USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 747 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 78 THR OG1 : rot 180:sc= -0.403 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 2.1: A 75 THR OG1 : rot 17:sc= 0.00106 USER MOD Set 2.2: A 79 TYR OH : rot 12:sc= 2.48 USER MOD Set 3.1: A 24 HIS : no HD1:sc= -0.667 K(o=-1.2,f=-0.45) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 1 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.17) USER MOD Single : A 1 HIS N :NH3+ -117:sc= -2.12! (180deg=-5.09!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.767 USER MOD Single : A 7 SER OG : rot 180:sc= -1.7! USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.055) USER MOD Single : A 31 THR OG1 : rot -61:sc= 0.127 USER MOD Single : A 32 GLN : amide:sc= -0.737 X(o=-0.74,f=-1) USER MOD Single : A 34 SER OG : rot 127:sc= 1.37 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 162:sc= -0.0184 (180deg=-0.435) USER MOD Single : A 48 HIS : no HD1:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -161:sc= -3.04 (180deg=-5.05!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.119 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.0074) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 98 THR OG1 : rot 33:sc= 0.411 USER MOD Single : A 102 LYS NZ :NH3+ -116:sc= -0.151 (180deg=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 16.967 6.321 0.311 1.00 7.66 N ATOM 2 CA HIS A 1 16.216 7.213 -0.557 1.00 6.17 C ATOM 3 C HIS A 1 16.010 6.550 -1.919 1.00 4.88 C ATOM 4 O HIS A 1 16.481 7.054 -2.937 1.00 5.09 O ATOM 5 CB HIS A 1 16.903 8.577 -0.659 1.00 6.75 C ATOM 6 CG HIS A 1 16.044 9.733 -0.208 1.00 7.24 C ATOM 7 ND1 HIS A 1 16.574 10.912 0.287 1.00 8.33 N ATOM 8 CD2 HIS A 1 14.688 9.880 -0.183 1.00 7.46 C ATOM 9 CE1 HIS A 1 15.571 11.724 0.594 1.00 9.01 C ATOM 10 NE2 HIS A 1 14.405 11.082 0.302 1.00 8.57 N ATOM 0 H1 HIS A 1 16.381 6.058 1.129 1.00 7.66 H new ATOM 0 H2 HIS A 1 17.230 5.464 -0.216 1.00 7.66 H new ATOM 0 H3 HIS A 1 17.828 6.802 0.642 1.00 7.66 H new ATOM 0 HA HIS A 1 15.231 7.398 -0.129 1.00 6.17 H new ATOM 0 HB2 HIS A 1 17.814 8.559 -0.060 1.00 6.75 H new ATOM 0 HB3 HIS A 1 17.205 8.744 -1.693 1.00 6.75 H new ATOM 0 HD2 HIS A 1 13.967 9.143 -0.504 1.00 7.46 H new ATOM 0 HE1 HIS A 1 15.662 12.719 1.003 1.00 9.01 H new ATOM 0 HE2 HIS A 1 13.468 11.463 0.435 1.00 8.57 H new ATOM 20 N PRO A 2 15.284 5.400 -1.895 1.00 4.45 N ATOM 21 CA PRO A 2 15.008 4.663 -3.116 1.00 3.98 C ATOM 22 C PRO A 2 13.933 5.363 -3.949 1.00 3.23 C ATOM 23 O PRO A 2 13.596 6.517 -3.688 1.00 3.48 O ATOM 24 CB PRO A 2 14.591 3.277 -2.652 1.00 5.10 C ATOM 25 CG PRO A 2 14.201 3.426 -1.191 1.00 5.91 C ATOM 26 CD PRO A 2 14.710 4.774 -0.707 1.00 5.55 C ATOM 0 HA PRO A 2 15.873 4.605 -3.777 1.00 3.98 H new ATOM 0 HB2 PRO A 2 13.755 2.902 -3.243 1.00 5.10 H new ATOM 0 HB3 PRO A 2 15.408 2.564 -2.767 1.00 5.10 H new ATOM 0 HG2 PRO A 2 13.119 3.363 -1.077 1.00 5.91 H new ATOM 0 HG3 PRO A 2 14.632 2.620 -0.597 1.00 5.91 H new ATOM 0 HD2 PRO A 2 13.902 5.377 -0.292 1.00 5.55 H new ATOM 0 HD3 PRO A 2 15.456 4.657 0.079 1.00 5.55 H new ATOM 34 N LYS A 3 13.424 4.636 -4.932 1.00 2.94 N ATOM 35 CA LYS A 3 12.393 5.173 -5.804 1.00 2.72 C ATOM 36 C LYS A 3 11.514 4.029 -6.312 1.00 1.70 C ATOM 37 O LYS A 3 12.015 3.064 -6.888 1.00 1.72 O ATOM 38 CB LYS A 3 13.020 6.010 -6.921 1.00 4.17 C ATOM 39 CG LYS A 3 12.157 7.231 -7.243 1.00 4.08 C ATOM 40 CD LYS A 3 12.825 8.518 -6.755 1.00 4.99 C ATOM 41 CE LYS A 3 11.809 9.439 -6.075 1.00 4.71 C ATOM 42 NZ LYS A 3 12.310 9.877 -4.753 1.00 5.82 N ATOM 0 H LYS A 3 13.706 3.679 -5.144 1.00 2.94 H new ATOM 0 HA LYS A 3 11.744 5.853 -5.253 1.00 2.72 H new ATOM 0 HB2 LYS A 3 14.017 6.334 -6.622 1.00 4.17 H new ATOM 0 HB3 LYS A 3 13.139 5.398 -7.815 1.00 4.17 H new ATOM 0 HG2 LYS A 3 11.990 7.289 -8.318 1.00 4.08 H new ATOM 0 HG3 LYS A 3 11.179 7.124 -6.773 1.00 4.08 H new ATOM 0 HD2 LYS A 3 13.625 8.274 -6.056 1.00 4.99 H new ATOM 0 HD3 LYS A 3 13.284 9.036 -7.597 1.00 4.99 H new ATOM 0 HE2 LYS A 3 11.619 10.308 -6.705 1.00 4.71 H new ATOM 0 HE3 LYS A 3 10.859 8.918 -5.956 1.00 4.71 H new ATOM 0 HZ1 LYS A 3 11.609 10.501 -4.305 1.00 5.82 H new ATOM 0 HZ2 LYS A 3 12.469 9.045 -4.149 1.00 5.82 H new ATOM 0 HZ3 LYS A 3 13.205 10.393 -4.874 1.00 5.82 H new ATOM 56 N LEU A 4 10.218 4.174 -6.081 1.00 1.56 N ATOM 57 CA LEU A 4 9.264 3.165 -6.508 1.00 1.30 C ATOM 58 C LEU A 4 9.161 3.179 -8.034 1.00 1.08 C ATOM 59 O LEU A 4 8.628 4.123 -8.615 1.00 1.09 O ATOM 60 CB LEU A 4 7.922 3.362 -5.800 1.00 2.25 C ATOM 61 CG LEU A 4 6.867 2.283 -6.049 1.00 1.08 C ATOM 62 CD1 LEU A 4 5.739 2.812 -6.935 1.00 1.14 C ATOM 63 CD2 LEU A 4 7.504 1.016 -6.626 1.00 1.22 C ATOM 0 H LEU A 4 9.806 4.975 -5.603 1.00 1.56 H new ATOM 0 HA LEU A 4 9.607 2.171 -6.220 1.00 1.30 H new ATOM 0 HB2 LEU A 4 8.105 3.422 -4.727 1.00 2.25 H new ATOM 0 HB3 LEU A 4 7.509 4.323 -6.107 1.00 2.25 H new ATOM 0 HG LEU A 4 6.423 2.013 -5.091 1.00 1.08 H new ATOM 0 HD11 LEU A 4 5.003 2.024 -7.096 1.00 1.14 H new ATOM 0 HD12 LEU A 4 5.261 3.661 -6.447 1.00 1.14 H new ATOM 0 HD13 LEU A 4 6.148 3.128 -7.895 1.00 1.14 H new ATOM 0 HD21 LEU A 4 6.732 0.265 -6.794 1.00 1.22 H new ATOM 0 HD22 LEU A 4 7.992 1.252 -7.572 1.00 1.22 H new ATOM 0 HD23 LEU A 4 8.242 0.628 -5.924 1.00 1.22 H new ATOM 75 N VAL A 5 9.681 2.122 -8.640 1.00 1.00 N ATOM 76 CA VAL A 5 9.655 2.001 -10.088 1.00 0.82 C ATOM 77 C VAL A 5 8.240 2.290 -10.594 1.00 0.70 C ATOM 78 O VAL A 5 7.998 3.322 -11.217 1.00 0.84 O ATOM 79 CB VAL A 5 10.170 0.623 -10.508 1.00 0.78 C ATOM 80 CG1 VAL A 5 10.031 0.422 -12.018 1.00 0.72 C ATOM 81 CG2 VAL A 5 11.619 0.420 -10.058 1.00 0.94 C ATOM 0 H VAL A 5 10.123 1.341 -8.155 1.00 1.00 H new ATOM 0 HA VAL A 5 10.320 2.734 -10.544 1.00 0.82 H new ATOM 0 HB VAL A 5 9.556 -0.130 -10.013 1.00 0.78 H new ATOM 0 HG11 VAL A 5 10.404 -0.565 -12.290 1.00 0.72 H new ATOM 0 HG12 VAL A 5 8.981 0.503 -12.301 1.00 0.72 H new ATOM 0 HG13 VAL A 5 10.608 1.185 -12.541 1.00 0.72 H new ATOM 0 HG21 VAL A 5 11.962 -0.567 -10.369 1.00 0.94 H new ATOM 0 HG22 VAL A 5 12.251 1.183 -10.512 1.00 0.94 H new ATOM 0 HG23 VAL A 5 11.677 0.499 -8.972 1.00 0.94 H new ATOM 91 N SER A 6 7.342 1.358 -10.307 1.00 0.61 N ATOM 92 CA SER A 6 5.957 1.499 -10.725 1.00 0.49 C ATOM 93 C SER A 6 5.050 0.665 -9.820 1.00 0.48 C ATOM 94 O SER A 6 5.468 -0.365 -9.294 1.00 0.58 O ATOM 95 CB SER A 6 5.778 1.082 -12.186 1.00 0.44 C ATOM 96 OG SER A 6 6.917 1.407 -12.978 1.00 0.55 O ATOM 0 H SER A 6 7.547 0.503 -9.790 1.00 0.61 H new ATOM 0 HA SER A 6 5.679 2.549 -10.638 1.00 0.49 H new ATOM 0 HB2 SER A 6 5.596 0.009 -12.237 1.00 0.44 H new ATOM 0 HB3 SER A 6 4.897 1.575 -12.598 1.00 0.44 H new ATOM 0 HG SER A 6 6.764 1.123 -13.903 1.00 0.55 H new ATOM 102 N SER A 7 3.823 1.142 -9.664 1.00 0.40 N ATOM 103 CA SER A 7 2.853 0.452 -8.831 1.00 0.39 C ATOM 104 C SER A 7 1.434 0.850 -9.242 1.00 0.30 C ATOM 105 O SER A 7 1.246 1.811 -9.988 1.00 0.31 O ATOM 106 CB SER A 7 3.082 0.759 -7.350 1.00 0.48 C ATOM 107 OG SER A 7 2.962 2.150 -7.068 1.00 0.52 O ATOM 0 H SER A 7 3.479 1.997 -10.100 1.00 0.40 H new ATOM 0 HA SER A 7 2.979 -0.621 -8.976 1.00 0.39 H new ATOM 0 HB2 SER A 7 2.362 0.204 -6.749 1.00 0.48 H new ATOM 0 HB3 SER A 7 4.074 0.414 -7.058 1.00 0.48 H new ATOM 0 HG SER A 7 3.113 2.304 -6.112 1.00 0.52 H new ATOM 113 N THR A 8 0.471 0.093 -8.738 1.00 0.33 N ATOM 114 CA THR A 8 -0.925 0.355 -9.043 1.00 0.32 C ATOM 115 C THR A 8 -1.793 0.134 -7.802 1.00 0.33 C ATOM 116 O THR A 8 -2.731 -0.660 -7.829 1.00 0.38 O ATOM 117 CB THR A 8 -1.324 -0.528 -10.228 1.00 0.42 C ATOM 118 OG1 THR A 8 -0.593 0.013 -11.325 1.00 0.49 O ATOM 119 CG2 THR A 8 -2.789 -0.343 -10.628 1.00 0.69 C ATOM 0 H THR A 8 0.630 -0.703 -8.120 1.00 0.33 H new ATOM 0 HA THR A 8 -1.079 1.396 -9.328 1.00 0.32 H new ATOM 0 HB THR A 8 -1.145 -1.574 -9.978 1.00 0.42 H new ATOM 0 HG1 THR A 8 -0.791 -0.501 -12.135 1.00 0.49 H new ATOM 0 HG21 THR A 8 -3.020 -0.992 -11.473 1.00 0.69 H new ATOM 0 HG22 THR A 8 -3.431 -0.601 -9.786 1.00 0.69 H new ATOM 0 HG23 THR A 8 -2.961 0.696 -10.911 1.00 0.69 H new ATOM 127 N PRO A 9 -1.439 0.872 -6.716 1.00 0.29 N ATOM 128 CA PRO A 9 -2.175 0.765 -5.468 1.00 0.30 C ATOM 129 C PRO A 9 -3.522 1.485 -5.561 1.00 0.32 C ATOM 130 O PRO A 9 -4.570 0.844 -5.624 1.00 0.40 O ATOM 131 CB PRO A 9 -1.254 1.362 -4.416 1.00 0.30 C ATOM 132 CG PRO A 9 -0.239 2.199 -5.177 1.00 0.29 C ATOM 133 CD PRO A 9 -0.335 1.823 -6.647 1.00 0.27 C ATOM 0 HA PRO A 9 -2.430 -0.265 -5.218 1.00 0.30 H new ATOM 0 HB2 PRO A 9 -1.814 1.974 -3.709 1.00 0.30 H new ATOM 0 HB3 PRO A 9 -0.761 0.579 -3.839 1.00 0.30 H new ATOM 0 HG2 PRO A 9 -0.441 3.261 -5.041 1.00 0.29 H new ATOM 0 HG3 PRO A 9 0.767 2.015 -4.801 1.00 0.29 H new ATOM 0 HD2 PRO A 9 -0.527 2.698 -7.268 1.00 0.27 H new ATOM 0 HD3 PRO A 9 0.594 1.378 -7.003 1.00 0.27 H new ATOM 141 N ALA A 10 -3.450 2.808 -5.567 1.00 0.33 N ATOM 142 CA ALA A 10 -4.651 3.623 -5.652 1.00 0.38 C ATOM 143 C ALA A 10 -4.256 5.099 -5.727 1.00 0.38 C ATOM 144 O ALA A 10 -4.865 5.943 -5.071 1.00 0.41 O ATOM 145 CB ALA A 10 -5.558 3.321 -4.456 1.00 0.41 C ATOM 0 H ALA A 10 -2.579 3.336 -5.514 1.00 0.33 H new ATOM 0 HA ALA A 10 -5.213 3.386 -6.555 1.00 0.38 H new ATOM 0 HB1 ALA A 10 -6.459 3.932 -4.519 1.00 0.41 H new ATOM 0 HB2 ALA A 10 -5.833 2.266 -4.465 1.00 0.41 H new ATOM 0 HB3 ALA A 10 -5.029 3.550 -3.531 1.00 0.41 H new ATOM 151 N GLU A 11 -3.238 5.366 -6.534 1.00 0.42 N ATOM 152 CA GLU A 11 -2.756 6.725 -6.703 1.00 0.54 C ATOM 153 C GLU A 11 -3.928 7.709 -6.702 1.00 0.57 C ATOM 154 O GLU A 11 -4.620 7.856 -7.709 1.00 0.63 O ATOM 155 CB GLU A 11 -1.929 6.858 -7.984 1.00 0.73 C ATOM 156 CG GLU A 11 -0.441 7.005 -7.663 1.00 0.82 C ATOM 157 CD GLU A 11 0.419 6.291 -8.709 1.00 1.34 C ATOM 158 OE1 GLU A 11 0.114 5.150 -9.086 1.00 2.45 O ATOM 159 OE2 GLU A 11 1.433 6.964 -9.133 1.00 1.84 O ATOM 0 H GLU A 11 -2.735 4.664 -7.077 1.00 0.42 H new ATOM 0 HA GLU A 11 -2.105 6.966 -5.862 1.00 0.54 H new ATOM 0 HB2 GLU A 11 -2.084 5.982 -8.614 1.00 0.73 H new ATOM 0 HB3 GLU A 11 -2.269 7.723 -8.553 1.00 0.73 H new ATOM 0 HG2 GLU A 11 -0.175 8.062 -7.628 1.00 0.82 H new ATOM 0 HG3 GLU A 11 -0.236 6.592 -6.675 1.00 0.82 H new ATOM 166 N GLY A 12 -4.114 8.357 -5.562 1.00 0.54 N ATOM 167 CA GLY A 12 -5.190 9.322 -5.416 1.00 0.59 C ATOM 168 C GLY A 12 -6.450 8.853 -6.147 1.00 0.65 C ATOM 169 O GLY A 12 -7.174 9.662 -6.727 1.00 0.80 O ATOM 