USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 5 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Set 1.2: A 35 THR OG1 : rot 155:sc= 0.00206 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.137 (180deg=-0.0334) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0.869 (180deg=0.358) USER MOD Single : A 10 MET CE :methyl 172:sc= 0 (180deg=-0.116) USER MOD Single : A 11 GLN : amide:sc= 0.64 K(o=0.64,f=-0.068) USER MOD Single : A 13 SER OG : rot 8:sc= 0.593 USER MOD Single : A 15 MET CE :methyl 168:sc= -0.574 (180deg=-1.24) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0981 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 2.31 (180deg=1.57) USER MOD Single : A 31 MET CE :methyl 156:sc= -1.79 (180deg=-4.38!) USER MOD Single : A 38 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.038) USER MOD Single : A 40 ASN : amide:sc= -0.0841 K(o=-0.084,f=-1.9) USER MOD Single : A 43 THR OG1 : rot -41:sc= 0.716 USER MOD Single : A 45 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= 0.346 X(o=0.35,f=0) USER MOD Single : A 50 TYR OH : rot 110:sc= -0.326 USER MOD Single : A 55 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= 0.903 (180deg=-0.88!) USER MOD Single : A 69 TYR OH : rot -30:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.638 K(o=0.64,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.008 15.379 16.725 1.00 6.40 N ATOM 2 CA MET A 1 -3.207 16.613 16.828 1.00 4.92 C ATOM 3 C MET A 1 -1.784 16.232 16.431 1.00 3.28 C ATOM 4 O MET A 1 -1.390 15.120 16.763 1.00 4.02 O ATOM 5 CB MET A 1 -3.230 17.174 18.262 1.00 5.63 C ATOM 6 CG MET A 1 -4.573 17.815 18.649 1.00 7.19 C ATOM 7 SD MET A 1 -4.801 18.156 20.418 1.00 8.61 S ATOM 8 CE MET A 1 -3.456 19.318 20.744 1.00 8.57 C ATOM 0 H1 MET A 1 -4.613 15.427 15.880 1.00 6.40 H new ATOM 0 H2 MET A 1 -3.373 14.558 16.650 1.00 6.40 H new ATOM 0 H3 MET A 1 -4.603 15.280 17.572 1.00 6.40 H new ATOM 0 HA MET A 1 -3.611 17.391 16.180 1.00 4.92 H new ATOM 0 HB2 MET A 1 -3.006 16.369 18.962 1.00 5.63 H new ATOM 0 HB3 MET A 1 -2.439 17.917 18.366 1.00 5.63 H new ATOM 0 HG2 MET A 1 -4.679 18.751 18.101 1.00 7.19 H new ATOM 0 HG3 MET A 1 -5.377 17.158 18.318 1.00 7.19 H new ATOM 0 HE1 MET A 1 -3.476 19.612 21.793 1.00 8.57 H new ATOM 0 HE2 MET A 1 -2.502 18.842 20.518 1.00 8.57 H new ATOM 0 HE3 MET A 1 -3.579 20.201 20.117 1.00 8.57 H new ATOM 20 N LEU A 2 -1.065 17.106 15.718 1.00 2.02 N ATOM 21 CA LEU A 2 0.308 16.898 15.260 1.00 1.27 C ATOM 22 C LEU A 2 0.507 15.551 14.543 1.00 1.33 C ATOM 23 O LEU A 2 1.038 14.599 15.106 1.00 2.44 O ATOM 24 CB LEU A 2 1.298 17.084 16.419 1.00 2.93 C ATOM 25 CG LEU A 2 2.708 17.373 15.873 1.00 4.21 C ATOM 26 CD1 LEU A 2 2.934 18.887 15.763 1.00 4.65 C ATOM 27 CD2 LEU A 2 3.778 16.748 16.772 1.00 6.16 C ATOM 0 H LEU A 2 -1.440 18.011 15.435 1.00 2.02 H new ATOM 0 HA LEU A 2 0.514 17.661 14.509 1.00 1.27 H new ATOM 0 HB2 LEU A 2 0.972 17.905 17.057 1.00 2.93 H new ATOM 0 HB3 LEU A 2 1.317 16.187 17.038 1.00 2.93 H new ATOM 0 HG LEU A 2 2.788 16.928 14.881 1.00 4.21 H new ATOM 0 HD11 LEU A 2 3.935 19.078 15.376 1.00 4.65 H new ATOM 0 HD12 LEU A 2 2.195 19.317 15.087 1.00 4.65 H new ATOM 0 HD13 LEU A 2 2.833 19.342 16.748 1.00 4.65 H new ATOM 0 HD21 LEU A 2 4.766 16.965 16.366 1.00 6.16 H new ATOM 0 HD22 LEU A 2 3.698 17.165 17.776 1.00 6.16 H new ATOM 0 HD23 LEU A 2 3.632 15.669 16.814 1.00 6.16 H new ATOM 39 N SER A 3 0.096 15.487 13.277 1.00 0.55 N ATOM 40 CA SER A 3 0.186 14.303 12.448 1.00 0.49 C ATOM 41 C SER A 3 1.646 13.980 12.121 1.00 0.45 C ATOM 42 O SER A 3 2.271 14.678 11.322 1.00 0.66 O ATOM 43 CB SER A 3 -0.633 14.566 11.178 1.00 0.67 C ATOM 44 OG SER A 3 -1.791 15.304 11.536 1.00 1.06 O ATOM 0 H SER A 3 -0.319 16.284 12.794 1.00 0.55 H new ATOM 0 HA SER A 3 -0.213 13.434 12.972 1.00 0.49 H new ATOM 0 HB2 SER A 3 -0.039 15.121 10.452 1.00 0.67 H new ATOM 0 HB3 SER A 3 -0.914 13.624 10.706 1.00 0.67 H new ATOM 0 HG SER A 3 -2.326 15.483 10.734 1.00 1.06 H new ATOM 50 N GLU A 4 2.189 12.928 12.736 1.00 0.40 N ATOM 51 CA GLU A 4 3.449 12.337 12.296 1.00 0.42 C ATOM 52 C GLU A 4 3.336 11.760 10.882 1.00 0.39 C ATOM 53 O GLU A 4 2.259 11.711 10.293 1.00 0.64 O ATOM 54 CB GLU A 4 3.952 11.258 13.269 1.00 0.65 C ATOM 55 CG GLU A 4 5.152 11.692 14.112 1.00 1.00 C ATOM 56 CD GLU A 4 6.185 10.573 14.169 1.00 1.78 C ATOM 57 OE1 GLU A 4 6.709 10.241 13.085 1.00 3.10 O ATOM 58 OE2 GLU A 4 6.430 9.961 15.233 1.00 2.12 O ATOM 0 H GLU A 4 1.771 12.467 13.545 1.00 0.40 H new ATOM 0 HA GLU A 4 4.180 13.145 12.283 1.00 0.42 H new ATOM 0 HB2 GLU A 4 3.137 10.975 13.935 1.00 0.65 H new ATOM 0 HB3 GLU A 4 4.223 10.368 12.701 1.00 0.65 H new ATOM 0 HG2 GLU A 4 5.600 12.590 13.686 1.00 1.00 H new ATOM 0 HG3 GLU A 4 4.825 11.947 15.120 1.00 1.00 H new ATOM 65 N GLN A 5 4.466 11.287 10.353 1.00 0.33 N ATOM 66 CA GLN A 5 4.549 10.437 9.181 1.00 0.33 C ATOM 67 C GLN A 5 5.583 9.355 9.458 1.00 0.34 C ATOM 68 O GLN A 5 6.605 9.644 10.073 1.00 0.41 O ATOM 69 CB GLN A 5 5.049 11.259 8.001 1.00 0.41 C ATOM 70 CG GLN A 5 4.077 12.371 7.607 1.00 0.49 C ATOM 71 CD GLN A 5 2.930 11.910 6.711 1.00 0.47 C ATOM 72 OE1 GLN A 5 2.157 12.736 6.241 1.00 1.05 O ATOM 73 NE2 GLN A 5 2.811 10.611 6.429 1.00 0.48 N ATOM 0 H GLN A 5 5.381 11.499 10.751 1.00 0.33 H new ATOM 0 HA GLN A 5 3.571 10.010 8.960 1.00 0.33 H new ATOM 0 HB2 GLN A 5 6.015 11.697 8.251 1.00 0.41 H new ATOM 0 HB3 GLN A 5 5.209 10.602 7.147 1.00 0.41 H new ATOM 0 HG2 GLN A 5 3.661 12.813 8.513 1.00 0.49 H new ATOM 0 HG3 GLN A 5 4.631 13.157 7.094 1.00 0.49 H new ATOM 0 HE21 GLN A 5 3.465 9.940 6.831 1.00 0.48 H new ATOM 0 HE22 GLN A 5 2.066 10.289 5.811 1.00 0.48 H new ATOM 82 N LYS A 6 5.351 8.138 8.967 1.00 0.32 N ATOM 83 CA LYS A 6 6.365 7.103 8.859 1.00 0.34 C ATOM 84 C LYS A 6 6.167 6.332 7.556 1.00 0.31 C ATOM 85 O LYS A 6 5.073 6.323 6.982 1.00 0.30 O ATOM 86 CB LYS A 6 6.380 6.179 10.084 1.00 0.44 C ATOM 87 CG LYS A 6 6.702 6.961 11.367 1.00 0.97 C ATOM 88 CD LYS A 6 7.019 6.024 12.542 1.00 1.26 C ATOM 89 CE LYS A 6 6.961 6.737 13.906 1.00 2.68 C ATOM 90 NZ LYS A 6 7.659 8.039 13.924 1.00 3.69 N ATOM 0 H LYS A 6 4.435 7.844 8.629 1.00 0.32 H new ATOM 0 HA LYS A 6 7.346 7.577 8.836 1.00 0.34 H new ATOM 0 HB2 LYS A 6 5.411 5.691 10.186 1.00 0.44 H new ATOM 0 HB3 LYS A 6 7.120 5.392 9.940 1.00 0.44 H new ATOM 0 HG2 LYS A 6 7.552 7.619 11.188 1.00 0.97 H new ATOM 0 HG3 LYS A 6 5.856 7.597 11.627 1.00 0.97 H new ATOM 0 HD2 LYS A 6 6.312 5.195 12.540 1.00 1.26 H new ATOM 0 HD3 LYS A 6 8.012 5.597 12.402 1.00 1.26 H new ATOM 0 HE2 LYS A 6 5.918 6.890 14.182 1.00 2.68 H new ATOM 0 HE3 LYS A 6 7.400 6.089 14.664 1.00 2.68 H new ATOM 0 HZ1 LYS A 6 7.509 8.501 14.844 1.00 3.69 H new ATOM 0 HZ2 LYS A 6 8.677 7.889 13.774 1.00 3.69 H new ATOM 0 HZ3 LYS A 6 7.283 8.645 13.167 1.00 3.69 H new ATOM 104 N GLU A 7 7.262 5.729 7.098 1.00 0.34 N ATOM 105 CA GLU A 7 7.458 5.153 5.787 1.00 0.32 C ATOM 106 C GLU A 7 7.630 3.654 5.952 1.00 0.42 C ATOM 107 O GLU A 7 8.738 3.134 6.074 1.00 0.80 O ATOM 108 CB GLU A 7 8.709 5.740 5.128 1.00 0.40 C ATOM 109 CG GLU A 7 8.891 7.253 5.322 