USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 528 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 26 THR OG1 : rot -177:sc= 0.0311 USER MOD Set 1.2: A 29 SER OG : rot 102:sc= 0.254 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0236) USER MOD Single : A 5 THR OG1 : rot 63:sc= 0.984 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 1:sc= 0.626 USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -0.12 (180deg=-0.862) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0521 (180deg=-0.733) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0951) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 152:sc= -0.219 (180deg=-0.954) USER MOD Single : A 47 ASN : amide:sc=-0.00527 X(o=-0.0053,f=0.14) USER MOD Single : A 55 ASN : amide:sc= 0.217 X(o=0.22,f=-0.048) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -101:sc= -0.749 USER MOD Single : A 68 GLN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 69 GLN : amide:sc=-0.00846 X(o=-0.0085,f=-0.012) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.217 -3.251 8.002 1.00 0.00 N ATOM 2 CA ALA A 1 -8.181 -3.435 6.557 1.00 71.14 C ATOM 3 C ALA A 1 -8.429 -4.892 6.183 1.00 23.44 C ATOM 4 O ALA A 1 -7.858 -5.804 6.784 1.00 53.34 O ATOM 5 CB ALA A 1 -6.847 -2.964 5.997 1.00 53.34 C ATOM 0 H1 ALA A 1 -8.045 -2.251 8.229 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.150 -3.533 8.365 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.481 -3.838 8.445 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.978 -2.834 6.120 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -6.835 -3.108 4.917 1.00 53.34 H new ATOM 0 HB2 ALA A 1 -6.710 -1.907 6.224 1.00 53.34 H new ATOM 0 HB3 ALA A 1 -6.039 -3.540 6.449 1.00 53.34 H new ATOM 11 N LYS A 2 -9.283 -5.107 5.188 1.00 44.11 N ATOM 12 CA LYS A 2 -9.605 -6.454 4.733 1.00 71.51 C ATOM 13 C LYS A 2 -8.387 -7.123 4.105 1.00 22.02 C ATOM 14 O LYS A 2 -7.582 -6.472 3.439 1.00 3.43 O ATOM 15 CB LYS A 2 -10.754 -6.412 3.723 1.00 1.00 C ATOM 16 CG LYS A 2 -12.005 -5.732 4.252 1.00 15.04 C ATOM 17 CD LYS A 2 -13.097 -6.740 4.567 1.00 32.04 C ATOM 18 CE LYS A 2 -14.474 -6.093 4.556 1.00 44.00 C ATOM 19 NZ LYS A 2 -14.903 -5.677 5.919 1.00 13.33 N ATOM 0 H LYS A 2 -9.765 -4.365 4.681 1.00 44.11 H new ATOM 0 HA LYS A 2 -9.912 -7.039 5.600 1.00 71.51 H new ATOM 0 HB2 LYS A 2 -10.419 -5.891 2.826 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.003 -7.431 3.426 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -11.760 -5.167 5.151 1.00 15.04 H new ATOM 0 HG3 LYS A 2 -12.371 -5.017 3.515 1.00 15.04 H new ATOM 0 HD2 LYS A 2 -13.068 -7.549 3.837 1.00 32.04 H new ATOM 0 HD3 LYS A 2 -12.911 -7.186 5.544 1.00 32.04 H new ATOM 0 HE2 LYS A 2 -14.461 -5.224 3.898 1.00 44.00 H new ATOM 0 HE3 LYS A 2 -15.201 -6.793 4.145 1.00 44.00 H new ATOM 0 HZ1 LYS A 2 -15.846 -5.241 5.868 1.00 13.33 H new ATOM 0 HZ2 LYS A 2 -14.940 -6.510 6.541 1.00 13.33 H new ATOM 0 HZ3 LYS A 2 -14.224 -4.989 6.302 1.00 13.33 H new ATOM 29 N LYS A 3 -8.257 -8.428 4.319 1.00 34.23 N ATOM 30 CA LYS A 3 -7.139 -9.187 3.772 1.00 32.02 C ATOM 31 C LYS A 3 -7.001 -8.947 2.272 1.00 3.14 C ATOM 32 O LYS A 3 -5.892 -8.824 1.755 1.00 22.43 O ATOM 33 CB LYS A 3 -7.328 -10.681 4.046 1.00 45.30 C ATOM 34 CG LYS A 3 -7.633 -10.999 5.499 1.00 24.23 C ATOM 35 CD LYS A 3 -8.945 -11.751 5.641 1.00 2.44 C ATOM 36 CE LYS A 3 -8.865 -13.136 5.019 1.00 23.54 C ATOM 37 NZ LYS A 3 -8.044 -14.067 5.842 1.00 31.50 N ATOM 0 H LYS A 3 -8.913 -8.983 4.868 1.00 34.23 H new ATOM 0 HA LYS A 3 -6.226 -8.847 4.262 1.00 32.02 H new ATOM 0 HB2 LYS A 3 -8.140 -11.056 3.423 1.00 45.30 H new ATOM 0 HB3 LYS A 3 -6.425 -11.214 3.748 1.00 45.30 H new ATOM 0 HG2 LYS A 3 -6.823 -11.595 5.920 1.00 24.23 H new ATOM 0 HG3 LYS A 3 -7.679 -10.074 6.073 1.00 24.23 H new ATOM 0 HD2 LYS A 3 -9.202 -11.840 6.697 1.00 2.44 H new ATOM 0 HD3 LYS A 3 -9.744 -11.183 5.165 1.00 2.44 H new ATOM 0 HE2 LYS A 3 -9.870 -13.542 4.906 1.00 23.54 H new ATOM 0 HE3 LYS A 3 -8.437 -13.061 4.019 1.00 23.54 H new ATOM 0 HZ1 LYS A 3 -8.110 -15.028 5.450 1.00 31.50 H new ATOM 0 HZ2 LYS A 3 -7.051 -13.756 5.831 1.00 31.50 H new ATOM 0 HZ3 LYS A 3 -8.396 -14.068 6.821 1.00 31.50 H new ATOM 47 N GLU A 4 -8.134 -8.880 1.581 1.00 13.21 N ATOM 48 CA GLU A 4 -8.137 -8.654 0.141 1.00 51.43 C ATOM 49 C GLU A 4 -7.302 -7.429 -0.219 1.00 62.15 C ATOM 50 O GLU A 4 -6.552 -7.439 -1.196 1.00 23.24 O ATOM 51 CB GLU A 4 -9.570 -8.476 -0.366 1.00 53.42 C ATOM 52 CG GLU A 4 -10.336 -7.376 0.350 1.00 41.54 C ATOM 53 CD GLU A 4 -11.838 -7.519 0.198 1.00 53.33 C ATOM 54 OE1 GLU A 4 -12.372 -7.095 -0.848 1.00 63.22 O ATOM 55 OE2 GLU A 4 -12.481 -8.054 1.126 1.00 12.33 O ATOM 0 H GLU A 4 -9.061 -8.979 1.995 1.00 13.21 H new ATOM 0 HA GLU A 4 -7.695 -9.527 -0.339 1.00 51.43 H new ATOM 0 HB2 GLU A 4 -9.544 -8.254 -1.433 1.00 53.42 H new ATOM 0 HB3 GLU A 4 -10.108 -9.417 -0.249 1.00 53.42 H new ATOM 0 HG2 GLU A 4 -10.079 -7.389 1.409 1.00 41.54 H new ATOM 0 HG3 GLU A 4 -10.025 -6.407 -0.042 1.00 41.54 H new ATOM 60 N THR A 5 -7.439 -6.372 0.576 1.00 65.20 N ATOM 61 CA THR A 5 -6.700 -5.138 0.340 1.00 22.24 C ATOM 62 C THR A 5 -5.248 -5.273 0.787 1.00 72.50 C ATOM 63 O THR A 5 -4.334 -4.799 0.112 1.00 55.03 O ATOM 64 CB THR A 5 -7.343 -3.949 1.077 1.00 13.35 C ATOM 65 OG1 THR A 5 -8.455 -4.400 1.859 1.00 1.15 O ATOM 66 CG2 THR A 5 -7.808 -2.889 0.091 1.00 1.51 C ATOM 0 H THR A 5 -8.055 -6.346 1.389 1.00 65.20 H new ATOM 0 HA THR A 5 -6.731 -4.951 -0.733 1.00 22.24 H new ATOM 0 HB THR A 5 -6.592 -3.509 1.733 1.00 13.35 H new ATOM 0 HG1 THR A 5 -8.141 -5.028 2.542 1.00 1.15 H new ATOM 0 HG21 THR A 5 -8.259 -2.059 0.635 1.00 1.51 H new ATOM 0 HG22 THR A 5 -6.955 -2.526 -0.483 1.00 1.51 H new ATOM 0 HG23 THR A 5 -8.544 -3.321 -0.587 1.00 1.51 H new ATOM 74 N ILE A 6 -5.043 -5.923 1.928 1.00 35.41 N ATOM 75 CA ILE A 6 -3.702 -6.122 2.463 1.00 34.22 C ATOM 76 C ILE A 6 -2.821 -6.874 1.473 1.00 60.42 C ATOM 77 O ILE A 6 -1.645 -6.551 1.301 1.00 52.31 O ATOM 78 CB ILE A 6 -3.736 -6.895 3.795 1.00 72.51 C ATOM 79 CG1 ILE A 6 -4.584 -6.146 4.824 1.00 60.51 C ATOM 80 CG2 ILE A 6 -2.324 -7.111 4.319 1.00 51.42 C ATOM 81 CD1 ILE A 6 -4.777 -6.907 6.118 1.00 64.55 C ATOM 0 H ILE A 6 -5.789 -6.321 2.499 1.00 35.41 H new ATOM 0 HA ILE A 6 -3.282 -5.132 2.638 1.00 34.22 H new ATOM 0 HB ILE A 6 -4.190 -7.870 3.620 1.00 72.51 H new ATOM 0 HG12 ILE A 6 -4.113 -5.188 5.042 1.00 60.51 H new ATOM 0 HG13 ILE A 6 -5.560 -5.930 4.390 1.00 60.51 H new ATOM 0 HG21 ILE A 6 -2.365 -7.658 5.261 1.00 51.42 H new ATOM 0 HG22 ILE A 6 -1.749 -7.684 3.591 1.00 51.42 H new ATOM 0 HG23 ILE A 6 -1.844 -6.146 4.481 1.00 51.42 H new ATOM 0 HD11 ILE A 6 -5.388 -6.316 6.800 1.00 64.55 H new ATOM 0 HD12 ILE A 6 -5.276 -7.854 5.912 1.00 64.55 H new ATOM 0 HD13 ILE A 6 -3.806 -7.100 6.575 1.00 64.55 H new ATOM 92 N ASP A 7 -3.397 -7.879 0.822 1.00 32.51 N ATOM 93 CA ASP A 7 -2.664 -8.678 -0.155 1.00 15.52 C ATOM 94 C ASP A 7 -2.437 -7.888 -1.441 1.00 31.44 C ATOM 95 O ASP A 7 -1.404 -8.031 -2.095 1.00 71.14 O ATOM 96 CB ASP A 7 -3.424 -9.969 -0.462 1.00 54.40 C ATOM 97 CG ASP A 7 -2.881 -11.156 0.306 1.00 35.50 C ATOM 98 OD1 ASP A 7 -2.552 -10.991 1.500 1.00 72.25 O ATOM 99 OD2 ASP A 7 -2.784 -12.253 -0.285 1.00 4.14 O ATOM 0 H ASP A 7 -4.369 -8.160 0.953 1.00 32.51 H new ATOM 0 HA ASP A 7 -1.693 -8.930 0.272 1.00 15.52 H new ATOM 0 HB2 ASP A 7 -4.478 -9.834 -0.218 1.00 54.40 H new ATOM 0 HB3 ASP A 7 -3.368 -10.175 -1.531 1.00 54.40 H new ATOM 103 N LYS A 8 -3.408 -7.055 -1.796 1.00 53.44 N ATOM 104 CA LYS A 8 -3.316 -6.242 -3.004 1.00 30.11 C ATOM 105 C LYS A 8 -2.164 -5.248 -2.903 1.00 4.24 C ATOM 106 O LYS A 8 -1.246 -5.258 -3.724 1.00 72.22 O ATOM 107 CB LYS A 8 -4.629 -5.494 -3.242 1.00 4.53 C ATOM 108 CG LYS A 8 -5.673 -6.316 -3.977 1.00 33.54 C ATOM 109 CD LYS A 8 -5.360 -6.417 -5.460 1.00 71.31 C ATOM 110 CE LYS A 8 -5.847 -5.193 -6.219 1.00 14.15 C ATOM 111 NZ LYS A 8 -7.016 -5.506 -7.086 1.00 63.25 N ATOM 0 H LYS A 8 -4.269 -6.924 -1.265 1.00 53.44 H new ATOM 0 HA LYS A 8 -3.127 -6.907 -3.846 1.00 30.11 H new ATOM 0 HB2 LYS A 8 -5.037 -5.179 -2.282 1.00 4.53 H new ATOM 0 HB3 LYS A 8 -4.423 -4.589 -3.813 1.00 4.53 H new ATOM 0 HG2 LYS A 8 -5.720 -7.316 -3.545 1.00 33.54 H new ATOM 0 HG3 LYS A 8 -6.655 -5.863 -3.841 1.00 33.54 H new ATOM 0 HD2 LYS A 8 -4.285 -6.528 -5.599 1.00 71.31 H new ATOM 0 HD3 LYS A 8 -5.828 -7.311 -5.871 1.00 71.31 H new ATOM 0 HE2 LYS A 8 -6.120 -4.411 -5.510 1.00 14.15 H new ATOM 0 HE3 LYS A 8 -5.036 -4.799 -6.831 1.00 14.15 H new ATOM 0 HZ1 LYS A 8 -7.318 -4.645 -7.586 1.00 63.25 H new ATOM 0 HZ2 LYS A 8 -6.749 -6.234 -7.779 1.00 63.25 H new ATOM 0 HZ3 LYS A 8 -7.799 -5.858 -6.499 1.00 63.25 H new ATOM 121 N VAL A 9 -2.215 -4.389 -1.889 1.00 32.55 N ATOM 122 CA VAL A 9 -1.173 -3.391 -1.678 1.00 53.21 C ATOM 123 C VAL A 9 0.205 -4.038 -1.618 1.00 41.11 C ATOM 124 O VAL A 9 1.143 -3.588 -2.276 1.00 2.22 O ATOM 125 CB VAL A 9 -1.412 -2.596 -0.381 1.00 52.11 C ATOM 126 CG1 VAL A 9 -0.380 -1.487 -0.236 1.00 73.41 C ATOM 127 CG2 VAL A 9 -2.823 -2.027 -0.357 1.00 72.11 C ATOM 0 H VAL A 9 -2.967 -4.365 -1.201 1.00 32.55 H new ATOM 0 HA VAL A 9 -1.213 -2.708 -2.527 1.00 53.21 H new ATOM 0 HB VAL A 9 -1.303 -3.275 0.465 1.00 52.11 H new ATOM 0 HG11 VAL A 9 -0.565 -0.936 0.686 1.00 73.41 H new ATOM 0 HG12 VAL A 9 0.619 -1.922 -0.205 1.00 73.41 H new ATOM 0 HG13 VAL A 9 -0.454 -0.808 -1.085 1.00 73.41 H new ATOM 0 HG21 VAL A 9 -2.974 -1.468 0.567 1.00 72.11 H new ATOM 0 HG22 VAL A 9 -2.962 -1.363 -1.210 1.00 72.11 H new ATOM 0 HG23 VAL A 9 -3.545 -2.842 -0.411 1.00 72.11 H new ATOM 137 N SER A 10 0.321 -5.098 -0.825 1.00 32.25 N ATOM 138 CA SER A 10 1.586 -5.808 -0.676 1.00 1.24 C ATOM 139 C SER A 10 2.116 -6.264 -2.031 1.00 24.22 C ATOM 140 O SER A 10 3.321 -6.445 -2.211 1.00 52.03 O ATOM 141 CB SER A 10 1.414 -7.013 0.250 1.00 24.12 C ATOM 142 OG SER A 10 0.405 -7.884 -0.230 1.00 72.00 O ATOM 0 H SER A 10 -0.446 -5.485 -0.275 1.00 32.25 H new ATOM 0 HA SER A 10 2.309 -5.122 -0.235 1.00 1.24 H new ATOM 0 HB2 SER A 10 2.358 -7.553 0.329 1.00 24.12 H new ATOM 0 HB3 SER A 10 1.157 -6.671 1.253 1.00 24.12 H new ATOM 0 HG SER A 10 0.037 -7.529 -1.066 1.00 72.00 H new ATOM 147 N ASP A 11 1.208 -6.450 -2.983 1.00 15.42 N ATOM 148 CA ASP A 11 1.582 -6.885 -4.323 1.00 40.30 C ATOM 149 C ASP A 11 2.239 -5.748 -5.100 1.00 1.21 C ATOM 150 O ASP A 11 3.261 -5.943 -5.757 1.00 43.42 O ATOM 151 CB ASP A 11 0.353 -7.392 -5.080 1.00 33.45 C ATOM 152 CG ASP A 11 0.721 -8.229 -6.288 1.00 63.31 C ATOM 153 OD1 ASP A 11 1.862 -8.739 -6.332 1.00 52.42 O ATOM 154 OD2 ASP A 11 -0.130 -8.378 -7.189 1.00 0.14 O ATOM 0 H ASP A 11 0.207 -6.306 -2.851 1.00 15.42 H new ATOM 0 HA ASP A 11 2.301 -7.699 -4.226 1.00 40.30 H new ATOM 0 HB2 ASP A 11 -0.266 -7.984 -4.406 1.00 33.45 H new ATOM 0 HB3 ASP A 11 -0.249 -6.542 -5.401 1.00 33.45 H new ATOM 158 N ILE A 12 1.644 -4.563 -5.019 1.00 52.42 N ATOM 159 CA ILE A 12 2.172 -3.395 -5.715 1.00 73.25 C ATOM 160 C ILE A 12 3.642 -3.173 -5.378 1.00 25.20 C ATOM 161 O ILE A 12 4.428 -2.747 -6.226 1.00 74.35 O ATOM 162 CB ILE A 12 1.378 -2.123 -5.362 1.00 73.01 C ATOM 163 CG1 ILE A 12 0.128 -2.017 -6.238 1.00 0.14 C ATOM 164 CG2 ILE A 12 2.254 -0.890 -5.526 1.00 75.34 C ATOM 165 CD1 ILE A 12 -0.854 -3.148 -6.030 1.00 21.14 C ATOM 0 H ILE A 12 0.797 -4.386 -4.479 1.00 52.42 H new ATOM 0 HA ILE A 12 2.072 -3.591 -6.782 1.00 73.25 H new ATOM 0 HB ILE A 12 1.064 -2.185 -4.320 1.00 73.01 H new ATOM 0 HG12 ILE A 12 -0.371 -1.071 -6.031 1.00 0.14 H new ATOM 0 HG13 ILE A 12 0.429 -1.996 -7.285 1.00 0.14 H new ATOM 0 HG21 ILE A 12 1.679 0.001 -5.273 1.00 75.34 H new ATOM 0 HG22 ILE A 12 3.116 -0.966 -4.864 1.00 75.34 H new ATOM 0 HG23 ILE A 12 2.595 -0.821 -6.559 1.00 75.34 H new ATOM 0 HD11 ILE A 12 -1.715 -3.007 -6.683 1.00 21.14 H new ATOM 0 HD12 ILE A 12 -0.371 -4.097 -6.265 1.00 21.14 H new ATOM 0 HD13 ILE A 12 -1.184 -3.157 -4.991 1.00 21.14 H new ATOM 176 N VAL A 13 4.010 -3.466 -4.134 1.00 42.13 N ATOM 177 CA VAL A 13 5.387 -3.301 -3.686 1.00 30.24 C ATOM 178 C VAL A 13 6.295 -4.363 -4.296 1.00 43.12 C ATOM 179 O VAL A 13 7.434 -4.082 -4.669 1.00 31.44 O ATOM 180 CB VAL A 13 5.490 -3.374 -2.150 1.00 52.25 C ATOM 181 CG1 VAL A 13 6.894 -3.011 -1.691 1.00 42.35 C ATOM 182 CG2 VAL A 13 4.455 -2.465 -1.504 1.00 5.34 C ATOM 0 H VAL A 13 3.373 -3.819 -3.419 1.00 42.13 H new ATOM 0 HA VAL A 13 5.712 -2.315 -4.019 1.00 30.24 H new ATOM 0 HB VAL A 13 5.286 -4.398 -1.837 1.00 52.25 H new ATOM 0 HG11 VAL A 13 6.948 -3.068 -0.604 1.00 42.35 H new ATOM 0 HG12 VAL A 13 7.611 -3.707 -2.127 1.00 42.35 H new ATOM 0 HG13 VAL A 13 7.131 -1.997 -2.013 1.00 42.35 H new ATOM 0 HG21 VAL A 13 4.541 -2.529 -0.419 1.00 5.34 H new ATOM 0 HG22 VAL A 13 4.625 -1.436 -1.822 1.00 5.34 H new ATOM 0 HG23 VAL A 13 3.456 -2.778 -1.807 1.00 5.34 H new ATOM 192 N LYS A 14 5.783 -5.584 -4.397 1.00 60.42 N ATOM 193 CA LYS A 14 6.545 -6.690 -4.964 1.00 40.42 C ATOM 194 C LYS A 14 6.857 -6.437 -6.436 1.00 73.51 C ATOM 195 O LYS A 14 7.965 -6.704 -6.899 1.00 22.13 O ATOM 196 CB LYS A 14 5.771 -8.001 -4.814 1.00 74.22 C ATOM 197 CG LYS A 14 5.252 -8.243 -3.406 1.00 61.04 C ATOM 198 CD LYS A 14 5.678 -9.604 -2.882 1.00 14.21 C ATOM 199 CE LYS A 14 6.819 -9.484 -1.883 1.00 55.40 C ATOM 200 NZ LYS A 14 6.438 -8.660 -0.703 1.00 2.23 N ATOM 0 H LYS A 14 4.842 -5.833 -4.093 1.00 60.42 H new ATOM 0 HA LYS A 14 7.486 -6.767 -4.419 1.00 40.42 H new ATOM 0 HB2 LYS A 14 4.930 -7.998 -5.507 1.00 74.22 H new ATOM 0 HB3 LYS A 14 6.418 -8.830 -5.101 1.00 74.22 H new ATOM 0 HG2 LYS A 14 5.624 -7.463 -2.741 1.00 61.04 H new ATOM 0 HG3 LYS A 14 4.164 -8.174 -3.401 1.00 61.04 H new ATOM 0 HD2 LYS A 14 4.828 -10.095 -2.408 1.00 14.21 H new ATOM 0 HD3 LYS A 14 5.987 -10.235 -3.715 1.00 14.21 H new ATOM 0 HE2 LYS A 14 7.117 -10.478 -1.551 1.00 55.40 H new ATOM 0 HE3 LYS A 14 7.685 -9.039 -2.373 1.00 55.40 H new ATOM 0 HZ1 LYS A 14 6.976 -8.976 0.129 1.00 2.23 H new ATOM 0 HZ2 LYS A 14 6.651 -7.660 -0.894 1.00 2.23 H new ATOM 0 HZ3 LYS A 14 5.420 -8.768 -0.518 1.00 2.23 H new ATOM 210 N GLU A 15 5.873 -5.921 -7.164 1.00 73.23 N ATOM 211 CA GLU A 15 6.043 -5.632 -8.583 1.00 24.00 C ATOM 212 C GLU A 15 7.178 -4.635 -8.803 1.00 63.20 C ATOM 213 O GLU A 15 7.824 -4.634 -9.851 1.00 3.31 O ATOM 214 CB GLU A 15 4.745 -5.082 -9.175 1.00 12.52 C ATOM 215 CG GLU A 15 3.545 -5.991 -8.965 1.00 24.43 C ATOM 216 CD GLU A 15 2.921 -6.443 -10.269 1.00 52.33 C ATOM 217 OE1 GLU A 15 3.592 -7.170 -11.030 1.00 3.10 O ATOM 218 OE2 GLU A 15 1.757 -6.069 -10.530 1.00 34.03 O ATOM 0 H GLU A 15 4.950 -5.694 -6.795 1.00 73.23 H new ATOM 0 HA GLU A 15 6.297 -6.564 -9.088 1.00 24.00 H new ATOM 0 HB2 GLU A 15 4.536 -4.110 -8.729 1.00 12.52 H new ATOM 0 HB3 GLU A 15 4.884 -4.919 -10.244 1.00 12.52 H new ATOM 0 HG2 GLU A 15 3.852 -6.865 -8.391 1.00 24.43 H new ATOM 0 HG3 GLU A 15 2.796 -5.467 -8.371 1.00 24.43 H new ATOM 223 N LYS A 16 7.414 -3.788 -7.807 1.00 51.01 N ATOM 224 CA LYS A 16 8.470 -2.786 -7.888 1.00 60.02 C ATOM 225 C LYS A 16 9.799 -3.427 -8.277 1.00 10.50 C ATOM 226 O LYS A 16 10.554 -2.874 -9.079 1.00 34.34 O ATOM 227 CB LYS A 16 8.615 -2.059 -6.550 1.00 31.04 C ATOM 228 CG LYS A 16 7.316 -1.462 -6.037 1.00 72.54 C ATOM 229 CD LYS A 16 6.686 -0.534 -7.062 1.00 55.12 C ATOM 230 CE LYS A 16 7.583 0.657 -7.361 1.00 24.52 C ATOM 231 NZ LYS A 16 8.172 0.578 -8.727 1.00 72.44 N ATOM 0 H LYS A 16 6.888 -3.776 -6.933 1.00 51.01 H new ATOM 0 HA LYS A 16 8.195 -2.065 -8.658 1.00 60.02 H new ATOM 0 HB2 LYS A 16 9.002 -2.757 -5.807 1.00 31.04 H new ATOM 0 HB3 LYS A 16 9.353 -1.264 -6.656 1.00 31.04 H new ATOM 0 HG2 LYS A 16 6.618 -2.263 -5.792 1.00 72.54 H new ATOM 0 HG3 LYS A 16 7.506 -0.912 -5.115 1.00 72.54 H new ATOM 0 HD2 LYS A 16 6.492 -1.085 -7.982 1.00 55.12 H new ATOM 0 HD3 LYS A 16 5.723 -0.182 -6.692 1.00 55.12 H new ATOM 0 HE2 LYS A 16 7.008 1.578 -7.266 1.00 24.52 H new ATOM 0 HE3 LYS A 16 8.383 0.704 -6.622 1.00 24.52 H new ATOM 0 HZ1 LYS A 16 8.470 1.527 -9.032 1.00 72.44 H new ATOM 0 HZ2 LYS A 16 8.996 -0.056 -8.714 1.00 72.44 H new ATOM 0 HZ3 LYS A 16 7.462 0.208 -9.391 1.00 72.44 H new ATOM 241 N LEU A 17 10.078 -4.593 -7.707 1.00 33.02 N ATOM 242 CA LEU A 17 11.316 -5.309 -7.995 1.00 63.14 C ATOM 243 C LEU A 17 11.028 -6.751 -8.403 1.00 1.41 C ATOM 244 O LEU A 17 11.882 -7.626 -8.270 1.00 11.23 O ATOM 245 CB LEU A 17 12.238 -5.287 -6.775 1.00 13.34 C ATOM 246 CG LEU A 17 11.837 -6.198 -5.615 1.00 14.34 C ATOM 247 CD1 LEU A 17 12.993 -6.360 -4.639 1.00 73.21 C ATOM 248 CD2 LEU A 17 10.610 -5.647 -4.903 1.00 34.44 C ATOM 0 H LEU A 17 9.464 -5.063 -7.042 1.00 33.02 H new ATOM 0 HA LEU A 17 11.812 -4.807 -8.826 1.00 63.14 H new ATOM 0 HB2 LEU A 17 13.242 -5.564 -7.098 1.00 13.34 H new ATOM 0 HB3 LEU A 17 12.293 -4.263 -6.405 1.00 13.34 H new ATOM 0 HG LEU A 17 11.588 -7.179 -6.019 1.00 14.34 H new ATOM 0 HD11 LEU A 17 12.689 -7.012 -3.820 1.00 73.21 H new ATOM 0 HD12 LEU A 17 13.846 -6.800 -5.155 1.00 73.21 H new ATOM 0 HD13 LEU A 17 13.273 -5.384 -4.242 1.00 73.21 H new ATOM 0 HD21 LEU A 17 10.339 -6.309 -4.080 1.00 34.44 H new ATOM 0 HD22 LEU A 17 10.831 -4.654 -4.512 1.00 34.44 H new ATOM 0 HD23 LEU A 17 9.779 -5.583 -5.606 1.00 34.44 H new ATOM 259 N ALA A 18 9.820 -6.989 -8.902 1.00 44.33 N ATOM 260 CA ALA A 18 9.421 -8.323 -9.334 1.00 2.41 C ATOM 261 C ALA A 18 9.584 -9.336 -8.206 1.00 75.12 C ATOM 262 O ALA A 18 10.553 -10.095 -8.175 1.00 71.33 O ATOM 263 CB ALA A 18 10.232 -8.749 -10.550 1.00 31.23 C ATOM 0 H ALA A 18 9.100 -6.275 -9.017 1.00 44.33 H new ATOM 0 HA ALA A 18 8.367 -8.289 -9.608 1.00 2.41 H new ATOM 0 HB1 ALA A 18 9.924 -9.747 -10.862 1.00 31.23 H new ATOM 0 HB2 ALA A 18 10.062 -8.046 -11.365 1.00 31.23 H new ATOM 0 HB3 ALA A 18 11.292 -8.760 -10.295 1.00 31.23 H new ATOM 269 N LEU A 19 8.630 -9.342 -7.282 1.00 20.53 N ATOM 270 CA LEU A 19 8.667 -10.262 -6.150 1.00 51.11 C ATOM 271 C LEU A 19 7.364 -11.047 -6.044 1.00 33.31 C ATOM 272 O LEU A 19 6.474 -10.909 -6.882 1.00 20.12 O ATOM 273 CB LEU A 19 8.921 -9.495 -4.851 1.00 24.53 C ATOM 274 CG LEU A 19 10.244 -9.792 -4.144 1.00 54.22 C ATOM 275 CD1 LEU A 19 11.412 -9.614 -5.100 1.00 4.53 C ATOM 276 CD2 LEU A 19 10.409 -8.897 -2.924 1.00 72.11 C ATOM 0 H LEU A 19 7.821 -8.720 -7.294 1.00 20.53 H new ATOM 0 HA LEU A 19 9.482 -10.967 -6.313 1.00 51.11 H new ATOM 0 HB2 LEU A 19 8.880 -8.428 -5.069 1.00 24.53 H new ATOM 0 HB3 LEU A 19 8.106 -9.711 -4.160 1.00 24.53 H new ATOM 0 HG LEU A 19 10.230 -10.829 -3.810 1.00 54.22 H new ATOM 0 HD11 LEU A 19 12.345 -9.830 -4.579 1.00 4.53 H new ATOM 0 HD12 LEU A 19 11.300 -10.297 -5.942 1.00 4.53 H new ATOM 0 HD13 LEU A 19 11.430 -8.587 -5.466 1.00 4.53 H new ATOM 0 HD21 LEU A 19 11.356 -9.122 -2.433 1.00 72.11 H new ATOM 0 HD22 LEU A 19 10.401 -7.852 -3.235 1.00 72.11 H new ATOM 0 HD23 LEU A 19 9.589 -9.075 -2.229 1.00 72.11 H new ATOM 287 N GLY A 20 7.258 -11.870 -5.004 1.00 60.45 N ATOM 288 CA GLY A 20 6.059 -12.664 -4.806 1.00 40.22 C ATOM 289 C GLY A 20 6.218 -14.089 -5.299 1.00 14.22 C ATOM 290 O GLY A 20 5.263 -14.864 -5.292 1.00 65.53 O ATOM 0 H GLY A 20 7.981 -12.001 -4.296 1.00 60.45 H new ATOM 0 HA2 GLY A 20 5.806 -12.676 -3.746 1.00 40.22 H new ATOM 0 HA3 GLY A 20 5.225 -12.194 -5.327 1.00 40.22 H new ATOM 294 N ALA A 21 7.428 -14.432 -5.728 1.00 21.51 N ATOM 295 CA ALA A 21 7.709 -15.773 -6.226 1.00 31.32 C ATOM 296 C ALA A 21 8.219 -16.678 -5.109 1.00 1.34 C ATOM 297 O ALA A 21 7.553 -17.638 -4.722 1.00 4.23 O ATOM 298 CB ALA A 21 8.719 -15.713 -7.362 1.00 72.32 C ATOM 0 H ALA A 21 8.229 -13.800 -5.741 1.00 21.51 H new ATOM 0 HA ALA A 21 6.778 -16.196 -6.604 1.00 31.32 H new ATOM 0 HB1 ALA A 21 8.920 -16.721 -7.724 1.00 72.32 H new ATOM 0 HB2 ALA A 21 8.317 -15.109 -8.175 1.00 72.32 H new ATOM 0 HB3 ALA A 21 9.646 -15.266 -7.002 1.00 72.32 H new ATOM 304 N ASP A 22 9.404 -16.365 -4.596 1.00 61.45 N ATOM 305 CA ASP A 22 10.004 -17.150 -3.523 1.00 64.20 C ATOM 306 C ASP A 22 10.147 -16.315 -2.255 1.00 23.55 C ATOM 307 O ASP A 22 10.967 -16.620 -1.388 1.00 0.34 O ATOM 308 CB ASP A 22 11.371 -17.683 -3.955 1.00 64.34 C ATOM 309 CG ASP A 22 11.399 -19.196 -4.052 1.00 52.53 C ATOM 310 OD1 ASP A 22 11.670 -19.851 -3.024 1.00 0.10 O ATOM 311 OD2 ASP A 22 11.149 -19.724 -5.155 1.00 30.01 O ATOM 0 H ASP A 22 9.968 -15.574 -4.906 1.00 61.45 H new ATOM 0 HA ASP A 22 9.346 -17.992 -3.310 1.00 64.20 H new ATOM 0 HB2 ASP A 22 11.635 -17.255 -4.922 1.00 64.34 H new ATOM 0 HB3 ASP A 22 12.128 -17.354 -3.243 1.00 64.34 H new ATOM 315 N VAL A 23 9.344 -15.261 -2.152 1.00 43.11 N ATOM 316 CA VAL A 23 9.381 -14.382 -0.989 1.00 22.24 C ATOM 317 C VAL A 23 8.061 -14.423 -0.228 1.00 24.44 C ATOM 318 O VAL A 23 7.000 -14.629 -0.815 1.00 74.11 O ATOM 319 CB VAL A 23 9.683 -12.927 -1.394 1.00 61.54 C ATOM 320 CG1 VAL A 23 9.899 -12.063 -0.161 1.00 73.25 C ATOM 321 CG2 VAL A 23 10.895 -12.871 -2.312 1.00 51.24 C ATOM 0 H VAL A 23 8.660 -14.995 -2.860 1.00 43.11 H new ATOM 0 HA VAL A 23 10.181 -14.744 -0.343 1.00 22.24 H new ATOM 0 HB VAL A 23 8.824 -12.534 -1.938 1.00 61.54 H new ATOM 0 HG11 VAL A 23 10.111 -11.039 -0.467 1.00 73.25 H new ATOM 0 HG12 VAL A 23 9.001 -12.079 0.456 1.00 73.25 H new ATOM 0 HG13 VAL A 23 10.740 -12.452 0.413 1.00 73.25 H new ATOM 0 HG21 VAL A 23 11.094 -11.836 -2.589 1.00 51.24 H new ATOM 0 HG22 VAL A 23 11.762 -13.282 -1.795 1.00 51.24 H new ATOM 0 HG23 VAL A 23 10.698 -13.455 -3.211 1.00 51.24 H new ATOM 331 N VAL A 24 8.135 -14.224 1.084 1.00 33.32 N ATOM 332 CA VAL A 24 6.945 -14.236 1.927 1.00 10.13 C ATOM 333 C VAL A 24 6.326 -12.847 2.023 1.00 10.41 C ATOM 334 O VAL A 24 7.033 -11.839 2.038 1.00 32.12 O ATOM 335 CB VAL A 24 7.268 -14.741 3.346 1.00 34.14 C ATOM 336 CG1 VAL A 24 6.004 -14.806 4.191 1.00 5.33 C ATOM 337 CG2 VAL A 24 7.950 -16.099 3.286 1.00 33.10 C ATOM 0 H VAL A 24 9.006 -14.053 1.586 1.00 33.32 H new ATOM 0 HA VAL A 24 6.233 -14.917 1.460 1.00 10.13 H new ATOM 0 HB VAL A 24 7.954 -14.036 3.816 1.00 34.14 H new ATOM 0 HG11 VAL A 24 6.252 -15.165 5.190 1.00 5.33 H new ATOM 0 HG12 VAL A 24 5.562 -13.812 4.262 1.00 5.33 H new ATOM 0 HG13 VAL A 24 5.291 -15.488 3.727 1.00 5.33 H new ATOM 0 HG21 VAL A 24 8.171 -16.440 4.297 1.00 33.10 H new ATOM 0 HG22 VAL A 24 7.291 -16.816 2.797 1.00 33.10 H new ATOM 0 HG23 VAL A 24 8.878 -16.015 2.721 1.00 33.10 H new ATOM 347 N VAL A 25 4.999 -12.799 2.087 1.00 31.44 N ATOM 348 CA VAL A 25 4.283 -11.533 2.183 1.00 31.11 C ATOM 349 C VAL A 25 3.687 -11.343 3.573 1.00 15.41 C ATOM 350 O VAL A 25 3.080 -12.257 4.132 1.00 73.23 O ATOM 351 CB VAL A 25 3.155 -11.445 1.137 1.00 24.34 C ATOM 352 CG1 VAL A 25 2.114 -12.526 1.381 1.00 3.14 C ATOM 353 CG2 VAL A 25 2.517 -10.064 1.157 1.00 3.14 C ATOM 0 H VAL A 25 4.398 -13.623 2.074 1.00 31.44 H new ATOM 0 HA VAL A 25 5.009 -10.743 1.991 1.00 31.11 H new ATOM 0 HB VAL A 25 3.586 -11.607 0.149 1.00 24.34 H new ATOM 0 HG11 VAL A 25 1.326 -12.448 0.632 1.00 3.14 H new ATOM 0 HG12 VAL A 25 2.585 -13.507 1.311 1.00 3.14 H new ATOM 0 HG13 VAL A 25 1.684 -12.400 2.375 1.00 3.14 H new ATOM 0 HG21 VAL A 25 1.722 -10.019 0.412 1.00 3.14 H new ATOM 0 HG22 VAL A 25 2.099 -9.870 2.145 1.00 3.14 H new ATOM 0 HG23 VAL A 25 3.271 -9.311 0.928 1.00 3.14 H new ATOM 363 N THR A 26 3.862 -10.147 4.129 1.00 54.44 N ATOM 364 CA THR A 26 3.342 -9.836 5.454 1.00 15.11 C ATOM 365 C THR A 26 2.766 -8.425 5.502 1.00 24.21 C ATOM 366 O THR A 26 3.256 -7.522 4.826 1.00 43.15 O ATOM 367 CB THR A 26 4.434 -9.969 6.531 1.00 33.24 C ATOM 368 OG1 THR A 26 5.652 -9.373 6.071 1.00 33.15 O ATOM 369 CG2 THR A 26 4.679 -11.431 6.877 1.00 53.03 C ATOM 0 H THR A 26 4.360 -9.378 3.681 1.00 54.44 H new ATOM 0 HA THR A 26 2.550 -10.556 5.659 1.00 15.11 H new ATOM 0 HB THR A 26 4.092 -9.452 7.428 1.00 33.24 H new ATOM 0 HG1 THR A 26 6.354 -9.503 6.743 1.00 33.15 H new ATOM 0 HG21 THR A 26 5.455 -11.499 7.640 1.00 53.03 H new ATOM 0 HG22 THR A 26 3.758 -11.875 7.255 1.00 53.03 H new ATOM 0 HG23 THR A 26 5.000 -11.967 5.984 1.00 53.03 H new ATOM 377 N ALA A 27 1.724 -8.243 6.305 1.00 33.22 N ATOM 378 CA ALA A 27 1.083 -6.942 6.443 1.00 2.45 C ATOM 379 C ALA A 27 1.914 -6.011 7.323 1.00 74.31 C ATOM 380 O ALA A 27 1.715 -4.796 7.318 1.00 24.44 O ATOM 381 CB ALA A 27 -0.318 -7.100 7.014 1.00 13.12 C ATOM 0 H ALA A 27 1.305 -8.981 6.871 1.00 33.22 H new ATOM 0 HA ALA A 27 1.010 -6.494 5.452 1.00 2.45 H new ATOM 0 HB1 ALA A 27 -0.784 -6.119 7.111 1.00 13.12 H new ATOM 0 HB2 ALA A 27 -0.915 -7.721 6.346 1.00 13.12 H new ATOM 0 HB3 ALA A 27 -0.260 -7.573 7.994 1.00 13.12 H new ATOM 387 N ASP A 28 2.842 -6.590 8.077 1.00 74.11 N ATOM 388 CA ASP A 28 3.701 -5.814 8.962 1.00 44.33 C ATOM 389 C ASP A 28 4.950 -5.338 8.225 1.00 31.44 C ATOM 390 O ASP A 28 5.654 -4.443 8.692 1.00 24.03 O ATOM 391 CB ASP A 28 4.099 -6.646 10.182 1.00 5.43 C ATOM 392 CG ASP A 28 4.425 -5.787 11.388 1.00 4.30 C ATOM 393 OD1 ASP A 28 3.994 -4.615 11.416 1.00 14.31 O ATOM 394 OD2 ASP A 28 5.113 -6.286 12.302 1.00 72.11 O ATOM 0 H ASP A 28 3.018 -7.595 8.093 1.00 74.11 H new ATOM 0 HA ASP A 28 3.142 -4.940 9.296 1.00 44.33 H new ATOM 0 HB2 ASP A 28 3.286 -7.327 10.434 1.00 5.43 H new ATOM 0 HB3 ASP A 28 4.964 -7.260 9.933 1.00 5.43 H new ATOM 398 N SER A 29 5.219 -5.945 7.074 1.00 30.15 N ATOM 399 CA SER A 29 6.386 -5.587 6.276 1.00 60.44 C ATOM 400 C SER A 29 6.264 -4.164 5.742 1.00 32.31 C ATOM 401 O SER A 29 5.675 -3.934 4.687 1.00 72.31 O ATOM 402 CB SER A 29 6.555 -6.567 5.113 1.00 21.50 C ATOM 403 OG SER A 29 7.695 -7.389 5.300 1.00 44.33 O ATOM 0 H SER A 29 4.645 -6.687 6.673 1.00 30.15 H new ATOM 0 HA SER A 29 7.265 -5.641 6.919 1.00 60.44 H new ATOM 0 HB2 SER A 29 5.664 -7.189 5.025 1.00 21.50 H new ATOM 0 HB3 SER A 29 6.651 -6.014 4.178 1.00 21.50 H new ATOM 0 HG SER A 29 7.413 -8.271 5.620 1.00 44.33 H new ATOM 408 N GLU A 30 6.824 -3.212 6.482 1.00 44.22 N ATOM 409 CA GLU A 30 6.778 -1.809 6.083 1.00 75.44 C ATOM 410 C GLU A 30 7.265 -1.635 4.648 1.00 1.20 C ATOM 411 O GLU A 30 8.063 -2.431 4.150 1.00 53.44 O ATOM 412 CB GLU A 30 7.627 -0.959 7.029 1.00 12.10 C ATOM 413 CG GLU A 30 7.226 -1.087 8.489 1.00 11.21 C ATOM 414 CD GLU A 30 8.298 -0.583 9.435 1.00 23.32 C ATOM 415 OE1 GLU A 30 9.486 -0.892 9.206 1.00 72.23 O ATOM 416 OE2 GLU A 30 7.949 0.122 10.406 1.00 64.43 O ATOM 0 H GLU A 30 7.314 -3.386 7.360 1.00 44.22 H new ATOM 0 HA GLU A 30 5.742 -1.476 6.139 1.00 75.44 