1.00 35.52 C ATOM 0 H ALA A 57 -2.040 2.552 -3.865 1.00 14.10 H new ATOM 0 HA ALA A 57 -3.178 4.456 -2.170 1.00 72.43 H new ATOM 0 HB1 ALA A 57 -1.069 4.236 -0.903 1.00 35.52 H new ATOM 0 HB2 ALA A 57 -1.689 2.653 -1.433 1.00 35.52 H new ATOM 0 HB3 ALA A 57 -0.327 3.409 -2.294 1.00 35.52 H new ATOM 899 N GLY A 58 -0.758 5.649 -4.086 1.00 24.22 N ATOM 900 CA GLY A 58 -0.245 6.889 -4.660 1.00 50.14 C ATOM 901 C GLY A 58 -1.337 7.724 -5.326 1.00 52.20 C ATOM 902 O GLY A 58 -1.306 8.952 -5.276 1.00 5.44 O ATOM 0 H GLY A 58 -0.345 4.799 -4.471 1.00 24.22 H new ATOM 0 HA2 GLY A 58 0.231 7.478 -3.876 1.00 50.14 H new ATOM 0 HA3 GLY A 58 0.526 6.654 -5.394 1.00 50.14 H new ATOM 906 N MET A 59 -2.309 7.049 -5.947 1.00 52.41 N ATOM 907 CA MET A 59 -3.465 7.723 -6.555 1.00 45.44 C ATOM 908 C MET A 59 -4.270 8.490 -5.494 1.00 33.43 C ATOM 909 O MET A 59 -4.612 9.662 -5.676 1.00 75.44 O ATOM 910 CB MET A 59 -4.375 6.695 -7.250 1.00 1.44 C ATOM 911 CG MET A 59 -3.694 5.879 -8.349 1.00 35.15 C ATOM 912 SD MET A 59 -3.825 6.634 -9.990 1.00 14.43 S ATOM 913 CE MET A 59 -2.767 8.072 -9.827 1.00 64.14 C ATOM 0 H MET A 59 -2.320 6.034 -6.043 1.00 52.41 H new ATOM 0 HA MET A 59 -3.093 8.433 -7.293 1.00 45.44 H new ATOM 0 HB2 MET A 59 -4.767 6.010 -6.498 1.00 1.44 H new ATOM 0 HB3 MET A 59 -5.229 7.218 -7.681 1.00 1.44 H new ATOM 0 HG2 MET A 59 -2.641 5.753 -8.098 1.00 35.15 H new ATOM 0 HG3 MET A 59 -4.136 4.883 -8.379 1.00 35.15 H new ATOM 0 HE1 MET A 59 -2.329 8.313 -10.795 1.00 64.14 H new ATOM 0 HE2 MET A 59 -3.356 8.919 -9.474 1.00 64.14 H new ATOM 0 HE3 MET A 59 -1.972 7.860 -9.112 1.00 64.14 H new ATOM 923 N TYR A 60 -4.556 7.814 -4.377 1.00 42.21 N ATOM 924 CA TYR A 60 -5.284 8.425 -3.256 1.00 21.11 C ATOM 925 C TYR A 60 -4.517 9.620 -2.663 1.00 12.13 C ATOM 926 O TYR A 60 -5.117 10.607 -2.239 1.00 0.52 O ATOM 927 CB TYR A 60 -5.549 7.389 -2.153 1.00 44.45 C ATOM 928 CG TYR A 60 -6.529 6.292 -2.542 1.00 1.34 C ATOM 929 CD1 TYR A 60 -7.886 6.562 -2.674 1.00 0.34 C ATOM 930 CD2 TYR A 60 -6.097 4.990 -2.769 1.00 22.23 C ATOM 931 CE1 TYR A 60 -8.782 5.567 -3.024 1.00 54.44 C ATOM 932 CE2 TYR A 60 -6.986 3.992 -3.117 1.00 52.25 C ATOM 933 CZ TYR A 60 -8.327 4.285 -3.244 1.00 72.24 C ATOM 934 OH TYR A 60 -9.212 3.287 -3.584 1.00 33.45 O ATOM 0 H TYR A 60 -4.294 6.840 -4.223 1.00 42.21 H new ATOM 0 HA TYR A 60 -6.234 8.787 -3.650 1.00 21.11 H new ATOM 0 HB2 TYR A 60 -4.602 6.929 -1.868 1.00 44.45 H new ATOM 0 HB3 TYR A 60 -5.931 7.904 -1.272 1.00 44.45 H new ATOM 0 HD1 TYR A 60 -8.247 7.565 -2.501 1.00 0.34 H new ATOM 0 HD2 TYR A 60 -5.047 4.755 -2.671 1.00 22.23 H new ATOM 0 HE1 TYR A 60 -9.833 5.794 -3.124 1.00 54.44 H new ATOM 0 HE2 TYR A 60 -6.632 2.986 -3.289 1.00 52.25 H new ATOM 0 HH TYR A 60 -9.202 2.592 -2.893 1.00 33.45 H new ATOM 944 N ALA A 61 -3.192 9.522 -2.631 1.00 11.20 N ATOM 945 CA ALA A 61 -2.348 10.609 -2.120 1.00 21.23 C ATOM 946 C ALA A 61 -2.316 11.816 -3.079 1.00 15.32 C ATOM 947 O ALA A 61 -2.555 12.958 -2.673 1.00 4.43 O ATOM 948 CB ALA A 61 -0.937 10.095 -1.860 1.00 33.53 C ATOM 0 H ALA A 61 -2.675 8.703 -2.952 1.00 11.20 H new ATOM 0 HA ALA A 61 -2.784 10.955 -1.183 1.00 21.23 H new ATOM 0 HB1 ALA A 61 -0.318 10.908 -1.481 1.00 33.53 H new ATOM 0 HB2 ALA A 61 -0.972 9.292 -1.124 1.00 33.53 H new ATOM 0 HB3 ALA A 61 -0.511 9.717 -2.789 1.00 33.53 H new ATOM 954 N LEU A 62 -2.035 