1.00 0.54 C ATOM 110 CD GLU A 7 9.575 7.643 6.636 1.00 0.80 C ATOM 111 OE1 GLU A 7 9.592 6.804 7.567 1.00 0.79 O ATOM 112 OE2 GLU A 7 10.058 8.792 6.688 1.00 1.65 O ATOM 0 H GLU A 7 8.091 5.627 7.683 1.00 0.34 H new ATOM 0 HA GLU A 7 6.599 5.375 5.154 1.00 0.32 H new ATOM 0 HB2 GLU A 7 9.586 5.229 5.526 1.00 0.40 H new ATOM 0 HB3 GLU A 7 8.674 5.527 4.060 1.00 0.40 H new ATOM 0 HG2 GLU A 7 9.476 7.646 4.491 1.00 0.54 H new ATOM 0 HG3 GLU A 7 7.913 7.733 5.279 1.00 0.54 H new ATOM 119 N ILE A 8 6.520 2.937 5.980 1.00 0.30 N ATOM 120 CA ILE A 8 6.561 1.525 6.207 1.00 0.31 C ATOM 121 C ILE A 8 6.846 0.857 4.863 1.00 0.29 C ATOM 122 O ILE A 8 6.653 1.469 3.809 1.00 0.39 O ATOM 123 CB ILE A 8 5.275 1.114 6.907 1.00 0.48 C ATOM 124 CG1 ILE A 8 5.034 2.063 8.103 1.00 1.43 C ATOM 125 CG2 ILE A 8 5.418 -0.332 7.341 1.00 0.81 C ATOM 126 CD1 ILE A 8 4.323 1.422 9.292 1.00 2.32 C ATOM 0 H ILE A 8 5.584 3.321 5.847 1.00 0.30 H new ATOM 0 HA ILE A 8 7.358 1.201 6.877 1.00 0.31 H new ATOM 0 HB ILE A 8 4.411 1.190 6.246 1.00 0.48 H new ATOM 0 HG12 ILE A 8 5.995 2.454 8.439 1.00 1.43 H new ATOM 0 HG13 ILE A 8 4.446 2.914 7.761 1.00 1.43 H new ATOM 0 HG21 ILE A 8 4.507 -0.652 7.847 1.00 0.81 H new ATOM 0 HG22 ILE A 8 5.587 -0.960 6.466 1.00 0.81 H new ATOM 0 HG23 ILE A 8 6.263 -0.425 8.023 1.00 0.81 H new ATOM 0 HD11 ILE A 8 4.197 2.162 10.083 1.00 2.32 H new ATOM 0 HD12 ILE A 8 3.345 1.057 8.978 1.00 2.32 H new ATOM 0 HD13 ILE A 8 4.918 0.589 9.666 1.00 2.32 H new ATOM 138 N ALA A 9 7.364 -0.368 4.919 1.00 0.31 N ATOM 139 CA ALA A 9 7.697 -1.210 3.785 1.00 0.35 C ATOM 140 C ALA A 9 7.006 -2.553 3.994 1.00 0.43 C ATOM 141 O ALA A 9 7.047 -3.071 5.110 1.00 0.53 O ATOM 142 CB ALA A 9 9.213 -1.412 3.727 1.00 0.39 C ATOM 0 H ALA A 9 7.572 -0.820 5.809 1.00 0.31 H new ATOM 0 HA ALA A 9 7.371 -0.751 2.852 1.00 0.35 H new ATOM 0 HB1 ALA A 9 9.463 -2.044 2.875 1.00 0.39 H new ATOM 0 HB2 ALA A 9 9.705 -0.445 3.618 1.00 0.39 H new ATOM 0 HB3 ALA A 9 9.552 -1.890 4.646 1.00 0.39 H new ATOM 148 N MET A 10 6.389 -3.117 2.953 1.00 0.41 N ATOM 149 CA MET A 10 5.807 -4.453 3.008 1.00 0.42 C ATOM 150 C MET A 10 6.105 -5.209 1.712 1.00 0.25 C ATOM 151 O MET A 10 6.558 -4.612 0.735 1.00 0.23 O ATOM 152 CB MET A 10 4.290 -4.388 3.224 1.00 0.69 C ATOM 153 CG MET A 10 3.797 -3.553 4.408 1.00 1.07 C ATOM 154 SD MET A 10 3.667 -1.768 4.131 1.00 1.83 S ATOM 155 CE MET A 10 2.584 -1.353 5.515 1.00 2.04 C ATOM 0 H MET A 10 6.281 -2.657 2.049 1.00 0.41 H new ATOM 0 HA MET A 10 6.255 -4.979 3.851 1.00 0.42 H new ATOM 0 HB2 MET A 10 3.834 -3.993 2.316 1.00 0.69 H new ATOM 0 HB3 MET A 10 3.921 -5.406 3.349 1.00 0.69 H new ATOM 0 HG2 MET A 10 2.817 -3.926 4.705 1.00 1.07 H new ATOM 0 HG3 MET A 10 4.470 -3.721 5.249 1.00 1.07 H new ATOM 0 HE1 MET A 10 2.500 -0.269 5.599 1.00 2.04 H new ATOM 0 HE2 MET A 10 1.596 -1.781 5.345 1.00 2.04 H new ATOM 0 HE3 MET A 10 3.001 -1.758 6.437 1.00 2.04 H new ATOM 165 N GLN A 11 5.821 -6.514 1.705 1.00 0.26 N ATOM 166 CA GLN A 11 5.846 -7.356 0.517 1.00 0.25 C ATOM 167 C GLN A 11 4.481 -7.292 -0.167 1.00 0.25 C ATOM 168 O GLN A 11 3.487 -6.940 0.466 1.00 0.30 O ATOM 169 CB GLN A 11 6.170 -8.797 0.937 1.00 0.34 C ATOM 170 CG GLN A 11 7.677 -9.068 0.960 1.00 0.66 C ATOM 171 CD GLN A 11 8.099 -9.837 -0.284 1.00 1.44 C ATOM 172 OE1 GLN A 11 8.383 -11.027 -0.215 1.00 3.15 O ATOM 173 NE2 GLN A 11 8.107 -9.190 -1.444 1.00 0.82 N ATOM 0 H GLN A 11 5.561 -7.023 2.550 1.00 0.26 H new ATOM 0 HA GLN A 11 6.607 -7.009 -0.182 1.00 0.25 H new ATOM 0 HB2 GLN A 11 5.753 -8.988 1.926 1.00 0.34 H new ATOM 0 HB3 GLN A 11 5.688 -9.491 0.249 1.00 0.34 H new ATOM 0 HG2 GLN A 11 8.221 -8.125 1.014 1.00 0.66 H new ATOM 0 HG3 GLN A 11 7.937 -9.638 1.852 1.00 0.66 H new ATOM 0 HE21 GLN A 11 7.867 -8.199 -1.477 1.00 0.82 H new ATOM 0 HE22 GLN A 11 8.353 -9.684 -2.302 1.00 0.82 H new ATOM 182 N VAL A 12 4.427 -7.652 -1.451 1.00 0.31 N ATOM 183 CA VAL A 12 3.201 -7.696 -2.239 1.00 0.34 C ATOM 184 C VAL A 12 2.951 -9.145 -2.662 1.00 0.33 C ATOM 185 O VAL A 12 3.890 -9.931 -2.781 1.00 0.42 O ATOM 186 CB VAL A 12 3.334 -6.749 -3.447 1.00 0.49 C ATOM 187 CG1 VAL A 12 2.059 -6.733 -4.300 1.00 1.24 C ATOM 188 CG2 VAL A 12 3.618 -5.318 -2.972 1.00 1.08 C ATOM 0 H VAL A 12 5.255 -7.926 -1.980 1.00 0.31 H new ATOM 0 HA VAL A 12 2.345 -7.357 -1.656 1.00 0.34 H new ATOM 0 HB VAL A 12 4.160 -7.120 -4.054 1.00 0.49 H new ATOM 0 HG11 VAL A 12 2.193 -6.053 -5.142 1.00 1.24 H new ATOM 0 HG12 VAL A 12 1.858 -7.737 -4.673 1.00 1.24 H new ATOM 0 HG13 VAL A 12 1.219 -6.397 -3.692 1.00 1.24 H new ATOM 0 HG21 VAL A 12 3.710 -4.659 -3.836 1.00 1.08 H new ATOM 0 HG22 VAL A 12 2.799 -4.975 -2.340 1.00 1.08 H new ATOM 0 HG23 VAL A 12 4.547 -5.301 -2.403 1.00 1.08 H new ATOM 198 N SER A 13 1.690 -9.521 -2.870 1.00 0.34 N ATOM 199 CA SER A 13 1.288 -10.806 -3.419 1.00 0.41 C ATOM 200 C SER A 13 -0.021 -10.611 -4.190 1.00 0.49 C ATOM 201 O SER A 13 -0.571 -9.510 -4.220 1.00 0.55 O ATOM 202 CB SER A 13 1.154 -11.821 -2.280 1.00 0.57 C ATOM 203 OG SER A 13 2.434 -12.118 -1.755 1.00 1.08 O ATOM 0 H SER A 13 0.898 -8.917 -2.652 1.00 0.34 H new ATOM 0 HA SER A 13 2.034 -11.196 -4.111 1.00 0.41 H new ATOM 0 HB2 SER A 13 0.512 -11.420 -1.496 1.00 0.57 H new ATOM 0 HB3 SER A 13 0.679 -12.732 -2.645 1.00 0.57 H new ATOM 0 HG SER A 13 3.097 -11.513 -2.149 1.00 1.08 H new ATOM 209 N GLY A 14 -0.491 -11.651 -4.886 1.00 0.63 N ATOM 210 CA GLY A 14 -1.703 -11.580 -5.699 1.00 0.78 C ATOM 211 C GLY A 14 -1.460 -10.919 -7.060 1.00 0.92 C ATOM 212 O GLY A 14 -2.055 -11.326 -8.054 1.00 2.10 O ATOM 0 H GLY A 14 -0.039 -12.565 -4.900 1.00 0.63 H new ATOM 0 HA2 GLY A 14 -2.093 -12.586 -5.852 1.00 0.78 H new ATOM 0 HA3 GLY A 14 -2.467 -11.021 -5.159 1.00 0.78 H new ATOM 216 N MET A 15 -0.601 -9.894 -7.094 1.00 1.01 N ATOM 217 CA MET A 15 -0.238 -9.145 -8.288 1.00 0.92 C ATOM 218 C MET A 15 0.124 -10.029 -9.489 1.00 1.01 C ATOM 219 O MET A 15 0.591 -11.156 -9.329 1.00 1.18 O ATOM 220 CB MET A 15 0.891 -8.162 -7.940 1.00 0.88 C ATOM 221 CG MET A 15 2.268 -8.792 -7.670 1.00 0.91 C ATOM 222 SD MET A 15 3.267 -9.298 -9.100 1.00 1.28 S ATOM 223 CE MET A 15 3.359 -7.756 -10.035 1.00 3.38 C ATOM 0 H MET A 15 -0.126 -9.556 -6.257 1.00 1.01 H new ATOM 0 HA MET A 15 -1.121 -8.593 -8.611 1.00 0.92 H new ATOM 0 HB2 MET A 15 0.993 -7.450 -8.759 1.00 0.88 H new ATOM 0 HB3 MET A 15 0.593 -7.594 -7.059 1.00 0.88 H new ATOM 0 HG2 MET A 15 2.853 -8.080 -7.089 1.00 0.91 H new ATOM 0 HG3 MET A 15 2.117 -9.669 -7.041 1.00 0.91 H new ATOM 0 HE1 MET A 15 4.109 -7.851 -10.820 1.00 3.38 H new ATOM 0 HE2 MET A 15 2.389 -7.544 -10.484 1.00 3.38 H new ATOM 0 HE3 MET A 15 3.635 -6.941 -9.366 1.00 3.38 H new ATOM 233 N THR A 16 -0.070 -9.478 -10.690 1.00 1.02 N ATOM 234 CA THR A 16 0.383 -10.051 -11.951 1.00 1.17 C ATOM 235 C THR A 16 1.442 -9.132 -12.553 1.00 1.02 C ATOM 236 O THR A 16 2.621 -9.481 -12.573 1.00 1.59 O ATOM 237 CB THR A 16 -0.808 -10.216 -12.903 1.00 1.55 C ATOM 238 OG1 THR A 16 -1.629 -9.065 -12.829 1.00 1.68 O ATOM 239 CG2 THR A 16 -1.625 -11.463 -12.556 1.00 2.32 C ATOM 0 H THR A 16 -0.563 -8.593 -10.811 1.00 