H new ATOM 0 HB2 GLU A 30 8.673 -1.246 6.922 1.00 12.10 H new ATOM 0 HB3 GLU A 30 7.552 0.087 6.731 1.00 12.10 H new ATOM 0 HG2 GLU A 30 6.305 -0.529 8.659 1.00 11.21 H new ATOM 0 HG3 GLU A 30 7.012 -2.132 8.713 1.00 11.21 H new ATOM 421 N PHE A 31 6.780 -0.589 3.987 1.00 45.21 N ATOM 422 CA PHE A 31 7.165 -0.309 2.608 1.00 23.32 C ATOM 423 C PHE A 31 7.901 1.024 2.508 1.00 32.41 C ATOM 424 O PHE A 31 8.750 1.212 1.638 1.00 40.53 O ATOM 425 CB PHE A 31 5.931 -0.293 1.706 1.00 41.25 C ATOM 426 CG PHE A 31 5.123 0.968 1.819 1.00 53.54 C ATOM 427 CD1 PHE A 31 4.362 1.221 2.949 1.00 75.42 C ATOM 428 CD2 PHE A 31 5.123 1.902 0.796 1.00 44.04 C ATOM 429 CE1 PHE A 31 3.616 2.380 3.056 1.00 63.22 C ATOM 430 CE2 PHE A 31 4.380 3.063 0.896 1.00 2.55 C ATOM 431 CZ PHE A 31 3.626 3.303 2.029 1.00 65.21 C ATOM 0 H PHE A 31 6.119 0.079 4.384 1.00 45.21 H new ATOM 0 HA PHE A 31 7.838 -1.100 2.277 1.00 23.32 H new ATOM 0 HB2 PHE A 31 6.246 -0.422 0.670 1.00 41.25 H new ATOM 0 HB3 PHE A 31 5.298 -1.145 1.955 1.00 41.25 H new ATOM 0 HD1 PHE A 31 4.352 0.504 3.756 1.00 75.42 H new ATOM 0 HD2 PHE A 31 5.711 1.721 -0.091 1.00 44.04 H new ATOM 0 HE1 PHE A 31 3.026 2.563 3.942 1.00 63.22 H new ATOM 0 HE2 PHE A 31 4.389 3.782 0.090 1.00 2.55 H new ATOM 0 HZ PHE A 31 3.046 4.210 2.111 1.00 65.21 H new ATOM 440 N SER A 32 7.567 1.945 3.407 1.00 45.11 N ATOM 441 CA SER A 32 8.193 3.263 3.417 1.00 73.13 C ATOM 442 C SER A 32 9.606 3.189 3.988 1.00 14.31 C ATOM 443 O SER A 32 9.851 2.508 4.983 1.00 24.40 O ATOM 444 CB SER A 32 7.351 4.243 4.236 1.00 14.22 C ATOM 445 OG SER A 32 7.375 3.910 5.613 1.00 2.03 O ATOM 0 H SER A 32 6.868 1.804 4.136 1.00 45.11 H new ATOM 0 HA SER A 32 8.254 3.618 2.388 1.00 73.13 H new ATOM 0 HB2 SER A 32 7.729 5.256 4.097 1.00 14.22 H new ATOM 0 HB3 SER A 32 6.323 4.234 3.874 1.00 14.22 H new ATOM 0 HG SER A 32 6.831 4.552 6.114 1.00 2.03 H new ATOM 450 N LYS A 33 10.532 3.896 3.349 1.00 25.21 N ATOM 451 CA LYS A 33 11.922 3.913 3.792 1.00 51.13 C ATOM 452 C LYS A 33 12.517 5.312 3.662 1.00 73.05 C ATOM 453 O LYS A 33 12.715 5.813 2.554 1.00 23.01 O ATOM 454 CB LYS A 33 12.751 2.917 2.977 1.00 54.14 C ATOM 455 CG LYS A 33 12.358 1.468 3.207 1.00 11.32 C ATOM 456 CD LYS A 33 13.564 0.614 3.561 1.00 1.11 C ATOM 457 CE LYS A 33 13.195 -0.498 4.532 1.00 44.53 C ATOM 458 NZ LYS A 33 12.044 -1.303 4.040 1.00 55.21 N ATOM 0 H LYS A 33 10.346 4.465 2.523 1.00 25.21 H new ATOM 0 HA LYS A 33 11.946 3.623 4.842 1.00 51.13 H new ATOM 0 HB2 LYS A 33 12.645 3.150 1.917 1.00 54.14 H new ATOM 0 HB3 LYS A 33 13.804 3.043 3.227 1.00 54.14 H new ATOM 0 HG2 LYS A 33 11.623 1.412 4.010 1.00 11.32 H new ATOM 0 HG3 LYS A 33 11.881 1.072 2.310 1.00 11.32 H new ATOM 0 HD2 LYS A 33 13.984 0.181 2.653 1.00 1.11 H new ATOM 0 HD3 LYS A 33 14.338 1.241 4.002 1.00 1.11 H new ATOM 0 HE2 LYS A 33 14.056 -1.149 4.683 1.00 44.53 H new ATOM 0 HE3 LYS A 33 12.948 -0.066 5.502 1.00 44.53 H new ATOM 0 HZ1 LYS A 33 11.961 -2.172 4.605 1.00 55.21 H new ATOM 0 HZ2 LYS A 33 11.169 -0.748 4.128 1.00 55.21 H new ATOM 0 HZ3 LYS A 33 12.196 -1.552 3.042 1.00 55.21 H new ATOM 468 N LEU A 34 12.800 5.937 4.798 1.00 11.22 N ATOM 469 CA LEU A 34 13.374 7.278 4.812 1.00 12.40 C ATOM 470 C LEU A 34 14.894 7.219 4.923 1.00 71.21 C ATOM 471 O LEU A 34 15.436 6.751 5.923 1.00 35.13 O ATOM 472 CB LEU A 34 12.798 8.090 5.973 1.00 35.24 C ATOM 473 CG LEU A 34 11.999 9.336 5.591 1.00 53.45 C ATOM 474 CD1 LEU A 34 12.829 10.250 4.704 1.00 42.43 C ATOM 475 CD2 LEU A 34 10.703 8.946 4.894 1.00 25.21 C ATOM 0 H LEU A 34 12.641 5.537 5.723 1.00 11.22 H new ATOM 0 HA LEU A 34 13.115 7.766 3.872 1.00 12.40 H new ATOM 0 HB2 LEU A 34 12.154 7.437 6.562 1.00 35.24 H new ATOM 0 HB3 LEU A 34 13.621 8.395 6.620 1.00 35.24 H new ATOM 0 HG LEU A 34 11.749 9.878 6.503 1.00 53.45 H new ATOM 0 HD11 LEU A 34 12.244 11.132 4.442 1.00 42.43 H new ATOM 0 HD12 LEU A 34 13.728 10.557 5.238 1.00 42.43 H new ATOM 0 HD13 LEU A 34 13.110 9.718 3.795 1.00 42.43 H new ATOM 0 HD21 LEU A 34 10.147 9.846 4.629 1.00 25.21 H new ATOM 0 HD22 LEU A 34 10.932 8.382 3.990 1.00 25.21 H new ATOM 0 HD23 LEU A 34 10.101 8.331 5.563 1.00 25.21 H new ATOM 486 N GLY A 35 15.577 7.698 3.888 1.00 4.44 N ATOM 487 CA GLY A 35 17.028 7.692 3.890 1.00 3.14 C ATOM 488 C GLY A 35 17.608 7.076 2.632 1.00 41.32 C ATOM 489 O GLY A 35 18.700 7.443 2.200 1.00 1.10 O ATOM 0 H GLY A 35 15.151 8.090 3.048 1.00 4.44 H new ATOM 0 HA2 GLY A 35 17.392 8.714 3.991 1.00 3.14 H new ATOM 0 HA3 GLY A 35 17.385 7.139 4.759 1.00 3.14 H new ATOM 493 N ALA A 36 16.874 6.138 2.043 1.00 63.15 N ATOM 494 CA ALA A 36 17.322 5.470 0.826 1.00 13.33 C ATOM 495 C ALA A 36 16.662 6.077 -0.407 1.00 75.55 C ATOM 496 O ALA A 36 15.487 6.444 -0.377 1.00 12.31 O ATOM 497 CB ALA A 36 17.030 3.979 0.904 1.00 12.34 C ATOM 0 H ALA A 36 15.967 5.823 2.388 1.00 63.15 H new ATOM 0 HA ALA A 36 18.399 5.613 0.737 1.00 13.33 H new ATOM 0 HB1 ALA A 36 17.370 3.493 -0.011 1.00 12.34 H new ATOM 0 HB2 ALA A 36 17.553 3.550 1.758 1.00 12.34 H new ATOM 0 HB3 ALA A 36 15.957 3.824 1.020 1.00 12.34 H new ATOM 503 N ASP A 37 17.423 6.179 -1.490 1.00 42.05 N ATOM 504 CA ASP A 37 16.911 6.740 -2.735 1.00 43.12 C ATOM 505 C ASP A 37 16.728 5.652 -3.788 1.00 32.21 C ATOM 506 O ASP A 37 16.900 5.894 -4.982 1.00 44.22 O ATOM 507 CB ASP A 37 17.860 7.820 -3.260 1.00 72.24 C ATOM 508 CG ASP A 37 17.127 9.079 -3.680 1.00 50.55 C ATOM 509 OD1 ASP A 37 16.646 9.812 -2.790 1.00 63.01 O ATOM 510 OD2 ASP A 37 17.035 9.332 -4.899 1.00 14.40 O ATOM 0 H ASP A 37 18.397 5.880 -1.532 1.00 42.05 H new ATOM 0 HA ASP A 37 15.939 7.188 -2.530 1.00 43.12 H new ATOM 0 HB2 ASP A 37 18.588 8.067 -2.487 1.00 72.24 H new ATOM 0 HB3 ASP A 37 18.418 7.427 -4.110 1.00 72.24 H new ATOM 514 N SER A 38 16.379 4.452 -3.335 1.00 62.22 N ATOM 515 CA SER A 38 16.177 3.324 -4.238 1.00 21.43 C ATOM 516 C SER A 38 14.698 3.154 -4.572 1.00 22.20 C ATOM 517 O SER A 38 14.339 2.836 -5.707 1.00 73.44 O ATOM 518 CB SER A 38 16.721 2.039 -3.612 1.00 34.23 C ATOM 519 OG SER A 38 16.507 2.023 -2.210 1.00 50.35 O ATOM 0 H SER A 38 16.230 4.236 -2.349 1.00 62.22 H new ATOM 0 HA SER A 38 16.719 3.528 -5.161 1.00 21.43 H new ATOM 0 HB2 SER A 38 16.236 1.176 -4.067 1.00 34.23 H new ATOM 0 HB3 SER A 38 17.787 1.952 -3.821 1.00 34.23 H new ATOM 0 HG SER A 38 16.862 1.190 -1.834 1.00 50.35 H new ATOM 524 N LEU A 39 13.845 3.369 -3.578 1.00 30.01 N ATOM 525 CA LEU A 39 12.404 3.240 -3.764 1.00 55.01 C ATOM 526 C LEU A 39 11.725 4.605 -3.728 1.00 44.30 C ATOM 527 O LEU A 39 12.045 5.446 -2.886 1.00 44.33 O ATOM 528 CB LEU A 39 11.808 2.334 -2.685 1.00 63.44 C ATOM 529 CG LEU A 39 11.961 0.829 -2.914 1.00 34.03 C ATOM 530 CD1 LEU A 39 11.577 0.057 -1.660 1.00 50.44 C ATOM 531 CD2 LEU A 39 11.117 0.381 -4.097 1.00 22.01 C ATOM 0 H LEU A 39 14.126 3.634 -2.634 1.00 30.01 H new ATOM 0 HA LEU A 39 12.229 2.793 -4.743 1.00 55.01 H new ATOM 0 HB2 LEU A 39 12.271 2.585 -1.731 1.00 63.44 H new ATOM 0 HB3 LEU A 39 10.746 2.561 -2.593 1.00 63.44 H new ATOM 0 HG LEU A 39 13.007 0.620 -3.140 1.00 34.03 H new ATOM 0 HD11 LEU A 39 11.692 -1.012 -1.841 1.00 50.44 H new ATOM 0 HD12 LEU A 39 12.224 0.357 -0.836 1.00 50.44 H new ATOM 0 HD13 LEU A 39 10.540 0.272 -1.404 1.00 50.44 H new ATOM 0 HD21 LEU A 39 11.238 -0.692 -4.245 1.00 22.01 H new ATOM 0 HD22 LEU A 39 10.068 0.604 -3.901 1.00 22.01 H new ATOM 0 HD23 LEU A 39 11.439 0.910 -4.994 1.00 22.01 H new ATOM 542 N ASP A 40 10.788 4.819 -4.645 1.00 35.13 N ATOM 543 CA ASP A 40 10.061 6.082 -4.715 1.00 40.13 C ATOM 544 C ASP A 40 8.600 5.891 -4.319 1.00 3.21 C ATOM 545 O ASP A 40 7.903 5.036 -4.867 1.00 41.52 O ATOM 546 CB ASP A 40 10.149 6.667 -6.126 1.00 74.44 C ATOM 547 CG ASP A 40 11.152 7.799 -6.221 1.00 40.15 C ATOM 548 OD1 ASP A 40 11.194 8.633 -5.294 1.00 43.33 O ATOM 549 OD2 ASP A 40 11.894 7.851 -7.225 1.00 24.23 O ATOM 0 H ASP A 40 10.514 4.135 -5.350 1.00 35.13 H new ATOM 0 HA ASP A 40 10.520 6.777 -4.012 1.00 40.13 H new ATOM 0 HB2 ASP A 40 10.427 5.879 -6.826 1.00 74.44 H new ATOM 0 HB3 ASP A 40 9.166 7.030 -6.428 1.00 74.44 H new ATOM 553 N THR A 41 8.142 6.693 -3.364 1.00 32.11 N ATOM 554 CA THR A 41 6.765 6.612 -2.892 1.00 4.21 C ATOM 555 C THR A 41 5.783 6.969 -4.002 1.00 73.01 C ATOM 556 O THR A 41 4.730 6.343 -4.138 1.00 4.40 O ATOM 557 CB THR A 41 6.526 7.546 -1.691 1.00 63.43 C ATOM 558 OG1 THR A 41 7.369 7.163 -0.599 1.00 35.33 O ATOM 559 CG2 THR A 41 5.070 7.503 -1.254 1.00 73.14 C ATOM 0 H THR A 41 8.705 7.407 -2.901 1.00 32.11 H new ATOM 0 HA THR A 41 6.598 5.581 -2.579 1.00 4.21 H new ATOM 0 HB THR A 41 6.767 8.564 -1.996 1.00 63.43 H new ATOM 0 HG1 THR A 41 7.213 7.762 0.161 1.00 35.33 H new ATOM 0 HG21 THR A 41 4.925 8.170 -0.404 1.00 73.14 H new ATOM 0 HG22 THR A 41 4.433 7.822 -2.079 1.00 73.14 H