0 H GLY A 12 -3.537 8.233 -4.730 1.00 0.54 H new ATOM 0 HA2 GLY A 12 -5.412 9.468 -4.359 1.00 0.59 H new ATOM 0 HA3 GLY A 12 -4.874 10.287 -5.811 1.00 0.59 H new ATOM 173 N SER A 13 -6.674 7.548 -6.096 1.00 0.63 N ATOM 174 CA SER A 13 -7.833 6.962 -6.745 1.00 0.71 C ATOM 175 C SER A 13 -9.109 7.366 -6.004 1.00 0.63 C ATOM 176 O SER A 13 -9.441 6.789 -4.971 1.00 0.64 O ATOM 177 CB SER A 13 -7.717 5.438 -6.809 1.00 0.85 C ATOM 178 OG SER A 13 -7.181 4.993 -8.052 1.00 1.26 O ATOM 0 H SER A 13 -6.072 6.880 -5.615 1.00 0.63 H new ATOM 0 HA SER A 13 -7.879 7.339 -7.767 1.00 0.71 H new ATOM 0 HB2 SER A 13 -7.082 5.089 -5.995 1.00 0.85 H new ATOM 0 HB3 SER A 13 -8.701 4.993 -6.659 1.00 0.85 H new ATOM 0 HG SER A 13 -7.122 4.015 -8.051 1.00 1.26 H new ATOM 184 N GLU A 14 -9.790 8.357 -6.562 1.00 0.64 N ATOM 185 CA GLU A 14 -11.022 8.846 -5.967 1.00 0.69 C ATOM 186 C GLU A 14 -12.230 8.368 -6.777 1.00 0.78 C ATOM 187 O GLU A 14 -12.344 8.672 -7.964 1.00 0.86 O ATOM 188 CB GLU A 14 -11.008 10.371 -5.853 1.00 0.83 C ATOM 189 CG GLU A 14 -9.722 10.859 -5.182 1.00 0.85 C ATOM 190 CD GLU A 14 -9.420 12.309 -5.566 1.00 1.08 C ATOM 191 OE1 GLU A 14 -10.338 13.141 -5.620 1.00 1.26 O ATOM 192 OE2 GLU A 14 -8.179 12.561 -5.811 1.00 1.82 O ATOM 0 H GLU A 14 -9.512 8.834 -7.419 1.00 0.64 H new ATOM 0 HA GLU A 14 -11.101 8.439 -4.959 1.00 0.69 H new ATOM 0 HB2 GLU A 14 -11.096 10.814 -6.845 1.00 0.83 H new ATOM 0 HB3 GLU A 14 -11.872 10.704 -5.278 1.00 0.83 H new ATOM 0 HG2 GLU A 14 -9.819 10.778 -4.099 1.00 0.85 H new ATOM 0 HG3 GLU A 14 -8.889 10.220 -5.476 1.00 0.85 H new ATOM 199 N GLY A 15 -13.098 7.629 -6.104 1.00 0.83 N ATOM 200 CA GLY A 15 -14.292 7.106 -6.747 1.00 0.99 C ATOM 201 C GLY A 15 -14.778 5.833 -6.049 1.00 0.83 C ATOM 202 O GLY A 15 -15.972 5.673 -5.804 1.00 0.97 O ATOM 0 H GLY A 15 -12.999 7.379 -5.120 1.00 0.83 H new ATOM 0 HA2 GLY A 15 -15.080 7.859 -6.727 1.00 0.99 H new ATOM 0 HA3 GLY A 15 -14.081 6.893 -7.795 1.00 0.99 H new ATOM 206 N ALA A 16 -13.825 4.962 -5.749 1.00 0.84 N ATOM 207 CA ALA A 16 -14.141 3.709 -5.085 1.00 0.94 C ATOM 208 C ALA A 16 -12.842 3.005 -4.689 1.00 1.20 C ATOM 209 O ALA A 16 -11.763 3.386 -5.141 1.00 1.80 O ATOM 210 CB ALA A 16 -15.013 2.850 -6.002 1.00 1.28 C ATOM 0 H ALA A 16 -12.835 5.099 -5.953 1.00 0.84 H new ATOM 0 HA ALA A 16 -14.709 3.891 -4.173 1.00 0.94 H new ATOM 0 HB1 ALA A 16 -15.250 1.910 -5.503 1.00 1.28 H new ATOM 0 HB2 ALA A 16 -15.936 3.383 -6.230 1.00 1.28 H new ATOM 0 HB3 ALA A 16 -14.475 2.644 -6.927 1.00 1.28 H new ATOM 216 N ALA A 17 -12.987 1.990 -3.850 1.00 0.97 N ATOM 217 CA ALA A 17 -11.839 1.230 -3.388 1.00 1.22 C ATOM 218 C ALA A 17 -11.423 0.234 -4.472 1.00 1.11 C ATOM 219 O ALA A 17 -12.271 -0.423 -5.075 1.00 1.08 O ATOM 220 CB ALA A 17 -12.179 0.542 -2.064 1.00 1.54 C ATOM 0 H ALA A 17 -13.883 1.676 -3.478 1.00 0.97 H new ATOM 0 HA ALA A 17 -10.992 1.890 -3.203 1.00 1.22 H new ATOM 0 HB1 ALA A 17 -11.317 -0.028 -1.718 1.00 1.54 H new ATOM 0 HB2 ALA A 17 -12.439 1.294 -1.319 1.00 1.54 H new ATOM 0 HB3 ALA A 17 -13.024 -0.131 -2.210 1.00 1.54 H new ATOM 226 N PRO A 18 -10.084 0.150 -4.693 1.00 1.10 N ATOM 227 CA PRO A 18 -9.545 -0.756 -5.694 1.00 1.06 C ATOM 228 C PRO A 18 -9.589 -2.204 -5.203 1.00 1.03 C ATOM 229 O PRO A 18 -9.401 -2.468 -4.017 1.00 1.54 O ATOM 230 CB PRO A 18 -8.132 -0.259 -5.953 1.00 1.14 C ATOM 231 CG PRO A 18 -7.770 0.611 -4.761 1.00 1.22 C ATOM 232 CD PRO A 18 -9.050 0.913 -3.999 1.00 1.21 C ATOM 0 HA PRO A 18 -10.127 -0.760 -6.616 1.00 1.06 H new ATOM 0 HB2 PRO A 18 -7.437 -1.093 -6.053 1.00 1.14 H new ATOM 0 HB3 PRO A 18 -8.082 0.310 -6.881 1.00 1.14 H new ATOM 0 HG2 PRO A 18 -7.055 0.099 -4.118 1.00 1.22 H new ATOM 0 HG3 PRO A 18 -7.296 1.535 -5.093 1.00 1.22 H new ATOM 0 HD2 PRO A 18 -8.969 0.612 -2.955 1.00 1.21 H new ATOM 0 HD3 PRO A 18 -9.273 1.980 -4.007 1.00 1.21 H new ATOM 240 N ALA A 19 -9.840 -3.105 -6.142 1.00 0.70 N ATOM 241 CA ALA A 19 -9.911 -4.520 -5.821 1.00 0.71 C ATOM 242 C ALA A 19 -8.698 -4.909 -4.974 1.00 0.63 C ATOM 243 O ALA A 19 -8.846 -5.485 -3.897 1.00 0.62 O ATOM 244 CB ALA A 19 -10.005 -5.333 -7.113 1.00 0.86 C ATOM 0 H ALA A 19 -9.997 -2.882 -7.125 1.00 0.70 H new ATOM 0 HA ALA A 19 -10.804 -4.735 -5.235 1.00 0.71 H new ATOM 0 HB1 ALA A 19 -10.058 -6.395 -6.872 1.00 0.86 H new ATOM 0 HB2 ALA A 19 -10.900 -5.040 -7.663 1.00 0.86 H new ATOM 0 HB3 ALA A 19 -9.124 -5.144 -7.727 1.00 0.86 H new ATOM 250 N LYS A 20 -7.525 -4.577 -5.492 1.00 0.60 N ATOM 251 CA LYS A 20 -6.286 -4.883 -4.797 1.00 0.56 C ATOM 252 C LYS A 20 -5.196 -3.911 -5.253 1.00 0.53 C ATOM 253 O LYS A 20 -5.231 -3.417 -6.378 1.00 0.62 O ATOM 254 CB LYS A 20 -5.915 -6.356 -4.987 1.00 0.64 C ATOM 255 CG LYS A 20 -5.737 -6.689 -6.470 1.00 0.71 C ATOM 256 CD LYS A 20 -7.039 -7.221 -7.072 1.00 1.37 C ATOM 257 CE LYS A 20 -6.845 -8.629 -7.638 1.00 1.88 C ATOM 258 NZ LYS A 20 -7.528 -9.629 -6.787 1.00 3.32 N ATOM 0 H LYS A 20 -7.406 -4.099 -6.385 1.00 0.60 H new ATOM 0 HA LYS A 20 -6.408 -4.744 -3.723 1.00 0.56 H new ATOM 0 HB2 LYS A 20 -4.993 -6.575 -4.448 1.00 0.64 H new ATOM 0 HB3 LYS A 20 -6.693 -6.989 -4.559 1.00 0.64 H new ATOM 0 HG2 LYS A 20 -5.419 -5.798 -7.011 1.00 0.71 H new ATOM 0 HG3 LYS A 20 -4.948 -7.431 -6.588 1.00 0.71 H new ATOM 0 HD2 LYS A 20 -7.817 -7.236 -6.309 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -7.379 -6.551 -7.862 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -7.239 -8.677 -8.653 1.00 1.88 H new ATOM 0 HE3 LYS A 20 -5.781 -8.860 -7.698 1.00 1.88 H new ATOM 0 HZ1 LYS A 20 -7.386 -10.579 -7.186 1.00 3.32 H new ATOM 0 HZ2 LYS A 20 -7.133 -9.594 -5.826 1.00 3.32 H new ATOM 0 HZ3 LYS A 20 -8.546 -9.417 -6.751 1.00 3.32 H new ATOM 272 N ILE A 21 -4.254 -3.665 -4.354 1.00 0.46 N ATOM 273 CA ILE A 21 -3.156 -2.761 -4.649 1.00 0.45 C ATOM 274 C ILE A 21 -2.053 -3.527 -5.383 1.00 0.48 C ATOM 275 O ILE A 21 -1.815 -4.700 -5.102 1.00 0.47 O ATOM 276 CB ILE A 21 -2.677 -2.064 -3.373 1.00 0.43 C ATOM 277 CG1 ILE A 21 -3.509 -0.814 -3.085 1.00 0.40 C ATOM 278 CG2 ILE A 21 -1.181 -1.753 -3.447 1.00 0.45 C ATOM 279 CD1 ILE A 21 -4.500 -1.064 -1.948 1.00 0.42 C ATOM 0 H ILE A 21 -4.229 -4.076 -3.421 1.00 0.46 H new ATOM 0 HA ILE A 21 -3.488 -1.964 -5.314 1.00 0.45 H new ATOM 0 HB ILE A 21 -2.823 -2.747 -2.536 1.00 0.43 H new ATOM 0 HG12 ILE A 21 -2.850 0.013 -2.822 1.00 0.40 H new ATOM 0 HG13 ILE A 21 -4.049 -0.517 -3.984 1.00 0.40 H new ATOM 0 HG21 ILE A 21 -0.866 -1.258 -2.528 1.00 0.45 H new ATOM 0 HG22 ILE A 21 -0.622 -2.681 -3.569 1.00 0.45 H new ATOM 0 HG23 ILE A 21 -0.987 -1.098 -4.297 1.00 0.45 H new ATOM 0 HD11 ILE A 21 -5.079 -0.159 -1.764 1.00 0.42 H new ATOM 0 HD12 ILE A 21 -5.173 -1.875 -2.224 1.00 0.42 H new ATOM 0 HD13 ILE A 21 -3.955 -1.336 -1.044 1.00 0.42 H new ATOM 291 N GLU A 22 -1.409 -2.831 -6.309 1.00 0.54 N ATOM 292 CA GLU A 22 -0.338 -3.431 -7.085 1.00 0.59 C ATOM 293 C GLU A 22 0.967 -2.660 -6.873 1.00 0.56 C ATOM 294 O GLU A 22 0.947 -1.458 -6.617 1.00 0.48 O ATOM 295 CB GLU A 22 -0.703 -3.492 -8.570 1.00 0.59 C ATOM 296 CG GLU A 22 -0.781 -4.941 -9.056 1.00 0.65 C ATOM 297 CD GLU A 22 -0.778 -5.007 -10.585 1.00 0.84 C ATOM 298 OE1 GLU A 22 -0.361 -4.045 -11.246 1.00 1.51 O ATOM 299 OE2 GLU A 22 -1.229 -6.107 -11.084 1.00 1.56 O ATOM 0 H GLU A 22 -1.609 -1.858 -6.539 1.00 0.54 H new ATOM 0 HA GLU A 22 -0.194 -4.454 -6.738 1.00 0.59 H new ATOM 0 HB2 GLU A 22 -1.661 -2.998 -8.733 1.00 0.59 H new ATOM 0 HB3 GLU A 22 0.040 -2.948 -9.154 1.00 0.59 H new ATOM 0 HG2 GLU A 22 0.064 -5.506 -8.662 1.00 0.65 H new ATOM 0 HG3 GLU A 22 -1.686 -5.410 -8.670 1.00 0.65 H new ATOM 306 N LEU A 23 2.071 -3.385 -6.988 1.00 0.63 N ATOM 307 CA LEU A 23 3.381 -2.784 -6.812 1.00 0.65 C ATOM 308 C LEU A 23 4.392 -3.504 -7.708 1.00 0.71 C ATOM 309 O LEU A 23 4.308 -4.717 -7.892 1.00 0.79 O ATOM 310 CB LEU A 23 3.771 -2.770 -5.333 1.00 0.74 C ATOM 311 CG LEU A 23 2.826 -2.012 -4.398 1.00 0.75 C ATOM 312 CD1 LEU A 23 2.937 -2.536 -2.964 1.00 0.83 C ATOM 313 CD2 LEU A 23 3.070 -0.504 -4.477 1.00 0.73 C ATOM 0 H LEU A 23 2.084 -4.382 -7.201 1.00 0.63 H new ATOM 0 HA LEU A 23 3.365 -1.739 -7.123 1.00 0.65 H new ATOM 0 HB2 LEU A 23 3.843 -3.801 -4.987 1.00 0.74 H new ATOM 0 HB3 LEU A 23 4.766 -2.334 -5.244 1.00 0.74 H new ATOM 0 HG LEU A 23 1.803 -2.191 -4.728 1.00 0.75 H new ATOM 0 HD11 LEU A 23 2.255 -1.981 -2.320 1.00 0.83 H new ATOM 0 HD12 LEU A 23 2.676 -3.594 -2.942 1.00 0.83 H new ATOM 0 HD13 LEU A 23 3.959 -2.407 -2.608 1.00 0.83 H new ATOM 0 HD21 LEU A 23 2.386 0.011 -3.803 1.00 0.73 H new ATOM 0 HD22 LEU A 23 4.098 -0.286 -4.187 1.00 0.73 H new ATOM 0 HD23 LEU A 23 2.901 -0.161 -5.498 1.00 0.73 H new ATOM 325 N HIS A 24 5.323 -2.726 -8.240 1.00 0.70 N ATOM 326 CA HIS A 24 6.348 -3.275 -9.111 1.00 0.75 C ATOM 327 C HIS A 24 7.710 -2.684 -8.736 1.00 0.81 C ATOM 328 O HIS A 24 7.784 -1.592 -8.175 1.00 0.80 O ATOM 329 CB HIS A 24 5.989 -3.049 -10.581 1.00 0.70 C ATOM 330 CG HIS A 24 4.928 -3.987 -11.105 1.00 0.71 C ATOM 331 ND1 HIS A 24 5.228 -5.200 -11.699 1.00 0.77 N ATOM 332 CD2 HIS A 24 3.569 -3.877 -11.117 1.00 0.75 C ATOM 333 CE1 HIS A 24 4.092 -5.786 -12.050 1.00 0.78 C ATOM 334 NE2 HIS A 24 3.065 -4.965 -11.688 1.00 0.77 N ATOM 0 H HIS A 24 5.389 -1.720 -8.085 1.00 0.70 H new ATOM 0 HA HIS A 24 6.408 -4.355 -8.973 1.00 0.75 H new ATOM 0 HB2 HIS A 24 5.646 -2.022 -10.707 1.00 0.70 H new ATOM 0 HB3 HIS A 24 6.889 -3.161 -11.186 1.00 0.70 H new ATOM 0 HD2 HIS A 24 2.999 -3.046 -10.728 1.00 0.75 H new ATOM 0 HE1 HIS A 24 3.997 -6.745 -12.537 1.00 0.78 H new ATOM 0 HE2 HIS A 24 2.073 -5.155 -11.832 1.00 0.77 H new ATOM 342 N PHE A 25 8.752 -3.434 -9.061 1.00 0.91 N ATOM 343 CA PHE A 25 10.107 -3.000 -8.765 1.00 0.98 C ATOM 344 C PHE A 25 11.112 -3.646 -9.722 1.00 1.06 C ATOM 345 O PHE A 25 11.425 -4.828 -9.592 1.00 1.33 O ATOM 346 CB PHE A 25 10.419 -3.450 -7.336 1.00 1.08 C ATOM 347 CG PHE A 25 10.035 -2.428 -6.265 1.00 1.32 C ATOM 348 CD1 PHE A 25 8.735 -2.293 -5.890 1.00 1.64 C ATOM 349 CD2 PHE A 25 10.994 -1.656 -5.685 1.00 2.69 C ATOM 350 CE1 PHE A 25 8.378 -1.345 -4.894 1.00 1.84 C ATOM 351 CE2 PHE A 25 10.637 -0.709 -4.691 1.00 2.94 C ATOM 352 CZ PHE A 25 9.336 -0.572 -4.316 1.00 1.95 C ATOM 0 H PHE A 25 8.686 -4.339 -9.526 1.00 0.91 H new ATOM 0 HA PHE A 25 10.184 -1.918 -8.877 1.00 0.98 H new ATOM 0 HB2 PHE A 25 9.894 -4.384 -7.137 1.00 1.08 H new ATOM 0 HB3 PHE A 25 11.485 -3.661 -7.257 1.00 1.08 H new ATOM 0 HD1 