11.552 -4.357 1.00 51.21 N ATOM 955 CA LEU A 62 -1.911 12.613 -5.368 1.00 62.10 C ATOM 956 C LEU A 62 -3.222 13.389 -5.569 1.00 22.32 C ATOM 957 O LEU A 62 -3.206 14.618 -5.668 1.00 22.34 O ATOM 958 CB LEU A 62 -1.435 12.032 -6.710 1.00 52.45 C ATOM 959 CG LEU A 62 -0.011 11.445 -6.706 1.00 12.33 C ATOM 960 CD1 LEU A 62 0.354 10.912 -8.090 1.00 1.23 C ATOM 961 CD2 LEU A 62 1.006 12.490 -6.238 1.00 62.34 C ATOM 0 H LEU A 62 -1.888 10.610 -4.720 1.00 51.21 H new ATOM 0 HA LEU A 62 -1.167 13.317 -4.994 1.00 62.10 H new ATOM 0 HB2 LEU A 62 -2.131 11.251 -7.016 1.00 52.45 H new ATOM 0 HB3 LEU A 62 -1.484 12.817 -7.465 1.00 52.45 H new ATOM 0 HG LEU A 62 0.014 10.612 -6.003 1.00 12.33 H new ATOM 0 HD11 LEU A 62 1.363 10.501 -8.067 1.00 1.23 H new ATOM 0 HD12 LEU A 62 -0.349 10.130 -8.376 1.00 1.23 H new ATOM 0 HD13 LEU A 62 0.309 11.724 -8.816 1.00 1.23 H new ATOM 0 HD21 LEU A 62 2.005 12.053 -6.243 1.00 62.34 H new ATOM 0 HD22 LEU A 62 0.982 13.348 -6.910 1.00 62.34 H new ATOM 0 HD23 LEU A 62 0.757 12.813 -5.227 1.00 62.34 H new ATOM 973 N ARG A 63 -4.350 12.681 -5.627 1.00 30.10 N ATOM 974 CA ARG A 63 -5.656 13.337 -5.791 1.00 72.15 C ATOM 975 C ARG A 63 -5.912 14.342 -4.652 1.00 35.13 C ATOM 976 O ARG A 63 -6.563 15.365 -4.844 1.00 31.13 O ATOM 977 CB ARG A 63 -6.791 12.297 -5.820 1.00 61.20 C ATOM 978 CG ARG A 63 -7.013 11.604 -4.477 1.00 51.41 C ATOM 979 CD ARG A 63 -8.268 10.736 -4.450 1.00 34.24 C ATOM 980 NE ARG A 63 -8.589 10.318 -3.085 1.00 63.53 N ATOM 981 CZ ARG A 63 -9.658 9.658 -2.740 1.00 45.13 C ATOM 982 NH1 ARG A 63 -10.511 9.257 -3.630 1.00 61.21 N ATOM 983 NH2 ARG A 63 -9.866 9.389 -1.491 1.00 34.24 N ATOM 0 H ARG A 63 -4.391 11.664 -5.564 1.00 30.10 H new ATOM 0 HA ARG A 63 -5.639 13.872 -6.740 1.00 72.15 H new ATOM 0 HB2 ARG A 63 -7.716 12.787 -6.125 1.00 61.20 H new ATOM 0 HB3 ARG A 63 -6.565 11.545 -6.576 1.00 61.20 H new ATOM 0 HG2 ARG A 63 -6.146 10.985 -4.247 1.00 51.41 H new ATOM 0 HG3 ARG A 63 -7.083 12.358 -3.693 1.00 51.41 H new ATOM 0 HD2 ARG A 63 -9.107 11.291 -4.871 1.00 34.24 H new ATOM 0 HD3 ARG A 63 -8.120 9.857 -5.078 1.00 34.24 H new ATOM 0 HE ARG A 63 -7.926 10.561 -2.349 1.00 63.53 H new ATOM 0 HH11 ARG A 63 -10.350 9.457 -4.617 1.00 61.21 H new ATOM 0 HH12 ARG A 63 -11.343 8.741 -3.343 1.00 61.21 H new ATOM 0 HH21 ARG A 63 -9.195 9.693 -0.785 1.00 34.24 H new ATOM 0 HH22 ARG A 63 -10.700 8.873 -1.213 1.00 34.24 H new ATOM 997 N GLU A 64 -5.366 14.039 -3.471 1.00 24.14 N ATOM 998 CA GLU A 64 -5.579 14.854 -2.264 1.00 32.45 C ATOM 999 C GLU A 64 -4.377 15.775 -1.958 1.00 42.35 C ATOM 1000 O GLU A 64 -4.269 16.313 -0.856 1.00 61.42 O ATOM 1001 CB GLU A 64 -5.857 13.925 -1.067 1.00 65.25 C ATOM 1002 CG GLU A 64 -7.179 13.165 -1.170 1.00 54.23 C ATOM 1003 CD GLU A 64 -7.336 12.098 -0.095 1.00 54.05 C ATOM 1004 OE1 GLU A 64 -7.194 12.426 1.101 1.00 32.35 O ATOM 1005 OE2 GLU A 64 -7.584 10.921 -0.436 1.00 53.31 O ATOM 0 H GLU A 64 -4.767 13.227 -3.321 1.00 24.14 H new ATOM 0 HA GLU A 64 -6.437 15.502 -2.443 1.00 32.45 H new ATOM 0 HB2 GLU A 64 -5.042 13.207 -0.979 1.00 65.25 H new ATOM 0 HB3 GLU A 64 -5.860 14.518 -0.152 1.00 65.25 H new ATOM 0 HG2 GLU A 64 -8.005 13.872 -1.096 1.00 54.23 H new ATOM 0 HG3 GLU A 64 -7.247 12.697 -2.152 1.00 54.23 H new ATOM 1012 N ARG A 65 -3.481 15.946 -2.939 1.00 63.21 N ATOM 1013 CA ARG A 65 -2.312 16.845 -2.805 1.00 40.43 C ATOM 