1.02 H new ATOM 0 HA THR A 16 0.819 -11.036 -11.785 1.00 1.17 H new ATOM 0 HB THR A 16 -0.428 -10.335 -13.918 1.00 1.55 H new ATOM 0 HG1 THR A 16 -2.390 -9.167 -13.438 1.00 1.68 H new ATOM 0 HG21 THR A 16 -2.462 -11.553 -13.248 1.00 2.32 H new ATOM 0 HG22 THR A 16 -0.992 -12.347 -12.635 1.00 2.32 H new ATOM 0 HG23 THR A 16 -2.004 -11.378 -11.537 1.00 2.32 H new ATOM 247 N CYS A 17 1.022 -7.960 -13.048 1.00 0.79 N ATOM 248 CA CYS A 17 1.919 -6.998 -13.676 1.00 1.19 C ATOM 249 C CYS A 17 2.311 -5.884 -12.702 1.00 1.27 C ATOM 250 O CYS A 17 1.536 -5.478 -11.831 1.00 2.19 O ATOM 251 CB CYS A 17 1.320 -6.468 -14.989 1.00 1.49 C ATOM 252 SG CYS A 17 0.101 -5.150 -14.736 1.00 1.66 S ATOM 0 H CYS A 17 0.048 -7.658 -13.021 1.00 0.79 H new ATOM 0 HA CYS A 17 2.845 -7.508 -13.940 1.00 1.19 H new ATOM 0 HB2 CYS A 17 2.124 -6.094 -15.623 1.00 1.49 H new ATOM 0 HB3 CYS A 17 0.849 -7.292 -15.525 1.00 1.49 H new ATOM 257 N ALA A 18 3.529 -5.362 -12.858 1.00 1.14 N ATOM 258 CA ALA A 18 4.046 -4.272 -12.043 1.00 1.15 C ATOM 259 C ALA A 18 3.460 -2.931 -12.505 1.00 0.97 C ATOM 260 O ALA A 18 4.204 -1.995 -12.788 1.00 1.75 O ATOM 261 CB ALA A 18 5.577 -4.285 -12.115 1.00 1.64 C ATOM 0 H ALA A 18 4.188 -5.691 -13.563 1.00 1.14 H new ATOM 0 HA ALA A 18 3.746 -4.406 -11.004 1.00 1.15 H new ATOM 0 HB1 ALA A 18 5.977 -3.473 -11.508 1.00 1.64 H new ATOM 0 HB2 ALA A 18 5.951 -5.237 -11.738 1.00 1.64 H new ATOM 0 HB3 ALA A 18 5.894 -4.155 -13.150 1.00 1.64 H new ATOM 267 N ALA A 19 2.128 -2.835 -12.586 1.00 0.66 N ATOM 268 CA ALA A 19 1.429 -1.627 -13.010 1.00 0.51 C ATOM 269 C ALA A 19 0.141 -1.443 -12.215 1.00 0.38 C ATOM 270 O ALA A 19 -0.071 -0.376 -11.639 1.00 0.43 O ATOM 271 CB ALA A 19 1.171 -1.643 -14.519 1.00 0.66 C ATOM 0 H ALA A 19 1.502 -3.606 -12.355 1.00 0.66 H new ATOM 0 HA ALA A 19 2.068 -0.768 -12.802 1.00 0.51 H new ATOM 0 HB1 ALA A 19 0.649 -0.731 -14.809 1.00 0.66 H new ATOM 0 HB2 ALA A 19 2.121 -1.701 -15.050 1.00 0.66 H new ATOM 0 HB3 ALA A 19 0.559 -2.508 -14.774 1.00 0.66 H new ATOM 277 N CYS A 20 -0.714 -2.466 -12.132 1.00 0.37 N ATOM 278 CA CYS A 20 -1.862 -2.410 -11.228 1.00 0.38 C ATOM 279 C CYS A 20 -1.394 -2.137 -9.799 1.00 0.34 C ATOM 280 O CYS A 20 -2.022 -1.380 -9.064 1.00 0.39 O ATOM 281 CB CYS A 20 -2.673 -3.708 -11.289 1.00 0.50 C ATOM 282 SG CYS A 20 -3.139 -4.095 -12.995 1.00 1.20 S ATOM 0 H CYS A 20 -0.635 -3.329 -12.671 1.00 0.37 H new ATOM 0 HA CYS A 20 -2.510 -1.594 -11.548 1.00 0.38 H new ATOM 0 HB2 CYS A 20 -2.088 -4.528 -10.872 1.00 0.50 H new ATOM 0 HB3 CYS A 20 -3.569 -3.612 -10.675 1.00 0.50 H new ATOM 287 N ALA A 21 -0.239 -2.709 -9.450 1.00 0.32 N ATOM 288 CA ALA A 21 0.474 -2.466 -8.207 1.00 0.33 C ATOM 289 C ALA A 21 0.613 -0.969 -7.895 1.00 0.29 C ATOM 290 O ALA A 21 0.596 -0.572 -6.732 1.00 0.31 O ATOM 291 CB ALA A 21 1.834 -3.165 -8.280 1.00 0.48 C ATOM 0 H ALA A 21 0.238 -3.379 -10.053 1.00 0.32 H new ATOM 0 HA ALA A 21 -0.103 -2.881 -7.380 1.00 0.33 H new ATOM 0 HB1 ALA A 21 2.382 -2.992 -7.354 1.00 0.48 H new ATOM 0 HB2 ALA A 21 1.686 -4.236 -8.419 1.00 0.48 H new ATOM 0 HB3 ALA A 21 2.404 -2.765 -9.119 1.00 0.48 H new ATOM 297 N ALA A 22 0.745 -0.122 -8.921 1.00 0.29 N ATOM 298 CA ALA A 22 0.724 1.320 -8.739 1.00 0.30 C ATOM 299 C ALA A 22 -0.690 1.786 -8.394 1.00 0.33 C ATOM 300 O ALA A 22 -0.889 2.501 -7.413 1.00 0.30 O ATOM 301 CB ALA A 22 1.227 2.015 -10.006 1.00 0.35 C ATOM 0 H ALA A 22 0.868 -0.420 -9.889 1.00 0.29 H new ATOM 0 HA ALA A 22 1.385 1.584 -7.913 1.00 0.30 H new ATOM 0 HB1 ALA A 22 1.208 3.095 -9.861 1.00 0.35 H new ATOM 0 HB2 ALA A 22 2.248 1.695 -10.216 1.00 0.35 H new ATOM 0 HB3 ALA A 22 0.584 1.751 -10.846 1.00 0.35 H new ATOM 307 N ARG A 23 -1.675 1.415 -9.219 1.00 0.43 N ATOM 308 CA ARG A 23 -3.046 1.879 -9.057 1.00 0.50 C ATOM 309 C ARG A 23 -3.549 1.557 -7.658 1.00 0.45 C ATOM 310 O ARG A 23 -4.065 2.443 -6.980 1.00 0.41 O ATOM 311 CB ARG A 23 -3.996 1.278 -10.106 1.00 0.67 C ATOM 312 CG ARG A 23 -4.001 2.060 -11.425 1.00 0.98 C ATOM 313 CD ARG A 23 -2.824 1.701 -12.333 1.00 1.93 C ATOM 314 NE ARG A 23 -2.809 2.579 -13.514 1.00 3.27 N ATOM 315 CZ ARG A 23 -2.259 2.290 -14.704 1.00 4.50 C ATOM 316 NH1 ARG A 23 -1.670 1.107 -14.903 1.00 5.00 N ATOM 317 NH2 ARG A 23 -2.306 3.195 -15.690 1.00 5.86 N ATOM 0 H ARG A 23 -1.540 0.788 -10.012 1.00 0.43 H new ATOM 0 HA ARG A 23 -3.038 2.959 -9.205 1.00 0.50 H new ATOM 0 HB2 ARG A 23 -3.706 0.246 -10.303 1.00 0.67 H new ATOM 0 HB3 ARG A 23 -5.008 1.253 -9.701 1.00 0.67 H new ATOM 0 HG2 ARG A 23 -4.934 1.865 -11.954 1.00 0.98 H new ATOM 0 HG3 ARG A 23 -3.974 3.128 -11.209 1.00 0.98 H new ATOM 0 HD2 ARG A 23 -1.888 1.801 -11.784 1.00 1.93 H new ATOM 0 HD3 ARG A 23 -2.900 0.660 -12.646 1.00 1.93 H new ATOM 0 HE ARG A 23 -3.257 3.490 -13.420 1.00 3.27 H new ATOM 0 HH11 ARG A 23 -1.637 0.420 -14.149 1.00 5.00 H new ATOM 0 HH12 ARG A 23 -1.253 0.891 -15.808 1.00 5.00 H new ATOM 0 HH21 ARG A 23 -2.757 4.096 -15.534 1.00 5.86 H new ATOM 0 HH22 ARG A 23 -1.890 2.983 -16.597 1.00 5.86 H new ATOM 331 N ILE A 24 -3.387 0.307 -7.224 1.00 0.57 N ATOM 332 CA ILE A 24 -3.786 -0.090 -5.883 1.00 0.63 C ATOM 333 C ILE A 24 -3.168 0.834 -4.831 1.00 0.54 C ATOM 334 O ILE A 24 -3.888 1.425 -4.033 1.00 0.49 O ATOM 335 CB ILE A 24 -3.628 -1.596 -5.631 1.00 0.86 C ATOM 336 CG1 ILE A 24 -2.184 -2.059 -5.815 1.00 1.26 C ATOM 337 CG2 ILE A 24 -4.517 -2.349 -6.636 1.00 1.06 C ATOM 338 CD1 ILE A 24 -1.369 -2.265 -4.535 1.00 0.96 C ATOM 0 H ILE A 24 -2.983 -0.443 -7.784 1.00 0.57 H new ATOM 0 HA ILE A 24 -4.862 0.054 -5.786 1.00 0.63 H new ATOM 0 HB ILE A 24 -3.919 -1.803 -4.601 1.00 0.86 H new ATOM 0 HG12 ILE A 24 -2.194 -2.998 -6.369 1.00 1.26 H new ATOM 0 HG13 ILE A 24 -1.667 -1.328 -6.436 1.00 1.26 H new ATOM 0 HG21 ILE A 24 -4.420 -3.423 -6.475 1.00 1.06 H new ATOM 0 HG22 ILE A 24 -5.557 -2.053 -6.495 1.00 1.06 H new ATOM 0 HG23 ILE A 24 -4.205 -2.105 -7.652 1.00 1.06 H new ATOM 0 HD11 ILE A 24 -0.362 -2.593 -4.794 1.00 0.96 H new ATOM 0 HD12 ILE A 24 -1.314 -1.326 -3.983 1.00 0.96 H new ATOM 0 HD13 ILE A 24 -1.850 -3.022 -3.916 1.00 0.96 H new ATOM 350 N GLU A 25 -1.857 1.059 -4.887 1.00 0.55 N ATOM 351 CA GLU A 25 -1.194 1.984 -3.982 1.00 0.53 C ATOM 352 C GLU A 25 -1.727 3.420 -4.056 1.00 0.38 C ATOM 353 O GLU A 25 -1.851 4.101 -3.041 1.00 0.40 O ATOM 354 CB GLU A 25 0.331 1.882 -4.165 1.00 0.57 C ATOM 355 CG GLU A 25 1.115 1.934 -2.847 1.00 0.55 C ATOM 356 CD GLU A 25 0.622 0.993 -1.755 1.00 1.31 C ATOM 357 OE1 GLU A 25 0.089 -0.078 -2.113 1.00 2.07 O ATOM 358 OE2 GLU A 25 0.783 1.377 -0.577 1.00 2.76 O ATOM 0 H GLU A 25 -1.233 0.608 -5.556 1.00 0.55 H new ATOM 0 HA GLU A 25 -1.436 1.682 -2.963 1.00 0.53 H new ATOM 0 HB2 GLU A 25 0.565 0.950 -4.680 1.00 0.57 H new ATOM 0 HB3 GLU A 25 0.666 2.695 -4.809 1.00 0.57 H new ATOM 0 HG2 GLU A 25 2.160 1.704 -3.056 1.00 0.55 H new ATOM 0 HG3 GLU A 25 1.083 2.954 -2.465 1.00 0.55 H new ATOM 365 N LYS A 26 -2.041 3.914 -5.251 1.00 0.29 N ATOM 366 CA LYS A 26 -2.524 5.280 -5.429 1.00 0.26 C ATOM 367 C LYS A 26 -3.972 5.443 -4.953 1.00 0.28 C ATOM 368 O LYS A 26 -4.319 6.465 -4.361 1.00 