PHE A 25 7.974 -2.906 -6.349 1.00 1.64 H new ATOM 0 HD2 PHE A 25 12.027 -1.764 -5.981 1.00 2.69 H new ATOM 0 HE1 PHE A 25 7.346 -1.238 -4.596 1.00 1.84 H new ATOM 0 HE2 PHE A 25 11.398 -0.096 -4.231 1.00 2.94 H new ATOM 0 HZ PHE A 25 9.065 0.150 -3.560 1.00 1.95 H new ATOM 362 N SER A 26 11.588 -2.842 -10.661 1.00 0.99 N ATOM 363 CA SER A 26 12.550 -3.321 -11.639 1.00 1.07 C ATOM 364 C SER A 26 13.889 -3.610 -10.958 1.00 1.30 C ATOM 365 O SER A 26 14.796 -4.167 -11.573 1.00 1.42 O ATOM 366 CB SER A 26 12.737 -2.306 -12.769 1.00 1.19 C ATOM 367 OG SER A 26 12.856 -2.940 -14.040 1.00 1.57 O ATOM 0 H SER A 26 11.326 -1.862 -10.765 1.00 0.99 H new ATOM 0 HA SER A 26 12.165 -4.243 -12.075 1.00 1.07 H new ATOM 0 HB2 SER A 26 11.890 -1.620 -12.784 1.00 1.19 H new ATOM 0 HB3 SER A 26 13.628 -1.709 -12.577 1.00 1.19 H new ATOM 0 HG SER A 26 12.972 -2.259 -14.735 1.00 1.57 H new ATOM 373 N GLU A 27 13.971 -3.217 -9.695 1.00 1.43 N ATOM 374 CA GLU A 27 15.184 -3.427 -8.923 1.00 1.78 C ATOM 375 C GLU A 27 15.156 -4.802 -8.253 1.00 1.51 C ATOM 376 O GLU A 27 15.882 -5.709 -8.656 1.00 2.74 O ATOM 377 CB GLU A 27 15.375 -2.316 -7.888 1.00 2.22 C ATOM 378 CG GLU A 27 16.026 -1.084 -8.519 1.00 3.77 C ATOM 379 CD GLU A 27 17.504 -0.988 -8.138 1.00 3.75 C ATOM 380 OE1 GLU A 27 18.176 -2.041 -8.201 1.00 3.58 O ATOM 381 OE2 GLU A 27 17.929 0.135 -7.791 1.00 4.67 O ATOM 0 H GLU A 27 13.217 -2.754 -9.187 1.00 1.43 H new ATOM 0 HA GLU A 27 16.035 -3.394 -9.604 1.00 1.78 H new ATOM 0 HB2 GLU A 27 14.410 -2.043 -7.460 1.00 2.22 H new ATOM 0 HB3 GLU A 27 15.995 -2.680 -7.069 1.00 2.22 H new ATOM 0 HG2 GLU A 27 15.929 -1.133 -9.604 1.00 3.77 H new ATOM 0 HG3 GLU A 27 15.504 -0.185 -8.192 1.00 3.77 H new ATOM 388 N ASN A 28 14.309 -4.914 -7.240 1.00 1.76 N ATOM 389 CA ASN A 28 14.176 -6.163 -6.510 1.00 1.81 C ATOM 390 C ASN A 28 13.263 -5.948 -5.302 1.00 1.75 C ATOM 391 O ASN A 28 13.515 -5.072 -4.476 1.00 2.49 O ATOM 392 CB ASN A 28 15.533 -6.648 -5.997 1.00 3.45 C ATOM 393 CG ASN A 28 15.663 -8.166 -6.140 1.00 4.18 C ATOM 394 OD1 ASN A 28 16.639 -8.684 -6.659 1.00 5.70 O ATOM 395 ND2 ASN A 28 14.630 -8.846 -5.654 1.00 3.50 N ATOM 0 H ASN A 28 13.708 -4.160 -6.908 1.00 1.76 H new ATOM 0 HA ASN A 28 13.760 -6.908 -7.189 1.00 1.81 H new ATOM 0 HB2 ASN A 28 16.332 -6.157 -6.552 1.00 3.45 H new ATOM 0 HB3 ASN A 28 15.652 -6.366 -4.951 1.00 3.45 H new ATOM 0 HD21 ASN A 28 14.622 -9.865 -5.702 1.00 3.50 H new ATOM 0 HD22 ASN A 28 13.845 -8.349 -5.233 1.00 3.50 H new ATOM 402 N LEU A 29 12.220 -6.763 -5.236 1.00 1.90 N ATOM 403 CA LEU A 29 11.268 -6.673 -4.142 1.00 3.25 C ATOM 404 C LEU A 29 11.411 -7.902 -3.244 1.00 2.73 C ATOM 405 O LEU A 29 10.429 -8.584 -2.956 1.00 4.13 O ATOM 406 CB LEU A 29 9.850 -6.468 -4.682 1.00 5.05 C ATOM 407 CG LEU A 29 9.084 -5.269 -4.116 1.00 6.85 C ATOM 408 CD1 LEU A 29 7.684 -5.178 -4.724 1.00 8.82 C ATOM 409 CD2 LEU A 29 9.044 -5.316 -2.587 1.00 7.49 C ATOM 0 H LEU A 29 12.014 -7.489 -5.922 1.00 1.90 H new ATOM 0 HA LEU A 29 11.480 -5.800 -3.524 1.00 3.25 H new ATOM 0 HB2 LEU A 29 9.907 -6.359 -5.765 1.00 5.05 H new ATOM 0 HB3 LEU A 29 9.272 -7.370 -4.482 1.00 5.05 H new ATOM 0 HG LEU A 29 9.616 -4.360 -4.396 1.00 6.85 H new ATOM 0 HD11 LEU A 29 7.161 -4.318 -4.305 1.00 8.82 H new ATOM 0 HD12 LEU A 29 7.764 -5.063 -5.805 1.00 8.82 H new ATOM 0 HD13 LEU A 29 7.128 -6.087 -4.495 1.00 8.82 H new ATOM 0 HD21 LEU A 29 8.494 -4.453 -2.211 1.00 7.49 H new ATOM 0 HD22 LEU A 29 8.548 -6.231 -2.264 1.00 7.49 H new ATOM 0 HD23 LEU A 29 10.061 -5.297 -2.196 1.00 7.49 H new ATOM 421 N VAL A 30 12.645 -8.149 -2.825 1.00 1.68 N ATOM 422 CA VAL A 30 12.930 -9.284 -1.965 1.00 1.71 C ATOM 423 C VAL A 30 12.011 -9.237 -0.744 1.00 1.75 C ATOM 424 O VAL A 30 11.587 -8.162 -0.323 1.00 2.55 O ATOM 425 CB VAL A 30 14.414 -9.301 -1.596 1.00 2.64 C ATOM 426 CG1 VAL A 30 14.606 -9.597 -0.107 1.00 2.89 C ATOM 427 CG2 VAL A 30 15.182 -10.306 -2.458 1.00 3.95 C ATOM 0 H VAL A 30 13.458 -7.582 -3.066 1.00 1.68 H new ATOM 0 HA VAL A 30 12.728 -10.219 -2.488 1.00 1.71 H new ATOM 0 HB VAL A 30 14.820 -8.309 -1.795 1.00 2.64 H new ATOM 0 HG11 VAL A 30 15.670 -9.603 0.128 1.00 2.89 H new ATOM 0 HG12 VAL A 30 14.108 -8.828 0.484 1.00 2.89 H new ATOM 0 HG13 VAL A 30 14.177 -10.571 0.129 1.00 2.89 H new ATOM 0 HG21 VAL A 30 16.235 -10.298 -2.175 1.00 3.95 H new ATOM 0 HG22 VAL A 30 14.773 -11.304 -2.305 1.00 3.95 H new ATOM 0 HG23 VAL A 30 15.086 -10.032 -3.509 1.00 3.95 H new ATOM 437 N THR A 31 11.730 -10.416 -0.208 1.00 1.84 N ATOM 438 CA THR A 31 10.868 -10.522 0.957 1.00 2.59 C ATOM 439 C THR A 31 11.708 -10.609 2.234 1.00 2.58 C ATOM 440 O THR A 31 11.632 -11.596 2.965 1.00 3.46 O ATOM 441 CB THR A 31 9.945 -11.725 0.754 1.00 3.48 C ATOM 442 OG1 THR A 31 9.087 -11.700 1.892 1.00 4.29 O ATOM 443 CG2 THR A 31 10.685 -13.059 0.876 1.00 3.68 C ATOM 0 H THR A 31 12.084 -11.306 -0.559 1.00 1.84 H new ATOM 0 HA THR A 31 10.247 -9.634 1.073 1.00 2.59 H new ATOM 0 HB THR A 31 9.474 -11.659 -0.227 1.00 3.48 H new ATOM 0 HG1 THR A 31 9.622 -11.801 2.707 1.00 4.29 H new ATOM 0 HG21 THR A 31 9.984 -13.879 0.723 1.00 3.68 H new ATOM 0 HG22 THR A 31 11.471 -13.109 0.123 1.00 3.68 H new ATOM 0 HG23 THR A 31 11.128 -13.140 1.869 1.00 3.68 H new ATOM 451 N GLN A 32 12.487 -9.562 2.464 1.00 1.92 N ATOM 452 CA GLN A 32 13.339 -9.508 3.640 1.00 2.20 C ATOM 453 C GLN A 32 12.673 -8.679 4.740 1.00 1.92 C ATOM 454 O GLN A 32 12.458 -9.170 5.847 1.00 2.55 O ATOM 455 CB GLN A 32 14.719 -8.948 3.291 1.00 2.57 C ATOM 456 CG GLN A 32 15.801 -9.558 4.184 1.00 3.42 C ATOM 457 CD GLN A 32 15.797 -11.085 4.084 1.00 4.13 C ATOM 458 OE1 GLN A 32 15.209 -11.785 4.892 1.00 5.19 O ATOM 459 NE2 GLN A 32 16.485 -11.560 3.050 1.00 4.30 N ATOM 0 H GLN A 32 12.546 -8.745 1.856 1.00 1.92 H new ATOM 0 HA GLN A 32 13.478 -10.523 4.011 1.00 2.20 H new ATOM 0 HB2 GLN A 32 14.946 -9.156 2.245 1.00 2.57 H new ATOM 0 HB3 GLN A 32 14.715 -7.864 3.407 1.00 2.57 H new ATOM 0 HG2 GLN A 32 16.778 -9.173 3.892 1.00 3.42 H new ATOM 0 HG3 GLN A 32 15.636 -9.257 5.219 1.00 3.42 H new ATOM 0 HE21 GLN A 32 16.954 -10.918 2.411 1.00 4.30 H new ATOM 0 HE22 GLN A 32 16.544 -12.567 2.896 1.00 4.30 H new ATOM 468 N PHE A 33 12.364 -7.437 4.397 1.00 1.57 N ATOM 469 CA PHE A 33 11.727 -6.535 5.342 1.00 1.55 C ATOM 470 C PHE A 33 10.631 -5.714 4.661 1.00 1.26 C ATOM 471 O PHE A 33 10.324 -4.604 5.092 1.00 1.47 O ATOM 472 CB PHE A 33 12.812 -5.589 5.857 1.00 2.06 C ATOM 473 CG PHE A 33 13.705 -6.196 6.941 1.00 2.51 C ATOM 474 CD1 PHE A 33 13.359 -6.080 8.251 1.00 3.16 C ATOM 475 CD2 PHE A 33 14.846 -6.851 6.594 1.00 3.24 C ATOM 476 CE1 PHE A 33 14.188 -6.644 9.257 1.00 3.54 C ATOM 477 CE2 PHE A 33 15.674 -7.414 7.601 1.00 3.65 C ATOM 478 CZ PHE A 33 15.328 -7.299 8.910 1.00 3.40 C ATOM 0 H PHE A 33 12.543 -7.034 3.477 1.00 1.57 H new ATOM 0 HA PHE A 33 11.268 -7.105 6.150 1.00 1.55 H new ATOM 0 HB2 PHE A 33 13.436 -5.278 5.019 1.00 2.06 H new ATOM 0 HB3 PHE A 33 12.338 -4.690 6.252 1.00 2.06 H new ATOM 0 HD1 PHE A 33 12.454 -5.559 8.526 1.00 3.16 H new ATOM 0 HD2 PHE A 33 15.122 -6.943 5.554 1.00 3.24 H new ATOM 0 HE1 PHE A 33 13.913 -6.553 10.297 1.00 3.54 H new ATOM 0 HE2 PHE A 33 16.580 -7.934 7.326 1.00 3.65 H new ATOM 0 HZ PHE A 33 15.958 -7.728 9.675 1.00 3.40 H new ATOM 488 N SER A 34 10.070 -6.292 3.609 1.00 1.01 N ATOM 489 CA SER A 34 9.014 -5.627 2.864 1.00 0.94 C ATOM 490 C SER A 34 7.659 -5.900 3.521 1.00 0.89 C ATOM 491 O SER A 34 7.441 -6.974 4.080 1.00 1.09 O ATOM 492 CB SER A 34 8.997 -6.084 1.404 1.00 1.30 C ATOM 493 OG SER A 34 10.312 -6.197 0.865 1.00 1.79 O ATOM 0 H SER A 34 10.327 -7.213 3.255 1.00 1.01 H new ATOM 0 HA SER A 34 9.209 -4.555 2.878 1.00 0.94 H new ATOM 0 HB2 SER A 34 8.491 -7.047 1.331 1.00 1.30 H new ATOM 0 HB3 SER A 34 8.421 -5.376 0.809 1.00 1.30 H new ATOM 0 HG SER A 34 10.433 -7.091 0.482 1.00 1.79 H new ATOM 499 N GLY A 35 6.783 -4.910 3.430 1.00 0.86 N ATOM 500 CA GLY A 35 5.455 -5.030 4.009 1.00 1.08 C ATOM 501 C GLY A 35 4.641 -3.755 3.783 1.00 1.01 C ATOM 502 O GLY A 35 5.206 -2.676 3.613 1.00 1.27 O ATOM 0 H GLY A 35 6.967 -4.021 2.964 1.00 0.86 H new ATOM 0 HA2 GLY A 35 4.937 -5.880 3.565 1.00 1.08 H new ATOM 0 HA3 GLY A 35 5.537 -5.229 5.078 1.00 1.08 H new ATOM 506 N ALA A 36 3.327 -3.921 3.788 1.00 0.78 N ATOM 507 CA ALA A 36 2.429 -2.797 3.586 1.00 0.73 C ATOM 508 C ALA A 36 1.373 -2.787 4.693 1.00 0.73 C ATOM 509 O ALA A 36 1.177 -3.791 5.377 1.00 0.83 O ATOM 510 CB ALA A 36 1.809 -2.883 2.190 1.00 0.84 C ATOM 0 H ALA A 36 2.862 -4.818 3.929 1.00 0.78 H new ATOM 0 HA ALA A 36 2.975 -1.855 3.643 1.00 0.73 H new ATOM 0 HB1 ALA A 36 1.135 -2.040 2.039 1.00 0.84 H new ATOM 0 HB2 ALA A 36 2.599 -2.856 1.439 1.00 0.84 H new ATOM 0 HB3 ALA A 36 1.251 -3.815 2.097 1.00 0.84 H new ATOM 516 N LYS A 37 0.721 -1.642 4.834 1.00 0.66 N ATOM 517 CA LYS A 37 -0.310 -1.489 5.846 1.00 0.69 C ATOM 518 C LYS A 37 -1.280 -0.388 5.417 1.00 0.63 C ATOM 519 O LYS A 37 -0.877 0.758 5.220 1.00 0.61 O ATOM 520 CB LYS A 37 0.319 -1.252 7.221 1.00 0.74 C ATOM 521 CG LYS A 37 0.281 -2.526 8.068 1.00 0.98 C ATOM 522 CD LYS A 37 1.645 -2.804 8.703 1.00 1.33 C ATOM 523 CE LYS A 37 1.492 -3.562 10.023 1.00 1.76 C ATOM 524 NZ LYS A 37 1.065 -4.956 9.772 1.00 2.56 N ATOM 0 H LYS A 37 0.887 -0.812 4.265 1.00 0.66 H new ATOM 0 HA LYS A 37 -0.890 -2.407 5.940 1.00 0.69 H new ATOM 0 HB2 LYS A 37 1.351 -0.921 7.101 1.00 0.74 H new ATOM 0 HB3 LYS A 37 -0.214 -0.453 7.736 1.00 0.74 H new ATOM 0 HG2 LYS A 37 -0.474 -2.426 8.848 1.00 0.98 H new ATOM 0 HG3 LYS A 37 -0.014 -3.371 7.446 1.00 0.98 H new ATOM 0 HD2 LYS A 37 2.259 -3.385 8.015 1.00 1.33 H new ATOM 0 HD3 LYS A 37 2.167 -1.863 8.878 1.00 1.33 H new ATOM 0 HE2 LYS A 37 2.438 -3.557 10.564 1.00 1.76 H new ATOM 0 HE3 LYS A 37 0.760 -3.059 10.655 1.00 1.76 H new ATOM 0 HZ1 LYS A 37 0.966 -5.457 10.678 1.00 2.56 H new ATOM 0 HZ2 LYS A 37 0.152 -4.955 9.275 1.00 2.56 H new ATOM 0 HZ3 LYS A 37 1.777 -5.437 9.187 1.00 2.56 H new ATOM 538 N LEU A 38 -2.541 -0.773 5.283 1.00 0.61 N ATOM 539 CA LEU A 38 -3.572 0.168 4.880 1.00 0.57 C ATOM 540 C LEU A 38 -4.188 0.809 6.126 1.00 0.60 C ATOM 541 O LEU A 38 -4.490 0.117 7.098 1.00 0.68 O ATOM 542 CB LEU A 38 -4.595 -0.515 3.970 1.00 0.58 C ATOM 543 CG LEU A 38 -5.879 0.271 3.695 1.00 0.57 C ATOM 544 CD1 LEU A 38 -5.566 1.727 3.348 1.00 0.59 C ATOM 545 CD2 LEU A 38 -6.717 -0.410 2.611 1.00 0.66 C ATOM 0 H LEU A 38 -2.872 -1.724 