new ATOM 0 HG23 THR A 41 4.807 6.486 -0.965 1.00 73.14 H new ATOM 567 N VAL A 42 6.132 7.978 -4.794 1.00 24.21 N ATOM 568 CA VAL A 42 5.281 8.416 -5.894 1.00 63.01 C ATOM 569 C VAL A 42 4.910 7.249 -6.801 1.00 23.42 C ATOM 570 O VAL A 42 3.790 7.173 -7.303 1.00 53.04 O ATOM 571 CB VAL A 42 5.970 9.507 -6.735 1.00 14.21 C ATOM 572 CG1 VAL A 42 5.065 9.956 -7.872 1.00 51.11 C ATOM 573 CG2 VAL A 42 6.363 10.686 -5.858 1.00 5.53 C ATOM 0 H VAL A 42 6.998 8.507 -4.694 1.00 24.21 H new ATOM 0 HA VAL A 42 4.375 8.828 -5.449 1.00 63.01 H new ATOM 0 HB VAL A 42 6.878 9.088 -7.169 1.00 14.21 H new ATOM 0 HG11 VAL A 42 5.569 10.727 -8.455 1.00 51.11 H new ATOM 0 HG12 VAL A 42 4.838 9.105 -8.514 1.00 51.11 H new ATOM 0 HG13 VAL A 42 4.138 10.358 -7.462 1.00 51.11 H new ATOM 0 HG21 VAL A 42 6.849 11.448 -6.468 1.00 5.53 H new ATOM 0 HG22 VAL A 42 5.471 11.107 -5.394 1.00 5.53 H new ATOM 0 HG23 VAL A 42 7.051 10.349 -5.083 1.00 5.53 H new ATOM 583 N GLU A 43 5.860 6.342 -7.007 1.00 70.42 N ATOM 584 CA GLU A 43 5.631 5.178 -7.855 1.00 22.53 C ATOM 585 C GLU A 43 4.681 4.191 -7.182 1.00 32.13 C ATOM 586 O GLU A 43 3.946 3.465 -7.851 1.00 0.13 O ATOM 587 CB GLU A 43 6.958 4.486 -8.177 1.00 70.25 C ATOM 588 CG GLU A 43 7.191 4.279 -9.664 1.00 65.24 C ATOM 589 CD GLU A 43 8.635 4.508 -10.066 1.00 14.55 C ATOM 590 OE1 GLU A 43 9.057 5.683 -10.116 1.00 64.22 O ATOM 591 OE2 GLU A 43 9.342 3.514 -10.330 1.00 22.53 O ATOM 0 H GLU A 43 6.794 6.391 -6.599 1.00 70.42 H new ATOM 0 HA GLU A 43 5.173 5.521 -8.782 1.00 22.53 H new ATOM 0 HB2 GLU A 43 7.776 5.079 -7.769 1.00 70.25 H new ATOM 0 HB3 GLU A 43 6.985 3.519 -7.675 1.00 70.25 H new ATOM 0 HG2 GLU A 43 6.899 3.265 -9.936 1.00 65.24 H new ATOM 0 HG3 GLU A 43 6.549 4.957 -10.226 1.00 65.24 H new ATOM 596 N ILE A 44 4.703 4.171 -5.853 1.00 32.44 N ATOM 597 CA ILE A 44 3.844 3.276 -5.089 1.00 23.42 C ATOM 598 C ILE A 44 2.425 3.825 -4.991 1.00 61.21 C ATOM 599 O ILE A 44 1.458 3.137 -5.317 1.00 61.14 O ATOM 600 CB ILE A 44 4.393 3.045 -3.668 1.00 3.21 C ATOM 601 CG1 ILE A 44 5.858 2.610 -3.728 1.00 21.33 C ATOM 602 CG2 ILE A 44 3.555 2.006 -2.938 1.00 63.04 C ATOM 603 CD1 ILE A 44 6.073 1.313 -4.475 1.00 23.44 C ATOM 0 H ILE A 44 5.306 4.765 -5.284 1.00 32.44 H new ATOM 0 HA ILE A 44 3.826 2.325 -5.622 1.00 23.42 H new ATOM 0 HB ILE A 44 4.335 3.983 -3.115 1.00 3.21 H new ATOM 0 HG12 ILE A 44 6.443 3.396 -4.206 1.00 21.33 H new ATOM 0 HG13 ILE A 44 6.238 2.502 -2.712 1.00 21.33 H new ATOM 0 HG21 ILE A 44 3.956 1.854 -1.936 1.00 63.04 H new ATOM 0 HG22 ILE A 44 2.524 2.354 -2.868 1.00 63.04 H new ATOM 0 HG23 ILE A 44 3.584 1.065 -3.487 1.00 63.04 H new ATOM 0 HD11 ILE A 44 7.135 1.066 -4.478 1.00 23.44 H new ATOM 0 HD12 ILE A 44 5.516 0.514 -3.985 1.00 23.44 H new ATOM 0 HD13 ILE A 44 5.723 1.422 -5.502 1.00 23.44 H new ATOM 614 N VAL A 45 2.308 5.070 -4.541 1.00 71.30 N ATOM 615 CA VAL A 45 1.008 5.714 -4.404 1.00 14.44 C ATOM 616 C VAL A 45 0.230 5.667 -5.714 1.00 35.12 C ATOM 617 O VAL A 45 -0.993 5.525 -5.716 1.00 30.20 O ATOM 618 CB VAL A 45 1.152 7.181 -3.958 1.00 1.41 C ATOM 619 CG1 VAL A 45 1.982 7.966 -4.964 1.00 34.41 C ATOM 620 CG2 VAL A 45 -0.216 7.818 -3.771 1.00 12.31 C ATOM 0 H VAL A 45 3.098 5.653 -4.265 1.00 71.30 H new ATOM 0 HA VAL A 45 0.461 5.162 -3.640 1.00 14.44 H new ATOM 0 HB VAL A 45 1.671 7.202 -3.000 1.00 1.41 H new ATOM 0 HG11 VAL A 45 2.073 9.000 -4.632 1.00 34.41 H new ATOM 0 HG12 VAL A 45 2.974 7.522 -5.043 1.00 34.41 H new ATOM 0 HG13 VAL A 45 1.494 7.939 -5.938 1.00 34.41 H new ATOM 0 HG21 VAL A 45 -0.095 8.854 -3.456 1.00 12.31 H new ATOM 0 HG22 VAL A 45 -0.764 7.787 -4.713 1.00 12.31 H new ATOM 0 HG23 VAL A 45 -0.772 7.270 -3.010 1.00 12.31 H new ATOM 630 N MET A 46 0.947 5.786 -6.827 1.00 34.32 N ATOM 631 CA MET A 46 0.323 5.754 -8.144 1.00 51.31 C ATOM 632 C MET A 46 -0.212 4.361 -8.460 1.00 25.22 C ATOM 633 O MET A 46 -1.325 4.213 -8.962 1.00 33.21 O ATOM 634 CB MET A 46 1.326 6.183 -9.216 1.00 42.32 C ATOM 635 CG MET A 46 1.024 7.545 -9.821 1.00 61.01 C ATOM 636 SD MET A 46 -0.021 7.438 -11.286 1.00 52.44 S ATOM 637 CE MET A 46 -1.637 7.253 -10.537 1.00 35.32 C ATOM 0 H MET A 46 1.960 5.905 -6.843 1.00 34.32 H new ATOM 0 HA MET A 46 -0.514 6.452 -8.139 1.00 51.31 H new ATOM 0 HB2 MET A 46 2.325 6.201 -8.781 1.00 42.32 H new ATOM 0 HB3 MET A 46 1.338 5.436 -10.010 1.00 42.32 H new ATOM 0 HG2 MET A 46 0.533 8.169 -9.074 1.00 61.01 H new ATOM 0 HG3 MET A 46 1.960 8.038 -10.083 1.00 61.01 H new ATOM 0 HE1 MET A 46 -2.397 7.658 -11.206 1.00 35.32 H new ATOM 0 HE2 MET A 46 -1.837 6.196 -10.359 1.00 35.32 H new ATOM 0 HE3 MET A 46 -1.663 7.792 -9.590 1.00 35.32 H new ATOM 645 N ASN A 47 0.589 3.343 -8.162 1.00 32.15 N ATOM 646 CA ASN A 47 0.197 1.962 -8.415 1.00 73.04 C ATOM 647 C ASN A 47 -1.113 1.630 -7.706 1.00 34.11 C ATOM 648 O ASN A 47 -2.076 1.184 -8.331 1.00 44.15 O ATOM 649 CB ASN A 47 1.296 1.004 -7.953 1.00 31.10 C ATOM 650 CG ASN A 47 2.098 0.443 -9.112 1.00 2.13 C ATOM 651 OD1 ASN A 47 3.273 0.768 -9.282 1.00 25.24 O ATOM 652 ND2 ASN A 47 1.465 -0.403 -9.914 1.00 70.44 N ATOM 0 H ASN A 47 1.514 3.449 -7.745 1.00 32.15 H new ATOM 0 HA ASN A 47 0.050 1.844 -9.489 1.00 73.04 H new ATOM 0 HB2 ASN A 47 1.966 1.526 -7.270 1.00 31.10 H new ATOM 0 HB3 ASN A 47 0.847 0.183 -7.394 1.00 31.10 H new ATOM 0 HD21 ASN A 47 1.953 -0.813 -10.710 1.00 70.44 H new ATOM 0 HD22 ASN A 47 0.490 -0.644 -9.734 1.00 70.44 H new ATOM 658 N LEU A 48 -1.142 1.851 -6.396 1.00 51.22 N ATOM 659 CA LEU A 48 -2.334 1.577 -5.600 1.00 72.44 C ATOM 660 C LEU A 48 -3.523 2.391 -6.100 1.00 65.41 C ATOM 661 O LEU A 48 -4.587 1.843 -6.384 1.00 43.05 O ATOM 662 CB LEU A 48 -2.071 1.890 -4.126 1.00 24.20 C ATOM 663 CG LEU A 48 -0.836 1.231 -3.510 1.00 74.51 C ATOM 664 CD1 LEU A 48 -0.598 1.755 -2.103 1.00 24.23 C ATOM 665 CD2 LEU A 48 -0.991 -0.284 -3.498 1.00 62.11 C ATOM 0 H LEU A 48 -0.354 2.219 -5.863 1.00 51.22 H new ATOM 0 HA LEU A 48 -2.573 0.519 -5.703 1.00 72.44 H new ATOM 0 HB2 LEU A 48 -1.975 2.970 -4.016 1.00 24.20 H new ATOM 0 HB3 LEU A 48 -2.945 1.588 -3.549 1.00 24.20 H new ATOM 0 HG LEU A 48 0.031 1.483 -4.121 1.00 74.51 H new ATOM 0 HD11 LEU A 48 0.285 1.275 -1.680 1.00 24.23 H new ATOM 0 HD12 LEU A 48 -0.443 2.833 -2.138 1.00 24.23 H new ATOM 0 HD13 LEU A 48 -1.465 1.533 -1.481 1.00 24.23 H new ATOM 0 HD21 LEU A 48 -0.103 -0.737 -3.056 1.00 62.11 H new ATOM 0 HD22 LEU A 48 -1.868 -0.555 -2.910 1.00 62.11 H new ATOM 0 HD23 LEU A 48 -1.113 -0.645 -4.519 1.00 62.11 H new ATOM 676 N GLU A 49 -3.332 3.702 -6.208 1.00 3.41 N ATOM 677 CA GLU A 49 -4.388 4.592 -6.676 1.00 70.41 C ATOM 678 C GLU A 49 -4.883 4.170 -8.056 1.00 65.32 C ATOM 679 O GLU A 49 -6.044 4.382 -8.402 1.00 42.31 O ATOM 680 CB GLU A 49 -3.886 6.036 -6.721 1.00 40.12 C ATOM 681 CG GLU A 49 -5.000 7.069 -6.677 1.00 73.12 C ATOM 682 CD GLU A 49 -4.476 8.491 -6.654 1.00 12.51 C ATOM 683 OE1 GLU A 49 -3.241 8.671 -6.703 1.00 62.23 O ATOM 684 OE2 GLU A 49 -5.302 9.426 -6.587 1.00 2.32 O ATOM 0 H GLU A 49 -2.456 4.171 -5.978 1.00 3.41 H new ATOM 0 HA GLU A 49 -5.220 4.527 -5.975 1.00 70.41 H new ATOM 0 HB2 GLU A 49 -3.213 6.204 -5.881 1.00 40.12 H new ATOM 0 HB3 GLU A 49 -3.303 6.181 -7.631 1.00 40.12 H new ATOM 0 HG2 GLU A 49 -5.646 6.938 -7.545 1.00 73.12 H new ATOM 0 HG3 GLU A 49 -5.614 6.898 -5.793 1.00 73.12 H new ATOM 689 N GLU A 50 -3.991 3.573 -8.841 1.00 33.54 N ATOM 690 CA GLU A 50 -4.336 3.123 -10.184 1.00 62.21 C ATOM 691 C GLU A 50 -5.128 1.819 -10.135 1.00 51.20 C ATOM 692 O GLU A 50 -6.276 1.762 -10.577 1.00 64.50 O ATOM 693 CB GLU A 50 -3.071 2.932 -11.023 1.00 25.51 C ATOM 694 CG GLU A 50 -3.341 2.394 -12.418 1.00 63.43 C ATOM 695 CD GLU A 50 -2.137 2.514 -13.333 1.00 73.45 C ATOM 696 OE1 GLU A 50 -1.005 2.303 -12.852 1.00 64.54 O ATOM 697 OE2 GLU A 50 -2.329 2.819 -14.528 1.00 45.12 O ATOM 0 H GLU A 50 -3.025 3.390 -8.570 1.00 33.54 H new ATOM 0 HA GLU A 50 -4.958 3.889 -10.647 1.00 62.21 H new ATOM 0 HB2 GLU A 50 -2.552 3.887 -11.105 1.00 25.51 H new ATOM 0 HB3 GLU A 50 -2.400 2.249 -10.503 1.00 25.51 H new ATOM 0 HG2 GLU A 50 -3.637 1.347 -12.349 1.00 63.43 H new ATOM 0 HG3 GLU A 50 -4.180 2.934 -12.856 1.00 63.43 H new ATOM 702 N GLU A 51 -4.506 0.776 -9.594 1.00 41.50 N ATOM 703 CA GLU A 51 -5.153 -0.527 -9.488 1.00 4.43 C ATOM 704 C GLU A 51 -6.496 -0.412 -8.774 1.00 14.32 C ATOM 705 O GLU A 51 -7.527 -0.837 -9.295 1.00 54.40 O ATOM 706 CB GLU A 51 -4.249 -1.510 -8.742 1.00 63.34 C ATOM 707 CG GLU A 51 -4.525 -2.966 -9.079 1.00 35.51 C ATOM 708 CD GLU A 51 -4.134 -3.322 -10.499 1.00 1.40 C ATOM 709 OE1 GLU A 51 -3.399 -2.531 -11.128 1.00 35.22 O ATOM 710 OE2 GLU A 51 -4.562 -4.391 -10.982 1.00 2.31 O ATOM 0 H GLU A 51 -3.556 0.808 -9.223 1.00 41.50 H new ATOM 0 HA GLU A 51 -5.329 -0.900 -10.497 1.00 4.43 H new ATOM 0 