0.38 O ATOM 369 CB LYS A 26 -2.275 5.758 -6.865 1.00 0.30 C ATOM 370 CG LYS A 26 -0.776 5.772 -7.227 1.00 0.52 C ATOM 371 CD LYS A 26 0.047 6.824 -6.459 1.00 1.36 C ATOM 372 CE LYS A 26 1.544 6.703 -6.788 1.00 1.10 C ATOM 373 NZ LYS A 26 2.386 7.538 -5.899 1.00 2.49 N ATOM 0 H LYS A 26 -1.968 3.382 -6.118 1.00 0.29 H new ATOM 0 HA LYS A 26 -1.946 5.943 -4.784 1.00 0.26 H new ATOM 0 HB2 LYS A 26 -2.808 5.108 -7.559 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -2.685 6.760 -6.988 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -0.357 4.785 -7.032 1.00 0.52 H new ATOM 0 HG3 LYS A 26 -0.673 5.956 -8.296 1.00 0.52 H new ATOM 0 HD2 LYS A 26 -0.305 7.823 -6.715 1.00 1.36 H new ATOM 0 HD3 LYS A 26 -0.104 6.697 -5.387 1.00 1.36 H new ATOM 0 HE2 LYS A 26 1.850 5.660 -6.700 1.00 1.10 H new ATOM 0 HE3 LYS A 26 1.711 6.998 -7.824 1.00 1.10 H new ATOM 0 HZ1 LYS A 26 3.263 7.796 -6.394 1.00 2.49 H new ATOM 0 HZ2 LYS A 26 1.867 8.401 -5.640 1.00 2.49 H new ATOM 0 HZ3 LYS A 26 2.619 7.003 -5.038 1.00 2.49 H new ATOM 387 N GLY A 27 -4.825 4.445 -5.184 1.00 0.28 N ATOM 388 CA GLY A 27 -6.160 4.421 -4.602 1.00 0.33 C ATOM 389 C GLY A 27 -6.062 4.280 -3.086 1.00 0.37 C ATOM 390 O GLY A 27 -6.772 4.958 -2.348 1.00 0.48 O ATOM 0 H GLY A 27 -4.610 3.641 -5.773 1.00 0.28 H new ATOM 0 HA2 GLY A 27 -6.694 5.336 -4.857 1.00 0.33 H new ATOM 0 HA3 GLY A 27 -6.732 3.591 -5.017 1.00 0.33 H new ATOM 394 N LEU A 28 -5.151 3.428 -2.616 1.00 0.45 N ATOM 395 CA LEU A 28 -4.861 3.284 -1.196 1.00 0.49 C ATOM 396 C LEU A 28 -4.537 4.657 -0.618 1.00 0.51 C ATOM 397 O LEU A 28 -5.158 5.083 0.352 1.00 0.60 O ATOM 398 CB LEU A 28 -3.760 2.238 -1.029 1.00 0.52 C ATOM 399 CG LEU A 28 -3.376 1.908 0.416 1.00 0.44 C ATOM 400 CD1 LEU A 28 -2.672 0.554 0.386 1.00 1.84 C ATOM 401 CD2 LEU A 28 -2.448 2.976 1.003 1.00 1.66 C ATOM 0 H LEU A 28 -4.594 2.818 -3.214 1.00 0.45 H new ATOM 0 HA LEU A 28 -5.717 2.917 -0.629 1.00 0.49 H new ATOM 0 HB2 LEU A 28 -4.079 1.319 -1.520 1.00 0.52 H new ATOM 0 HB3 LEU A 28 -2.870 2.587 -1.552 1.00 0.52 H new ATOM 0 HG LEU A 28 -4.264 1.880 1.047 1.00 0.44 H new ATOM 0 HD11 LEU A 28 -2.378 0.274 1.398 1.00 1.84 H new ATOM 0 HD12 LEU A 28 -3.349 -0.199 -0.016 1.00 1.84 H new ATOM 0 HD13 LEU A 28 -1.785 0.619 -0.245 1.00 1.84 H new ATOM 0 HD21 LEU A 28 -2.194 2.713 2.030 1.00 1.66 H new ATOM 0 HD22 LEU A 28 -1.537 3.034 0.407 1.00 1.66 H new ATOM 0 HD23 LEU A 28 -2.952 3.942 0.991 1.00 1.66 H new ATOM 413 N LYS A 29 -3.626 5.387 -1.264 1.00 0.47 N ATOM 414 CA LYS A 29 -3.210 6.729 -0.880 1.00 0.51 C ATOM 415 C LYS A 29 -4.371 7.704 -0.653 1.00 0.47 C ATOM 416 O LYS A 29 -4.164 8.754 -0.046 1.00 0.63 O ATOM 417 CB LYS A 29 -2.273 7.293 -1.959 1.00 0.58 C ATOM 418 CG LYS A 29 -1.287 8.336 -1.423 1.00 0.88 C ATOM 419 CD LYS A 29 -1.254 9.610 -2.279 1.00 0.80 C ATOM 420 CE LYS A 29 -2.453 10.528 -2.038 1.00 2.01 C ATOM 421 NZ LYS A 29 -2.663 10.860 -0.609 1.00 3.38 N ATOM 0 H LYS A 29 -3.144 5.045 -2.096 1.00 0.47 H new ATOM 0 HA LYS A 29 -2.702 6.633 0.080 1.00 0.51 H new ATOM 0 HB2 LYS A 29 -1.714 6.473 -2.409 1.00 0.58 H new ATOM 0 HB3 LYS A 29 -2.872 7.743 -2.751 1.00 0.58 H new ATOM 0 HG2 LYS A 29 -1.559 8.597 -0.400 1.00 0.88 H new ATOM 0 HG3 LYS A 29 -0.288 7.901 -1.386 1.00 0.88 H new ATOM 0 HD2 LYS A 29 -0.336 10.159 -2.067 1.00 0.80 H new ATOM 0 HD3 LYS A 29 -1.223 9.332 -3.332 1.00 0.80 H new ATOM 0 HE2 LYS A 29 -2.313 11.451 -2.601 1.00 2.01 H new ATOM 0 HE3 LYS A 29 -3.351 10.050 -2.428 1.00 2.01 H new ATOM 0 HZ1 LYS A 29 -3.032 11.829 -0.528 1.00 3.38 H new ATOM 0 HZ2 LYS A 29 -3.346 10.194 -0.195 1.00 3.38 H new ATOM 0 HZ3 LYS A 29 -1.759 10.790 -0.100 1.00 3.38 H new ATOM 435 N ARG A 30 -5.564 7.423 -1.186 1.00 0.43 N ATOM 436 CA ARG A 30 -6.724 8.289 -1.047 1.00 0.44 C ATOM 437 C ARG A 30 -7.419 8.129 0.316 1.00 0.44 C ATOM 438 O ARG A 30 -8.304 8.921 0.628 1.00 0.54 O ATOM 439 CB ARG A 30 -7.673 8.057 -2.240 1.00 0.45 C ATOM 440 CG ARG A 30 -7.723 9.285 -3.154 1.00 0.70 C ATOM 441 CD ARG A 30 -8.548 8.991 -4.420 1.00 1.68 C ATOM 442 NE ARG A 30 -7.757 9.168 -5.650 1.00 2.74 N ATOM 443 CZ ARG A 30 -7.421 10.351 -6.193 1.00 3.24 C ATOM 444 NH1 ARG A 30 -7.777 11.484 -5.579 1.00 3.51 N ATOM 445 NH2 ARG A 30 -6.732 10.394 -7.338 1.00 4.34 N ATOM 0 H ARG A 30 -5.746 6.579 -1.729 1.00 0.43 H new ATOM 0 HA ARG A 30 -6.395 9.328 -1.067 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -7.340 7.189 -2.810 1.00 0.45 H new ATOM 0 HB3 ARG A 30 -8.675 7.832 -1.873 1.00 0.45 H new ATOM 0 HG2 ARG A 30 -8.161 10.126 -2.617 1.00 0.70 H new ATOM 0 HG3 ARG A 30 -6.711 9.577 -3.434 1.00 0.70 H new ATOM 0 HD2 ARG A 30 -8.926 7.970 -4.377 1.00 1.68 H new ATOM 0 HD3 ARG A 30 -9.415 9.651 -4.449 1.00 1.68 H new ATOM 0 HE ARG A 30 -7.439 8.325 -6.128 1.00 2.74 H new ATOM 0 HH11 ARG A 30 -8.300 11.447 -4.704 1.00 3.51 H new ATOM 0 HH12 ARG A 30 -7.525 12.385 -5.985 1.00 3.51 H new ATOM 0 HH21 ARG A 30 -6.460 9.528 -7.802 1.00 4.34 H new ATOM 0 HH22 ARG A 30 -6.479 11.293 -7.747 1.00 4.34 H new ATOM 459 N MET A 31 -7.048 7.133 1.131 1.00 0.43 N ATOM 460 CA MET A 31 -7.634 6.972 2.462 1.00 0.42 C ATOM 461 C MET A 31 -7.202 8.101 3.406 1.00 0.36 C ATOM 462 O MET A 31 -6.110 8.647 3.238 1.00 0.35 O ATOM 463 CB MET A 31 -7.246 5.603 3.042 1.00 0.52 C ATOM 464 CG MET A 31 -5.778 5.512 3.482 1.00 2.16 C ATOM 465 SD MET A 31 -5.244 3.915 4.138 1.00 3.83 S ATOM 466 CE MET A 31 -6.044 2.801 2.992 1.00 3.58 C ATOM 0 H MET A 31 -6.348 6.431 0.891 1.00 0.43 H new ATOM 0 HA MET A 31 -8.718 7.024 2.365 1.00 0.42 H new ATOM 0 HB2 MET A 31 -7.886 5.386 3.897 1.00 0.52 H new ATOM 0 HB3 MET A 31 -7.440 4.834 2.295 1.00 0.52 H new ATOM 0 HG2 MET A 31 -5.148 5.761 2.628 1.00 2.16 H new ATOM 0 HG3 MET A 31 -5.600 6.273 4.242 1.00 2.16 H new ATOM 0 HE1 MET A 31 -5.508 1.852 2.973 1.00 3.58 H new ATOM 0 HE2 MET A 31 -7.073 2.630 3.309 1.00 3.58 H new ATOM 0 HE3 MET A 31 -6.040 3.240 1.995 1.00 3.58 H new ATOM 476 N PRO A 32 -7.996 8.415 4.445 1.00 0.42 N ATOM 477 CA PRO A 32 -7.525 9.251 5.536 1.00 0.41 C ATOM 478 C PRO A 32 -6.295 8.601 6.181 1.00 0.41 C ATOM 479 O PRO A 32 -6.261 7.385 6.367 1.00 0.54 O ATOM 480 CB PRO A 32 -8.701 9.353 6.514 1.00 0.52 C ATOM 481 CG PRO A 32 -9.499 8.075 6.250 1.00 0.58 C ATOM 482 CD PRO A 32 -9.310 7.865 4.749 1.00 0.55 C ATOM 0 HA PRO A 32 -7.217 10.244 5.208 1.00 0.41 H new ATOM 0 HB2 PRO A 32 -8.359 9.406 7.548 1.00 0.52 H new ATOM 0 HB3 PRO A 32 -9.300 10.245 6.330 1.00 0.52 H new ATOM 0 HG2 PRO A 32 -9.118 7.233 6.828 1.00 0.58 H new ATOM 0 HG3 PRO A 32 -10.550 8.192 6.513 1.00 0.58 H new ATOM 0 HD2 PRO A 32 -9.363 6.807 4.490 1.00 0.55 H new ATOM 0 HD3 PRO A 32 -10.089 8.372 4.180 1.00 0.55 H new ATOM 490 N GLY A 33 -5.272 9.401 6.494 1.00 0.45 N ATOM 491 CA GLY A 33 -4.084 8.940 7.198 1.00 0.48 C ATOM 492 C GLY A 33 -2.890 8.697 6.274 1.00 0.43 C ATOM 493 O GLY A 33 -1.754 8.951 6.678 1.00 0.51 O ATOM 0 H GLY A 33 -5.250 10.394 6.262 1.00 0.45 H new ATOM 0 HA2 GLY A 33 -3.807 9.678 7.951 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -4.319 8.017 7.727 1.00 0.48 H new ATOM 497 N VAL A 34 -3.114 