5.446 1.00 0.61 H new ATOM 0 HA LEU A 38 -3.140 0.974 4.287 1.00 0.57 H new ATOM 0 HB2 LEU A 38 -4.115 -0.733 3.016 1.00 0.58 H new ATOM 0 HB3 LEU A 38 -4.867 -1.472 4.416 1.00 0.58 H new ATOM 0 HG LEU A 38 -6.477 0.279 4.606 1.00 0.57 H new ATOM 0 HD11 LEU A 38 -6.495 2.263 3.157 1.00 0.59 H new ATOM 0 HD12 LEU A 38 -5.042 2.195 4.181 1.00 0.59 H new ATOM 0 HD13 LEU A 38 -4.938 1.762 2.458 1.00 0.59 H new ATOM 0 HD21 LEU A 38 -7.624 0.169 2.435 1.00 0.66 H new ATOM 0 HD22 LEU A 38 -6.140 -0.470 1.688 1.00 0.66 H new ATOM 0 HD23 LEU A 38 -6.986 -1.415 2.936 1.00 0.66 H new ATOM 557 N VAL A 39 -4.357 2.121 6.056 1.00 0.57 N ATOM 558 CA VAL A 39 -4.931 2.861 7.166 1.00 0.63 C ATOM 559 C VAL A 39 -6.068 3.745 6.650 1.00 0.61 C ATOM 560 O VAL A 39 -5.906 4.457 5.660 1.00 0.60 O ATOM 561 CB VAL A 39 -3.839 3.653 7.888 1.00 0.71 C ATOM 562 CG1 VAL A 39 -2.702 2.733 8.339 1.00 0.75 C ATOM 563 CG2 VAL A 39 -3.309 4.786 7.007 1.00 0.70 C ATOM 0 H VAL A 39 -4.106 2.690 5.248 1.00 0.57 H new ATOM 0 HA VAL A 39 -5.358 2.178 7.900 1.00 0.63 H new ATOM 0 HB VAL A 39 -4.283 4.100 8.778 1.00 0.71 H new ATOM 0 HG11 VAL A 39 -1.939 3.321 8.849 1.00 0.75 H new ATOM 0 HG12 VAL A 39 -3.094 1.977 9.020 1.00 0.75 H new ATOM 0 HG13 VAL A 39 -2.262 2.245 7.469 1.00 0.75 H new ATOM 0 HG21 VAL A 39 -2.534 5.333 7.544 1.00 0.70 H new ATOM 0 HG22 VAL A 39 -2.890 4.369 6.091 1.00 0.70 H new ATOM 0 HG23 VAL A 39 -4.125 5.464 6.757 1.00 0.70 H new ATOM 573 N MET A 40 -7.194 3.672 7.345 1.00 0.64 N ATOM 574 CA MET A 40 -8.357 4.457 6.970 1.00 0.66 C ATOM 575 C MET A 40 -8.363 5.808 7.689 1.00 0.76 C ATOM 576 O MET A 40 -8.814 5.905 8.829 1.00 0.83 O ATOM 577 CB MET A 40 -9.630 3.685 7.323 1.00 0.68 C ATOM 578 CG MET A 40 -10.859 4.594 7.260 1.00 0.68 C ATOM 579 SD MET A 40 -11.457 4.927 8.907 1.00 0.96 S ATOM 580 CE MET A 40 -13.154 4.397 8.734 1.00 1.74 C ATOM 0 H MET A 40 -7.325 3.081 8.166 1.00 0.64 H new ATOM 0 HA MET A 40 -8.318 4.639 5.896 1.00 0.66 H new ATOM 0 HB2 MET A 40 -9.756 2.850 6.634 1.00 0.68 H new ATOM 0 HB3 MET A 40 -9.537 3.262 8.323 1.00 0.68 H new ATOM 0 HG2 MET A 40 -10.605 5.529 6.761 1.00 0.68 H new ATOM 0 HG3 MET A 40 -11.642 4.120 6.669 1.00 0.68 H new ATOM 0 HE1 MET A 40 -13.677 4.538 9.680 1.00 1.74 H new ATOM 0 HE2 MET A 40 -13.642 4.987 7.958 1.00 1.74 H new ATOM 0 HE3 MET A 40 -13.180 3.343 8.458 1.00 1.74 H new ATOM 590 N THR A 41 -7.858 6.815 6.993 1.00 0.76 N ATOM 591 CA THR A 41 -7.799 8.156 7.551 1.00 0.86 C ATOM 592 C THR A 41 -8.842 9.055 6.887 1.00 0.93 C ATOM 593 O THR A 41 -8.497 10.069 6.281 1.00 1.02 O ATOM 594 CB THR A 41 -6.366 8.669 7.396 1.00 0.95 C ATOM 595 OG1 THR A 41 -6.360 9.900 8.115 1.00 0.97 O ATOM 596 CG2 THR A 41 -6.042 9.076 5.958 1.00 1.15 C ATOM 0 H THR A 41 -7.486 6.730 6.047 1.00 0.76 H new ATOM 0 HA THR A 41 -8.046 8.155 8.613 1.00 0.86 H new ATOM 0 HB THR A 41 -5.667 7.898 7.721 1.00 0.95 H new ATOM 0 HG1 THR A 41 -5.467 10.302 8.068 1.00 0.97 H new ATOM 0 HG21 THR A 41 -5.013 9.432 5.904 1.00 1.15 H new ATOM 0 HG22 THR A 41 -6.163 8.215 5.300 1.00 1.15 H new ATOM 0 HG23 THR A 41 -6.718 9.871 5.644 1.00 1.15 H new ATOM 604 N ALA A 42 -10.098 8.653 7.022 1.00 0.90 N ATOM 605 CA ALA A 42 -11.194 9.411 6.442 1.00 1.00 C ATOM 606 C ALA A 42 -11.093 10.869 6.891 1.00 1.14 C ATOM 607 O ALA A 42 -11.082 11.778 6.063 1.00 2.30 O ATOM 608 CB ALA A 42 -12.524 8.769 6.840 1.00 1.06 C ATOM 0 H ALA A 42 -10.381 7.812 7.525 1.00 0.90 H new ATOM 0 HA ALA A 42 -11.138 9.397 5.354 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -13.347 9.337 6.405 1.00 1.06 H new ATOM 0 HB2 ALA A 42 -12.557 7.743 6.473 1.00 1.06 H new ATOM 0 HB3 ALA A 42 -12.617 8.769 7.926 1.00 1.06 H new ATOM 614 N MET A 43 -11.021 11.048 8.202 1.00 1.26 N ATOM 615 CA MET A 43 -10.921 12.382 8.772 1.00 1.47 C ATOM 616 C MET A 43 -10.048 12.378 10.027 1.00 1.52 C ATOM 617 O MET A 43 -9.872 11.339 10.662 1.00 1.62 O ATOM 618 CB MET A 43 -12.320 12.892 9.124 1.00 1.86 C ATOM 619 CG MET A 43 -12.780 13.961 8.131 1.00 2.16 C ATOM 620 SD MET A 43 -13.504 15.337 9.007 1.00 3.19 S ATOM 621 CE MET A 43 -15.121 15.368 8.254 1.00 3.99 C ATOM 0 H MET A 43 -11.030 10.292 8.886 1.00 1.26 H new ATOM 0 HA MET A 43 -10.460 13.039 8.034 1.00 1.47 H new ATOM 0 HB2 MET A 43 -13.025 12.061 9.122 1.00 1.86 H new ATOM 0 HB3 MET A 43 -12.317 13.305 10.133 1.00 1.86 H new ATOM 0 HG2 MET A 43 -11.934 14.303 7.535 1.00 2.16 H new ATOM 0 HG3 MET A 43 -13.507 13.537 7.439 1.00 2.16 H new ATOM 0 HE1 MET A 43 -15.710 16.176 8.689 1.00 3.99 H new ATOM 0 HE2 MET A 43 -15.020 15.530 7.181 1.00 3.99 H new ATOM 0 HE3 MET A 43 -15.623 14.417 8.431 1.00 3.99 H new ATOM 631 N PRO A 44 -9.508 13.582 10.356 1.00 1.88 N ATOM 632 CA PRO A 44 -8.657 13.728 11.525 1.00 2.11 C ATOM 633 C PRO A 44 -9.484 13.707 12.812 1.00 2.71 C ATOM 634 O PRO A 44 -10.659 13.344 12.794 1.00 3.89 O ATOM 635 CB PRO A 44 -7.919 15.039 11.314 1.00 2.62 C ATOM 636 CG PRO A 44 -8.720 15.805 10.272 1.00 2.95 C ATOM 637 CD PRO A 44 -9.694 14.834 9.627 1.00 2.42 C ATOM 0 HA PRO A 44 -7.952 12.904 11.637 1.00 2.11 H new ATOM 0 HB2 PRO A 44 -7.849 15.602 12.245 1.00 2.62 H new ATOM 0 HB3 PRO A 44 -6.900 14.863 10.971 1.00 2.62 H new ATOM 0 HG2 PRO A 44 -9.257 16.633 10.736 1.00 2.95 H new ATOM 0 HG3 PRO A 44 -8.057 16.236 9.522 1.00 2.95 H new ATOM 0 HD2 PRO A 44 -10.721 15.191 9.708 1.00 2.42 H new ATOM 0 HD3 PRO A 44 -9.483 14.709 8.565 1.00 2.42 H new ATOM 645 N GLY A 45 -8.839 14.103 13.899 1.00 2.76 N ATOM 646 CA GLY A 45 -9.499 14.135 15.193 1.00 3.37 C ATOM 647 C GLY A 45 -8.505 14.462 16.308 1.00 3.12 C ATOM 648 O GLY A 45 -8.720 15.393 17.083 1.00 3.19 O ATOM 0 H GLY A 45 -7.865 14.405 13.910 1.00 2.76 H new ATOM 0 HA2 GLY A 45 -10.295 14.880 15.181 1.00 3.37 H new ATOM 0 HA3 GLY A 45 -9.968 13.171 15.390 1.00 3.37 H new ATOM 652 N MET A 46 -7.439 13.678 16.355 1.00 3.20 N ATOM 653 CA MET A 46 -6.411 13.873 17.363 1.00 3.55 C ATOM 654 C MET A 46 -5.026 13.977 16.722 1.00 3.44 C ATOM 655 O MET A 46 -4.261 13.014 16.726 1.00 3.94 O ATOM 656 CB MET A 46 -6.431 12.701 18.346 1.00 4.48 C ATOM 657 CG MET A 46 -7.618 12.811 19.305 1.00 4.88 C ATOM 658 SD MET A 46 -7.244 13.973 20.608 1.00 5.52 S ATOM 659 CE MET A 46 -8.624 15.091 20.431 1.00 4.98 C ATOM 0 H MET A 46 -7.264 12.906 15.711 1.00 3.20 H new ATOM 0 HA MET A 46 -6.618 14.805 17.889 1.00 3.55 H new ATOM 0 HB2 MET A 46 -6.489 11.761 17.796 1.00 4.48 H new ATOM 0 HB3 MET A 46 -5.501 12.682 18.914 1.00 4.48 H new ATOM 0 HG2 MET A 46 -8.506 13.134 18.762 1.00 4.88 H new ATOM 0 HG3 MET A 46 -7.843 11.834 19.732 1.00 4.88 H new ATOM 0 HE1 MET A 46 -8.733 15.682 21.341 1.00 4.98 H new ATOM 0 HE2 MET A 46 -8.448 15.756 19.585 1.00 4.98 H new ATOM 0 HE3 MET A 46 -9.536 14.519 20.259 1.00 4.98 H new ATOM 669 N GLU A 47 -4.744 15.155 16.185 1.00 3.12 N ATOM 670 CA GLU A 47 -3.465 15.397 15.540 1.00 3.52 C ATOM 671 C GLU A 47 -3.043 14.176 14.720 1.00 3.39 C ATOM 672 O GLU A 47 -2.156 13.427 15.127 1.00 3.95 O ATOM 673 CB GLU A 47 -2.393 15.763 16.569 1.00 4.52 C ATOM 674 CG GLU A 47 -1.586 16.980 16.111 1.00 5.12 C ATOM 675 CD GLU A 47 -0.249 16.553 15.502 1.00 6.37 C ATOM 676 OE1 GLU A 47 0.558 15.965 16.318 1.00 6.54 O ATOM 677 OE2 GLU A 47 -0.011 16.782 14.307 1.00 7.55 O ATOM 0 H GLU A 47 -5.380 15.953 16.183 1.00 3.12 H new ATOM 0 HA GLU A 47 -3.577 16.244 14.863 1.00 3.52 H new ATOM 0 HB2 GLU A 47 -2.863 15.974 17.530 1.00 4.52 H new ATOM 0 HB3 GLU A 47 -1.725 14.915 16.721 1.00 4.52 H new ATOM 0 HG2 GLU A 47 -2.160 17.546 15.377 1.00 5.12 H new ATOM 0 HG3 GLU A 47 -1.409 17.643 16.958 1.00 5.12 H new ATOM 684 N HIS A 48 -3.699 14.014 13.580 1.00 2.81 N ATOM 685 CA HIS A 48 -3.404 12.896 12.700 1.00 2.70 C ATOM 686 C HIS A 48 -3.593 11.581 13.459 1.00 2.13 C ATOM 687 O HIS A 48 -2.655 11.074 14.072 1.00 2.34 O ATOM 688 CB HIS A 48 -2.005 13.035 12.096 1.00 3.38 C ATOM 689 CG HIS A 48 -1.932 12.685 10.629 1.00 4.05 C ATOM 690 ND1 HIS A 48 -2.303 11.447 10.135 1.00 4.82 N ATOM 691 CD2 HIS A 48 -1.530 13.423 9.555 1.00 5.08 C ATOM 692 CE1 HIS A 48 -2.126 11.450 8.822 1.00 5.88 C ATOM 693 NE2 HIS A 48 -1.646 12.676 8.464 1.00 5.92 N ATOM 0 H HIS A 48 -4.433 14.638 13.246 1.00 2.81 H new ATOM 0 HA HIS A 48 -4.101 12.895 11.862 1.00 2.70 H new ATOM 0 HB2 HIS A 48 -1.662 14.061 12.232 1.00 3.38 H new ATOM 0 HB3 HIS A 48 -1.317 12.393 12.647 1.00 3.38 H new ATOM 0 HD2 HIS A 48 -1.177 14.443 9.587 1.00 5.08 H new ATOM 0 HE1 HIS A 48 -2.326 10.627 8.153 1.00 5.88 H new ATOM 0 HE2 HIS A 48 -1.415 12.970 7.515 1.00 5.92 H new ATOM 701 N SER A 49 -4.812 11.066 13.392 1.00 1.69 N ATOM 702 CA SER A 49 -5.136 9.820 14.064 1.00 1.40 C ATOM 703 C SER A 49 -5.725 8.823 13.065 1.00 1.17 C ATOM 704 O SER A 49 -6.934 8.599 13.045 1.00 1.25 O ATOM 705 CB SER A 49 -6.114 10.055 15.218 1.00 1.65 C ATOM 706 OG SER A 49 -6.379 8.858 15.945 1.00 2.14 O ATOM 0 H SER A 49 -5.587 11.490 12.882 1.00 1.69 H new ATOM 0 HA SER A 49 -4.217 9.407 14.480 1.00 1.40 H new ATOM 0 HB2 SER A 49 -5.704 10.806 15.893 1.00 1.65 H new ATOM 0 HB3 SER A 49 -7.049 10.455 14.825 1.00 1.65 H new ATOM 0 HG SER A 49 -7.006 9.050 16.674 1.00 2.14 H new ATOM 712 N PRO A 50 -4.820 8.235 12.238 1.00 1.08 N ATOM 713 CA PRO A 50 -5.236 7.268 11.238 1.00 1.08 C ATOM 714 C PRO A 50 -5.572 5.922 11.884 1.00 1.05 C ATOM 715 O PRO A 50 -5.023 5.577 12.929 1.00 1.18 O ATOM 716 CB PRO A 50 -4.074 7.185 10.262 1.00 1.26 C ATOM 717 CG PRO A 50 -2.871 7.752 10.997 1.00 1.34 C ATOM 718 CD PRO A 50 -3.379 8.476 12.234 1.00 1.24 C ATOM 0 HA PRO A 50 -6.150 7.563 10.723 1.00 1.08 H new ATOM 0 HB2 PRO A 50 -3.894 6.155 9.955 1.00 1.26 H new ATOM 0 HB3 PRO A 50 -4.283 7.755 9.357 1.00 1.26 H new ATOM 0 HG2 PRO A 50 -2.184 6.954 11.277 1.00 1.34 H new ATOM 0 HG3 PRO A 50 -2.319 8.437 10.354 1.00 1.34 H new ATOM 0 HD2 PRO A 50 -2.910 8.090 13.139 1.00 1.24 H new ATOM 0 HD3 PRO A 50 -3.156 9.542 12.189 1.00 1.24 H new ATOM 726 N MET A 51 -6.472 5.197 11.234 1.00 1.00 N ATOM 727 CA MET A 51 -6.887 3.898 11.732 1.00 1.04 C ATOM 728 C MET A 51 -6.369 2.774 10.832 1.00 0.92 C ATOM 729 O MET A 51 -6.708 2.714 9.651 1.00 0.95 O ATOM 730 CB MET A 51 -8.414 3.838 11.794 1.00 1.15 C ATOM 731 CG MET A 51 -8.955 4.760 12.889 1.00 1.65 C ATOM 732 SD MET A 51 -9.185 3.840 14.402 1.00 1.68 S ATOM 733 CE MET A 51 -10.967 3.861 14.510 1.00 2.66 C ATOM 0 H MET A 51 -6.925 5.486 10.367 1.00 1.00 H new ATOM 0 HA MET A 51 -6.468 3.762 12.729 1.00 