1014 C ARG A 65 -1.351 16.434 -1.671 1.00 13.15 C ATOM 1015 O ARG A 65 -0.508 17.225 -1.247 1.00 71.53 O ATOM 1016 CB ARG A 65 -2.771 18.302 -2.598 1.00 14.31 C ATOM 1017 CG ARG A 65 -3.069 19.057 -3.890 1.00 4.32 C ATOM 1018 CD ARG A 65 -1.805 19.259 -4.726 1.00 1.12 C ATOM 1019 NE ARG A 65 -2.030 20.147 -5.864 1.00 2.51 N ATOM 1020 CZ ARG A 65 -1.130 20.968 -6.346 1.00 30.33 C ATOM 1021 NH1 ARG A 65 0.057 21.027 -5.828 1.00 5.41 N ATOM 1022 NH2 ARG A 65 -1.419 21.727 -7.352 1.00 74.53 N ATOM 0 H ARG A 65 -3.538 15.474 -3.841 1.00 63.21 H new ATOM 0 HA ARG A 65 -1.756 16.759 -3.739 1.00 40.43 H new ATOM 0 HB2 ARG A 65 -3.666 18.304 -1.976 1.00 14.31 H new ATOM 0 HB3 ARG A 65 -1.999 18.839 -2.047 1.00 14.31 H new ATOM 0 HG2 ARG A 65 -3.807 18.506 -4.472 1.00 4.32 H new ATOM 0 HG3 ARG A 65 -3.508 20.026 -3.653 1.00 4.32 H new ATOM 0 HD2 ARG A 65 -1.017 19.672 -4.096 1.00 1.12 H new ATOM 0 HD3 ARG A 65 -1.452 18.293 -5.086 1.00 1.12 H new ATOM 0 HE ARG A 65 -2.946 20.126 -6.312 1.00 2.51 H new ATOM 0 HH11 ARG A 65 0.298 20.430 -5.037 1.00 5.41 H new ATOM 0 HH12 ARG A 65 0.750 21.670 -6.212 1.00 5.41 H new ATOM 0 HH21 ARG A 65 -2.348 21.687 -7.771 1.00 74.53 H new ATOM 0 HH22 ARG A 65 -0.718 22.366 -7.727 1.00 74.53 H new ATOM 1036 N ARG A 66 -1.455 15.194 -1.206 1.00 55.30 N ATOM 1037 CA ARG A 66 -0.596 14.706 -0.120 1.00 1.50 C ATOM 1038 C ARG A 66 0.650 13.988 -0.667 1.00 22.03 C ATOM 1039 O ARG A 66 0.549 12.930 -1.285 1.00 12.54 O ATOM 1040 CB ARG A 66 -1.395 13.775 0.802 1.00 61.23 C ATOM 1041 CG ARG A 66 -2.497 14.495 1.583 1.00 32.42 C ATOM 1042 CD ARG A 66 -3.281 13.542 2.483 1.00 11.11 C ATOM 1043 NE ARG A 66 -4.152 12.645 1.721 1.00 74.30 N ATOM 1044 CZ ARG A 66 -3.895 11.388 1.479 1.00 52.34 C ATOM 1045 NH1 ARG A 66 -2.778 10.850 1.853 1.00 34.31 N ATOM 1046 NH2 ARG A 66 -4.760 10.672 0.847 1.00 2.10 N ATOM 0 H ARG A 66 -2.121 14.507 -1.559 1.00 55.30 H new ATOM 0 HA ARG A 66 -0.252 15.566 0.454 1.00 1.50 H new ATOM 0 HB2 ARG A 66 -1.842 12.980 0.205 1.00 61.23 H new ATOM 0 HB3 ARG A 66 -0.712 13.299 1.506 1.00 61.23 H new ATOM 0 HG2 ARG A 66 -2.054 15.284 2.190 1.00 32.42 H new ATOM 0 HG3 ARG A 66 -3.180 14.977 0.884 1.00 32.42 H new ATOM 0 HD2 ARG A 66 -2.584 12.950 3.076 1.00 11.11 H new ATOM 0 HD3 ARG A 66 -3.883 14.121 3.183 1.00 11.11 H new ATOM 0 HE ARG A 66 -5.022 13.030 1.353 1.00 74.30 H new ATOM 0 HH11 ARG A 66 -2.082 11.410 2.345 1.00 34.31 H new ATOM 0 HH12 ARG A 66 -2.594 9.866 1.655 1.00 34.31 H new ATOM 0 HH21 ARG A 66 -5.639 11.088 0.539 1.00 2.10 H new ATOM 0 HH22 ARG A 66 -4.566 9.689 0.655 1.00 2.10 H new ATOM 1060 N VAL A 67 1.827 14.578 -0.435 1.00 53.03 N ATOM 1061 CA VAL A 67 3.093 14.018 -0.928 1.00 43.41 C ATOM 1062 C VAL A 67 3.478 12.734 -0.173 1.00 33.43 C ATOM 1063 O VAL A 67 3.885 11.742 -0.782 1.00 32.13 O ATOM 1064 CB VAL A 67 4.249 15.045 -0.818 1.00 73.55 C ATOM 1065 CG1 VAL A 67 5.544 14.481 -1.405 1.00 2.35 C ATOM 1066 CG2 VAL A 67 3.869 16.361 -1.499 1.00 14.42 C ATOM 0 H VAL A 67 1.931 15.445 0.092 1.00 53.03 H new ATOM 0 HA VAL A 67 2.936 13.773 -1.978 1.00 43.41 H new ATOM 0 HB VAL A 67 4.422 15.246 0.239 1.00 73.55 H new ATOM 0 HG11 VAL A 67 6.338 15.223 -1.314 1.00 2.35 H new ATOM 0 HG12 VAL A 67 5.827 13.579 -0.863 1.00 2.35 H new ATOM 0 HG13 VAL A 67 5.392 14.239 -2.457 1.00 2.35 H new ATOM 0 HG21 VAL A 67 4.694 17.068 -1.410 1.00 14.42 