8.212 5.045 1.00 0.43 N ATOM 498 CA VAL A 34 -2.019 7.999 4.104 1.00 0.38 C ATOM 499 C VAL A 34 -1.788 9.268 3.289 1.00 0.40 C ATOM 500 O VAL A 34 -2.581 9.622 2.415 1.00 0.86 O ATOM 501 CB VAL A 34 -2.256 6.769 3.220 1.00 0.46 C ATOM 502 CG1 VAL A 34 -1.058 6.557 2.286 1.00 0.37 C ATOM 503 CG2 VAL A 34 -2.403 5.512 4.085 1.00 0.66 C ATOM 0 H VAL A 34 -4.036 7.963 4.687 1.00 0.43 H new ATOM 0 HA VAL A 34 -1.110 7.787 4.666 1.00 0.38 H new ATOM 0 HB VAL A 34 -3.166 6.938 2.644 1.00 0.46 H new ATOM 0 HG11 VAL A 34 -1.234 5.681 1.661 1.00 0.37 H new ATOM 0 HG12 VAL A 34 -0.931 7.435 1.653 1.00 0.37 H new ATOM 0 HG13 VAL A 34 -0.157 6.404 2.879 1.00 0.37 H new ATOM 0 HG21 VAL A 34 -2.571 4.647 3.444 1.00 0.66 H new ATOM 0 HG22 VAL A 34 -1.493 5.362 4.666 1.00 0.66 H new ATOM 0 HG23 VAL A 34 -3.250 5.632 4.761 1.00 0.66 H new ATOM 513 N THR A 35 -0.659 9.932 3.536 1.00 0.37 N ATOM 514 CA THR A 35 -0.335 11.166 2.845 1.00 0.39 C ATOM 515 C THR A 35 0.255 10.820 1.486 1.00 0.40 C ATOM 516 O THR A 35 -0.253 11.330 0.485 1.00 0.58 O ATOM 517 CB THR A 35 0.552 12.061 3.723 1.00 0.41 C ATOM 518 OG1 THR A 35 -0.253 13.073 4.290 1.00 0.90 O ATOM 519 CG2 THR A 35 1.726 12.719 2.998 1.00 0.68 C ATOM 0 H THR A 35 0.043 9.630 4.211 1.00 0.37 H new ATOM 0 HA THR A 35 -1.228 11.762 2.659 1.00 0.39 H new ATOM 0 HB THR A 35 0.994 11.404 4.473 1.00 0.41 H new ATOM 0 HG1 THR A 35 0.154 13.386 5.125 1.00 0.90 H new ATOM 0 HG21 THR A 35 2.292 13.330 3.701 1.00 0.68 H new ATOM 0 HG22 THR A 35 2.375 11.948 2.583 1.00 0.68 H new ATOM 0 HG23 THR A 35 1.349 13.349 2.192 1.00 0.68 H new ATOM 527 N ASP A 36 1.242 9.917 1.417 1.00 0.35 N ATOM 528 CA ASP A 36 1.750 9.449 0.143 1.00 0.39 C ATOM 529 C ASP A 36 1.978 7.954 0.136 1.00 0.32 C ATOM 530 O ASP A 36 1.982 7.312 1.183 1.00 0.27 O ATOM 531 CB ASP A 36 2.974 10.227 -0.351 1.00 0.49 C ATOM 532 CG ASP A 36 2.771 10.586 -1.817 1.00 0.87 C ATOM 533 OD1 ASP A 36 2.404 9.653 -2.574 1.00 2.16 O ATOM 534 OD2 ASP A 36 2.929 11.779 -2.146 1.00 1.47 O ATOM 0 H ASP A 36 1.696 9.504 2.231 1.00 0.35 H new ATOM 0 HA ASP A 36 0.963 9.656 -0.582 1.00 0.39 H new ATOM 0 HB2 ASP A 36 3.111 11.131 0.243 1.00 0.49 H new ATOM 0 HB3 ASP A 36 3.876 9.627 -0.231 1.00 0.49 H new ATOM 539 N ALA A 37 2.103 7.396 -1.063 1.00 0.38 N ATOM 540 CA ALA A 37 2.327 5.964 -1.220 1.00 0.34 C ATOM 541 C ALA A 37 2.980 5.629 -2.557 1.00 0.40 C ATOM 542 O ALA A 37 2.761 6.327 -3.552 1.00 0.50 O ATOM 543 CB ALA A 37 1.021 5.200 -0.989 1.00 0.47 C ATOM 0 H ALA A 37 2.053 7.914 -1.940 1.00 0.38 H new ATOM 0 HA ALA A 37 3.038 5.640 -0.460 1.00 0.34 H new ATOM 0 HB1 ALA A 37 1.199 4.131 -1.109 1.00 0.47 H new ATOM 0 HB2 ALA A 37 0.658 5.397 0.020 1.00 0.47 H new ATOM 0 HB3 ALA A 37 0.275 5.527 -1.713 1.00 0.47 H new ATOM 549 N ASN A 38 3.821 4.588 -2.582 1.00 0.36 N ATOM 550 CA ASN A 38 4.763 4.354 -3.666 1.00 0.43 C ATOM 551 C ASN A 38 5.071 2.865 -3.652 1.00 0.38 C ATOM 552 O ASN A 38 5.681 2.371 -2.705 1.00 0.40 O ATOM 553 CB ASN A 38 6.088 5.131 -3.483 1.00 0.47 C ATOM 554 CG ASN A 38 6.254 5.869 -2.155 1.00 0.36 C ATOM 555 OD1 ASN A 38 6.462 7.076 -2.129 1.00 0.45 O ATOM 556 ND2 ASN A 38 6.174 5.151 -1.038 1.00 0.33 N ATOM 0 H ASN A 38 3.862 3.885 -1.844 1.00 0.36 H new ATOM 0 HA ASN A 38 4.321 4.693 -4.603 1.00 0.43 H new ATOM 0 HB2 ASN A 38 6.915 4.430 -3.592 1.00 0.47 H new ATOM 0 HB3 ASN A 38 6.176 5.856 -4.292 1.00 0.47 H new ATOM 0 HD21 ASN A 38 6.287 5.604 -0.131 1.00 0.33 H new ATOM 0 HD22 ASN A 38 6.000 4.147 -1.088 1.00 0.33 H new ATOM 563 N VAL A 39 4.688 2.148 -4.706 1.00 0.36 N ATOM 564 CA VAL A 39 5.025 0.747 -4.817 1.00 0.29 C ATOM 565 C VAL A 39 6.460 0.648 -5.342 1.00 0.35 C ATOM 566 O VAL A 39 6.804 1.314 -6.317 1.00 0.75 O ATOM 567 CB VAL A 39 3.979 0.034 -5.688 1.00 0.30 C ATOM 568 CG1 VAL A 39 4.178 0.234 -7.196 1.00 0.57 C ATOM 569 CG2 VAL A 39 3.996 -1.450 -5.335 1.00 0.54 C ATOM 0 H VAL A 39 4.147 2.519 -5.487 1.00 0.36 H new ATOM 0 HA VAL A 39 4.998 0.237 -3.854 1.00 0.29 H new ATOM 0 HB VAL A 39 3.009 0.481 -5.470 1.00 0.30 H new ATOM 0 HG11 VAL A 39 3.399 -0.301 -7.740 1.00 0.57 H new ATOM 0 HG12 VAL A 39 4.122 1.296 -7.433 1.00 0.57 H new ATOM 0 HG13 VAL A 39 5.155 -0.151 -7.488 1.00 0.57 H new ATOM 0 HG21 VAL A 39 3.260 -1.977 -5.942 1.00 0.54 H new ATOM 0 HG22 VAL A 39 4.987 -1.859 -5.530 1.00 0.54 H new ATOM 0 HG23 VAL A 39 3.753 -1.576 -4.280 1.00 0.54 H new ATOM 579 N ASN A 40 7.308 -0.156 -4.695 1.00 0.29 N ATOM 580 CA ASN A 40 8.692 -0.373 -5.099 1.00 0.29 C ATOM 581 C ASN A 40 8.787 -1.801 -5.637 1.00 0.27 C ATOM 582 O ASN A 40 9.576 -2.639 -5.187 1.00 0.26 O ATOM 583 CB ASN A 40 9.604 -0.118 -3.893 1.00 0.33 C ATOM 584 CG ASN A 40 11.081 -0.149 -4.271 1.00 0.39 C ATOM 585 OD1 ASN A 40 11.437 -0.272 -5.439 1.00 0.53 O ATOM 586 ND2 ASN A 40 11.958 -0.016 -3.281 1.00 0.60 N ATOM 0 H ASN A 40 7.043 -0.682 -3.862 1.00 0.29 H new ATOM 0 HA ASN A 40 9.015 0.310 -5.885 1.00 0.29 H new ATOM 0 HB2 ASN A 40 9.363 0.851 -3.456 1.00 0.33 H new ATOM 0 HB3 ASN A 40 9.411 -0.870 -3.128 1.00 0.33 H new ATOM 0 HD21 ASN A 40 12.958 -0.014 -3.482 1.00 0.60 H new ATOM 0 HD22 ASN A 40 11.631 0.084 -2.320 1.00 0.60 H new ATOM 593 N LEU A 41 7.937 -2.068 -6.630 1.00 0.31 N ATOM 594 CA LEU A 41 7.745 -3.399 -7.187 1.00 0.38 C ATOM 595 C LEU A 41 8.980 -3.807 -7.999 1.00 0.43 C ATOM 596 O LEU A 41 9.236 -4.992 -8.190 1.00 0.51 O ATOM 597 CB LEU A 41 6.420 -3.446 -7.977 1.00 0.50 C ATOM 598 CG LEU A 41 5.523 -4.677 -7.727 1.00 0.46 C ATOM 599 CD1 LEU A 41 6.128 -5.957 -8.311 1.00 0.77 C ATOM 600 CD2 LEU A 41 5.173 -4.910 -6.252 1.00 1.01 C ATOM 0 H LEU A 41 7.358 -1.354 -7.072 1.00 0.31 H new ATOM 0 HA LEU A 41 7.650 -4.142 -6.395 1.00 0.38 H new ATOM 0 HB2 LEU A 41 5.847 -2.550 -7.739 1.00 0.50 H new ATOM 0 HB3 LEU A 41 6.653 -3.402 -9.041 1.00 0.50 H new ATOM 0 HG LEU A 41 4.594 -4.441 -8.246 1.00 0.46 H new ATOM 0 HD11 LEU A 41 5.463 -6.798 -8.112 1.00 0.77 H new ATOM 0 HD12 LEU A 41 6.254 -5.842 -9.388 1.00 0.77 H new ATOM 0 HD13 LEU A 41 7.098 -6.144 -7.850 1.00 0.77 H new ATOM 0 HD21 LEU A 41 4.541 -5.793 -6.163 1.00 1.01 H new ATOM 0 HD22 LEU A 41 6.089 -5.060 -5.680 1.00 1.01 H new ATOM 0 HD23 LEU A 41 4.641 -4.042 -5.863 1.00 1.01 H new ATOM 612 N ALA A 42 9.807 -2.827 -8.386 1.00 0.42 N ATOM 613 CA ALA A 42 11.167 -3.046 -8.861 1.00 0.47 C ATOM 614 C ALA A 42 11.920 -4.072 -8.010 1.00 0.50 C ATOM 615 O ALA A 42 12.696 -4.853 -8.552 1.00 0.61 O ATOM 616 CB ALA A 42 11.939 -1.727 -8.837 1.00 0.47 C ATOM 0 H ALA A 42 9.538 -1.843 -8.375 1.00 0.42 H new ATOM 0 HA ALA A 42 11.095 -3.434 -9.877 1.00 0.47 H new ATOM 0 HB1 ALA A 42 12.956 -1.894 -9.193 1.00 0.47 H new ATOM 0 HB2 ALA A 42 11.443 -1.003 -9.483 1.00 0.47 H new ATOM 0 HB3 ALA A 42 11.970 -1.342 -7.818 1.00 0.47 H new ATOM 622 N THR A 43 11.704 -4.058 -6.687 1.00 0.45 N ATOM 623 CA THR A 43 12.248 -5.069 -5.789 1.00 0.56 C ATOM 624 C THR A 43 11.114 -5.723 -4.989 1.00 0.70 C ATOM 625 O THR A 43 11.278 -6.009 -3.803 1.00 1.30 O ATOM 626 CB THR A 43 13.369 -4.461 -4.923 1.00 0.56 C ATOM 627 OG1 THR A 43 13.908 -5.427 -4.045 1.00 0.79 O ATOM 628 CG2 