HB2 GLU A 51 -3.209 -1.283 -8.975 1.00 63.34 H new ATOM 0 HB3 GLU A 51 -4.375 -1.364 -7.669 1.00 63.34 H new ATOM 0 HG2 GLU A 51 -3.979 -3.605 -8.385 1.00 35.51 H new ATOM 0 HG3 GLU A 51 -5.586 -3.173 -8.936 1.00 35.51 H new ATOM 715 N PHE A 52 -6.476 0.167 -7.578 1.00 23.52 N ATOM 716 CA PHE A 52 -7.691 0.337 -6.790 1.00 53.21 C ATOM 717 C PHE A 52 -8.622 1.356 -7.441 1.00 32.44 C ATOM 718 O PHE A 52 -9.834 1.330 -7.227 1.00 43.42 O ATOM 719 CB PHE A 52 -7.344 0.782 -5.368 1.00 73.35 C ATOM 720 CG PHE A 52 -6.706 -0.297 -4.541 1.00 5.12 C ATOM 721 CD1 PHE A 52 -7.425 -1.423 -4.172 1.00 4.52 C ATOM 722 CD2 PHE A 52 -5.386 -0.186 -4.133 1.00 73.11 C ATOM 723 CE1 PHE A 52 -6.839 -2.417 -3.411 1.00 0.02 C ATOM 724 CE2 PHE A 52 -4.795 -1.178 -3.372 1.00 4.10 C ATOM 725 CZ PHE A 52 -5.523 -2.295 -3.011 1.00 44.51 C ATOM 0 H PHE A 52 -5.631 0.526 -7.133 1.00 23.52 H new ATOM 0 HA PHE A 52 -8.204 -0.624 -6.747 1.00 53.21 H new ATOM 0 HB2 PHE A 52 -6.670 1.637 -5.418 1.00 73.35 H new ATOM 0 HB3 PHE A 52 -8.252 1.121 -4.870 1.00 73.35 H new ATOM 0 HD1 PHE A 52 -8.454 -1.525 -4.482 1.00 4.52 H new ATOM 0 HD2 PHE A 52 -4.812 0.685 -4.413 1.00 73.11 H new ATOM 0 HE1 PHE A 52 -7.410 -3.289 -3.129 1.00 0.02 H new ATOM 0 HE2 PHE A 52 -3.766 -1.079 -3.060 1.00 4.10 H new ATOM 0 HZ PHE A 52 -5.064 -3.071 -2.417 1.00 44.51 H new ATOM 734 N GLY A 53 -8.046 2.252 -8.235 1.00 44.50 N ATOM 735 CA GLY A 53 -8.838 3.269 -8.905 1.00 74.43 C ATOM 736 C GLY A 53 -9.454 4.256 -7.934 1.00 75.32 C ATOM 737 O GLY A 53 -10.603 4.665 -8.102 1.00 13.44 O ATOM 0 H GLY A 53 -7.045 2.293 -8.427 1.00 44.50 H new ATOM 0 HA2 GLY A 53 -8.209 3.806 -9.614 1.00 74.43 H new ATOM 0 HA3 GLY A 53 -9.629 2.788 -9.481 1.00 74.43 H new ATOM 741 N ILE A 54 -8.690 4.638 -6.916 1.00 73.22 N ATOM 742 CA ILE A 54 -9.170 5.583 -5.915 1.00 21.40 C ATOM 743 C ILE A 54 -8.583 6.972 -6.145 1.00 73.25 C ATOM 744 O ILE A 54 -7.859 7.198 -7.114 1.00 74.22 O ATOM 745 CB ILE A 54 -8.817 5.119 -4.489 1.00 43.33 C ATOM 746 CG1 ILE A 54 -7.307 4.907 -4.357 1.00 51.33 C ATOM 747 CG2 ILE A 54 -9.569 3.842 -4.146 1.00 64.03 C ATOM 748 CD1 ILE A 54 -6.880 4.445 -2.982 1.00 5.32 C ATOM 0 H ILE A 54 -7.737 4.308 -6.763 1.00 73.22 H new ATOM 0 HA ILE A 54 -10.254 5.628 -6.016 1.00 21.40 H new ATOM 0 HB ILE A 54 -9.119 5.895 -3.785 1.00 43.33 H new ATOM 0 HG12 ILE A 54 -6.986 4.172 -5.095 1.00 51.33 H new ATOM 0 HG13 ILE A 54 -6.795 5.840 -4.593 1.00 51.33 H new ATOM 0 HG21 ILE A 54 -9.309 3.527 -3.135 1.00 64.03 H new ATOM 0 HG22 ILE A 54 -10.642 4.025 -4.204 1.00 64.03 H new ATOM 0 HG23 ILE A 54 -9.296 3.058 -4.852 1.00 64.03 H new ATOM 0 HD11 ILE A 54 -5.798 4.315 -2.961 1.00 5.32 H new ATOM 0 HD12 ILE A 54 -7.170 5.190 -2.241 1.00 5.32 H new ATOM 0 HD13 ILE A 54 -7.364 3.496 -2.751 1.00 5.32 H new ATOM 759 N ASN A 55 -8.901 7.898 -5.248 1.00 30.13 N ATOM 760 CA ASN A 55 -8.406 9.265 -5.352 1.00 4.42 C ATOM 761 C ASN A 55 -7.658 9.672 -4.085 1.00 73.20 C ATOM 762 O ASN A 55 -8.226 10.300 -3.191 1.00 53.55 O ATOM 763 CB ASN A 55 -9.564 10.233 -5.607 1.00 30.32 C ATOM 764 CG ASN A 55 -10.856 9.768 -4.965 1.00 34.11 C ATOM 765 OD1 ASN A 55 -11.893 9.680 -5.624 1.00 21.33 O ATOM 766 ND2 ASN A 55 -10.800 9.468 -3.673 1.00 32.22 N ATOM 0 H ASN A 55 -9.500 7.727 -4.440 1.00 30.13 H new ATOM 0 HA ASN A 55 -7.713 9.309 -6.192 1.00 4.42 H new ATOM 0 HB2 ASN A 55 -9.303 11.218 -5.220 1.00 30.32 H new ATOM 0 HB3 ASN A 55 -9.714 10.342 -6.681 1.00 30.32 H new ATOM 0 HD21 ASN A 55 -11.638 9.150 -3.187 1.00 32.22 H new ATOM 0 HD22 ASN A 55 -9.919 9.556 -3.167 1.00 32.22 H new ATOM 772 N VAL A 56 -6.381 9.309 -4.015 1.00 74.15 N ATOM 773 CA VAL A 56 -5.557 9.637 -2.858 1.00 64.34 C ATOM 774 C VAL A 56 -4.544 10.726 -3.197 1.00 14.13 C ATOM 775 O VAL A 56 -4.102 10.844 -4.340 1.00 53.44 O ATOM 776 CB VAL A 56 -4.805 8.398 -2.336 1.00 13.45 C ATOM 777 CG1 VAL A 56 -3.770 7.935 -3.349 1.00 62.51 C ATOM 778 CG2 VAL A 56 -4.153 8.698 -0.995 1.00 34.21 C ATOM 0 H VAL A 56 -5.895 8.788 -4.745 1.00 74.15 H new ATOM 0 HA VAL A 56 -6.231 9.999 -2.081 1.00 64.34 H new ATOM 0 HB VAL A 56 -5.524 7.591 -2.193 1.00 13.45 H new ATOM 0 HG11 VAL A 56 -3.249 7.059 -2.963 1.00 62.51 H new ATOM 0 HG12 VAL A 56 -4.266 7.679 -4.285 1.00 62.51 H new ATOM 0 HG13 VAL A 56 -3.052 8.735 -3.527 1.00 62.51 H new ATOM 0 HG21 VAL A 56 -3.626 7.812 -0.640 1.00 34.21 H new ATOM 0 HG22 VAL A 56 -3.446 9.519 -1.110 1.00 34.21 H new ATOM 0 HG23 VAL A 56 -4.919 8.978 -0.272 1.00 34.21 H new ATOM 788 N ASP A 57 -4.181 11.520 -2.195 1.00 70.33 N ATOM 789 CA ASP A 57 -3.219 12.599 -2.386 1.00 15.43 C ATOM 790 C ASP A 57 -1.859 12.223 -1.808 1.00 21.13 C ATOM 791 O ASP A 57 -1.752 11.308 -0.991 1.00 1.30 O ATOM 792 CB ASP A 57 -3.727 13.885 -1.732 1.00 12.11 C ATOM 793 CG ASP A 57 -3.542 15.099 -2.621 1.00 12.02 C ATOM 794 OD1 ASP A 57 -2.661 15.058 -3.504 1.00 43.11 O ATOM 795 OD2 ASP A 57 -4.278 16.090 -2.433 1.00 40.32 O ATOM 0 H ASP A 57 -4.538 11.437 -1.243 1.00 70.33 H new ATOM 0 HA ASP A 57 -3.105 12.766 -3.457 1.00 15.43 H new ATOM 0 HB2 ASP A 57 -4.784 13.773 -1.490 1.00 12.11 H new ATOM 0 HB3 ASP A 57 -3.200 14.043 -0.791 1.00 12.11 H new ATOM 799 N GLU A 58 -0.820 12.933 -2.239 1.00 52.12 N ATOM 800 CA GLU A 58 0.533 12.672 -1.764 1.00 43.41 C ATOM 801 C GLU A 58 0.618 12.827 -0.249 1.00 1.03 C ATOM 802 O GLU A 58 1.315 12.069 0.426 1.00 71.20 O ATOM 803 CB GLU A 58 1.526 13.618 -2.442 1.00 33.12 C ATOM 804 CG GLU A 58 1.271 15.085 -2.141 1.00 2.13 C ATOM 805 CD GLU A 58 1.682 15.996 -3.282 1.00 62.44 C ATOM 806 OE1 GLU A 58 2.327 15.503 -4.232 1.00 24.54 O ATOM 807 OE2 GLU A 58 1.358 17.200 -3.226 1.00 2.43 O ATOM 0 H GLU A 58 -0.890 13.693 -2.916 1.00 52.12 H new ATOM 0 HA GLU A 58 0.789 11.644 -2.020 1.00 43.41 H new ATOM 0 HB2 GLU A 58 2.536 13.361 -2.123 1.00 33.12 H new ATOM 0 HB3 GLU A 58 1.483 13.464 -3.520 1.00 33.12 H new ATOM 0 HG2 GLU A 58 0.212 15.230 -1.929 1.00 2.13 H new ATOM 0 HG3 GLU A 58 1.817 15.367 -1.241 1.00 2.13 H new ATOM 812 N ASP A 59 -0.094 13.817 0.279 1.00 74.44 N ATOM 813 CA ASP A 59 -0.100 14.073 1.715 1.00 54.24 C ATOM 814 C ASP A 59 -0.656 12.874 2.478 1.00 13.35 C ATOM 815 O ASP A 59 -0.327 12.661 3.645 1.00 1.01 O ATOM 816 CB ASP A 59 -0.926 15.321 2.029 1.00 50.43 C ATOM 817 CG ASP A 59 -0.170 16.316 2.887 1.00 42.12 C ATOM 818 OD1 ASP A 59 0.726 17.002 2.350 1.00 11.43 O ATOM 819 OD2 ASP A 59 -0.473 16.408 4.095 1.00 43.35 O ATOM 0 H ASP A 59 -0.674 14.455 -0.266 1.00 74.44 H new ATOM 0 HA ASP A 59 0.929 14.239 2.034 1.00 54.24 H new ATOM 0 HB2 ASP A 59 -1.222 15.801 1.096 1.00 50.43 H new ATOM 0 HB3 ASP A 59 -1.842 15.027 2.541 1.00 50.43 H new ATOM 823 N LYS A 60 -1.501 12.096 1.812 1.00 55.12 N ATOM 824 CA LYS A 60 -2.104 10.920 2.426 1.00 74.54 C ATOM 825 C LYS A 60 -1.293 9.666 2.114 1.00 22.22 C ATOM 826 O LYS A 60 -1.523 8.605 2.693 1.00 3.52 O ATOM 827 CB LYS A 60 -3.544 10.743 1.936 1.00 23.01 C ATOM 828 CG LYS A 60 -4.368 9.799 2.794 1.00 4.13 C ATOM 829 CD LYS A 60 -4.744 10.438 4.121 1.00 74.24 C ATOM 830 CE LYS A 60 -4.824 9.404 5.234 1.00 3.00 C ATOM 831 NZ LYS A 60 -3.789 9.634 6.279 1.00 0.35 N ATOM 0 H LYS A 60 -1.784 12.259 0.846 1.00 55.12 H new ATOM 0 HA LYS A 60 -2.110 11.069 3.506 1.00 74.54 H new ATOM 0 HB2 LYS A 60 -4.032 11.717 1.911 1.00 23.01 H new ATOM 0 HB3 LYS A 60 -3.527 10.369 0.912 1.00 23.01 H new ATOM 0 HG2 LYS A 60 -5.273 9.513 2.257 1.00 4.13 H new ATOM 0 HG3 LYS A 60 -3.803 8.885 2.976 1.00 4.13 H new ATOM 0 HD2 LYS A 60 -4.008 11.198 4.382 1.00 74.24 H new ATOM 0 HD3 LYS A 60 -5.704 10.944 4.023 1.00 74.24 H new ATOM 0 HE2 LYS A 60 -5.814 9.436 5.690 1.00 3.00 H new ATOM 0 HE3 LYS A 60 -4.700 8.406 4.813 1.00 3.00 H new ATOM 0 HZ1 LYS A 60 -3.876 8.909 7.020 1.00 0.35 H new ATOM 0 HZ2 LYS A 60 -2.844 9.578 5.849 1.00 0.35 H new ATOM 0 HZ3 LYS A 60 -3.923 10.576 6.699 1.00 0.35 H new ATOM 841 N ALA A 61 -0.341 9.797 1.196 1.00 62.03 N ATOM 842 CA ALA A 61 0.507 8.676 0.809 1.00 43.11 C ATOM 843 C ALA A 61 1.982 9.013 1.002 1.00 30.42 C ATOM 844 O ALA A 61 2.830 8.597 0.212 1.00 31.34 O ATOM 845 CB ALA A 61 0.238 8.284 -0.636 1.00 40.34 C ATOM 0 H ALA A 61 -0.138 10.668 0.706 1.00 62.03 H new ATOM 0 HA ALA A 61 0.266 7.830 1.453 1.00 43.11 H new ATOM 0 HB1 ALA A 61 0.878 7.446 -0.911 1.00 40.34 H new ATOM 0 HB2 ALA A 61 -0.807 7.994 -0.746 1.00 40.34 H new ATOM 0 HB3 ALA A 61 0.450 9.131 -1.288 1.00 40.34 H new ATOM 851 N GLN A 62 2.280 9.766 2.055 1.00 11.52 N ATOM 852 CA GLN A 62 3.653 10.158 2.349 1.00 0.24 C ATOM 853 C GLN A 62 4.107 9.586 3.688 1.00 61.22 C ATOM 854 O GLN A 62 5.250 9.151 3.832 1.00 14.12 O ATOM 855 CB GLN A 62 3.778 11.683 2.364 1.00 31.22 C ATOM 856 CG GLN A 62 2.912 12.354 3.419 1.00 4.24 C ATOM 857 CD GLN A 62 3.001 13.867 3.371 1.00 4.20 C ATOM 858 OE1 GLN