1.04 H new ATOM 0 HB2 MET A 51 -8.832 4.128 10.830 1.00 1.15 H new ATOM 0 HB3 MET A 51 -8.734 2.814 11.985 1.00 1.15 H new ATOM 0 HG2 MET A 51 -8.262 5.585 13.057 1.00 1.65 H new ATOM 0 HG3 MET A 51 -9.902 5.198 12.572 1.00 1.65 H new ATOM 0 HE1 MET A 51 -11.284 3.326 15.405 1.00 2.66 H new ATOM 0 HE2 MET A 51 -11.316 4.892 14.561 1.00 2.66 H new ATOM 0 HE3 MET A 51 -11.391 3.378 13.629 1.00 2.66 H new ATOM 743 N ALA A 52 -5.556 1.912 11.424 1.00 0.92 N ATOM 744 CA ALA A 52 -4.987 0.794 10.690 1.00 0.85 C ATOM 745 C ALA A 52 -6.093 -0.213 10.366 1.00 0.76 C ATOM 746 O ALA A 52 -7.059 -0.343 11.117 1.00 0.85 O ATOM 747 CB ALA A 52 -3.853 0.171 11.506 1.00 1.00 C ATOM 0 H ALA A 52 -5.277 1.965 12.404 1.00 0.92 H new ATOM 0 HA ALA A 52 -4.561 1.132 9.745 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -3.427 -0.667 10.955 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -3.080 0.919 11.685 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -4.243 -0.183 12.460 1.00 1.00 H new ATOM 753 N VAL A 53 -5.915 -0.898 9.246 1.00 0.65 N ATOM 754 CA VAL A 53 -6.885 -1.889 8.813 1.00 0.65 C ATOM 755 C VAL A 53 -6.206 -3.258 8.726 1.00 0.73 C ATOM 756 O VAL A 53 -4.995 -3.367 8.912 1.00 1.09 O ATOM 757 CB VAL A 53 -7.524 -1.454 7.492 1.00 0.63 C ATOM 758 CG1 VAL A 53 -6.735 -1.994 6.297 1.00 0.63 C ATOM 759 CG2 VAL A 53 -8.989 -1.887 7.423 1.00 0.77 C ATOM 0 H VAL A 53 -5.113 -0.786 8.625 1.00 0.65 H new ATOM 0 HA VAL A 53 -7.694 -1.973 9.538 1.00 0.65 H new ATOM 0 HB VAL A 53 -7.494 -0.365 7.448 1.00 0.63 H new ATOM 0 HG11 VAL A 53 -7.210 -1.670 5.371 1.00 0.63 H new ATOM 0 HG12 VAL A 53 -5.714 -1.614 6.333 1.00 0.63 H new ATOM 0 HG13 VAL A 53 -6.718 -3.083 6.335 1.00 0.63 H new ATOM 0 HG21 VAL A 53 -9.419 -1.565 6.474 1.00 0.77 H new ATOM 0 HG22 VAL A 53 -9.052 -2.972 7.500 1.00 0.77 H new ATOM 0 HG23 VAL A 53 -9.542 -1.432 8.245 1.00 0.77 H new ATOM 769 N LYS A 54 -7.016 -4.268 8.443 1.00 0.60 N ATOM 770 CA LYS A 54 -6.510 -5.625 8.330 1.00 0.71 C ATOM 771 C LYS A 54 -6.336 -5.977 6.851 1.00 0.68 C ATOM 772 O LYS A 54 -7.309 -6.015 6.100 1.00 0.83 O ATOM 773 CB LYS A 54 -7.409 -6.598 9.093 1.00 0.83 C ATOM 774 CG LYS A 54 -7.391 -6.300 10.594 1.00 2.13 C ATOM 775 CD LYS A 54 -8.791 -6.435 11.196 1.00 2.27 C ATOM 776 CE LYS A 54 -9.414 -5.060 11.447 1.00 4.13 C ATOM 777 NZ LYS A 54 -10.638 -4.889 10.633 1.00 4.99 N ATOM 0 H LYS A 54 -8.020 -4.173 8.289 1.00 0.60 H new ATOM 0 HA LYS A 54 -5.528 -5.706 8.795 1.00 0.71 H new ATOM 0 HB2 LYS A 54 -8.430 -6.527 8.717 1.00 0.83 H new ATOM 0 HB3 LYS A 54 -7.075 -7.621 8.918 1.00 0.83 H new ATOM 0 HG2 LYS A 54 -6.708 -6.985 11.096 1.00 2.13 H new ATOM 0 HG3 LYS A 54 -7.014 -5.292 10.764 1.00 2.13 H new ATOM 0 HD2 LYS A 54 -9.427 -7.009 10.522 1.00 2.27 H new ATOM 0 HD3 LYS A 54 -8.736 -6.990 12.133 1.00 2.27 H new ATOM 0 HE2 LYS A 54 -9.655 -4.951 12.504 1.00 4.13 H new ATOM 0 HE3 LYS A 54 -8.695 -4.278 11.202 1.00 4.13 H new ATOM 0 HZ1 LYS A 54 -11.048 -3.951 10.815 1.00 4.99 H new ATOM 0 HZ2 LYS A 54 -10.399 -4.972 9.624 1.00 4.99 H new ATOM 0 HZ3 LYS A 54 -11.329 -5.624 10.886 1.00 4.99 H new ATOM 791 N ALA A 55 -5.089 -6.227 6.477 1.00 0.68 N ATOM 792 CA ALA A 55 -4.775 -6.575 5.102 1.00 0.67 C ATOM 793 C ALA A 55 -3.560 -7.505 5.080 1.00 0.71 C ATOM 794 O ALA A 55 -2.936 -7.740 6.114 1.00 0.78 O ATOM 795 CB ALA A 55 -4.548 -5.298 4.291 1.00 0.61 C ATOM 0 H ALA A 55 -4.284 -6.195 7.103 1.00 0.68 H new ATOM 0 HA ALA A 55 -5.606 -7.109 4.642 1.00 0.67 H new ATOM 0 HB1 ALA A 55 -4.312 -5.559 3.259 1.00 0.61 H new ATOM 0 HB2 ALA A 55 -5.451 -4.687 4.314 1.00 0.61 H new ATOM 0 HB3 ALA A 55 -3.719 -4.736 4.721 1.00 0.61 H new ATOM 801 N ALA A 56 -3.262 -8.008 3.891 1.00 0.72 N ATOM 802 CA ALA A 56 -2.132 -8.907 3.722 1.00 0.79 C ATOM 803 C ALA A 56 -1.433 -8.595 2.397 1.00 0.71 C ATOM 804 O ALA A 56 -2.077 -8.183 1.433 1.00 0.66 O ATOM 805 CB ALA A 56 -2.616 -10.356 3.799 1.00 0.95 C ATOM 0 H ALA A 56 -3.782 -7.811 3.036 1.00 0.72 H new ATOM 0 HA ALA A 56 -1.404 -8.764 4.521 1.00 0.79 H new ATOM 0 HB1 ALA A 56 -1.769 -11.030 3.672 1.00 0.95 H new ATOM 0 HB2 ALA A 56 -3.079 -10.534 4.770 1.00 0.95 H new ATOM 0 HB3 ALA A 56 -3.346 -10.538 3.010 1.00 0.95 H new ATOM 811 N VAL A 57 -0.125 -8.805 2.392 1.00 0.73 N ATOM 812 CA VAL A 57 0.668 -8.551 1.201 1.00 0.67 C ATOM 813 C VAL A 57 0.961 -9.878 0.497 1.00 0.64 C ATOM 814 O VAL A 57 1.488 -10.806 1.108 1.00 0.69 O ATOM 815 CB VAL A 57 1.935 -7.779 1.571 1.00 0.75 C ATOM 816 CG1 VAL A 57 2.627 -8.407 2.783 1.00 2.10 C ATOM 817 CG2 VAL A 57 2.891 -7.690 0.379 1.00 2.03 C ATOM 0 H VAL A 57 0.405 -9.148 3.193 1.00 0.73 H new ATOM 0 HA VAL A 57 0.115 -7.925 0.500 1.00 0.67 H new ATOM 0 HB VAL A 57 1.641 -6.765 1.842 1.00 0.75 H new ATOM 0 HG11 VAL A 57 3.525 -7.838 3.024 1.00 2.10 H new ATOM 0 HG12 VAL A 57 1.949 -8.394 3.636 1.00 2.10 H new ATOM 0 HG13 VAL A 57 2.901 -9.437 2.553 1.00 2.10 H new ATOM 0 HG21 VAL A 57 3.784 -7.136 0.669 1.00 2.03 H new ATOM 0 HG22 VAL A 57 3.174 -8.694 0.063 1.00 2.03 H new ATOM 0 HG23 VAL A 57 2.397 -7.176 -0.446 1.00 2.03 H new ATOM 827 N SER A 58 0.606 -9.925 -0.779 1.00 0.59 N ATOM 828 CA SER A 58 0.824 -11.122 -1.574 1.00 0.60 C ATOM 829 C SER A 58 1.373 -10.744 -2.950 1.00 0.55 C ATOM 830 O SER A 58 0.831 -9.864 -3.618 1.00 0.89 O ATOM 831 CB SER A 58 -0.468 -11.929 -1.719 1.00 0.74 C ATOM 832 OG SER A 58 -1.265 -11.878 -0.539 1.00 0.90 O ATOM 0 H SER A 58 0.169 -9.153 -1.282 1.00 0.59 H new ATOM 0 HA SER A 58 1.554 -11.747 -1.059 1.00 0.60 H new ATOM 0 HB2 SER A 58 -1.043 -11.545 -2.562 1.00 0.74 H new ATOM 0 HB3 SER A 58 -0.224 -12.967 -1.947 1.00 0.74 H new ATOM 0 HG SER A 58 -2.081 -12.404 -0.672 1.00 0.90 H new ATOM 838 N GLY A 59 2.440 -11.428 -3.335 1.00 0.69 N ATOM 839 CA GLY A 59 3.067 -11.175 -4.621 1.00 0.63 C ATOM 840 C GLY A 59 2.240 -11.770 -5.762 1.00 0.72 C ATOM 841 O GLY A 59 1.401 -12.642 -5.535 1.00 0.89 O ATOM 0 H GLY A 59 2.886 -12.157 -2.779 1.00 0.69 H new ATOM 0 HA2 GLY A 59 3.179 -10.101 -4.770 1.00 0.63 H new ATOM 0 HA3 GLY A 59 4.069 -11.604 -4.632 1.00 0.63 H new ATOM 845 N GLY A 60 2.504 -11.276 -6.962 1.00 0.73 N ATOM 846 CA GLY A 60 1.793 -11.747 -8.139 1.00 0.93 C ATOM 847 C GLY A 60 2.592 -12.831 -8.864 1.00 1.06 C ATOM 848 O GLY A 60 2.751 -12.779 -10.083 1.00 2.36 O ATOM 0 H GLY A 60 3.201 -10.554 -7.145 1.00 0.73 H new ATOM 0 HA2 GLY A 60 0.820 -12.141 -7.847 1.00 0.93 H new ATOM 0 HA3 GLY A 60 1.609 -10.912 -8.815 1.00 0.93 H new ATOM 852 N GLY A 61 3.075 -13.787 -8.085 1.00 1.76 N ATOM 853 CA GLY A 61 3.854 -14.882 -8.637 1.00 1.88 C ATOM 854 C GLY A 61 5.348 -14.552 -8.625 1.00 1.70 C ATOM 855 O GLY A 61 6.174 -15.407 -8.311 1.00 2.18 O ATOM 0 H GLY A 61 2.942 -13.826 -7.074 1.00 1.76 H new ATOM 0 HA2 GLY A 61 3.673 -15.789 -8.060 1.00 1.88 H new ATOM 0 HA3 GLY A 61 3.531 -15.085 -9.658 1.00 1.88 H new ATOM 859 N ASP A 62 5.650 -13.309 -8.972 1.00 1.27 N ATOM 860 CA ASP A 62 7.030 -12.855 -9.006 1.00 1.14 C ATOM 861 C ASP A 62 7.342 -12.090 -7.718 1.00 1.05 C ATOM 862 O ASP A 62 6.482 -11.395 -7.181 1.00 1.03 O ATOM 863 CB ASP A 62 7.271 -11.913 -10.186 1.00 1.14 C ATOM 864 CG ASP A 62 6.762 -12.422 -11.536 1.00 1.71 C ATOM 865 OD1 ASP A 62 7.483 -13.343 -12.078 1.00 1.86 O ATOM 866 OD2 ASP A 62 5.728 -11.961 -12.043 1.00 2.97 O ATOM 0 H ASP A 62 4.962 -12.602 -9.232 1.00 1.27 H new ATOM 0 HA ASP A 62 7.671 -13.731 -9.108 1.00 1.14 H new ATOM 0 HB2 ASP A 62 6.793 -10.957 -9.972 1.00 1.14 H new ATOM 0 HB3 ASP A 62 8.341 -11.723 -10.267 1.00 1.14 H new ATOM 871 N PRO A 63 8.608 -12.250 -7.247 1.00 1.09 N ATOM 872 CA PRO A 63 9.045 -11.582 -6.032 1.00 1.14 C ATOM 873 C PRO A 63 9.288 -10.093 -6.283 1.00 1.04 C ATOM 874 O PRO A 63 9.618 -9.351 -5.359 1.00 1.18 O ATOM 875 CB PRO A 63 10.300 -12.325 -5.605 1.00 1.31 C ATOM 876 CG PRO A 63 10.780 -13.075 -6.837 1.00 1.32 C ATOM 877 CD PRO A 63 9.654 -13.066 -7.857 1.00 1.20 C ATOM 0 HA PRO A 63 8.294 -11.610 -5.243 1.00 1.14 H new ATOM 0 HB2 PRO A 63 11.062 -11.632 -5.248 1.00 1.31 H new ATOM 0 HB3 PRO A 63 10.087 -13.013 -4.787 1.00 1.31 H new ATOM 0 HG2 PRO A 63 11.671 -12.602 -7.249 1.00 1.32 H new ATOM 0 HG3 PRO A 63 11.053 -14.098 -6.579 1.00 1.32 H new ATOM 0 HD2 PRO A 63 9.983 -12.643 -8.806 1.00 1.20 H new ATOM 0 HD3 PRO A 63 9.299 -14.076 -8.064 1.00 1.20 H new ATOM 885 N LYS A 64 9.116 -9.700 -7.537 1.00 0.88 N ATOM 886 CA LYS A 64 9.312 -8.312 -7.920 1.00 0.83 C ATOM 887 C LYS A 64 7.951 -7.625 -8.047 1.00 0.73 C ATOM 888 O LYS A 64 7.863 -6.398 -8.000 1.00 0.77 O ATOM 889 CB LYS A 64 10.167 -8.221 -9.184 1.00 0.87 C ATOM 890 CG LYS A 64 9.377 -8.672 -10.414 1.00 0.90 C ATOM 891 CD LYS A 64 10.202 -8.497 -11.691 1.00 1.21 C ATOM 892 CE LYS A 64 10.955 -9.784 -12.036 1.00 2.20 C ATOM 893 NZ LYS A 64 10.359 -10.430 -13.227 1.00 2.52 N ATOM 0 H LYS A 64 8.843 -10.319 -8.301 1.00 0.88 H new ATOM 0 HA LYS A 64 9.867 -7.779 -7.148 1.00 0.83 H new ATOM 0 HB2 LYS A 64 10.509 -7.195 -9.323 1.00 0.87 H new ATOM 0 HB3 LYS A 64 11.056 -8.841 -9.071 1.00 0.87 H new ATOM 0 HG2 LYS A 64 9.090 -9.718 -10.303 1.00 0.90 H new ATOM 0 HG3 LYS A 64 8.455 -8.095 -10.490 1.00 0.90 H new ATOM 0 HD2 LYS A 64 9.546 -8.222 -12.517 1.00 1.21 H new ATOM 0 HD3 LYS A 64 10.911 -7.680 -11.561 1.00 1.21 H new ATOM 0 HE2 LYS A 64 12.005 -9.559 -12.224 1.00 2.20 H new ATOM 0 HE3 LYS A 64 10.923 -10.469 -11.189 1.00 2.20 H new ATOM 0 HZ1 LYS A 64 10.882 -11.302 -13.447 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 9.364 -10.662 -13.034 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 10.412 -9.780 -14.037 1.00 2.52 H new ATOM 907 N THR A 65 6.923 -8.445 -8.206 1.00 0.68 N ATOM 908 CA THR A 65 5.569 -7.932 -8.340 1.00 0.62 C ATOM 909 C THR A 65 4.770 -8.192 -7.061 1.00 0.56 C ATOM 910 O THR A 65 4.466 -9.339 -6.739 1.00 0.57 O ATOM 911 CB THR A 65 4.946 -8.564 -9.586 1.00 0.72 C ATOM 912 OG1 THR A 65 5.548 -7.862 -10.670 1.00 0.78 O ATOM 913 CG2 THR A 65 3.455 -8.246 -9.720 1.00 0.77 C ATOM 0 H THR A 65 7.000 -9.461 -8.245 1.00 0.68 H new ATOM 0 HA THR A 65 5.567 -6.850 -8.471 1.00 0.62 H new ATOM 0 HB THR A 65 5.086 -9.644 -9.553 1.00 0.72 H new ATOM 0 HG1 THR A 65 5.201 -8.210 -11.518 1.00 0.78 H new ATOM 0 HG21 THR A 65 3.062 -8.718 -10.620 1.00 0.77 H new ATOM 0 HG22 THR A 65 2.922 -8.626 -8.849 1.00 0.77 H new ATOM 0 HG23 THR A 65 3.318 -7.167 -9.787 1.00 0.77 H new ATOM 921 N MET A 66 4.454 -7.108 -6.368 1.00 0.65 N ATOM 922 CA MET