THR A 43 12.913 -3.252 -4.104 1.00 0.57 C ATOM 0 H THR A 43 11.148 -3.344 -6.217 1.00 0.45 H new ATOM 0 HA THR A 43 12.716 -5.873 -6.357 1.00 0.56 H new ATOM 0 HB THR A 43 14.129 -4.121 -5.626 1.00 0.56 H new ATOM 0 HG1 THR A 43 13.183 -5.970 -3.671 1.00 0.79 H new ATOM 0 HG21 THR A 43 13.750 -2.873 -3.518 1.00 0.57 H new ATOM 0 HG22 THR A 43 12.557 -2.471 -4.776 1.00 0.57 H new ATOM 0 HG23 THR A 43 12.106 -3.550 -3.434 1.00 0.57 H new ATOM 636 N GLU A 44 9.966 -5.952 -5.635 1.00 0.44 N ATOM 637 CA GLU A 44 8.808 -6.662 -5.099 1.00 0.47 C ATOM 638 C GLU A 44 8.365 -6.153 -3.718 1.00 0.51 C ATOM 639 O GLU A 44 7.836 -6.913 -2.905 1.00 0.79 O ATOM 640 CB GLU A 44 9.092 -8.170 -5.111 1.00 0.50 C ATOM 641 CG GLU A 44 9.197 -8.689 -6.552 1.00 0.66 C ATOM 642 CD GLU A 44 9.407 -10.197 -6.579 1.00 1.50 C ATOM 643 OE1 GLU A 44 8.524 -10.895 -6.037 1.00 2.61 O ATOM 644 OE2 GLU A 44 10.445 -10.619 -7.131 1.00 2.50 O ATOM 0 H GLU A 44 9.815 -5.631 -6.591 1.00 0.44 H new ATOM 0 HA GLU A 44 7.955 -6.458 -5.746 1.00 0.47 H new ATOM 0 HB2 GLU A 44 10.020 -8.375 -4.576 1.00 0.50 H new ATOM 0 HB3 GLU A 44 8.297 -8.699 -4.585 1.00 0.50 H new ATOM 0 HG2 GLU A 44 8.289 -8.435 -7.100 1.00 0.66 H new ATOM 0 HG3 GLU A 44 10.025 -8.195 -7.060 1.00 0.66 H new ATOM 651 N THR A 45 8.550 -4.858 -3.447 1.00 0.30 N ATOM 652 CA THR A 45 8.240 -4.251 -2.168 1.00 0.28 C ATOM 653 C THR A 45 7.220 -3.133 -2.402 1.00 0.25 C ATOM 654 O THR A 45 7.116 -2.610 -3.508 1.00 0.28 O ATOM 655 CB THR A 45 9.567 -3.757 -1.576 1.00 0.33 C ATOM 656 OG1 THR A 45 10.477 -4.831 -1.453 1.00 0.66 O ATOM 657 CG2 THR A 45 9.398 -3.191 -0.174 1.00 0.53 C ATOM 0 H THR A 45 8.926 -4.198 -4.128 1.00 0.30 H new ATOM 0 HA THR A 45 7.789 -4.944 -1.457 1.00 0.28 H new ATOM 0 HB THR A 45 9.928 -2.984 -2.254 1.00 0.33 H new ATOM 0 HG1 THR A 45 10.757 -5.126 -2.345 1.00 0.66 H new ATOM 0 HG21 THR A 45 10.364 -2.855 0.202 1.00 0.53 H new ATOM 0 HG22 THR A 45 8.707 -2.349 -0.203 1.00 0.53 H new ATOM 0 HG23 THR A 45 9.001 -3.963 0.485 1.00 0.53 H new ATOM 665 N VAL A 46 6.456 -2.751 -1.381 1.00 0.27 N ATOM 666 CA VAL A 46 5.568 -1.597 -1.422 1.00 0.27 C ATOM 667 C VAL A 46 5.909 -0.688 -0.250 1.00 0.26 C ATOM 668 O VAL A 46 6.261 -1.208 0.810 1.00 0.26 O ATOM 669 CB VAL A 46 4.106 -2.064 -1.437 1.00 0.28 C ATOM 670 CG1 VAL A 46 3.749 -3.003 -0.281 1.00 0.33 C ATOM 671 CG2 VAL A 46 3.134 -0.888 -1.411 1.00 0.37 C ATOM 0 H VAL A 46 6.438 -3.244 -0.488 1.00 0.27 H new ATOM 0 HA VAL A 46 5.706 -1.019 -2.336 1.00 0.27 H new ATOM 0 HB VAL A 46 4.007 -2.616 -2.372 1.00 0.28 H new ATOM 0 HG11 VAL A 46 2.701 -3.291 -0.357 1.00 0.33 H new ATOM 0 HG12 VAL A 46 4.375 -3.894 -0.329 1.00 0.33 H new ATOM 0 HG13 VAL A 46 3.917 -2.493 0.667 1.00 0.33 H new ATOM 0 HG21 VAL A 46 2.110 -1.262 -1.423 1.00 0.37 H new ATOM 0 HG22 VAL A 46 3.296 -0.302 -0.506 1.00 0.37 H new ATOM 0 HG23 VAL A 46 3.301 -0.259 -2.285 1.00 0.37 H new ATOM 681 N ASN A 47 5.856 0.641 -0.441 1.00 0.26 N ATOM 682 CA ASN A 47 6.169 1.607 0.597 1.00 0.23 C ATOM 683 C ASN A 47 5.010 2.583 0.710 1.00 0.21 C ATOM 684 O ASN A 47 4.470 3.009 -0.311 1.00 0.32 O ATOM 685 CB ASN A 47 7.461 2.367 0.270 1.00 0.26 C ATOM 686 CG ASN A 47 8.711 1.647 0.753 1.00 0.24 C ATOM 687 OD1 ASN A 47 9.539 1.212 -0.043 1.00 0.26 O ATOM 688 ND2 ASN A 47 8.879 1.554 2.069 1.00 0.33 N ATOM 0 H ASN A 47 5.592 1.066 -1.330 1.00 0.26 H new ATOM 0 HA ASN A 47 6.320 1.084 1.541 1.00 0.23 H new ATOM 0 HB2 ASN A 47 7.527 2.514 -0.808 1.00 0.26 H new ATOM 0 HB3 ASN A 47 7.419 3.357 0.725 1.00 0.26 H new ATOM 0 HD21 ASN A 47 9.716 1.110 2.446 1.00 0.33 H new ATOM 0 HD22 ASN A 47 8.170 1.926 2.701 1.00 0.33 H new ATOM 695 N VAL A 48 4.648 2.966 1.934 1.00 0.23 N ATOM 696 CA VAL A 48 3.466 3.762 2.185 1.00 0.22 C ATOM 697 C VAL A 48 3.825 4.756 3.285 1.00 0.22 C ATOM 698 O VAL A 48 4.389 4.369 4.311 1.00 0.23 O ATOM 699 CB VAL A 48 2.266 2.843 2.470 1.00 0.25 C ATOM 700 CG1 VAL A 48 2.521 1.843 3.603 1.00 1.81 C ATOM 701 CG2 VAL A 48 0.990 3.656 2.703 1.00 1.65 C ATOM 0 H VAL A 48 5.173 2.728 2.776 1.00 0.23 H new ATOM 0 HA VAL A 48 3.146 4.346 1.322 1.00 0.22 H new ATOM 0 HB VAL A 48 2.123 2.239 1.574 1.00 0.25 H new ATOM 0 HG11 VAL A 48 1.634 1.227 3.751 1.00 1.81 H new ATOM 0 HG12 VAL A 48 3.366 1.206 3.343 1.00 1.81 H new ATOM 0 HG13 VAL A 48 2.744 2.384 4.523 1.00 1.81 H new ATOM 0 HG21 VAL A 48 0.159 2.980 2.902 1.00 1.65 H new ATOM 0 HG22 VAL A 48 1.131 4.318 3.557 1.00 1.65 H new ATOM 0 HG23 VAL A 48 0.770 4.250 1.816 1.00 1.65 H new ATOM 711 N ILE A 49 3.590 6.038 2.998 1.00 0.23 N ATOM 712 CA ILE A 49 4.062 7.182 3.752 1.00 0.25 C ATOM 713 C ILE A 49 2.851 7.766 4.489 1.00 0.30 C ATOM 714 O ILE A 49 2.099 8.579 3.934 1.00 0.37 O ATOM 715 CB ILE A 49 4.699 8.217 2.795 1.00 0.26 C ATOM 716 CG1 ILE A 49 5.617 7.609 1.715 1.00 0.41 C ATOM 717 CG2 ILE A 49 5.429 9.303 3.598 1.00 0.35 C ATOM 718 CD1 ILE A 49 6.780 6.778 2.262 1.00 0.32 C ATOM 0 H ILE A 49 3.034 6.312 2.188 1.00 0.23 H new ATOM 0 HA ILE A 49 4.830 6.897 4.471 1.00 0.25 H new ATOM 0 HB ILE A 49 3.873 8.663 2.241 1.00 0.26 H new ATOM 0 HG12 ILE A 49 5.016 6.981 1.058 1.00 0.41 H new ATOM 0 HG13 ILE A 49 6.020 8.416 1.103 1.00 0.41 H new ATOM 0 HG21 ILE A 49 5.873 10.025 2.913 1.00 0.35 H new ATOM 0 HG22 ILE A 49 4.720 9.811 4.251 1.00 0.35 H new ATOM 0 HG23 ILE A 49 6.213 8.845 4.200 1.00 0.35 H new ATOM 0 HD11 ILE A 49 7.372 6.390 1.433 1.00 0.32 H new ATOM 0 HD12 ILE A 49 7.409 7.404 2.895 1.00 0.32 H new ATOM 0 HD13 ILE A 49 6.389 5.947 2.849 1.00 0.32 H new ATOM 730 N TYR A 50 2.619 7.318 5.725 1.00 0.30 N ATOM 731 CA TYR A 50 1.361 7.574 6.415 1.00 0.30 C ATOM 732 C TYR A 50 1.577 8.001 7.847 1.00 0.29 C ATOM 733 O TYR A 50 2.669 7.834 8.383 1.00 0.34 O ATOM 734 CB TYR A 50 0.463 6.342 6.360 1.00 0.31 C ATOM 735 CG TYR A 50 0.894 5.136 7.175 1.00 0.33 C ATOM 736 CD1 TYR A 50 0.448 5.000 8.499 1.00 1.94 C ATOM 737 CD2 TYR A 50 1.571 4.065 6.566 1.00 1.96 C ATOM 738 CE1 TYR A 50 0.625 3.790 9.185 1.00 1.94 C ATOM 739 CE2 TYR A 50 1.624 2.813 7.206 1.00 1.96 C ATOM 740 CZ TYR A 50 1.099 2.666 8.499 1.00 0.38 C ATOM 741 OH TYR A 50 1.005 1.436 9.083 1.00 0.48 O ATOM 0 H TYR A 50 3.291 6.775 6.267 1.00 0.30 H new ATOM 0 HA TYR A 50 0.870 8.398 5.898 1.00 0.30 H new ATOM 0 HB2 TYR A 50 -0.534 6.635 6.690 1.00 0.31 H new ATOM 0 HB3 TYR A 50 0.376 6.033 5.318 1.00 0.31 H new ATOM 0 HD1 TYR A 50 -0.034 5.832 8.992 1.00 1.94 H new ATOM 0 HD2 TYR A 50 2.050 4.203 5.608 1.00 1.96 H new ATOM 0 HE1 TYR A 50 0.396 3.726 10.239 1.00 1.94 H new ATOM 0 HE2 TYR A 50 2.068 1.967 6.703 1.00 1.96 H new ATOM 0 HH TYR A 50 0.334 0.900 8.611 1.00 0.48 H new ATOM 751 N ASP A 51 0.517 8.536 8.445 1.00 0.29 N ATOM 752 CA ASP A 51 0.528 8.945 9.847 1.00 0.33 C ATOM 753 C ASP A 51 0.170 7.752 10.739 1.00 0.35 C ATOM 754 O ASP A 51 -0.994 7.339 10.740 1.00 0.40 O ATOM 755 CB ASP A 51 -0.438 10.114 10.076 1.00 0.44 C ATOM 756 CG ASP A 51 -0.507 10.530 11.545 1.00 1.89 C ATOM 757 OD1 ASP A 51 0.157 9.876 12.381 1.00 3.05 O ATOM 758 OD2 ASP A 51 -1.249 11.494 11.824 1.00 2.51 O ATOM 0 H ASP A 51 -0.373 8.698 7.973 1.00 