H new ATOM 0 HG22 VAL A 67 3.659 16.178 -2.553 1.00 14.42 H new ATOM 0 HG23 VAL A 67 2.982 16.776 -1.020 1.00 14.42 H new ATOM 1076 N HIS A 68 3.366 12.758 1.159 1.00 30.53 N ATOM 1077 CA HIS A 68 3.622 11.557 1.962 1.00 44.21 C ATOM 1078 C HIS A 68 2.361 10.682 2.054 1.00 50.02 C ATOM 1079 O HIS A 68 1.357 11.073 2.659 1.00 64.34 O ATOM 1080 CB HIS A 68 4.155 11.911 3.369 1.00 41.40 C ATOM 1081 CG HIS A 68 3.228 12.733 4.226 1.00 62.34 C ATOM 1082 ND1 HIS A 68 3.252 14.109 4.257 1.00 14.32 N ATOM 1083 CD2 HIS A 68 2.264 12.363 5.110 1.00 33.41 C ATOM 1084 CE1 HIS A 68 2.354 14.550 5.115 1.00 62.13 C ATOM 1085 NE2 HIS A 68 1.741 13.515 5.644 1.00 21.10 N ATOM 0 H HIS A 68 3.104 13.583 1.698 1.00 30.53 H new ATOM 0 HA HIS A 68 4.399 10.984 1.456 1.00 44.21 H new ATOM 0 HB2 HIS A 68 4.383 10.984 3.896 1.00 41.40 H new ATOM 0 HB3 HIS A 68 5.094 12.453 3.257 1.00 41.40 H new ATOM 0 HD2 HIS A 68 1.965 11.353 5.348 1.00 33.41 H new ATOM 0 HE1 HIS A 68 2.156 15.587 5.344 1.00 62.13 H new ATOM 0 HE2 HIS A 68 0.996 13.560 6.340 1.00 21.10 H new ATOM 1094 N VAL A 69 2.419 9.505 1.437 1.00 22.03 N ATOM 1095 CA VAL A 69 1.284 8.580 1.417 1.00 60.34 C ATOM 1096 C VAL A 69 0.963 8.058 2.827 1.00 65.22 C ATOM 1097 O VAL A 69 1.860 7.736 3.611 1.00 55.21 O ATOM 1098 CB VAL A 69 1.555 7.382 0.469 1.00 50.44 C ATOM 1099 CG1 VAL A 69 0.316 6.496 0.340 1.00 54.13 C ATOM 1100 CG2 VAL A 69 2.020 7.871 -0.907 1.00 33.41 C ATOM 0 H VAL A 69 3.243 9.166 0.941 1.00 22.03 H new ATOM 0 HA VAL A 69 0.424 9.137 1.046 1.00 60.34 H new ATOM 0 HB VAL A 69 2.354 6.782 0.904 1.00 50.44 H new ATOM 0 HG11 VAL A 69 0.532 5.664 -0.330 1.00 54.13 H new ATOM 0 HG12 VAL A 69 0.041 6.110 1.322 1.00 54.13 H new ATOM 0 HG13 VAL A 69 -0.510 7.082 -0.064 1.00 54.13 H new ATOM 0 HG21 VAL A 69 2.204 7.014 -1.555 1.00 33.41 H new ATOM 0 HG22 VAL A 69 1.248 8.501 -1.349 1.00 33.41 H new ATOM 0 HG23 VAL A 69 2.939 8.447 -0.797 1.00 33.41 H new ATOM 1110 N THR A 70 -0.322 7.987 3.146 1.00 54.24 N ATOM 1111 CA THR A 70 -0.765 7.553 4.475 1.00 71.20 C ATOM 1112 C THR A 70 -1.284 6.112 4.452 1.00 50.31 C ATOM 1113 O THR A 70 -1.675 5.599 3.403 1.00 3.34 O ATOM 1114 CB THR A 70 -1.878 8.472 5.038 1.00 24.41 C ATOM 1115 OG1 THR A 70 -3.083 8.331 4.269 1.00 51.41 O ATOM 1116 CG2 THR A 70 -1.435 9.936 5.026 1.00 50.13 C ATOM 0 H THR A 70 -1.081 8.223 2.506 1.00 54.24 H new ATOM 0 HA THR A 70 0.110 7.613 5.122 1.00 71.20 H new ATOM 0 HB THR A 70 -2.070 8.170 6.068 1.00 24.41 H new ATOM 0 HG1 THR A 70 -2.864 8.337 3.314 1.00 51.41 H new ATOM 0 HG21 THR A 70 -2.233 10.561 5.426 1.00 50.13 H new ATOM 0 HG22 THR A 70 -0.542 10.051 5.640 1.00 50.13 H new ATOM 0 HG23 THR A 70 -1.213 10.241 4.003 1.00 50.13 H new ATOM 1124 N GLN A 71 -1.298 5.471 5.617 1.00 20.04 N ATOM 1125 CA GLN A 71 -1.775 4.090 5.739 1.00 12.23 C ATOM 1126 C GLN A 71 -3.205 3.944 5.195 1.00 11.01 C ATOM 1127 O GLN A 71 -3.543 2.947 4.552 1.00 14.32 O ATOM 1128 CB GLN A 71 -1.728 3.656 7.208 1.00 64.03 C ATOM 1129 CG GLN A 71 -2.240 2.246 7.452 1.00 75.21 C ATOM 1130 CD GLN A 71 -2.303 1.896 8.925 1.00 51.30 C ATOM 1131 OE1 GLN A 71 -1.515 2.380 9.729 1.00 43.43 O ATOM 1132 NE2 GLN A 71 -3.257 1.072 9.294 1.00 53.01 N ATOM 0 H GLN A 71 -0.984 5.884 6.495 1.00 20.04 H new ATOM 0 HA GLN A 71 -1.122 3.449 5.146 1.00 12.23 H new ATOM 0 HB2 GLN A 71 -0.700 3.725 7.564 1.00 64.03 H new