A 66 3.696 -7.206 -5.132 1.00 0.61 C ATOM 923 C MET A 66 2.229 -6.834 -5.358 1.00 0.56 C ATOM 924 O MET A 66 1.914 -6.051 -6.252 1.00 0.57 O ATOM 925 CB MET A 66 4.305 -6.270 -4.085 1.00 0.61 C ATOM 926 CG MET A 66 4.586 -7.017 -2.780 1.00 0.62 C ATOM 927 SD MET A 66 6.290 -7.547 -2.734 1.00 1.23 S ATOM 928 CE MET A 66 6.323 -8.607 -4.170 1.00 1.23 C ATOM 0 H MET A 66 4.709 -6.158 -6.638 1.00 0.65 H new ATOM 0 HA MET A 66 3.740 -8.237 -4.781 1.00 0.61 H new ATOM 0 HB2 MET A 66 5.231 -5.841 -4.469 1.00 0.61 H new ATOM 0 HB3 MET A 66 3.625 -5.440 -3.894 1.00 0.61 H new ATOM 0 HG2 MET A 66 4.375 -6.370 -1.928 1.00 0.62 H new ATOM 0 HG3 MET A 66 3.926 -7.880 -2.696 1.00 0.62 H new ATOM 0 HE1 MET A 66 7.182 -9.275 -4.109 1.00 1.23 H new ATOM 0 HE2 MET A 66 5.407 -9.196 -4.209 1.00 1.23 H new ATOM 0 HE3 MET A 66 6.401 -7.998 -5.070 1.00 1.23 H new ATOM 938 N VAL A 67 1.372 -7.413 -4.530 1.00 0.56 N ATOM 939 CA VAL A 67 -0.054 -7.152 -4.628 1.00 0.53 C ATOM 940 C VAL A 67 -0.666 -7.154 -3.226 1.00 0.54 C ATOM 941 O VAL A 67 -0.667 -8.179 -2.546 1.00 0.58 O ATOM 942 CB VAL A 67 -0.709 -8.168 -5.567 1.00 0.57 C ATOM 943 CG1 VAL A 67 -2.209 -7.902 -5.702 1.00 1.53 C ATOM 944 CG2 VAL A 67 -0.026 -8.170 -6.936 1.00 1.64 C ATOM 0 H VAL A 67 1.637 -8.061 -3.789 1.00 0.56 H new ATOM 0 HA VAL A 67 -0.233 -6.167 -5.060 1.00 0.53 H new ATOM 0 HB VAL A 67 -0.583 -9.158 -5.129 1.00 0.57 H new ATOM 0 HG11 VAL A 67 -2.650 -8.638 -6.374 1.00 1.53 H new ATOM 0 HG12 VAL A 67 -2.681 -7.977 -4.722 1.00 1.53 H new ATOM 0 HG13 VAL A 67 -2.366 -6.902 -6.105 1.00 1.53 H new ATOM 0 HG21 VAL A 67 -0.511 -8.901 -7.583 1.00 1.64 H new ATOM 0 HG22 VAL A 67 -0.105 -7.179 -7.384 1.00 1.64 H new ATOM 0 HG23 VAL A 67 1.026 -8.432 -6.818 1.00 1.64 H new ATOM 954 N ILE A 68 -1.172 -5.994 -2.835 1.00 0.54 N ATOM 955 CA ILE A 68 -1.785 -5.847 -1.525 1.00 0.56 C ATOM 956 C ILE A 68 -3.270 -6.205 -1.620 1.00 0.56 C ATOM 957 O ILE A 68 -3.999 -5.631 -2.427 1.00 0.55 O ATOM 958 CB ILE A 68 -1.524 -4.448 -0.965 1.00 0.55 C ATOM 959 CG1 ILE A 68 -0.313 -4.450 -0.030 1.00 0.61 C ATOM 960 CG2 ILE A 68 -2.774 -3.889 -0.283 1.00 0.58 C ATOM 961 CD1 ILE A 68 0.994 -4.439 -0.825 1.00 0.61 C ATOM 0 H ILE A 68 -1.170 -5.146 -3.402 1.00 0.54 H new ATOM 0 HA ILE A 68 -1.334 -6.538 -0.813 1.00 0.56 H new ATOM 0 HB ILE A 68 -1.288 -3.785 -1.797 1.00 0.55 H new ATOM 0 HG12 ILE A 68 -0.352 -3.579 0.624 1.00 0.61 H new ATOM 0 HG13 ILE A 68 -0.345 -5.331 0.611 1.00 0.61 H new ATOM 0 HG21 ILE A 68 -2.562 -2.893 0.107 1.00 0.58 H new ATOM 0 HG22 ILE A 68 -3.587 -3.830 -1.006 1.00 0.58 H new ATOM 0 HG23 ILE A 68 -3.065 -4.545 0.537 1.00 0.58 H new ATOM 0 HD11 ILE A 68 1.839 -4.441 -0.136 1.00 0.61 H new ATOM 0 HD12 ILE A 68 1.041 -5.324 -1.460 1.00 0.61 H new ATOM 0 HD13 ILE A 68 1.034 -3.544 -1.446 1.00 0.61 H new ATOM 973 N THR A 69 -3.672 -7.151 -0.785 1.00 0.61 N ATOM 974 CA THR A 69 -5.057 -7.592 -0.764 1.00 0.63 C ATOM 975 C THR A 69 -5.604 -7.564 0.665 1.00 0.64 C ATOM 976 O THR A 69 -5.218 -8.383 1.497 1.00 0.75 O ATOM 977 CB THR A 69 -5.121 -8.977 -1.412 1.00 0.71 C ATOM 978 OG1 THR A 69 -5.751 -8.743 -2.668 1.00 0.74 O ATOM 979 CG2 THR A 69 -6.081 -9.920 -0.684 1.00 0.74 C ATOM 0 H THR A 69 -3.063 -7.625 -0.118 1.00 0.61 H new ATOM 0 HA THR A 69 -5.696 -6.919 -1.336 1.00 0.63 H new ATOM 0 HB THR A 69 -4.124 -9.416 -1.429 1.00 0.71 H new ATOM 0 HG1 THR A 69 -5.832 -9.589 -3.156 1.00 0.74 H new ATOM 0 HG21 THR A 69 -6.089 -10.888 -1.184 1.00 0.74 H new ATOM 0 HG22 THR A 69 -5.753 -10.047 0.348 1.00 0.74 H new ATOM 0 HG23 THR A 69 -7.086 -9.497 -0.696 1.00 0.74 H new ATOM 987 N PRO A 70 -6.517 -6.588 0.910 1.00 0.57 N ATOM 988 CA PRO A 70 -7.122 -6.442 2.224 1.00 0.59 C ATOM 989 C PRO A 70 -8.168 -7.531 2.470 1.00 0.66 C ATOM 990 O PRO A 70 -8.981 -7.825 1.595 1.00 0.69 O ATOM 991 CB PRO A 70 -7.711 -5.040 2.232 1.00 0.54 C ATOM 992 CG PRO A 70 -7.822 -4.626 0.774 1.00 0.53 C ATOM 993 CD PRO A 70 -6.998 -5.600 -0.052 1.00 0.52 C ATOM 0 HA PRO A 70 -6.403 -6.562 3.034 1.00 0.59 H new ATOM 0 HB2 PRO A 70 -8.687 -5.029 2.716 1.00 0.54 H new ATOM 0 HB3 PRO A 70 -7.073 -4.351 2.786 1.00 0.54 H new ATOM 0 HG2 PRO A 70 -8.863 -4.638 0.452 1.00 0.53 H new ATOM 0 HG3 PRO A 70 -7.458 -3.607 0.638 1.00 0.53 H new ATOM 0 HD2 PRO A 70 -7.601 -6.067 -0.831 1.00 0.52 H new ATOM 0 HD3 PRO A 70 -6.170 -5.095 -0.549 1.00 0.52 H new ATOM 1001 N ALA A 71 -8.114 -8.100 3.665 1.00 0.73 N ATOM 1002 CA ALA A 71 -9.045 -9.150 4.038 1.00 0.83 C ATOM 1003 C ALA A 71 -10.437 -8.544 4.237 1.00 0.82 C ATOM 1004 O ALA A 71 -11.445 -9.214 4.023 1.00 0.93 O ATOM 1005 CB ALA A 71 -8.536 -9.864 5.291 1.00 0.93 C ATOM 0 H ALA A 71 -7.439 -7.853 4.388 1.00 0.73 H new ATOM 0 HA ALA A 71 -9.119 -9.896 3.246 1.00 0.83 H new ATOM 0 HB1 ALA A 71 -9.235 -10.652 5.570 1.00 0.93 H new ATOM 0 HB2 ALA A 71 -7.558 -10.302 5.089 1.00 0.93 H new ATOM 0 HB3 ALA A 71 -8.451 -9.148 6.108 1.00 0.93 H new ATOM 1011 N SER A 72 -10.446 -7.282 4.641 1.00 0.76 N ATOM 1012 CA SER A 72 -11.696 -6.579 4.870 1.00 0.77 C ATOM 1013 C SER A 72 -12.018 -5.680 3.676 1.00 0.69 C ATOM 1014 O SER A 72 -11.113 -5.215 2.982 1.00 0.61 O ATOM 1015 CB SER A 72 -11.634 -5.751 6.157 1.00 0.80 C ATOM 1016 OG SER A 72 -12.764 -5.982 6.995 1.00 0.90 O ATOM 0 H SER A 72 -9.607 -6.729 4.815 1.00 0.76 H new ATOM 0 HA SER A 72 -12.489 -7.319 4.983 1.00 0.77 H new ATOM 0 HB2 SER A 72 -10.722 -5.996 6.702 1.00 0.80 H new ATOM 0 HB3 SER A 72 -11.580 -4.692 5.905 1.00 0.80 H new ATOM 0 HG SER A 72 -12.687 -5.437 7.806 1.00 0.90 H new ATOM 1022 N PRO A 73 -13.342 -5.456 3.465 1.00 0.74 N ATOM 1023 CA PRO A 73 -13.795 -4.620 2.365 1.00 0.71 C ATOM 1024 C PRO A 73 -13.556 -3.140 2.667 1.00 0.62 C ATOM 1025 O PRO A 73 -13.777 -2.687 3.790 1.00 0.76 O ATOM 1026 CB PRO A 73 -15.265 -4.961 2.191 1.00 0.83 C ATOM 1027 CG PRO A 73 -15.696 -5.625 3.488 1.00 0.92 C ATOM 1028 CD PRO A 73 -14.441 -5.989 4.265 1.00 0.87 C ATOM 0 HA PRO A 73 -13.245 -4.805 1.442 1.00 0.71 H new ATOM 0 HB2 PRO A 73 -15.853 -4.064 1.997 1.00 0.83 H new ATOM 0 HB3 PRO A 73 -15.413 -5.629 1.342 1.00 0.83 H new ATOM 0 HG2 PRO A 73 -16.324 -4.952 4.071 1.00 0.92 H new ATOM 0 HG3 PRO A 73 -16.289 -6.516 3.282 1.00 0.92 H new ATOM 0 HD2 PRO A 73 -14.453 -5.552 5.263 1.00 0.87 H new ATOM 0 HD3 PRO A 73 -14.352 -7.068 4.391 1.00 0.87 H new ATOM 1036 N LEU A 74 -13.108 -2.425 1.646 1.00 0.49 N ATOM 1037 CA LEU A 74 -12.837 -1.004 1.788 1.00 0.46 C ATOM 1038 C LEU A 74 -14.104 -0.212 1.460 1.00 0.50 C ATOM 1039 O LEU A 74 -14.609 -0.277 0.340 1.00 0.61 O ATOM 1040 CB LEU A 74 -11.626 -0.602 0.945 1.00 0.52 C ATOM 1041 CG LEU A 74 -10.313 -1.317 1.272 1.00 0.53 C ATOM 1042 CD1 LEU A 74 -9.253 -1.033 0.207 1.00 0.64 C ATOM 1043 CD2 LEU A 74 -9.826 -0.953 2.677 1.00 0.52 C ATOM 0 H LEU A 74 -12.926 -2.803 0.716 1.00 0.49 H new ATOM 0 HA LEU A 74 -12.571 -0.769 2.819 1.00 0.46 H new ATOM 0 HB2 LEU A 74 -11.863 -0.781 -0.104 1.00 0.52 H new ATOM 0 HB3 LEU A 74 -11.470 0.471 1.058 1.00 0.52 H new ATOM 0 HG LEU A 74 -10.498 -2.391 1.263 1.00 0.53 H new ATOM 0 HD11 LEU A 74 -8.330 -1.553 0.464 1.00 0.64 H new ATOM 0 HD12 LEU A 74 -9.608 -1.382 -0.762 1.00 0.64 H new ATOM 0 HD13 LEU A 74 -9.064 0.039 0.159 1.00 0.64 H new ATOM 0 HD21 LEU A 74 -8.891 -1.474 2.885 1.00 0.52 H new ATOM 0 HD22 LEU A 74 -9.663 0.123 2.738 1.00 0.52 H new ATOM 0 HD23 LEU A 74 -10.577 -1.248 3.410 1.00 0.52 H new ATOM 1055 N THR A 75 -14.583 0.517 2.458 1.00 0.48 N ATOM 1056 CA THR A 75 -15.781 1.320 2.289 1.00 0.57 C ATOM 1057 C THR A 75 -15.414 2.750 1.889 1.00 0.61 C ATOM 1058 O THR A 75 -14.243 3.126 1.922 1.00 0.60 O ATOM 1059 CB THR A 75 -16.590 1.241 3.586 1.00 0.64 C ATOM 1060 OG1 THR A 75 -15.718 1.788 4.572 1.00 0.67 O ATOM 1061 CG2 THR A 75 -16.817 -0.200 4.049 1.00 0.64 C ATOM 0 H THR A 75 -14.163 0.568 3.386 1.00 0.48 H new ATOM 0 HA THR A 75 -16.401 0.938 1.478 1.00 0.57 H new ATOM 0 HB THR A 75 -17.553 1.732 3.443 1.00 0.64 H new ATOM 0 HG1 THR A 75 -15.003 2.294 4.132 1.00 0.67 H new ATOM 0 HG21 THR A 75 -17.396 -0.198 4.973 1.00 0.64 H new ATOM 0 HG22 THR A 75 -17.362 -0.748 3.280 1.00 0.64 H new ATOM 0 HG23 THR A 75 -15.855 -0.682 4.224 1.00 0.64 H new ATOM 1069 N ALA A 76 -16.435 3.508 1.520 1.00 0.68 N ATOM 1070 CA ALA A 76 -16.234 4.889 1.113 1.00 0.74 C ATOM 1071 C ALA A 76 -15.363 5.600 2.151 1.00 0.72 C ATOM 1072 O ALA A 76 -15.108 5.060 3.226 1.00 0.80 O ATOM 1073 CB ALA A 76 -17.592 5.570 0.926 1.00 0.86 C ATOM 0 H ALA A 76 -17.405 3.193 1.494 1.00 0.68 H new ATOM 0 HA ALA A 76 -15.712 4.935 0.157 1.00 0.74 H new ATOM 0 HB1 ALA A 76 -17.441 6.605 0.621 1.00 0.86 H new ATOM 0 HB2 ALA A 76 -18.160 5.045 0.158 1.00 0.86 H new ATOM 0 HB3 ALA A 76 -18.144 5.546 1.866 1.00 0.86 H new ATOM 1079 N GLY A 77 -14.933 6.801 1.793 1.00 0.72 N ATOM 1080 CA GLY A 77 -14.097 7.591 2.680 1.00 0.74 C ATOM 1081 C GLY A 77 -12.712 7.818 2.071 1.00 0.66 C ATOM 1082 O GLY A 77 -12.558 7.809 0.850 1.00 0.66 O ATOM 0 H GLY A 77 -15.148 7.246 0.901 1.00 0.72 H new ATOM 0 HA2 GLY A 77 -14.574 8.551 2.875 1.00 0.74 H new ATOM 0 HA3 GLY A 77 -13.997 7.083 3.639 1.00 0.74 H new ATOM 1086 N THR A 78 -11.739 8.016 2.948 1.00 0.66 N ATOM 1087 CA THR A 78 -10.373 8.245 2.512 1.00 0.61 C ATOM 1088 C THR A 78 -9.409 7.342 3.283 1.00 0.56 C ATOM 1089 O THR A 78 -9.542 7.177 4.495 1.00 0.60 O ATOM 1090 CB THR A 78 -10.068 9.735 2.672 1.00 0.65 C ATOM 1091 OG1 THR A 78 -10.901 10.366 1.702 1.00 0.75 O ATOM 1092 CG2 THR A 78 -8.647 10.093 2.232 1.00 0.74 C ATOM 0 H THR A 78 -11.870 8.022 3.960 1.00 0.66 H new ATOM 0 HA THR A 78 -10.245 7.984 1.462 1.00 0.61 H new ATOM 0 HB THR A 78 -10.209 10.024 3.713 1.00 0.65 H new ATOM 0 HG1 THR A 78 -10.768 11.336 1.738 1.00 0.75 H new ATOM 0 HG21 THR A 78 -8.483 11.162 2.366 1.00 0.74 H new ATOM 0 HG22 THR A 78 -7.929 9.537 2.835 1.00 0.74 H new ATOM 0 HG23 THR A 78 -8.516 9.835 1.181 1.00 0.74 H new ATOM 1100 N TYR A 79 -8.458 6.781 2.550 1.00 0.51 N ATOM 1101 CA TYR A 79 -7.472 5.898 3.150 1.00 0.48 C ATOM 1102 C TYR A 79 -6.091 6.118 2.530 1.00 0.46 C ATOM 1103 O TYR A 79 -5.958 6.832 1.537 1.00 0.45 O ATOM 1104 CB TYR A 79 -7.937 4.474 2.840 1.00 0.49 C ATOM 1105 CG TYR A 79 -9.395 4.200 3.214 1.00 0.53 C ATOM 1106 CD1 TYR A 79 -10.414 4.797 2.500 1.00 2.09 C ATOM 1107 CD2 TYR A 79 -9.690 3.356 4.266 1.00 1.63 C ATOM 1108 CE1 TYR A 79 -11.786 4.539 2.852 1.00 2.16 C ATOM 1109 CE2 TYR A 79 -11.063 3.098 4.617 1.00 1.60 