A 62 3.628 14.435 2.475 1.00 71.20 O ATOM 859 NE2 GLN A 62 2.373 14.529 4.335 1.00 33.40 N ATOM 0 H GLN A 62 1.590 10.117 2.719 1.00 11.52 H new ATOM 0 HA GLN A 62 4.295 9.755 1.566 1.00 0.24 H new ATOM 0 HB2 GLN A 62 4.820 11.952 2.536 1.00 31.22 H new ATOM 0 HB3 GLN A 62 3.507 12.071 1.382 1.00 31.22 H new ATOM 0 HG2 GLN A 62 1.875 12.050 3.279 1.00 4.24 H new ATOM 0 HG3 GLN A 62 3.215 12.007 4.407 1.00 4.24 H new ATOM 0 HE21 GLN A 62 1.866 14.018 5.057 1.00 33.40 H new ATOM 0 HE22 GLN A 62 2.398 15.549 4.353 1.00 33.40 H new ATOM 866 N ASP A 63 3.206 9.590 4.664 1.00 41.12 N ATOM 867 CA ASP A 63 3.513 9.070 5.991 1.00 5.32 C ATOM 868 C ASP A 63 2.605 7.895 6.340 1.00 52.54 C ATOM 869 O ASP A 63 2.031 7.844 7.428 1.00 44.23 O ATOM 870 CB ASP A 63 3.368 10.172 7.041 1.00 11.53 C ATOM 871 CG ASP A 63 4.267 9.952 8.242 1.00 52.50 C ATOM 872 OD1 ASP A 63 4.663 8.792 8.480 1.00 12.32 O ATOM 873 OD2 ASP A 63 4.573 10.939 8.943 1.00 70.10 O ATOM 0 H ASP A 63 2.256 9.948 4.561 1.00 41.12 H new ATOM 0 HA ASP A 63 4.545 8.718 5.985 1.00 5.32 H new ATOM 0 HB2 ASP A 63 3.603 11.135 6.587 1.00 11.53 H new ATOM 0 HB3 ASP A 63 2.331 10.220 7.372 1.00 11.53 H new ATOM 877 N ILE A 64 2.477 6.957 5.409 1.00 62.34 N ATOM 878 CA ILE A 64 1.637 5.783 5.617 1.00 4.12 C ATOM 879 C ILE A 64 2.420 4.659 6.286 1.00 5.10 C ATOM 880 O ILE A 64 3.483 4.259 5.809 1.00 11.55 O ATOM 881 CB ILE A 64 1.051 5.266 4.290 1.00 13.54 C ATOM 882 CG1 ILE A 64 0.050 6.275 3.722 1.00 3.14 C ATOM 883 CG2 ILE A 64 0.389 3.912 4.495 1.00 14.41 C ATOM 884 CD1 ILE A 64 -1.182 6.453 4.582 1.00 0.23 C ATOM 0 H ILE A 64 2.944 6.986 4.503 1.00 62.34 H new ATOM 0 HA ILE A 64 0.820 6.092 6.269 1.00 4.12 H new ATOM 0 HB ILE A 64 1.863 5.146 3.573 1.00 13.54 H new ATOM 0 HG12 ILE A 64 0.545 7.239 3.606 1.00 3.14 H new ATOM 0 HG13 ILE A 64 -0.255 5.951 2.727 1.00 3.14 H new ATOM 0 HG21 ILE A 64 -0.020 3.560 3.548 1.00 14.41 H new ATOM 0 HG22 ILE A 64 1.127 3.197 4.859 1.00 14.41 H new ATOM 0 HG23 ILE A 64 -0.415 4.007 5.225 1.00 14.41 H new ATOM 0 HD11 ILE A 64 -1.847 7.182 4.119 1.00 0.23 H new ATOM 0 HD12 ILE A 64 -1.700 5.499 4.678 1.00 0.23 H new ATOM 0 HD13 ILE A 64 -0.888 6.807 5.570 1.00 0.23 H new ATOM 895 N SER A 65 1.887 4.151 7.392 1.00 21.23 N ATOM 896 CA SER A 65 2.537 3.073 8.129 1.00 73.45 C ATOM 897 C SER A 65 2.688 1.832 7.254 1.00 5.13 C ATOM 898 O SER A 65 2.435 1.871 6.050 1.00 13.21 O ATOM 899 CB SER A 65 1.735 2.730 9.386 1.00 20.01 C ATOM 900 OG SER A 65 2.504 2.949 10.556 1.00 33.32 O ATOM 0 H SER A 65 1.007 4.468 7.798 1.00 21.23 H new ATOM 0 HA SER A 65 3.530 3.413 8.422 1.00 73.45 H new ATOM 0 HB2 SER A 65 0.831 3.338 9.422 1.00 20.01 H new ATOM 0 HB3 SER A 65 1.417 1.688 9.346 1.00 20.01 H new ATOM 0 HG SER A 65 1.969 2.724 11.346 1.00 33.32 H new ATOM 905 N THR A 66 3.103 0.729 7.870 1.00 65.21 N ATOM 906 CA THR A 66 3.290 -0.524 7.149 1.00 24.53 C ATOM 907 C THR A 66 2.040 -0.897 6.360 1.00 5.15 C ATOM 908 O THR A 66 1.030 -0.195 6.414 1.00 31.20 O ATOM 909 CB THR A 66 3.641 -1.677 8.109 1.00 10.31 C ATOM 910 OG1 THR A 66 4.008 -2.842 7.361 1.00 30.45 O ATOM 911 CG2 THR A 66 2.465 -2.001 9.017 1.00 22.15 C ATOM 0 H THR A 66 3.316 0.678 8.866 1.00 65.21 H new ATOM 0 HA THR A 66 4.119 -0.371 6.458 1.00 24.53 H new ATOM 0 HB THR A 66 4.482 -1.363 8.728 1.00 10.31 H new ATOM 0 HG1 THR A 66 3.254 -3.467 7.338 1.00 30.45 H new ATOM 0 HG21 THR A 66 2.736 -2.818 9.686 1.00 22.15 H new ATOM 0 HG22 THR A 66 2.206 -1.121 9.605 1.00 22.15 H new ATOM 0 HG23 THR A 66 1.608 -2.297 8.411 1.00 22.15 H new ATOM 919 N ILE A 67 2.116 -2.004 5.631 1.00 74.35 N ATOM 920 CA ILE A 67 0.988 -2.470 4.832 1.00 73.12 C ATOM 921 C ILE A 67 -0.294 -2.500 5.657 1.00 41.32 C ATOM 922 O ILE A 67 -1.386 -2.286 5.132 1.00 63.35 O ATOM 923 CB ILE A 67 1.248 -3.875 4.258 1.00 44.24 C ATOM 924 CG1 ILE A 67 2.366 -3.825 3.214 1.00 11.21 C ATOM 925 CG2 ILE A 67 -0.026 -4.442 3.650 1.00 74.03 C ATOM 926 CD1 ILE A 67 3.146 -5.115 3.101 1.00 73.43 C ATOM 0 H ILE A 67 2.945 -2.595 5.576 1.00 74.35 H new ATOM 0 HA ILE A 67 0.871 -1.765 4.009 1.00 73.12 H new ATOM 0 HB ILE A 67 1.564 -4.530 5.070 1.00 44.24 H new ATOM 0 HG12 ILE A 67 1.934 -3.585 2.242 1.00 11.21 H new ATOM 0 HG13 ILE A 67 3.052 -3.016 3.467 1.00 11.21 H new ATOM 0 HG21 ILE A 67 0.173 -5.435 3.248 1.00 74.03 H new ATOM 0 HG22 ILE A 67 -0.797 -4.509 4.418 1.00 74.03 H new ATOM 0 HG23 ILE A 67 -0.369 -3.788 2.848 1.00 74.03 H new ATOM 0 HD11 ILE A 67 3.921 -5.006 2.343 1.00 73.43 H new ATOM 0 HD12 ILE A 67 3.607 -5.346 4.061 1.00 73.43 H new ATOM 0 HD13 ILE A 67 2.472 -5.924 2.818 1.00 73.43 H new ATOM 937 N GLN A 68 -0.153 -2.764 6.952 1.00 43.51 N ATOM 938 CA GLN A 68 -1.301 -2.820 7.850 1.00 43.31 C ATOM 939 C GLN A 68 -2.141 -1.551 7.739 1.00 60.11 C ATOM 940 O GLN A 68 -3.336 -1.612 7.453 1.00 13.42 O ATOM 941 CB GLN A 68 -0.836 -3.014 9.294 1.00 2.45 C ATOM 942 CG GLN A 68 -0.317 -4.412 9.584 1.00 74.22 C ATOM 943 CD GLN A 68 -1.292 -5.240 10.397 1.00 12.42 C ATOM 944 OE1 GLN A 68 -0.962 -5.721 11.482 1.00 72.43 O ATOM 945 NE2 GLN A 68 -2.503 -5.409 9.879 1.00 43.45 N ATOM 0 H GLN A 68 0.744 -2.942 7.403 1.00 43.51 H new ATOM 0 HA GLN A 68 -1.919 -3.669 7.558 1.00 43.31 H new ATOM 0 HB2 GLN A 68 -0.050 -2.291 9.514 1.00 2.45 H new ATOM 0 HB3 GLN A 68 -1.666 -2.797 9.966 1.00 2.45 H new ATOM 0 HG2 GLN A 68 -0.111 -4.921 8.643 1.00 74.22 H new ATOM 0 HG3 GLN A 68 0.629 -4.340 10.121 1.00 74.22 H new ATOM 0 HE21 GLN A 68 -2.734 -4.993 8.977 1.00 43.45 H new ATOM 0 HE22 GLN A 68 -3.202 -5.955 10.383 1.00 43.45 H new ATOM 952 N GLN A 69 -1.507 -0.405 7.967 1.00 63.42 N ATOM 953 CA GLN A 69 -2.197 0.876 7.893 1.00 14.50 C ATOM 954 C GLN A 69 -2.487 1.256 6.446 1.00 44.51 C ATOM 955 O GLN A 69 -3.507 1.879 6.149 1.00 24.34 O ATOM 956 CB GLN A 69 -1.360 1.969 8.562 1.00 54.32 C ATOM 957 CG GLN A 69 -2.134 2.789 9.582 1.00 73.35 C ATOM 958 CD GLN A 69 -3.335 3.489 8.978 1.00 10.22 C ATOM 959 OE1 GLN A 69 -4.479 3.093 9.204 1.00 32.02 O ATOM 960 NE2 GLN A 69 -3.081 4.538 8.204 1.00 71.32 N ATOM 0 H GLN A 69 -0.517 -0.338 8.204 1.00 63.42 H new ATOM 0 HA GLN A 69 -3.146 0.780 8.421 1.00 14.50 H new ATOM 0 HB2 GLN A 69 -0.503 1.509 9.053 1.00 54.32 H new ATOM 0 HB3 GLN A 69 -0.968 2.636 7.794 1.00 54.32 H new ATOM 0 HG2 GLN A 69 -2.467 2.137 10.390 1.00 73.35 H new ATOM 0 HG3 GLN A 69 -1.470 3.532 10.025 1.00 73.35 H new ATOM 0 HE21 GLN A 69 -2.118 4.832 8.043 1.00 71.32 H new ATOM 0 HE22 GLN A 69 -3.849 5.050 7.770 1.00 71.32 H new ATOM 967 N ALA A 70 -1.584 0.877 5.547 1.00 50.02 N ATOM 968 CA ALA A 70 -1.744 1.177 4.130 1.00 63.30 C ATOM 969 C ALA A 70 -3.075 0.651 3.604 1.00 33.04 C ATOM 970 O ALA A 70 -3.858 1.395 3.015 1.00 52.32 O ATOM 971 CB ALA A 70 -0.590 0.588 3.332 1.00 21.15 C ATOM 0 H ALA A 70 -0.734 0.362 5.776 1.00 50.02 H new ATOM 0 HA ALA A 70 -1.739 2.260 4.011 1.00 63.30 H new ATOM 0 HB1 ALA A 70 -0.723 0.820 2.275 1.00 21.15 H new ATOM 0 HB2 ALA A 70 0.350 1.015 3.682 1.00 21.15 H new ATOM 0 HB3 ALA A 70 -0.569 -0.493 3.466 1.00 21.15 H new ATOM 977 N ALA A 71 -3.324 -0.636 3.821 1.00 74.43 N ATOM 978 CA ALA A 71 -4.562 -1.261 3.370 1.00 70.34 C ATOM 979 C ALA A 71 -5.780 -0.546 3.945 1.00 5.12 C ATOM 980 O ALA A 71 -6.749 -0.283 3.234 1.00 75.04 O ATOM 981 CB ALA A 71 -4.581 -2.734 3.756 1.00 42.44 C ATOM 0 H ALA A 71 -2.685 -1.266 4.306 1.00 74.43 H new ATOM 0 HA ALA A 71 -4.606 -1.180 2.284 1.00 70.34 H new ATOM 0 HB1 ALA A 71 -5.511 -3.188 3.413 1.00 42.44 H new ATOM 0 HB2 ALA A 71 -3.736 -3.243 3.292 1.00 42.44 H new ATOM 0 HB3 ALA A 71 -4.510 -2.827 4.840 1.00 42.44 H new ATOM 987 N ASP A 72 -5.722 -0.234 5.235 1.00 72.10 N ATOM 988 CA ASP A 72 -6.820 0.452 5.905 1.00 34.01 C ATOM 989 C ASP A 72 -7.127 1.782 5.225 1.00 3.24 C ATOM 990 O ASP A 72 -8.287 2.176 5.100 1.00 62.41 O ATOM 991 CB ASP A 72 -6.481 0.684 7.378 1.00 32.34 C ATOM 992 CG ASP A 72 -7.719 0.783 8.249 1.00 21.11 C ATOM 993 OD1 ASP A 72 -8.822 0.487 7.746 1.00 75.23 O ATOM 994 OD2 ASP A 72 -7.584 1.158 9.432 1.00 33.54 O ATOM 0 H ASP A 72 -4.926 -0.445 5.837 1.00 72.10 H new ATOM 0 HA ASP A 72 -7.705 -0.181 5.839 1.00 34.01 H new ATOM 0 HB2 ASP A 72 -5.853 -0.132 7.736 1.00 32.34 H new ATOM 0 HB3 ASP A 72 -5.899 1.600 7.474 1.00 32.34 H new ATOM 998 N VAL A 73 -6.078 2.472 4.787 1.00 63.10 N ATOM 999 CA VAL A 73 -6.234 3.759 4.120 1.00 51.21 C ATOM 1000 C VAL A 73 -7.001 3.609 2.811 1.00 43.03 C ATOM 1001 O VAL A 73 -8.033 4.248 2.608 1.00 74.10 O ATOM 1002 CB VAL A 73 -4.869 4.411 3.831 1.00 24.22 C ATOM 1003 CG1 VAL A 73 -5.050 5.714 3.067 1.00 73.41 C ATOM 1004 CG2 VAL A 73 -4.106 4.644 5.126 1.00 63.10 C ATOM 0 H VAL A 73 -5.111 2.161 4.882 1.00 63.10 H new ATOM 0 HA VAL A 73 -6.798 4.401 4.797 1.00 51.21 H new ATOM 0 HB VAL A 73 -4.286 3.732 3.209 