ATOM 0 HB3 GLN A 71 -2.319 4.354 7.802 1.00 64.03 H new ATOM 0 HG2 GLN A 71 -3.233 2.143 7.015 1.00 75.21 H new ATOM 0 HG3 GLN A 71 -1.592 1.534 6.941 1.00 75.21 H new ATOM 0 HE21 GLN A 71 -3.896 0.687 8.598 1.00 53.01 H new ATOM 0 HE22 GLN A 71 -3.359 0.817 10.276 1.00 53.01 H new ATOM 1141 N GLU A 72 -4.029 4.960 5.453 1.00 44.43 N ATOM 1142 CA GLU A 72 -5.418 4.986 4.980 1.00 63.25 C ATOM 1143 C GLU A 72 -5.508 4.730 3.466 1.00 52.14 C ATOM 1144 O GLU A 72 -6.395 4.018 2.997 1.00 23.43 O ATOM 1145 CB GLU A 72 -6.067 6.336 5.315 1.00 43.03 C ATOM 1146 CG GLU A 72 -6.152 6.630 6.809 1.00 73.14 C ATOM 1147 CD GLU A 72 -6.857 7.942 7.110 1.00 43.41 C ATOM 1148 OE1 GLU A 72 -8.052 8.065 6.768 1.00 24.31 O ATOM 1149 OE2 GLU A 72 -6.227 8.848 7.699 1.00 33.13 O ATOM 0 H GLU A 72 -3.758 5.783 5.991 1.00 44.43 H new ATOM 0 HA GLU A 72 -5.953 4.186 5.491 1.00 63.25 H new ATOM 0 HB2 GLU A 72 -5.499 7.130 4.831 1.00 43.03 H new ATOM 0 HB3 GLU A 72 -7.072 6.359 4.893 1.00 43.03 H new ATOM 0 HG2 GLU A 72 -6.680 5.816 7.306 1.00 73.14 H new ATOM 0 HG3 GLU A 72 -5.146 6.659 7.227 1.00 73.14 H new ATOM 1156 N ASP A 73 -4.572 5.300 2.714 1.00 32.01 N ATOM 1157 CA ASP A 73 -4.551 5.147 1.255 1.00 4.43 C ATOM 1158 C ASP A 73 -4.312 3.686 0.851 1.00 21.44 C ATOM 1159 O ASP A 73 -4.973 3.162 -0.049 1.00 71.41 O ATOM 1160 CB ASP A 73 -3.468 6.045 0.650 1.00 1.32 C ATOM 1161 CG ASP A 73 -3.651 7.500 1.035 1.00 15.12 C ATOM 1162 OD1 ASP A 73 -4.785 8.009 0.921 1.00 63.02 O ATOM 1163 OD2 ASP A 73 -2.670 8.140 1.472 1.00 34.45 O ATOM 0 H ASP A 73 -3.815 5.874 3.087 1.00 32.01 H new ATOM 0 HA ASP A 73 -5.525 5.447 0.869 1.00 4.43 H new ATOM 0 HB2 ASP A 73 -2.488 5.703 0.982 1.00 1.32 H new ATOM 0 HB3 ASP A 73 -3.487 5.953 -0.436 1.00 1.32 H new ATOM 1168 N PHE A 74 -3.373 3.029 1.531 1.00 34.44 N ATOM 1169 CA PHE A 74 -3.065 1.624 1.257 1.00 22.44 C ATOM 1170 C PHE A 74 -4.273 0.712 1.533 1.00 22.41 C ATOM 1171 O PHE A 74 -4.658 -0.082 0.680 1.00 54.45 O ATOM 1172 CB PHE A 74 -1.858 1.162 2.083 1.00 63.25 C ATOM 1173 CG PHE A 74 -0.543 1.723 1.607 1.00 65.14 C ATOM 1174 CD1 PHE A 74 0.202 1.057 0.642 1.00 41.14 C ATOM 1175 CD2 PHE A 74 -0.048 2.908 2.126 1.00 54.24 C ATOM 1176 CE1 PHE A 74 1.409 1.564 0.203 1.00 10.01 C ATOM 1177 CE2 PHE A 74 1.158 3.418 1.690 1.00 52.32 C ATOM 1178 CZ PHE A 74 1.890 2.744 0.729 1.00 3.55 C ATOM 0 H PHE A 74 -2.813 3.445 2.275 1.00 34.44 H new ATOM 0 HA PHE A 74 -2.821 1.547 0.197 1.00 22.44 H new ATOM 0 HB2 PHE A 74 -2.010 1.450 3.123 1.00 63.25 H new ATOM 0 HB3 PHE A 74 -1.808 0.073 2.058 1.00 63.25 H new ATOM 0 HD1 PHE A 74 -0.168 0.130 0.229 1.00 41.14 H new ATOM 0 HD2 PHE A 74 -0.612 3.438 2.879 1.00 54.24 H new ATOM 0 HE1 PHE A 74 1.975 1.037 -0.551 1.00 10.01 H new ATOM 0 HE2 PHE A 74 1.531 4.345 2.100 1.00 52.32 H new ATOM 0 HZ PHE A 74 2.836 3.141 0.392 1.00 3.55 H new ATOM 1188 N GLU A 75 -4.875 0.830 2.715 1.00 40.13 N ATOM 1189 CA GLU A 75 -6.025 -0.018 3.068 1.00 52.25 C ATOM 1190 C GLU A 75 -7.278 0.327 2.239 1.00 12.44 C ATOM 1191 O GLU A 75 -8.081 -0.556 1.930 1.00 51.31 O ATOM 1192 CB GLU A 75 -6.313 0.037 4.577 1.00 71.53 C ATOM 1193 CG GLU A 75 -6.441 1.435 5.164 1.00 1.54 C ATOM 1194 CD GLU A 75 -6.608 1.398 6.676 1.00 73.30 C ATOM 1195 OE1 GLU A 75 -5.609 1.136 7.387 1.00 52.14 O ATOM 1196 OE2 GLU A 75 -7.740 1.586 7.163 1.00 35.00 O ATOM 0 H GLU A 75 -4.595 1.492 