C ATOM 1110 CZ TYR A 79 -12.042 3.702 3.893 1.00 0.69 C ATOM 1111 OH TYR A 79 -13.339 3.458 4.226 1.00 0.79 O ATOM 0 H TYR A 79 -8.349 6.921 1.546 1.00 0.51 H new ATOM 0 HA TYR A 79 -7.388 6.086 4.220 1.00 0.48 H new ATOM 0 HB2 TYR A 79 -7.804 4.283 1.775 1.00 0.49 H new ATOM 0 HB3 TYR A 79 -7.298 3.770 3.373 1.00 0.49 H new ATOM 0 HD1 TYR A 79 -10.182 5.457 1.678 1.00 2.09 H new ATOM 0 HD2 TYR A 79 -8.892 2.890 4.825 1.00 1.63 H new ATOM 0 HE1 TYR A 79 -12.593 5.000 2.302 1.00 2.16 H new ATOM 0 HE2 TYR A 79 -11.309 2.440 5.437 1.00 1.60 H new ATOM 0 HH TYR A 79 -13.927 3.796 3.519 1.00 0.79 H new ATOM 1121 N LYS A 80 -5.096 5.491 3.141 1.00 0.51 N ATOM 1122 CA LYS A 80 -3.729 5.609 2.661 1.00 0.53 C ATOM 1123 C LYS A 80 -3.006 4.276 2.865 1.00 0.51 C ATOM 1124 O LYS A 80 -2.783 3.853 3.998 1.00 0.50 O ATOM 1125 CB LYS A 80 -3.030 6.797 3.324 1.00 0.58 C ATOM 1126 CG LYS A 80 -1.524 6.769 3.050 1.00 1.13 C ATOM 1127 CD LYS A 80 -0.730 6.714 4.356 1.00 1.93 C ATOM 1128 CE LYS A 80 0.040 8.016 4.585 1.00 2.00 C ATOM 1129 NZ LYS A 80 -0.675 8.876 5.554 1.00 2.28 N ATOM 0 H LYS A 80 -5.209 4.900 3.964 1.00 0.51 H new ATOM 0 HA LYS A 80 -3.716 5.818 1.591 1.00 0.53 H new ATOM 0 HB2 LYS A 80 -3.454 7.729 2.950 1.00 0.58 H new ATOM 0 HB3 LYS A 80 -3.208 6.775 4.399 1.00 0.58 H new ATOM 0 HG2 LYS A 80 -1.279 5.903 2.435 1.00 1.13 H new ATOM 0 HG3 LYS A 80 -1.237 7.655 2.483 1.00 1.13 H new ATOM 0 HD2 LYS A 80 -1.408 6.537 5.191 1.00 1.93 H new ATOM 0 HD3 LYS A 80 -0.034 5.876 4.327 1.00 1.93 H new ATOM 0 HE2 LYS A 80 1.040 7.794 4.956 1.00 2.00 H new ATOM 0 HE3 LYS A 80 0.161 8.545 3.640 1.00 2.00 H new ATOM 0 HZ1 LYS A 80 -0.139 9.756 5.699 1.00 2.28 H new ATOM 0 HZ2 LYS A 80 -1.621 9.103 5.185 1.00 2.28 H new ATOM 0 HZ3 LYS A 80 -0.768 8.375 6.460 1.00 2.28 H new ATOM 1143 N VAL A 81 -2.659 3.651 1.750 1.00 0.54 N ATOM 1144 CA VAL A 81 -1.964 2.375 1.791 1.00 0.56 C ATOM 1145 C VAL A 81 -0.456 2.623 1.864 1.00 0.57 C ATOM 1146 O VAL A 81 0.166 2.985 0.866 1.00 0.70 O ATOM 1147 CB VAL A 81 -2.373 1.519 0.591 1.00 0.58 C ATOM 1148 CG1 VAL A 81 -1.510 0.257 0.500 1.00 0.54 C ATOM 1149 CG2 VAL A 81 -3.859 1.163 0.652 1.00 0.69 C ATOM 0 H VAL A 81 -2.846 4.004 0.812 1.00 0.54 H new ATOM 0 HA VAL A 81 -2.244 1.815 2.683 1.00 0.56 H new ATOM 0 HB VAL A 81 -2.207 2.106 -0.312 1.00 0.58 H new ATOM 0 HG11 VAL A 81 -1.820 -0.335 -0.361 1.00 0.54 H new ATOM 0 HG12 VAL A 81 -0.463 0.539 0.388 1.00 0.54 H new ATOM 0 HG13 VAL A 81 -1.631 -0.333 1.408 1.00 0.54 H new ATOM 0 HG21 VAL A 81 -4.123 0.554 -0.213 1.00 0.69 H new ATOM 0 HG22 VAL A 81 -4.062 0.604 1.565 1.00 0.69 H new ATOM 0 HG23 VAL A 81 -4.453 2.077 0.647 1.00 0.69 H new ATOM 1159 N ASP A 82 0.088 2.416 3.054 1.00 0.56 N ATOM 1160 CA ASP A 82 1.512 2.613 3.270 1.00 0.57 C ATOM 1161 C ASP A 82 2.253 1.306 2.978 1.00 0.59 C ATOM 1162 O ASP A 82 2.141 0.342 3.735 1.00 0.59 O ATOM 1163 CB ASP A 82 1.800 3.005 4.720 1.00 0.63 C ATOM 1164 CG ASP A 82 0.715 3.850 5.389 1.00 0.97 C ATOM 1165 OD1 ASP A 82 -0.475 3.505 5.357 1.00 2.34 O ATOM 1166 OD2 ASP A 82 1.139 4.921 5.971 1.00 1.20 O ATOM 0 H ASP A 82 -0.431 2.114 3.879 1.00 0.56 H new ATOM 0 HA ASP A 82 1.846 3.411 2.607 1.00 0.57 H new ATOM 0 HB2 ASP A 82 1.944 2.096 5.305 1.00 0.63 H new ATOM 0 HB3 ASP A 82 2.740 3.556 4.752 1.00 0.63 H new ATOM 1171 N TRP A 83 2.991 1.315 1.878 1.00 0.70 N ATOM 1172 CA TRP A 83 3.750 0.142 1.477 1.00 0.74 C ATOM 1173 C TRP A 83 5.221 0.393 1.814 1.00 0.77 C ATOM 1174 O TRP A 83 5.654 1.541 1.904 1.00 0.74 O ATOM 1175 CB TRP A 83 3.522 -0.179 -0.001 1.00 0.72 C ATOM 1176 CG TRP A 83 3.777 1.001 -0.941 1.00 0.65 C ATOM 1177 CD1 TRP A 83 2.877 1.728 -1.616 1.00 0.63 C ATOM 1178 CD2 TRP A 83 5.061 1.565 -1.284 1.00 0.63 C ATOM 1179 NE1 TRP A 83 3.484 2.715 -2.367 1.00 0.59 N ATOM 1180 CE2 TRP A 83 4.854 2.613 -2.158 1.00 0.59 C ATOM 1181 CE3 TRP A 83 6.354 1.203 -0.869 1.00 0.69 C ATOM 1182 CZ2 TRP A 83 5.894 3.383 -2.691 1.00 0.60 C ATOM 1183 CZ3 TRP A 83 7.383 1.982 -1.411 1.00 0.71 C ATOM 1184 CH2 TRP A 83 7.191 3.039 -2.292 1.00 0.67 C ATOM 0 H TRP A 83 3.080 2.115 1.252 1.00 0.70 H new ATOM 0 HA TRP A 83 3.414 -0.740 2.022 1.00 0.74 H new ATOM 0 HB2 TRP A 83 4.173 -1.005 -0.287 1.00 0.72 H new ATOM 0 HB3 TRP A 83 2.496 -0.521 -0.134 1.00 0.72 H new ATOM 0 HD1 TRP A 83 1.810 1.563 -1.578 1.00 0.63 H new ATOM 0 HE1 TRP A 83 3.013 3.394 -2.965 1.00 0.59 H new ATOM 0 HE3 TRP A 83 6.539 0.388 -0.185 1.00 0.69 H new ATOM 0 HZ2 TRP A 83 5.706 4.199 -3.373 1.00 0.60 H new ATOM 0 HZ3 TRP A 83 8.397 1.745 -1.124 1.00 0.71 H new ATOM 0 HH2 TRP A 83 8.039 3.593 -2.667 1.00 0.67 H new ATOM 1195 N ARG A 84 5.950 -0.700 1.990 1.00 0.86 N ATOM 1196 CA ARG A 84 7.362 -0.613 2.315 1.00 0.91 C ATOM 1197 C ARG A 84 8.132 -1.758 1.651 1.00 0.99 C ATOM 1198 O ARG A 84 8.081 -2.896 2.114 1.00 0.99 O ATOM 1199 CB ARG A 84 7.584 -0.670 3.827 1.00 0.97 C ATOM 1200 CG ARG A 84 7.128 0.627 4.498 1.00 1.22 C ATOM 1201 CD ARG A 84 5.822 0.418 5.267 1.00 2.11 C ATOM 1202 NE ARG A 84 5.822 1.237 6.499 1.00 2.02 N ATOM 1203 CZ ARG A 84 6.552 0.952 7.597 1.00 1.91 C ATOM 1204 NH1 ARG A 84 7.349 -0.138 7.628 1.00 2.42 N ATOM 1205 NH2 ARG A 84 6.475 1.754 8.643 1.00 2.63 N ATOM 0 H ARG A 84 5.588 -1.650 1.913 1.00 0.86 H new ATOM 0 HA ARG A 84 7.729 0.342 1.940 1.00 0.91 H new ATOM 0 HB2 ARG A 84 7.036 -1.513 4.247 1.00 0.97 H new ATOM 0 HB3 ARG A 84 8.640 -0.840 4.037 1.00 0.97 H new ATOM 0 HG2 ARG A 84 7.902 0.980 5.179 1.00 1.22 H new ATOM 0 HG3 ARG A 84 6.990 1.402 3.744 1.00 1.22 H new ATOM 0 HD2 ARG A 84 4.974 0.691 4.639 1.00 2.11 H new ATOM 0 HD3 ARG A 84 5.705 -0.635 5.521 1.00 2.11 H new ATOM 0 HE ARG A 84 5.233 2.070 6.519 1.00 2.02 H new ATOM 0 HH11 ARG A 84 7.403 -0.754 6.817 1.00 2.42 H new ATOM 0 HH12 ARG A 84 7.897 -0.345 8.463 1.00 2.42 H new ATOM 0 HH21 ARG A 84 5.870 2.575 8.613 1.00 2.63 H new ATOM 0 HH22 ARG A 84 7.020 1.553 9.481 1.00 2.63 H new ATOM 1219 N ALA A 85 8.825 -1.415 0.575 1.00 1.25 N ATOM 1220 CA ALA A 85 9.604 -2.399 -0.158 1.00 1.35 C ATOM 1221 C ALA A 85 11.008 -2.482 0.442 1.00 1.42 C ATOM 1222 O ALA A 85 11.512 -1.503 0.991 1.00 1.40 O ATOM 1223 CB ALA A 85 9.624 -2.031 -1.643 1.00 1.35 C ATOM 0 H ALA A 85 8.863 -0.470 0.193 1.00 1.25 H new ATOM 0 HA ALA A 85 9.152 -3.387 -0.073 1.00 1.35 H new ATOM 0 HB1 ALA A 85 10.208 -2.769 -2.193 1.00 1.35 H new ATOM 0 HB2 ALA A 85 8.604 -2.016 -2.028 1.00 1.35 H new ATOM 0 HB3 ALA A 85 10.074 -1.046 -1.768 1.00 1.35 H new ATOM 1229 N VAL A 86 11.602 -3.660 0.318 1.00 1.71 N ATOM 1230 CA VAL A 86 12.940 -3.883 0.841 1.00 1.84 C ATOM 1231 C VAL A 86 13.682 -4.862 -0.071 1.00 2.23 C ATOM 1232 O VAL A 86 13.305 -6.028 -0.175 1.00 2.73 O ATOM 1233 CB VAL A 86 12.860 -4.360 2.292 1.00 1.94 C ATOM 1234 CG1 VAL A 86 14.238 -4.784 2.805 1.00 2.30 C ATOM 1235 CG2 VAL A 86 12.248 -3.284 3.191 1.00 2.67 C ATOM 0 H VAL A 86 11.181 -4.470 -0.137 1.00 1.71 H new ATOM 0 HA VAL A 86 13.508 -2.953 0.849 1.00 1.84 H new ATOM 0 HB VAL A 86 12.207 -5.232 2.323 1.00 1.94 H new ATOM 0 HG11 VAL A 86 14.154 -5.119 3.839 1.00 2.30 H new ATOM 0 HG12 VAL A 86 14.621 -5.598 2.190 1.00 2.30 H new ATOM 0 HG13 VAL A 86 14.922 -3.937 2.752 1.00 2.30 H new ATOM 0 HG21 VAL A 86 12.203 -3.649 4.217 1.00 2.67 H new ATOM 0 HG22 VAL A 86 12.863 -2.385 3.153 1.00 2.67 H new ATOM 0 HG23 VAL A 86 11.241 -3.050 2.845 1.00 2.67 H new ATOM 1245 N SER A 87 14.726 -4.351 -0.708 1.00 2.30 N ATOM 1246 CA SER A 87 15.525 -5.166 -1.607 1.00 2.72 C ATOM 1247 C SER A 87 16.643 -5.862 -0.829 1.00 2.68 C ATOM 1248 O SER A 87 16.618 -7.080 -0.657 1.00 3.87 O ATOM 1249 CB SER A 87 16.113 -4.321 -2.739 1.00 3.09 C ATOM 1250 OG SER A 87 16.222 -2.946 -2.379 1.00 3.09 O ATOM 0 H SER A 87 15.037 -3.383 -0.619 1.00 2.30 H new ATOM 0 HA SER A 87 14.877 -5.921 -2.052 1.00 2.72 H new ATOM 0 HB2 SER A 87 17.098 -4.705 -3.004 1.00 3.09 H new ATOM 0 HB3 SER A 87 15.485 -4.415 -3.625 1.00 3.09 H new ATOM 0 HG SER A 87 16.603 -2.441 -3.128 1.00 3.09 H new ATOM 1256 N SER A 88 17.596 -5.060 -0.379 1.00 1.98 N ATOM 1257 CA SER A 88 18.720 -5.584 0.377 1.00 2.12 C ATOM 1258 C SER A 88 19.587 -4.434 0.892 1.00 2.09 C ATOM 1259 O SER A 88 19.903 -4.373 2.079 1.00 2.86 O ATOM 1260 CB SER A 88 19.559 -6.541 -0.473 1.00 2.76 C ATOM 1261 OG SER A 88 20.900 -6.638 -0.002 1.00 2.89 O ATOM 0 H SER A 88 17.613 -4.050 -0.524 1.00 1.98 H new ATOM 0 HA SER A 88 18.328 -6.144 1.226 1.00 2.12 H new ATOM 0 HB2 SER A 88 19.100 -7.530 -0.466 1.00 2.76 H new ATOM 0 HB3 SER A 88 19.562 -6.199 -1.508 1.00 2.76 H new ATOM 0 HG SER A 88 21.402 -7.259 -0.570 1.00 2.89 H new ATOM 1267 N ASP A 89 19.948 -3.550 -0.027 1.00 2.58 N ATOM 1268 CA ASP A 89 20.771 -2.404 0.319 1.00 3.10 C ATOM 1269 C ASP A 89 20.185 -1.712 1.551 1.00 2.64 C ATOM 1270 O ASP A 89 19.021 -1.922 1.888 1.00 3.40 O ATOM 1271 CB ASP A 89 20.808 -1.387 -0.823 1.00 4.38 C ATOM 1272 CG ASP A 89 22.150 -0.679 -1.016 1.00 5.36 C ATOM 1273 OD1 ASP A 89 22.921 -0.647 -0.033 1.00 5.44 O ATOM 1274 OD2 ASP A 89 22.375 -0.186 -2.143 1.00 6.54 O ATOM 0 H ASP A 89 19.685 -3.605 -1.011 1.00 2.58 H new ATOM 0 HA ASP A 89 21.782 -2.763 0.515 1.00 3.10 H new ATOM 0 HB2 ASP A 89 20.546 -1.896 -1.751 1.00 4.38 H new ATOM 0 HB3 ASP A 89 20.040 -0.635 -0.644 1.00 4.38 H new ATOM 1279 N THR A 90 21.017 -0.902 2.187 1.00 2.36 N ATOM 1280 CA THR A 90 20.594 -0.177 3.373 1.00 2.43 C ATOM 1281 C THR A 90 19.455 0.787 3.033 1.00 2.08 C ATOM 1282 O THR A 90 19.215 1.081 1.864 1.00 2.94 O ATOM 1283 CB THR A 90 21.822 0.519 3.965 1.00 3.36 C ATOM 1284 OG1 THR A 90 22.665 -0.554 4.374 1.00 4.01 O ATOM 1285 CG2 THR A 90 21.505 1.261 5.265 1.00 4.40 C ATOM 0 H THR A 90 21.982 -0.731 1.904 1.00 2.36 H new ATOM 0 HA THR A 90 20.190 -0.854 4.126 1.00 2.43 H new ATOM 0 HB THR A 90 22.228 1.221 3.237 1.00 3.36 H new ATOM 0 HG1 THR A 90 23.486 -0.193 4.768 1.00 4.01 H new ATOM 0 HG21 THR A 90 22.410 1.737 5.642 1.00 4.40 H new ATOM 0 HG22 THR A 90 20.748 2.022 5.074 1.00 4.40 H new ATOM 0 HG23 THR A 90 21.131 0.554 6.005 1.00 4.40 H new ATOM 1293 N HIS A 91 18.784 1.250 4.077 1.00 1.99 N ATOM 1294 CA HIS A 91 17.676 2.174 3.904 1.00 1.90 C ATOM 1295 C HIS A 91 16.511 1.456 3.218 1.00 1.45 C ATOM 1296 O HIS A 91 16.646 0.985 2.089 1.00 1.51 O ATOM 1297 CB HIS A 91 18.125 3.427 3.150 1.00 2.48 C ATOM 1298 CG HIS A 91 19.331 4.107 3.754 1.00 2.96 C ATOM 1299 ND1 HIS A 91 19.290 4.762 4.973 1.00 3.82 N ATOM 1300 CD2 HIS A 91 