1.00 24.22 H new ATOM 0 HG11 VAL A 73 -4.075 6.160 2.872 1.00 73.41 H new ATOM 0 HG12 VAL A 73 -5.553 5.514 2.121 1.00 73.41 H new ATOM 0 HG13 VAL A 73 -5.652 6.403 3.660 1.00 73.41 H new ATOM 0 HG21 VAL A 73 -3.144 5.105 4.903 1.00 63.10 H new ATOM 0 HG22 VAL A 73 -4.683 5.303 5.775 1.00 63.10 H new ATOM 0 HG23 VAL A 73 -3.944 3.691 5.629 1.00 63.10 H new ATOM 1014 N ILE A 74 -6.489 2.761 1.926 1.00 64.03 N ATOM 1015 CA ILE A 74 -7.126 2.525 0.636 1.00 54.41 C ATOM 1016 C ILE A 74 -8.591 2.137 0.809 1.00 22.22 C ATOM 1017 O ILE A 74 -9.442 2.511 0.003 1.00 34.24 O ATOM 1018 CB ILE A 74 -6.403 1.421 -0.156 1.00 51.25 C ATOM 1019 CG1 ILE A 74 -5.101 1.958 -0.751 1.00 5.51 C ATOM 1020 CG2 ILE A 74 -7.308 0.878 -1.254 1.00 34.40 C ATOM 1021 CD1 ILE A 74 -3.905 1.788 0.161 1.00 52.41 C ATOM 0 H ILE A 74 -5.634 2.225 2.078 1.00 64.03 H new ATOM 0 HA ILE A 74 -7.064 3.459 0.078 1.00 54.41 H new ATOM 0 HB ILE A 74 -6.160 0.606 0.526 1.00 51.25 H new ATOM 0 HG12 ILE A 74 -4.904 1.448 -1.694 1.00 5.51 H new ATOM 0 HG13 ILE A 74 -5.225 3.016 -0.981 1.00 5.51 H new ATOM 0 HG21 ILE A 74 -6.783 0.098 -1.806 1.00 34.40 H new ATOM 0 HG22 ILE A 74 -8.211 0.462 -0.808 1.00 34.40 H new ATOM 0 HG23 ILE A 74 -7.578 1.685 -1.935 1.00 34.40 H new ATOM 0 HD11 ILE A 74 -3.017 2.191 -0.325 1.00 52.41 H new ATOM 0 HD12 ILE A 74 -4.081 2.322 1.095 1.00 52.41 H new ATOM 0 HD13 ILE A 74 -3.755 0.729 0.371 1.00 52.41 H new ATOM 1032 N GLU A 75 -8.877 1.384 1.867 1.00 23.34 N ATOM 1033 CA GLU A 75 -10.238 0.945 2.147 1.00 31.13 C ATOM 1034 C GLU A 75 -11.200 2.130 2.161 1.00 24.24 C ATOM 1035 O GLU A 75 -12.172 2.163 1.408 1.00 22.00 O ATOM 1036 CB GLU A 75 -10.296 0.212 3.489 1.00 20.22 C ATOM 1037 CG GLU A 75 -10.362 -1.300 3.354 1.00 55.45 C ATOM 1038 CD GLU A 75 -11.340 -1.930 4.327 1.00 32.02 C ATOM 1039 OE1 GLU A 75 -11.033 -1.963 5.538 1.00 24.21 O ATOM 1040 OE2 GLU A 75 -12.411 -2.390 3.880 1.00 54.31 O ATOM 0 H GLU A 75 -8.184 1.066 2.544 1.00 23.34 H new ATOM 0 HA GLU A 75 -10.542 0.261 1.354 1.00 31.13 H new ATOM 0 HB2 GLU A 75 -9.418 0.478 4.077 1.00 20.22 H new ATOM 0 HB3 GLU A 75 -11.168 0.557 4.045 1.00 20.22 H new ATOM 0 HG2 GLU A 75 -10.652 -1.558 2.335 1.00 55.45 H new ATOM 0 HG3 GLU A 75 -9.370 -1.720 3.519 1.00 55.45 H new ATOM 1045 N GLY A 76 -10.920 3.102 3.024 1.00 20.21 N ATOM 1046 CA GLY A 76 -11.768 4.276 3.121 1.00 31.22 C ATOM 1047 C GLY A 76 -11.817 5.064 1.828 1.00 41.11 C ATOM 1048 O GLY A 76 -12.738 5.852 1.606 1.00 61.41 O ATOM 0 H GLY A 76 -10.121 3.097 3.658 1.00 20.21 H new ATOM 0 HA2 GLY A 76 -12.778 3.969 3.395 1.00 31.22 H new ATOM 0 HA3 GLY A 76 -11.402 4.919 3.921 1.00 31.22 H new ATOM 1052 N LEU A 77 -10.823 4.855 0.971 1.00 21.33 N ATOM 1053 CA LEU A 77 -10.754 5.555 -0.308 1.00 31.54 C ATOM 1054 C LEU A 77 -11.513 4.790 -1.387 1.00 61.13 C ATOM 1055 O LEU A 77 -11.779 5.320 -2.467 1.00 72.34 O ATOM 1056 CB LEU A 77 -9.296 5.744 -0.729 1.00 60.14 C ATOM 1057 CG LEU A 77 -8.490 6.761 0.079 1.00 34.32 C ATOM 1058 CD1 LEU A 77 -7.002 6.595 -0.186 1.00 62.41 C ATOM 1059 CD2 LEU A 77 -8.937 8.178 -0.249 1.00 10.54 C ATOM 0 H LEU A 77 -10.054 4.207 1.138 1.00 21.33 H new ATOM 0 HA LEU A 77 -11.220 6.533 -0.186 1.00 31.54 H new ATOM 0 HB2 LEU A 77 -8.793 4.779 -0.666 1.00 60.14 H new ATOM 0 HB3 LEU A 77 -9.277 6.045 -1.776 1.00 60.14 H new ATOM 0 HG LEU A 77 -8.672 6.580 1.138 1.00 34.32 H new ATOM 0 HD11 LEU A 77 -6.445 7.327 0.398 1.00 62.41 H new ATOM 0 HD12 LEU A 77 -6.691 5.590 0.100 1.00 62.41 H new ATOM 0 HD13 LEU A 77 -6.802 6.748 -1.246 1.00 62.41 H new ATOM 0 HD21 LEU A 77 -8.352 8.888 0.335 1.00 10.54 H new ATOM 0 HD22 LEU A 77 -8.786 8.371 -1.311 1.00 10.54 H new ATOM 0 HD23 LEU A 77 -9.994 8.291 -0.007 1.00 10.54 H new ATOM 1070 N LEU A 78 -11.861 3.543 -1.088 1.00 42.24 N ATOM 1071 CA LEU A 78 -12.592 2.706 -2.033 1.00 73.52 C ATOM 1072 C LEU A 78 -14.096 2.799 -1.793 1.00 0.34 C ATOM 1073 O LEU A 78 -14.892 2.281 -2.576 1.00 32.34 O ATOM 1074 CB LEU A 78 -12.134 1.251 -1.915 1.00 73.13 C ATOM 1075 CG LEU A 78 -10.984 0.833 -2.831 1.00 23.32 C ATOM 1076 CD1 LEU A 78 -10.183 -0.295 -2.200 1.00 5.30 C ATOM 1077 CD2 LEU A 78 -11.512 0.416 -4.196 1.00 53.22 C ATOM 0 H LEU A 78 -11.649 3.090 -0.199 1.00 42.24 H new ATOM 0 HA LEU A 78 -12.381 3.067 -3.040 1.00 73.52 H new ATOM 0 HB2 LEU A 78 -11.835 1.068 -0.883 1.00 73.13 H new ATOM 0 HB3 LEU A 78 -12.988 0.605 -2.119 1.00 73.13 H new ATOM 0 HG LEU A 78 -10.323 1.689 -2.966 1.00 23.32 H new ATOM 0 HD11 LEU A 78 -9.369 -0.580 -2.866 1.00 5.30 H new ATOM 0 HD12 LEU A 78 -9.773 0.039 -1.247 1.00 5.30 H new ATOM 0 HD13 LEU A 78 -10.833 -1.154 -2.034 1.00 5.30 H new ATOM 0 HD21 LEU A 78 -10.679 0.122 -4.834 1.00 53.22 H new ATOM 0 HD22 LEU A 78 -12.195 -0.425 -4.080 1.00 53.22 H new ATOM 0 HD23 LEU A 78 -12.041 1.253 -4.653 1.00 53.22 H new ATOM 1088 N GLU A 79 -14.476 3.465 -0.707 1.00 31.02 N ATOM 1089 CA GLU A 79 -15.885 3.627 -0.365 1.00 45.20 C ATOM 1090 C GLU A 79 -16.569 4.596 -1.326 1.00 33.33 C ATOM 1091 O GLU A 79 -17.708 4.377 -1.740 1.00 23.24 O ATOM 1092 CB GLU A 79 -16.029 4.129 1.073 1.00 53.31 C ATOM 1093 CG GLU A 79 -15.101 3.436 2.055 1.00 1.33 C ATOM 1094 CD GLU A 79 -15.593 3.528 3.487 1.00 51.31 C ATOM 1095 OE1 GLU A 79 -16.734 3.098 3.751 1.00 34.30 O ATOM 1096 OE2 GLU A 79 -14.835 4.031 4.343 1.00 73.50 O ATOM 0 H GLU A 79 -13.829 3.901 -0.050 1.00 31.02 H new ATOM 0 HA GLU A 79 -16.369 2.654 -0.452 1.00 45.20 H new ATOM 0 HB2 GLU A 79 -15.833 5.201 1.096 1.00 53.31 H new ATOM 0 HB3 GLU A 79 -17.060 3.986 1.397 1.00 53.31 H new ATOM 0 HG2 GLU A 79 -15.001 2.387 1.776 1.00 1.33 H new ATOM 0 HG3 GLU A 79 -14.108 3.881 1.987 1.00 1.33 H new ATOM 1101 N LYS A 80 -15.867 5.668 -1.674 1.00 43.13 N ATOM 1102 CA LYS A 80 -16.405 6.672 -2.586 1.00 64.31 C ATOM 1103 C LYS A 80 -15.610 6.707 -3.887 1.00 5.02 C ATOM 1104 O LYS A 80 -15.595 7.717 -4.592 1.00 30.33 O ATOM 1105 CB LYS A 80 -16.384 8.053 -1.926 1.00 73.21 C ATOM 1106 CG LYS A 80 -15.255 8.233 -0.927 1.00 75.31 C ATOM 1107 CD LYS A 80 -13.933 8.503 -1.624 1.00 24.20 C ATOM 1108 CE LYS A 80 -12.764 8.428 -0.652 1.00 40.13 C ATOM 1109 NZ LYS A 80 -12.494 9.742 -0.007 1.00 23.00 N ATOM 0 H LYS A 80 -14.924 5.865 -1.339 1.00 43.13 H new ATOM 0 HA LYS A 80 -17.435 6.402 -2.818 1.00 64.31 H new ATOM 0 HB2 LYS A 80 -16.297 8.815 -2.700 1.00 73.21 H new ATOM 0 HB3 LYS A 80 -17.335 8.219 -1.420 1.00 73.21 H new ATOM 0 HG2 LYS A 80 -15.489 9.060 -0.256 1.00 75.31 H new ATOM 0 HG3 LYS A 80 -15.167 7.338 -0.311 1.00 75.31 H new ATOM 0 HD2 LYS A 80 -13.788 7.778 -2.425 1.00 24.20 H new ATOM 0 HD3 LYS A 80 -13.960 9.489 -2.087 1.00 24.20 H new ATOM 0 HE2 LYS A 80 -12.977 7.684 0.115 1.00 40.13 H new ATOM 0 HE3 LYS A 80 -11.872 8.093 -1.182 1.00 40.13 H new ATOM 0 HZ1 LYS A 80 -11.691 9.649 0.647 1.00 23.00 H new ATOM 0 HZ2 LYS A 80 -12.266 10.447 -0.737 1.00 23.00 H new ATOM 0 HZ3 LYS A 80 -13.336 10.050 0.520 1.00 23.00 H new ATOM 1119 N LYS A 81 -14.948 5.598 -4.202 1.00 32.23 N ATOM 1120 CA LYS A 81 -14.153 5.499 -5.419 1.00 42.42 C ATOM 1121 C LYS A 81 -15.043 5.255 -6.633 1.00 1.42 C ATOM 1122 O LYS A 81 -14.686 4.497 -7.534 1.00 41.34 O ATOM 1123 CB LYS A 81 -13.125 4.373 -5.292 1.00 72.24 C ATOM 1124 CG LYS A 81 -13.732 2.983 -5.380 1.00 41.35 C ATOM 1125 CD LYS A 81 -13.234 2.235 -6.606 1.00 62.53 C ATOM 1126 CE LYS A 81 -14.369 1.515 -7.318 1.00 71.23 C ATOM 1127 NZ LYS A 81 -14.013 0.108 -7.648 1.00 62.25 N ATOM 0 H LYS A 81 -14.947 4.754 -3.629 1.00 32.23 H new ATOM 0 HA LYS A 81 -13.630 6.445 -5.559 1.00 42.42 H new ATOM 0 HB2 LYS A 81 -12.378 4.484 -6.077 1.00 72.24 H new ATOM 0 HB3 LYS A 81 -12.604 4.473 -4.340 1.00 72.24 H new ATOM 0 HG2 LYS A 81 -13.483 2.418 -4.482 1.00 41.35 H new ATOM 0 HG3 LYS A 81 -14.819 3.061 -5.416 1.00 41.35 H new ATOM 0 HD2 LYS A 81 -12.758 2.935 -7.293 1.00 62.53 H new ATOM 0 HD3 LYS A 81 -12.473 1.513 -6.309 1.00 62.53 H new ATOM 0 HE2 LYS A 81 -15.258 1.526 -6.688 1.00 71.23 H new ATOM 0 HE3 LYS A 81 -14.621 2.050 -8.234 1.00 71.23 H new ATOM 0 HZ1 LYS A 81 -14.813 -0.348 -8.132 1.00 62.25 H new ATOM 0 HZ2 LYS A 81 -13.180 0.098 -8.270 1.00 62.25 H new ATOM 0 HZ3 LYS A 81 -13.798 -0.410 -6.772 1.00 62.25 H new ATOM 1137 N ALA A 82 -16.203 5.903 -6.650 1.00 4.51 N ATOM 1138 CA ALA A 82 -17.143 5.759 -7.756 1.00 34.42 C ATOM 1139 C ALA A 82 -17.968 7.027 -7.944 1.00 0.31 C ATOM 1140 O ALA A 82 -17.715 8.046 -7.299 1.00 20.30 O ATOM 1141 CB ALA A 82 -18.054 4.563 -7.520 1.00 52.21 C ATOM 0 H ALA A 82 -16.515 6.533 -5.911 1.00 4.51 H new ATOM 0 HA ALA A 82 -16.571 5.592 -8.669 1.00 34.42 H new ATOM 0 HB1 ALA A 82 -18.751 4.467 -8.353 1.00 52.21 H new ATOM 0 HB2 ALA A 82 -17.453 3.657 -7.443 1.00 52.21 H new ATOM 0 HB3 ALA A 82 -18.612 4.708 -6.595 1.00 52.21 H new TER 1147 ALA A 82