3.439 1.00 40.13 H new ATOM 0 HA GLU A 75 -5.756 -1.044 2.817 1.00 52.25 H new ATOM 0 HB2 GLU A 75 -7.236 -0.508 4.774 1.00 71.53 H new ATOM 0 HB3 GLU A 75 -5.515 -0.488 5.102 1.00 71.53 H new ATOM 0 HG2 GLU A 75 -5.556 2.019 4.910 1.00 1.54 H new ATOM 0 HG3 GLU A 75 -7.296 1.941 4.716 1.00 1.54 H new ATOM 1203 N MET A 76 -7.437 1.599 1.866 1.00 4.11 N ATOM 1204 CA MET A 76 -8.490 1.989 0.916 1.00 15.23 C ATOM 1205 C MET A 76 -8.240 1.343 -0.457 1.00 31.35 C ATOM 1206 O MET A 76 -9.177 0.983 -1.171 1.00 1.23 O ATOM 1207 CB MET A 76 -8.573 3.519 0.776 1.00 61.33 C ATOM 1208 CG MET A 76 -9.315 4.202 1.922 1.00 13.32 C ATOM 1209 SD MET A 76 -11.048 3.701 2.015 1.00 4.12 S ATOM 1210 CE MET A 76 -11.637 4.188 0.394 1.00 24.53 C ATOM 0 H MET A 76 -6.860 2.370 2.200 1.00 4.11 H new ATOM 0 HA MET A 76 -9.443 1.632 1.307 1.00 15.23 H new ATOM 0 HB2 MET A 76 -7.563 3.925 0.716 1.00 61.33 H new ATOM 0 HB3 MET A 76 -9.070 3.762 -0.163 1.00 61.33 H new ATOM 0 HG2 MET A 76 -8.820 3.965 2.864 1.00 13.32 H new ATOM 0 HG3 MET A 76 -9.258 5.283 1.795 1.00 13.32 H new ATOM 0 HE1 MET A 76 -12.723 4.279 0.414 1.00 24.53 H new ATOM 0 HE2 MET A 76 -11.197 5.147 0.120 1.00 24.53 H new ATOM 0 HE3 MET A 76 -11.349 3.434 -0.339 1.00 24.53 H new ATOM 1220 N ALA A 77 -6.968 1.200 -0.819 1.00 70.33 N ATOM 1221 CA ALA A 77 -6.591 0.483 -2.037 1.00 60.12 C ATOM 1222 C ALA A 77 -6.879 -1.020 -1.903 1.00 71.22 C ATOM 1223 O ALA A 77 -7.433 -1.637 -2.810 1.00 71.30 O ATOM 1224 CB ALA A 77 -5.121 0.727 -2.360 1.00 62.50 C ATOM 0 H ALA A 77 -6.180 1.570 -0.288 1.00 70.33 H new ATOM 0 HA ALA A 77 -7.195 0.865 -2.860 1.00 60.12 H new ATOM 0 HB1 ALA A 77 -4.854 0.188 -3.269 1.00 62.50 H new ATOM 0 HB2 ALA A 77 -4.953 1.794 -2.509 1.00 62.50 H new ATOM 0 HB3 ALA A 77 -4.504 0.374 -1.534 1.00 62.50 H new ATOM 1230 N VAL A 78 -6.516 -1.596 -0.757 1.00 31.33 N ATOM 1231 CA VAL A 78 -6.795 -3.011 -0.471 1.00 33.31 C ATOM 1232 C VAL A 78 -8.296 -3.319 -0.587 1.00 12.24 C ATOM 1233 O VAL A 78 -8.691 -4.325 -1.177 1.00 13.12 O ATOM 1234 CB VAL A 78 -6.303 -3.416 0.945 1.00 25.34 C ATOM 1235 CG1 VAL A 78 -6.684 -4.860 1.267 1.00 63.32 C ATOM 1236 CG2 VAL A 78 -4.794 -3.222 1.066 1.00 64.22 C ATOM 0 H VAL A 78 -6.027 -1.107 -0.008 1.00 31.33 H new ATOM 0 HA VAL A 78 -6.250 -3.592 -1.215 1.00 33.31 H new ATOM 0 HB VAL A 78 -6.795 -2.767 1.669 1.00 25.34 H new ATOM 0 HG11 VAL A 78 -6.327 -5.117 2.264 1.00 63.32 H new ATOM 0 HG12 VAL A 78 -7.768 -4.967 1.231 1.00 63.32 H new ATOM 0 HG13 VAL A 78 -6.229 -5.528 0.536 1.00 63.32 H new ATOM 0 HG21 VAL A 78 -4.469 -3.511 2.065 1.00 64.22 H new ATOM 0 HG22 VAL A 78 -4.287 -3.841 0.326 1.00 64.22 H new ATOM 0 HG23 VAL A 78 -4.547 -2.175 0.893 1.00 64.22 H new ATOM 1246 N ALA A 79 -9.125 -2.443 -0.024 1.00 11.43 N ATOM 1247 CA ALA A 79 -10.584 -2.574 -0.134 1.00 64.23 C ATOM 1248 C ALA A 79 -11.043 -2.512 -1.601 1.00 21.31 C ATOM 1249 O ALA A 79 -12.007 -3.171 -1.991 1.00 43.35 O ATOM 1250 CB ALA A 79 -11.273 -1.489 0.685 1.00 75.23 C ATOM 0 H ALA A 79 -8.816 -1.633 0.514 1.00 11.43 H new ATOM 0 HA ALA A 79 -10.866 -3.550 0.262 1.00 64.23 H new ATOM 0 HB1 ALA A 79 -12.354 -1.597 0.595 1.00 75.23 H new ATOM 0 HB2 ALA A 79 -10.984 -1.585 1.732 1.00 75.23 H new ATOM 0 HB3 ALA A 79 -10.974 -0.508 0.314 1.00 75.23 H new ATOM 1256 N LYS A 80 -10.335 -1.719 -2.400 1.00 13.12 N ATOM 1257 CA LYS A 80 -10.632 -1.567 -3.831 1.00 71.34 C ATOM 1258 C LYS A 80 -10.156 -2.791 -4.644 1.00 23.24 C ATOM 1259 O LYS A 80 -10.790 -3.184 -5.621 1.00 52.55 O ATOM 1260 CB LYS A 80 -9.951 -0.291 -4.350 1.00 31.24 C ATOM 1261 CG LYS A 80 -10.225 0.027 -5.817 1.00 61.12 C ATOM 1262 CD LYS A 80 -9.500 1.299 -6.252 1.00 11.33 C ATOM 1263 CE LYS A 80 -9.802 1.661 -7.699 1.00 22.24 C ATOM 1264 NZ LYS A 80 -9.100 2.905 -8.107 1.00 31.54 N ATOM 0 H LYS A 80 -9.541 -1.163 -2.081 1.00 13.12 H new ATOM 0 HA LYS A 80 -11.712 -1.493 -3.955 1.00 71.34 H new ATOM 0 HB2 LYS A 80 -10.279 0.552 -3.742 1.00 31.24 H new ATOM 0 HB3 LYS A 80 -8.875 -0.387 -4.208 1.00 31.24 H new ATOM 0 HG2 LYS A 80 -9.904 -0.808 -6.439 1.00 61.12 H new ATOM 0 HG3 LYS A 80 -11.297 0.146 -5.972 1.00 61.12 H new ATOM 0 HD2 LYS A 80 -9.794 2.124 -5.603 1.00 11.33 H new ATOM 0 HD3 LYS A 80 -8.425 1.164 -6.129 1.00 11.33 H new ATOM 0 HE2 LYS A 80 -9.500 0.841 -8.351 1.00 22.24 H new ATOM 0 HE3 LYS A 80 -10.877 1.790 -7.826 1.00 22.24 H new ATOM 0 HZ1 LYS A 80 -9.607 3.345 -8.901 1.00 31.54 H new ATOM 0 HZ2 LYS A 80 -9.072 3.567 -7.305 1.00 31.54 H new ATOM 0 HZ3 LYS A 80 -8.129 2.675 -8.401 1.00 31.54 H new ATOM 1278 N VAL A 81 -9.036 -3.385 -4.226 1.00 42.11 N ATOM 1279 CA VAL A 81 -8.463 -4.555 -4.911 1.00 41.03 C ATOM 1280 C VAL A 81 -9.207 -5.856 -4.551 1.00 62.35 C ATOM 1281 O VAL A 81 -9.533 -6.662 -5.427 1.00 43.03 O ATOM 1282 CB VAL A 81 -6.954 -4.715 -4.570 1.00 75.54 C ATOM 1283 CG1 VAL A 81 -6.368 -5.969 -5.227 1.00 52.32 C ATOM 1284 CG2 VAL A 81 -6.172 -3.470 -4.990 1.00 3.33 C ATOM 0 H VAL A 81 -8.503 -3.076 -3.413 1.00 42.11 H new ATOM 0 HA VAL A 81 -8.577 -4.378 -5.980 1.00 41.03 H new ATOM 0 HB VAL A 81 -6.865 -4.831 -3.490 1.00 75.54 H new ATOM 0 HG11 VAL A 81 -5.312 -6.054 -4.971 1.00 52.32 H new ATOM 0 HG12 VAL A 81 -6.901 -6.850 -4.869 1.00 52.32 H new ATOM 0 HG13 VAL A 81 -6.474 -5.896 -6.309 1.00 52.32 H new ATOM 0 HG21 VAL A 81 -5.119 -3.602 -4.743 1.00 3.33 H new ATOM 0 HG22 VAL A 81 -6.277 -3.320 -6.065 1.00 3.33 H new ATOM 0 HG23 VAL A 81 -6.562 -2.600 -4.462 1.00 3.33 H new ATOM 1294 N MET A 82 -9.461 -6.062 -3.260 1.00 4.13 N ATOM 1295 CA MET A 82 -10.143 -7.276 -2.787 1.00 12.42 C ATOM 1296 C MET A 82 -11.672 -7.153 -2.911 1.00 60.54 C ATOM 1297 O MET A 82 -12.365 -8.143 -3.155 1.00 23.11 O ATOM 1298 CB MET A 82 -9.761 -7.561 -1.325 1.00 64.31 C ATOM 1299 CG MET A 82 -8.270 -7.802 -1.111 1.00 50.31 C ATOM 1300 SD MET A 82 -7.642 -9.213 -2.047 1.00 12.22 S ATOM 1301 CE MET A 82 -8.586 -10.560 -1.337 1.00 60.32 C ATOM 0 H MET A 82 -9.207 -5.408 -2.520 1.00 4.13 H new ATOM 0 HA MET A 82 -9.819 -8.104 -3.418 1.00 12.42 H new ATOM 0 HB2 MET A 82 -10.075 -6.720 -0.707 1.00 64.31 H new ATOM 0 HB3 MET A 82 -10.314 -8.435 -0.979 1.00 64.31 H new ATOM 0 HG2 MET A 82 -7.718 -6.907 -1.399 1.00 50.31 H new ATOM 0 HG3 MET A 82 -8.082 -7.965 -0.050 1.00 50.31 H new ATOM 0 HE1 MET A 82 -8.063 -11.501 -1.509 1.00 60.32 H new ATOM 0 HE2 MET A 82 -8.700 -10.399 -0.265 1.00 60.32 H new ATOM 0 HE3 MET A 82 -9.570 -10.601 -1.805 1.00 60.32 H new ATOM 1311 N GLN A 83 -12.184 -5.929 -2.748 1.00 60.30 N ATOM 1312 CA GLN A 83 -13.627 -5.649 -2.868 1.00 24.14 C ATOM 1313 C GLN A 83 -14.473 -6.540 -1.939 1.00 21.23 C ATOM 1314 O GLN A 83 -15.613 -6.884 -2.252 1.00 21.01 O ATOM 1315 CB GLN A 83 -14.070 -5.795 -4.332 1.00 11.43 C ATOM 1316 CG GLN A 