20.610 4.226 3.295 1.00 3.89 C ATOM 1301 CE1 HIS A 91 20.495 5.250 5.226 1.00 4.66 C ATOM 1302 NE2 HIS A 91 21.312 4.917 4.185 1.00 4.74 N ATOM 0 H HIS A 91 18.986 1.003 5.046 1.00 1.99 H new ATOM 0 HA HIS A 91 17.326 2.513 4.879 1.00 1.90 H new ATOM 0 HB2 HIS A 91 18.351 3.157 2.119 1.00 2.48 H new ATOM 0 HB3 HIS A 91 17.298 4.136 3.119 1.00 2.48 H new ATOM 0 HD2 HIS A 91 20.987 3.826 2.365 1.00 3.89 H new ATOM 0 HE1 HIS A 91 20.781 5.813 6.102 1.00 4.66 H new ATOM 0 HE2 HIS A 91 22.300 5.159 4.104 1.00 4.74 H new ATOM 1310 N PRO A 92 15.365 1.393 3.947 1.00 1.36 N ATOM 1311 CA PRO A 92 14.178 0.742 3.420 1.00 1.24 C ATOM 1312 C PRO A 92 13.497 1.611 2.362 1.00 1.19 C ATOM 1313 O PRO A 92 13.908 2.747 2.130 1.00 1.32 O ATOM 1314 CB PRO A 92 13.299 0.487 4.634 1.00 1.63 C ATOM 1315 CG PRO A 92 13.811 1.415 5.723 1.00 1.96 C ATOM 1316 CD PRO A 92 15.169 1.941 5.286 1.00 1.81 C ATOM 0 HA PRO A 92 14.405 -0.191 2.904 1.00 1.24 H new ATOM 0 HB2 PRO A 92 12.252 0.691 4.408 1.00 1.63 H new ATOM 0 HB3 PRO A 92 13.360 -0.555 4.948 1.00 1.63 H new ATOM 0 HG2 PRO A 92 13.115 2.239 5.881 1.00 1.96 H new ATOM 0 HG3 PRO A 92 13.895 0.882 6.670 1.00 1.96 H new ATOM 0 HD2 PRO A 92 15.187 3.031 5.274 1.00 1.81 H new ATOM 0 HD3 PRO A 92 15.957 1.617 5.966 1.00 1.81 H new ATOM 1324 N ILE A 93 12.471 1.044 1.747 1.00 1.29 N ATOM 1325 CA ILE A 93 11.729 1.753 0.718 1.00 1.37 C ATOM 1326 C ILE A 93 10.299 2.000 1.203 1.00 1.17 C ATOM 1327 O ILE A 93 9.396 1.222 0.904 1.00 1.40 O ATOM 1328 CB ILE A 93 11.806 1.002 -0.612 1.00 1.79 C ATOM 1329 CG1 ILE A 93 13.244 0.579 -0.920 1.00 2.28 C ATOM 1330 CG2 ILE A 93 11.197 1.829 -1.745 1.00 1.91 C ATOM 1331 CD1 ILE A 93 13.313 -0.906 -1.283 1.00 3.95 C ATOM 0 H ILE A 93 12.135 0.101 1.941 1.00 1.29 H new ATOM 0 HA ILE A 93 12.176 2.730 0.532 1.00 1.37 H new ATOM 0 HB ILE A 93 11.214 0.091 -0.525 1.00 1.79 H new ATOM 0 HG12 ILE A 93 13.634 1.177 -1.744 1.00 2.28 H new ATOM 0 HG13 ILE A 93 13.878 0.775 -0.055 1.00 2.28 H new ATOM 0 HG21 ILE A 93 11.265 1.272 -2.679 1.00 1.91 H new ATOM 0 HG22 ILE A 93 10.151 2.037 -1.522 1.00 1.91 H new ATOM 0 HG23 ILE A 93 11.741 2.769 -1.843 1.00 1.91 H new ATOM 0 HD11 ILE A 93 14.346 -1.181 -1.497 1.00 3.95 H new ATOM 0 HD12 ILE A 93 12.945 -1.502 -0.448 1.00 3.95 H new ATOM 0 HD13 ILE A 93 12.698 -1.095 -2.163 1.00 3.95 H new ATOM 1343 N THR A 94 10.138 3.086 1.946 1.00 0.99 N ATOM 1344 CA THR A 94 8.835 3.445 2.475 1.00 0.82 C ATOM 1345 C THR A 94 8.036 4.234 1.437 1.00 0.75 C ATOM 1346 O THR A 94 8.600 5.036 0.693 1.00 0.80 O ATOM 1347 CB THR A 94 9.049 4.206 3.784 1.00 0.74 C ATOM 1348 OG1 THR A 94 9.660 5.428 3.380 1.00 0.78 O ATOM 1349 CG2 THR A 94 10.096 3.545 4.682 1.00 0.79 C ATOM 0 H THR A 94 10.890 3.729 2.194 1.00 0.99 H new ATOM 0 HA THR A 94 8.239 2.558 2.692 1.00 0.82 H new ATOM 0 HB THR A 94 8.103 4.276 4.321 1.00 0.74 H new ATOM 0 HG1 THR A 94 9.832 5.984 4.168 1.00 0.78 H new ATOM 0 HG21 THR A 94 10.209 4.126 5.598 1.00 0.79 H new ATOM 0 HG22 THR A 94 9.775 2.533 4.931 1.00 0.79 H new ATOM 0 HG23 THR A 94 11.051 3.504 4.158 1.00 0.79 H new ATOM 1357 N GLY A 95 6.735 3.980 1.419 1.00 0.72 N ATOM 1358 CA GLY A 95 5.853 4.658 0.483 1.00 0.66 C ATOM 1359 C GLY A 95 4.388 4.482 0.887 1.00 0.65 C ATOM 1360 O GLY A 95 4.045 3.543 1.602 1.00 0.72 O ATOM 0 H GLY A 95 6.271 3.315 2.037 1.00 0.72 H new ATOM 0 HA2 GLY A 95 6.100 5.719 0.448 1.00 0.66 H new ATOM 0 HA3 GLY A 95 6.008 4.262 -0.521 1.00 0.66 H new ATOM 1364 N SER A 96 3.562 5.402 0.410 1.00 0.62 N ATOM 1365 CA SER A 96 2.141 5.362 0.711 1.00 0.63 C ATOM 1366 C SER A 96 1.342 5.942 -0.457 1.00 0.49 C ATOM 1367 O SER A 96 1.795 6.871 -1.124 1.00 0.54 O ATOM 1368 CB SER A 96 1.830 6.126 1.999 1.00 0.83 C ATOM 1369 OG SER A 96 3.012 6.447 2.728 1.00 0.96 O ATOM 0 H SER A 96 3.850 6.180 -0.183 1.00 0.62 H new ATOM 0 HA SER A 96 1.852 4.322 0.859 1.00 0.63 H new ATOM 0 HB2 SER A 96 1.294 7.043 1.756 1.00 0.83 H new ATOM 0 HB3 SER A 96 1.169 5.527 2.625 1.00 0.83 H new ATOM 0 HG SER A 96 2.771 6.936 3.543 1.00 0.96 H new ATOM 1375 N VAL A 97 0.165 5.372 -0.668 1.00 0.48 N ATOM 1376 CA VAL A 97 -0.703 5.820 -1.744 1.00 0.39 C ATOM 1377 C VAL A 97 -2.094 6.115 -1.181 1.00 0.41 C ATOM 1378 O VAL A 97 -2.809 5.200 -0.774 1.00 0.44 O ATOM 1379 CB VAL A 97 -0.719 4.784 -2.870 1.00 0.44 C ATOM 1380 CG1 VAL A 97 -1.469 5.317 -4.093 1.00 0.54 C ATOM 1381 CG2 VAL A 97 0.702 4.356 -3.241 1.00 0.49 C ATOM 0 H VAL A 97 -0.208 4.603 -0.112 1.00 0.48 H new ATOM 0 HA VAL A 97 -0.326 6.746 -2.179 1.00 0.39 H new ATOM 0 HB VAL A 97 -1.250 3.903 -2.509 1.00 0.44 H new ATOM 0 HG11 VAL A 97 -1.466 4.562 -4.879 1.00 0.54 H new ATOM 0 HG12 VAL A 97 -2.497 5.549 -3.816 1.00 0.54 H new ATOM 0 HG13 VAL A 97 -0.978 6.220 -4.456 1.00 0.54 H new ATOM 0 HG21 VAL A 97 0.662 3.619 -4.043 1.00 0.49 H new ATOM 0 HG22 VAL A 97 1.269 5.226 -3.574 1.00 0.49 H new ATOM 0 HG23 VAL A 97 1.189 3.918 -2.370 1.00 0.49 H new ATOM 1391 N THR A 98 -2.438 7.394 -1.178 1.00 0.43 N ATOM 1392 CA THR A 98 -3.733 7.820 -0.673 1.00 0.46 C ATOM 1393 C THR A 98 -4.787 7.749 -1.779 1.00 0.44 C ATOM 1394 O THR A 98 -4.503 8.070 -2.933 1.00 0.43 O ATOM 1395 CB THR A 98 -3.569 9.219 -0.077 1.00 0.51 C ATOM 1396 OG1 THR A 98 -4.799 9.452 0.605 1.00 0.62 O ATOM 1397 CG2 THR A 98 -3.528 10.311 -1.149 1.00 0.47 C ATOM 0 H THR A 98 -1.843 8.150 -1.517 1.00 0.43 H new ATOM 0 HA THR A 98 -4.090 7.155 0.114 1.00 0.46 H new ATOM 0 HB THR A 98 -2.655 9.256 0.516 1.00 0.51 H new ATOM 0 HG1 THR A 98 -5.141 8.605 0.960 1.00 0.62 H new ATOM 0 HG21 THR A 98 -3.410 11.284 -0.673 1.00 0.47 H new ATOM 0 HG22 THR A 98 -2.688 10.131 -1.819 1.00 0.47 H new ATOM 0 HG23 THR A 98 -4.457 10.296 -1.719 1.00 0.47 H new ATOM 1405 N PHE A 99 -5.980 7.327 -1.389 1.00 0.46 N ATOM 1406 CA PHE A 99 -7.078 7.210 -2.333 1.00 0.46 C ATOM 1407 C PHE A 99 -8.426 7.396 -1.634 1.00 0.50 C ATOM 1408 O PHE A 99 -8.547 7.144 -0.435 1.00 0.50 O ATOM 1409 CB PHE A 99 -7.014 5.799 -2.922 1.00 0.45 C ATOM 1410 CG PHE A 99 -7.447 4.699 -1.952 1.00 0.47 C ATOM 1411 CD1 PHE A 99 -6.577 4.238 -1.014 1.00 1.51 C ATOM 1412 CD2 PHE A 99 -8.703 4.183 -2.027 1.00 1.94 C ATOM 1413 CE1 PHE A 99 -6.980 3.216 -0.114 1.00 1.50 C ATOM 1414 CE2 PHE A 99 -9.106 3.162 -1.126 1.00 1.97 C ATOM 1415 CZ PHE A 99 -8.236 2.700 -0.189 1.00 0.54 C ATOM 0 H PHE A 99 -6.211 7.062 -0.432 1.00 0.46 H new ATOM 0 HA PHE A 99 -6.989 7.977 -3.102 1.00 0.46 H new ATOM 0 HB2 PHE A 99 -7.647 5.757 -3.808 1.00 0.45 H new ATOM 0 HB3 PHE A 99 -5.994 5.599 -3.250 1.00 0.45 H new ATOM 0 HD1 PHE A 99 -5.580 4.649 -0.954 1.00 1.51 H new ATOM 0 HD2 PHE A 99 -9.394 4.550 -2.772 1.00 1.94 H new ATOM 0 HE1 PHE A 99 -6.289 2.849 0.630 1.00 1.50 H new ATOM 0 HE2 PHE A 99 -10.104 2.753 -1.185 1.00 1.97 H new ATOM 0 HZ PHE A 99 -8.542 1.923 0.496 1.00 0.54 H new ATOM 1425 N LYS A 100 -9.405 7.836 -2.411 1.00 0.55 N ATOM 1426 CA LYS A 100 -10.739 8.058 -1.880 1.00 0.59 C ATOM 1427 C LYS A 100 -11.657 6.920 -2.328 1.00 0.58 C ATOM 1428 O LYS A 100 -11.334 6.188 -3.262 1.00 0.58 O ATOM 1429 CB LYS A 100 -11.246 9.448 -2.270 1.00 0.69 C ATOM 1430 CG LYS A 100 -10.417 10.544 -1.597 1.00 0.73 C ATOM 1431 CD LYS A 100 -11.138 11.892 -1.657 1.00 1.40 C ATOM 1432 CE LYS A 100 -12.484 11.826 -0.932 1.00 2.75 C ATOM 1433 NZ LYS A 100 -12.568 12.882 0.101 1.00 2.98 N ATOM 0 H LYS A 100 -9.301 8.045 -3.404 1.00 0.55 H new ATOM 0 HA LYS A 100 -10.723 8.044 -0.790 1.00 0.59 H new ATOM 0 HB2 LYS A 100 -11.199 9.565 -3.353 1.00 0.69 H new ATOM 0 HB3 LYS A 100 -12.292 9.551 -1.983 1.00 0.69 H new ATOM 0 HG2 LYS A 100 -10.227 10.275 -0.558 1.00 0.73 H new ATOM 0 HG3 LYS A 100 -9.447 10.624 -2.088 1.00 0.73 H new ATOM 0 HD2 LYS A 100 -10.514 12.663 -1.204 1.00 1.40 H new ATOM 0 HD3 LYS A 100 -11.295 12.179 -2.697 1.00 1.40 H new ATOM 0 HE2 LYS A 100 -13.296 11.945 -1.649 1.00 2.75 H new ATOM 0 HE3 LYS A 100 -12.607 10.846 -0.470 1.00 2.75 H new ATOM 0 HZ1 LYS A 100 -13.473 12.802 0.606 1.00 2.98 H new ATOM 0 HZ2 LYS A 100 -11.784 12.771 0.775 1.00 2.98 H new ATOM 0 HZ3 LYS A 100 -12.506 13.816 -0.352 1.00 2.98 H new ATOM 1447 N VAL A 101 -12.786 6.807 -1.641 1.00 0.60 N ATOM 1448 CA VAL A 101 -13.754 5.770 -1.958 1.00 0.62 C ATOM 1449 C VAL A 101 -15.165 6.355 -1.874 1.00 0.72 C ATOM 1450 O VAL A 101 -15.578 6.846 -0.825 1.00 0.74 O ATOM 1451 CB VAL A 101 -13.550 4.566 -1.035 1.00 0.55 C ATOM 1452 CG1 VAL A 101 -14.550 3.454 -1.358 1.00 0.68 C ATOM 1453 CG2 VAL A 101 -12.112 4.051 -1.117 1.00 0.43 C ATOM 0 H VAL A 101 -13.051 7.416 -0.867 1.00 0.60 H new ATOM 0 HA VAL A 101 -13.611 5.410 -2.977 1.00 0.62 H new ATOM 0 HB VAL A 101 -13.731 4.893 -0.011 1.00 0.55 H new ATOM 0 HG11 VAL A 101 -14.384 2.610 -0.689 1.00 0.68 H new ATOM 0 HG12 VAL A 101 -15.565 3.828 -1.226 1.00 0.68 H new ATOM 0 HG13 VAL A 101 -14.414 3.131 -2.390 1.00 0.68 H new ATOM 0 HG21 VAL A 101 -11.993 3.196 -0.452 1.00 0.43 H new ATOM 0 HG22 VAL A 101 -11.892 3.748 -2.141 1.00 0.43 H new ATOM 0 HG23 VAL A 101 -11.425 4.842 -0.817 1.00 0.43 H new ATOM 1463 N LYS A 102 -15.867 6.283 -2.996 1.00 0.81 N ATOM 1464 CA LYS A 102 -17.224 6.798 -3.064 1.00 0.92 C ATOM 1465 C LYS A 102 -18.194 5.639 -3.297 1.00 1.02 C ATOM 1466 O LYS A 102 -19.378 5.742 -2.979 1.00 1.31 O ATOM 1467 CB LYS A 102 -17.324 7.905 -4.115 1.00 0.95 C ATOM 1468 CG LYS A 102 -16.378 9.061 -3.786 1.00 0.86 C ATOM 1469 CD LYS A 102 -17.147 10.255 -3.218 1.00 1.15 C ATOM 1470 CE LYS A 102 -16.561 11.576 -3.721 1.00 1.82 C ATOM 1471 NZ LYS A 102 -16.705 11.680 -5.191 1.00 3.60 N ATOM 1472 OXT LYS A 102 -17.881 4.492 -2.987 1.00 1.26 O ATOM 0 H LYS A 102 -15.521 5.876 -3.865 1.00 0.81 H new ATOM 0 HA LYS A 102 -17.504 7.262 -2.118 1.00 0.92 H new ATOM 0 HB2 LYS A 102 -17.082 7.501 -5.098 1.00 0.95 H new ATOM 0 HB3 LYS A 102 -18.349 8.272 -4.165 1.00 0.95 H new ATOM 0 HG2 LYS A 102 -15.630 8.730 -3.066 1.00 0.86 H new ATOM 0 HG3 LYS A 102 -15.842 9.364 -4.685 1.00 0.86 H new ATOM 0 HD2 LYS A 102 -18.196 10.186 -3.505 1.00 1.15 H new ATOM 0 HD3 LYS A 102 -17.112 10.229 -2.129 1.00 1.15 H new ATOM 0 HE2 LYS A 102 -17.068 12.412 -3.240 1.00 1.82 H new ATOM 0 HE3 LYS A 102 -15.508 11.641 -3.447 1.00 1.82 H new ATOM 0 HZ1 LYS A 102 -15.763 11.701 -5.631 1.00 3.60 H new ATOM 0 HZ2 LYS A 102 -17.235 10.859 -5.547 1.00 3.60 H new ATOM 0 HZ3 LYS A 102 -17.218 12.553 -5.429 1.00 3.60 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.731 1.459 -4.145 1.00 0.98 CU