83 -13.382 -4.801 -5.263 1.00 60.23 C ATOM 1317 CD GLN A 83 -13.776 -4.968 -6.719 1.00 74.03 C ATOM 1318 OE1 GLN A 83 -14.734 -4.363 -7.190 1.00 0.30 O ATOM 1319 NE2 GLN A 83 -13.040 -5.779 -7.445 1.00 3.00 N ATOM 0 H GLN A 83 -11.619 -5.108 -2.531 1.00 60.30 H new ATOM 0 HA GLN A 83 -13.795 -4.621 -2.548 1.00 24.14 H new ATOM 0 HB2 GLN A 83 -13.858 -6.809 -4.671 1.00 11.43 H new ATOM 0 HB3 GLN A 83 -15.149 -5.657 -4.395 1.00 11.43 H new ATOM 0 HG2 GLN A 83 -13.623 -3.787 -4.943 1.00 60.23 H new ATOM 0 HG3 GLN A 83 -12.302 -4.916 -5.171 1.00 60.23 H new ATOM 0 HE21 GLN A 83 -12.250 -6.267 -7.022 1.00 3.00 H new ATOM 0 HE22 GLN A 83 -13.258 -5.921 -8.431 1.00 3.00 H new ATOM 1328 N LYS A 84 -13.915 -6.875 -0.774 1.00 75.50 N ATOM 1329 CA LYS A 84 -14.606 -7.707 0.218 1.00 74.23 C ATOM 1330 C LYS A 84 -15.794 -6.950 0.842 1.00 70.44 C ATOM 1331 O LYS A 84 -15.632 -6.209 1.813 1.00 25.41 O ATOM 1332 CB LYS A 84 -13.617 -8.148 1.313 1.00 3.12 C ATOM 1333 CG LYS A 84 -14.150 -9.196 2.300 1.00 11.25 C ATOM 1334 CD LYS A 84 -14.310 -10.583 1.664 1.00 51.34 C ATOM 1335 CE LYS A 84 -15.712 -10.819 1.111 1.00 30.20 C ATOM 1336 NZ LYS A 84 -16.719 -10.964 2.193 1.00 2.11 N ATOM 0 H LYS A 84 -12.980 -6.581 -0.491 1.00 75.50 H new ATOM 0 HA LYS A 84 -14.998 -8.591 -0.286 1.00 74.23 H new ATOM 0 HB2 LYS A 84 -12.724 -8.548 0.832 1.00 3.12 H new ATOM 0 HB3 LYS A 84 -13.309 -7.267 1.876 1.00 3.12 H new ATOM 0 HG2 LYS A 84 -13.471 -9.267 3.150 1.00 11.25 H new ATOM 0 HG3 LYS A 84 -15.113 -8.866 2.689 1.00 11.25 H new ATOM 0 HD2 LYS A 84 -13.583 -10.695 0.860 1.00 51.34 H new ATOM 0 HD3 LYS A 84 -14.084 -11.347 2.407 1.00 51.34 H new ATOM 0 HE2 LYS A 84 -15.992 -9.987 0.464 1.00 30.20 H new ATOM 0 HE3 LYS A 84 -15.712 -11.717 0.493 1.00 30.20 H new ATOM 0 HZ1 LYS A 84 -17.604 -11.337 1.795 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 -16.360 -11.620 2.916 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 -16.899 -10.036 2.627 1.00 2.11 H new ATOM 1350 N ASP A 85 -16.981 -7.132 0.257 1.00 53.33 N ATOM 1351 CA ASP A 85 -18.205 -6.441 0.701 1.00 43.25 C ATOM 1352 C ASP A 85 -18.108 -4.914 0.512 1.00 2.22 C ATOM 1353 O ASP A 85 -18.794 -4.147 1.193 1.00 10.13 O ATOM 1354 CB ASP A 85 -18.517 -6.771 2.168 1.00 54.21 C ATOM 1355 CG ASP A 85 -18.637 -8.263 2.409 1.00 20.35 C ATOM 1356 OD1 ASP A 85 -19.520 -8.900 1.798 1.00 54.33 O ATOM 1357 OD2 ASP A 85 -17.839 -8.811 3.197 1.00 33.33 O ATOM 0 H ASP A 85 -17.125 -7.759 -0.535 1.00 53.33 H new ATOM 0 HA ASP A 85 -19.020 -6.803 0.074 1.00 43.25 H new ATOM 0 HB2 ASP A 85 -17.731 -6.364 2.805 1.00 54.21 H new ATOM 0 HB3 ASP A 85 -19.447 -6.282 2.458 1.00 54.21 H new ATOM 1362 N SER A 86 -17.266 -4.485 -0.429 1.00 72.53 N ATOM 1363 CA SER A 86 -17.094 -3.052 -0.733 1.00 71.43 C ATOM 1364 C SER A 86 -18.323 -2.476 -1.456 1.00 14.20 C ATOM 1365 O SER A 86 -18.592 -2.888 -2.606 1.00 37.96 O ATOM 1366 CB SER A 86 -15.841 -2.824 -1.588 1.00 33.32 C ATOM 1367 OG SER A 86 -14.664 -3.216 -0.894 1.00 24.14 O ATOM 1368 OXT SER A 86 -19.011 -1.605 -0.878 1.00 37.96 O ATOM 0 H SER A 86 -16.689 -5.105 -0.998 1.00 72.53 H new ATOM 0 HA SER A 86 -16.979 -2.533 0.218 1.00 71.43 H new ATOM 0 HB2 SER A 86 -15.924 -3.389 -2.516 1.00 33.32 H new ATOM 0 HB3 SER A 86 -15.771 -1.771 -1.861 1.00 33.32 H new ATOM 0 HG SER A 86 -13.876 -2.964 -1.419 1.00 24.14 H new TER 1374 SER A 86