0.29 H new ATOM 0 HA ASP A 51 1.529 9.286 10.110 1.00 0.33 H new ATOM 0 HB2 ASP A 51 -0.123 10.966 9.474 1.00 0.44 H new ATOM 0 HB3 ASP A 51 -1.434 9.832 9.733 1.00 0.44 H new ATOM 763 N PRO A 52 1.118 7.199 11.518 1.00 0.40 N ATOM 764 CA PRO A 52 0.872 6.046 12.367 1.00 0.46 C ATOM 765 C PRO A 52 -0.010 6.360 13.582 1.00 0.52 C ATOM 766 O PRO A 52 -0.247 5.466 14.393 1.00 0.59 O ATOM 767 CB PRO A 52 2.254 5.546 12.784 1.00 0.55 C ATOM 768 CG PRO A 52 3.058 6.841 12.848 1.00 0.55 C ATOM 769 CD PRO A 52 2.494 7.647 11.679 1.00 0.45 C ATOM 0 HA PRO A 52 0.308 5.288 11.824 1.00 0.46 H new ATOM 0 HB2 PRO A 52 2.229 5.034 13.746 1.00 0.55 H new ATOM 0 HB3 PRO A 52 2.669 4.844 12.060 1.00 0.55 H new ATOM 0 HG2 PRO A 52 2.920 7.356 13.799 1.00 0.55 H new ATOM 0 HG3 PRO A 52 4.127 6.660 12.736 1.00 0.55 H new ATOM 0 HD2 PRO A 52 2.536 8.717 11.885 1.00 0.45 H new ATOM 0 HD3 PRO A 52 3.071 7.474 10.770 1.00 0.45 H new ATOM 777 N ALA A 53 -0.496 7.598 13.740 1.00 0.57 N ATOM 778 CA ALA A 53 -1.522 7.921 14.713 1.00 0.67 C ATOM 779 C ALA A 53 -2.900 7.731 14.082 1.00 0.59 C ATOM 780 O ALA A 53 -3.865 7.486 14.805 1.00 0.70 O ATOM 781 CB ALA A 53 -1.347 9.369 15.176 1.00 0.82 C ATOM 0 H ALA A 53 -0.182 8.398 13.191 1.00 0.57 H new ATOM 0 HA ALA A 53 -1.433 7.260 15.575 1.00 0.67 H new ATOM 0 HB1 ALA A 53 -2.118 9.613 15.907 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -0.364 9.489 15.631 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -1.435 10.038 14.320 1.00 0.82 H new ATOM 787 N GLU A 54 -2.995 7.875 12.752 1.00 0.48 N ATOM 788 CA GLU A 54 -4.260 7.930 12.040 1.00 0.48 C ATOM 789 C GLU A 54 -4.527 6.572 11.386 1.00 0.40 C ATOM 790 O GLU A 54 -5.570 5.955 11.592 1.00 0.51 O ATOM 791 CB GLU A 54 -4.230 9.079 11.019 1.00 0.62 C ATOM 792 CG GLU A 54 -5.642 9.484 10.560 1.00 0.91 C ATOM 793 CD GLU A 54 -6.192 10.685 11.324 1.00 1.46 C ATOM 794 OE1 GLU A 54 -6.249 10.600 12.570 1.00 2.75 O ATOM 795 OE2 GLU A 54 -6.553 11.669 10.642 1.00 2.45 O ATOM 0 H GLU A 54 -2.181 7.957 12.143 1.00 0.48 H new ATOM 0 HA GLU A 54 -5.080 8.133 12.729 1.00 0.48 H new ATOM 0 HB2 GLU A 54 -3.731 9.942 11.460 1.00 0.62 H new ATOM 0 HB3 GLU A 54 -3.640 8.778 10.153 1.00 0.62 H new ATOM 0 HG2 GLU A 54 -5.620 9.716 9.495 1.00 0.91 H new ATOM 0 HG3 GLU A 54 -6.317 8.638 10.688 1.00 0.91 H new ATOM 802 N THR A 55 -3.547 6.104 10.610 1.00 0.41 N ATOM 803 CA THR A 55 -3.413 4.726 10.167 1.00 0.39 C ATOM 804 C THR A 55 -2.373 3.968 10.973 1.00 0.38 C ATOM 805 O THR A 55 -1.863 4.447 11.978 1.00 0.46 O ATOM 806 CB THR A 55 -3.296 4.611 8.633 1.00 0.40 C ATOM 807 OG1 THR A 55 -2.609 5.727 8.111 1.00 0.46 O ATOM 808 CG2 THR A 55 -4.700 4.600 8.044 1.00 0.44 C ATOM 0 H THR A 55 -2.798 6.703 10.263 1.00 0.41 H new ATOM 0 HA THR A 55 -4.344 4.205 10.388 1.00 0.39 H new ATOM 0 HB THR A 55 -2.754 3.700 8.381 1.00 0.40 H new ATOM 0 HG1 THR A 55 -1.643 5.585 8.194 1.00 0.46 H new ATOM 0 HG21 THR A 55 -4.639 4.519 6.959 1.00 0.44 H new ATOM 0 HG22 THR A 55 -5.254 3.749 8.441 1.00 0.44 H new ATOM 0 HG23 THR A 55 -5.214 5.524 8.311 1.00 0.44 H new ATOM 816 N GLY A 56 -2.151 2.722 10.567 1.00 0.48 N ATOM 817 CA GLY A 56 -1.637 1.667 11.405 1.00 0.55 C ATOM 818 C GLY A 56 -2.314 0.419 10.865 1.00 0.99 C ATOM 819 O GLY A 56 -3.401 0.099 11.322 1.00 2.32 O ATOM 0 H GLY A 56 -2.333 2.418 9.611 1.00 0.48 H new ATOM 0 HA2 GLY A 56 -0.551 1.595 11.338 1.00 0.55 H new ATOM 0 HA3 GLY A 56 -1.881 1.833 12.454 1.00 0.55 H new ATOM 823 N THR A 57 -1.643 -0.232 9.906 1.00 0.44 N ATOM 824 CA THR A 57 -1.953 -1.010 8.698 1.00 0.61 C ATOM 825 C THR A 57 -3.377 -1.505 8.443 1.00 0.42 C ATOM 826 O THR A 57 -3.697 -1.838 7.307 1.00 0.42 O ATOM 827 CB THR A 57 -1.005 -2.221 8.667 1.00 1.16 C ATOM 828 OG1 THR A 57 -1.213 -3.006 9.824 1.00 1.38 O ATOM 829 CG2 THR A 57 0.468 -1.803 8.619 1.00 1.45 C ATOM 0 H THR A 57 -0.627 -0.214 9.990 1.00 0.44 H new ATOM 0 HA THR A 57 -1.822 -0.279 7.900 1.00 0.61 H new ATOM 0 HB THR A 57 -1.227 -2.787 7.762 1.00 1.16 H new ATOM 0 HG1 THR A 57 -0.612 -3.780 9.807 1.00 1.38 H new ATOM 0 HG21 THR A 57 1.098 -2.692 8.598 1.00 1.45 H new ATOM 0 HG22 THR A 57 0.649 -1.209 7.723 1.00 1.45 H new ATOM 0 HG23 THR A 57 0.707 -1.210 9.502 1.00 1.45 H new ATOM 837 N ALA A 58 -4.239 -1.489 9.445 1.00 0.47 N ATOM 838 CA ALA A 58 -5.678 -1.571 9.353 1.00 0.47 C ATOM 839 C ALA A 58 -6.256 -1.084 8.028 1.00 0.43 C ATOM 840 O ALA A 58 -6.890 -1.851 7.302 1.00 0.41 O ATOM 841 CB ALA A 58 -6.223 -0.727 10.507 1.00 0.54 C ATOM 0 H ALA A 58 -3.924 -1.413 10.412 1.00 0.47 H new ATOM 0 HA ALA A 58 -5.973 -2.619 9.410 1.00 0.47 H new ATOM 0 HB1 ALA A 58 -7.313 -0.749 10.491 1.00 0.54 H new ATOM 0 HB2 ALA A 58 -5.865 -1.131 11.454 1.00 0.54 H new ATOM 0 HB3 ALA A 58 -5.880 0.302 10.399 1.00 0.54 H new ATOM 847 N ALA A 59 -6.052 0.194 7.713 1.00 0.45 N ATOM 848 CA ALA A 59 -6.799 0.780 6.601 1.00 0.42 C ATOM 849 C ALA A 59 -6.229 0.258 5.291 1.00 0.38 C ATOM 850 O ALA A 59 -6.948 -0.101 4.361 1.00 0.36 O ATOM 851 CB ALA A 59 -6.769 2.299 6.673 1.00 0.51 C ATOM 0 H ALA A 59 -5.404 0.822 8.189 1.00 0.45 H new ATOM 0 HA ALA A 59 -7.847 0.485 6.663 1.00 0.42 H new ATOM 0 HB1 ALA A 59 -7.331 2.714 5.836 1.00 0.51 H new ATOM 0 HB2 ALA A 59 -7.218 2.628 7.610 1.00 0.51 H new ATOM 0 HB3 ALA A 59 -5.737 2.645 6.624 1.00 0.51 H new ATOM 857 N ILE A 60 -4.899 0.231 5.259 1.00 0.40 N ATOM 858 CA ILE A 60 -4.075 -0.357 4.228 1.00 0.38 C ATOM 859 C ILE A 60 -4.568 -1.747 3.868 1.00 0.36 C ATOM 860 O ILE A 60 -4.949 -1.936 2.724 1.00 0.34 O ATOM 861 CB ILE A 60 -2.617 -0.259 4.698 1.00 0.34 C ATOM 862 CG1 ILE A 60 -2.117 1.119 4.270 1.00 0.34 C ATOM 863 CG2 ILE A 60 -1.677 -1.344 4.170 1.00 0.38 C ATOM 864 CD1 ILE A 60 -1.194 1.745 5.321 1.00 1.27 C ATOM 0 H ILE A 60 -4.341 0.648 6.004 1.00 0.40 H new ATOM 0 HA ILE A 60 -4.141 0.181 3.282 1.00 0.38 H new ATOM 0 HB ILE A 60 -2.608 -0.409 5.778 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -1.583 1.033 3.323 1.00 0.34 H new ATOM 0 HG13 ILE A 60 -2.969 1.777 4.097 1.00 0.34 H new ATOM 0 HG21 ILE A 60 -0.674 -1.179 4.564 1.00 0.38 H new ATOM 0 HG22 ILE A 60 -2.036 -2.323 4.489 1.00 0.38 H new ATOM 0 HG23 ILE A 60 -1.650 -1.304 3.081 1.00 0.38 H new ATOM 0 HD11 ILE A 60 -0.861 2.724 4.976 1.00 1.27 H new ATOM 0 HD12 ILE A 60 -1.735 1.856 6.261 1.00 1.27 H new ATOM 0 HD13 ILE A 60 -0.328 1.101 5.475 1.00 1.27 H new ATOM 876 N GLN A 61 -4.610 -2.697 4.802 1.00 0.40 N ATOM 877 CA GLN A 61 -5.087 -4.038 4.492 1.00 0.38 C ATOM 878 C GLN A 61 -6.513 -3.975 3.918 1.00 0.38 C ATOM 879 O GLN A 61 -6.793 -4.585 2.889 1.00 0.39 O ATOM 880 CB GLN A 61 -5.007 -4.953 5.725 1.00 0.43 C ATOM 881 CG GLN A 61 -4.097 -6.183 5.548 1.00 0.48 C ATOM 882 CD GLN A 61 -2.804 -6.080 6.353 1.00 0.66 C ATOM 883 OE1 GLN A 61 -2.479 -6.963 7.139 1.00 1.07 O ATOM 884 NE2 GLN A 61 -2.053 -4.998 6.181 1.00 0.89 N ATOM 0 H GLN A 61 -4.321 -2.562 5.771 1.00 0.40 H new ATOM 0 HA GLN A 61 -4.438 -4.472 3.731 1.00 0.38 H new ATOM 0 HB2 GLN A 61 -4.647 -4.369 6.572 1.00 0.43 H new ATOM 0 HB3 GLN A 61 -6.012 -5.293 5.976 1.00 0.43 H new ATOM 0 HG2 GLN A 61 -4.639 -7.078 5.853 1.00 0.48 H new ATOM 0 HG3 GLN A 61 -3.854 -6.301 4.492 1.00 0.48 H new ATOM 0 HE21 GLN A 61 -2.343 -4.276 5.522 1.00 0.89 H new ATOM 0 HE22 GLN A 61 -1.187 -4.889 6.708 1.00 0.89 H new ATOM 893 N GLU A 62 -7.402 -3.210 4.561 1.00 0.39 N ATOM 894 CA GLU A 62 -8.778 -3.054 4.101 1.00 0.40 C ATOM 895 C GLU A 62 -8.848 -2.649 2.623 1.00 0.39 C ATOM 896 O GLU A 62 -9.512 -3.290 1.804 1.00 0.42 O ATOM 897 CB GLU A 62 -9.522 -2.041 4.997 1.00 0.37 C ATOM 898 CG GLU A 62 -10.665 -2.710 5.769 1.00 0.67 C ATOM 899 CD GLU A 62 -11.759 -3.193 4.834 1.00 2.06 C ATOM 900 OE1 GLU A 62 -12.555 -2.354 4.353 1.00 3.03 O ATOM 901 OE2 GLU A 62 -11.830 -4.411 4.559 1.00 3.39 O ATOM 0 H GLU A 62 -7.186 -2.686 5.409 1.00 0.39 H new ATOM 0 HA GLU A 62 -9.272 -4.022 4.182 1.00 0.40 H new ATOM 0 HB2 GLU A 62 -8.821 -1.591 5.700 1.00 0.37 H new ATOM 0 HB3 GLU A 62 -9.920 -1.233 4.383 1.00 0.37 H new ATOM 0 HG2 GLU A 62 -10.275 -3.552 6.341 1.00 0.67 H new ATOM 0 HG3 GLU A 62 -11.083 -2.004 6.486 1.00 0.67 H new ATOM 908 N LYS A 63 -8.176 -1.554 2.268 1.00 0.38 N ATOM 909 CA LYS A 63 -8.180 -1.052 0.920 1.00 0.40 C ATOM 910 C LYS A 63 -7.408 -1.971 -0.020 1.00 0.40 C ATOM 911 O LYS A 63 -7.842 -2.152 -1.150 1.00 0.44 O ATOM 912 CB LYS A 63 -7.626 0.368 0.922 1.00 0.42 C ATOM 913 CG LYS A 63 -8.663 1.452 1.269 1.00 0.46 C ATOM 914 CD LYS A 63 -9.688 1.835 0.187 1.00 0.62 C ATOM 915 CE LYS A 63 -10.831 0.828 -0.013 1.00 1.64 C ATOM 916 NZ LYS A 63 -12.059 1.468 -0.527 1.00 2.27 N ATOM 0 H LYS A 63 -7.618 -1.000 2.917 1.00 0.38 H new ATOM 0 HA LYS A 63 -9.202 -1.028 0.543 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -6.805 0.424 1.637 1.00 0.42 H new ATOM 0 HB3 LYS A 63 -7.207 0.584 -0.061 1.00 0.42 H new ATOM 0 HG2 LYS A 63 -9.213 1.120 2.149 1.00 0.46 H new ATOM 0 HG3 LYS A 63 -8.122 2.355 1.553 1.00 0.46 H new ATOM 0 HD2 LYS A 63 -10.118 2.803 0.442 1.00 0.62 H new ATOM 0 HD3 LYS A 63 -9.164 1.959 -0.761 1.00 0.62 H new ATOM 0 HE2 LYS A 63 -10.511 0.052 -0.708 1.00 1.64 H new ATOM 0 HE3 LYS A 63 -11.050 0.337 0.935 1.00 1.64 H new ATOM 0 HZ1 LYS A 63 -12.801 0.749 -0.646 1.00 2.27 H new ATOM 0 HZ2 LYS A 63 -12.382 2.191 0.147 1.00 2.27 H new ATOM 0 HZ3 LYS A 63 -11.860 1.915 -1.445 1.00 2.27 H new ATOM 930 N ILE A 64 -6.293 -2.553 0.428 1.00 0.36 N ATOM 931 CA ILE A 64 -5.510 -3.520 -0.312 1.00 0.35 C ATOM 932 C ILE A 64 -6.481 -4.599 -0.829 1.00 0.34 C ATOM 933 O ILE A 64 -6.573 -4.852 -2.031 1.00 0.35 O ATOM 934 CB ILE A 64 -4.425 -4.081 0.618 1.00 0.35 C ATOM 935 CG1 ILE A 64 -3.160 -3.212 0.607 1.00 0.35 C ATOM 936 CG2 ILE A 64 -4.087 -5.542 0.378 1.00 0.48 C ATOM 937 CD1 ILE A 64 -2.270 -3.429 -0.614 1.00 0.49 C ATOM 0 H ILE A 64 -5.905 -2.350 1.349 1.00 0.36 H new ATOM 0 HA ILE A 64 -5.000 -3.083 -1.171 1.00 0.35 H new ATOM 0 HB ILE A 64 -4.865 -4.042 1.615 1.00 0.35 H new ATOM 0 HG12 ILE A 64 -3.452 -2.163 0.650 1.00 0.35 H new ATOM 0 HG13 ILE A 64 -2.581 -3.419 1.507 1.00 0.35 H new ATOM 0 HG21 ILE A 64 -3.312 -5.856 1.078 1.00 0.48 H new ATOM 0 HG22 ILE A 64 -4.979 -6.151 0.527 1.00 0.48 H new ATOM 0 HG23 ILE A 64 -3.727 -5.669 -0.643 1.00 0.48 H new ATOM 0 HD11 ILE A 64 -1.397 -2.779 -0.548 1.00 0.49 H new ATOM 0 HD12 ILE A 64 -1.946 -4.469 -0.648 1.00 0.49 H new ATOM 0 HD13 ILE A 64 -2.830 -3.194 -1.519 1.00 0.49 H new ATOM 949 N GLU A 65 -7.247 -5.182 0.106 1.00 0.34 N ATOM 950 CA GLU A 65 -8.254 -6.198 -0.162 1.00 0.34 C ATOM 951 C GLU A 65 -9.301 -5.665 -1.138 1.00 0.34 C ATOM 952 O GLU A 65 -9.495 -6.244 -2.204 1.00 0.36 O ATOM 953 CB GLU A 65 -8.908 -6.642 1.155 1.00 0.38 C ATOM 954 CG GLU A 65 -7.979 -7.515 2.009 1.00 0.51 C ATOM 955 CD GLU A 65 -7.995 -8.977 1.579 1.00 0.80 C ATOM 956 OE1 GLU A 65 -9.108 -9.547 1.573 1.00 1.55 O ATOM 957 OE2 GLU A 65 -6.901 -9.498 1.280 1.00 2.20 O ATOM 0 H GLU A 65 -7.174 -4.946 1.096 1.00 0.34 H new ATOM 0 HA GLU A 65 -7.775 -7.063 -0.621 1.00 0.34 H new ATOM 0 HB2 GLU A 65 -9.200 -5.761 1.727 1.00 0.38 H new ATOM 0 HB3 GLU A 65 -9.821 -7.196 0.935 1.00 0.38 H new ATOM 0 HG2 GLU A 65 -6.961 -7.131 1.942 1.00 0.51 H new ATOM 0 HG3 GLU A 65 -8.278 -7.444 3.055 1.00 0.51 H new ATOM 964 N LYS A 66 -9.981 -4.563 -0.798 1.00 0.35 N ATOM 965 CA LYS A 66 -11.036 -4.014 -1.654 1.00 0.41 C ATOM 966 C LYS A 66 -10.544 -3.753 -3.083 1.00 0.43 C ATOM 967 O LYS A 66 -11.277 -3.975 -4.044 1.00 0.54 O ATOM 968 CB LYS A 66 -11.630 -2.733 -1.046 1.00 0.49 C ATOM 969 CG LYS A 66 -12.934 -2.990 -0.280 1.00 0.55 C ATOM 970 CD LYS A 66 -12.698 -3.668 1.074 1.00 2.23 C ATOM 971 CE LYS A 66 -14.047 -4.039 1.706 1.00 2.76 C ATOM 972 NZ LYS A 66 -13.937 -4.207 3.166 1.00 4.65 N ATOM 0 H LYS A 66 -9.819 -4.037 0.061 1.00 0.35 H new ATOM 0 HA LYS A 66 -11.821 -4.768 -1.711 1.00 0.41 H new ATOM 0 HB2 LYS A 66 -10.900 -2.283 -0.372 1.00 0.49 H new ATOM 0 HB3 LYS A 66 -11.817 -2.011 -1.841 1.00 0.49 H new ATOM 0 HG2 LYS A 66 -13.451 -2.044 -0.123 1.00 0.55 H new ATOM 0 HG3 LYS A 66 -13.590 -3.615 -0.886 1.00 0.55 H new ATOM 0 HD2 LYS A 66 -12.088 -4.562 0.943 1.00 2.23 H new ATOM 0 HD3 LYS A 66 -12.146 -3.000 1.735 1.00 2.23 H new ATOM 0 HE2 LYS A 66 -14.779 -3.263 1.483 1.00 2.76 H new ATOM 0 HE3 LYS A 66 -14.416 -4.963 1.260 1.00 2.76 H new ATOM 0 HZ1 LYS A 66 -14.749 -4.755 3.515 1.00 4.65 H new ATOM 0 HZ2 LYS A 66 -13.056 -4.711 3.392 1.00 4.65 H new ATOM 0 HZ3 LYS A 66 -13.928 -3.273 3.623 1.00 4.65 H new ATOM 986 N LEU A 67 -9.318 -3.251 -3.222 1.00 0.39 N ATOM 987 CA LEU A 67 -8.684 -2.982 -4.504 1.00 0.41 C ATOM 988 C LEU A 67 -8.310 -4.273 -5.246 1.00 0.41 C ATOM 989 O LEU A 67 -8.057 -4.232 -6.447 1.00 0.45 O ATOM 990 CB LEU A 67 -7.487 -2.046 -4.299 1.00 0.47 C ATOM 991 CG LEU A 67 -7.938 -0.643 -3.846 1.00 0.55 C ATOM 992 CD1 LEU A 67 -6.769 0.120 -3.224 1.00 0.67 C ATOM 993 CD2 LEU A 67 -8.481 0.185 -5.019 1.00 0.78 C ATOM 0 H LEU A 67 -8.727 -3.016 -2.425 1.00 0.39 H new ATOM 0 HA LEU A 67 -9.401 -2.476 -5.151 1.00 0.41 H new ATOM 0 HB2 LEU A 67 -6.815 -2.471 -3.554 1.00 0.47 H new ATOM 0 HB3 LEU A 67 -6.923 -1.966 -5.228 1.00 0.47 H new ATOM 0 HG LEU A 67 -8.731 -0.788 -3.112 1.00 0.55 H new ATOM 0 HD11 LEU A 67 -7.105 1.108 -2.910 1.00 0.67 H new ATOM 0 HD12 LEU A 67 -6.396 -0.428 -2.359 1.00 0.67 H new ATOM 0 HD13 LEU A 67 -5.971 0.225 -3.959 1.00 0.67 H new ATOM 0 HD21 LEU A 67 -8.789 1.167 -4.660 1.00 0.78 H new ATOM 0 HD22 LEU A 67 -7.703 0.302 -5.773 1.00 0.78 H new ATOM 0 HD23 LEU A 67 -9.338 -0.325 -5.459 1.00 0.78 H new ATOM 1005 N GLY A 68 -8.265 -5.411 -4.545 1.00 0.41 N ATOM 1006 CA GLY A 68 -8.063 -6.728 -5.131 1.00 0.44 C ATOM 1007 C GLY A 68 -6.594 -7.134 -5.107 1.00 0.42 C ATOM 1008 O GLY A 68 -6.132 -7.818 -6.018 1.00 0.41 O ATOM 0 H GLY A 68 -8.371 -5.436 -3.531 1.00 0.41 H new ATOM 0 HA2 GLY A 68 -8.653 -7.464 -4.585 1.00 0.44 H new ATOM 0 HA3 GLY A 68 -8.424 -6.729 -6.159 1.00 0.44 H new ATOM 1012 N TYR A 69 -5.860 -6.719 -4.070 1.00 0.51 N ATOM 1013 CA TYR A 69 -4.459 -7.055 -3.856 1.00 0.48 C ATOM 1014 C TYR A 69 -4.300 -7.701 -2.483 1.00 0.41 C ATOM 1015 O TYR A 69 -5.225 -7.668 -1.676 1.00 0.44 O ATOM 1016 CB TYR A 69 -3.612 -5.776 -3.968 1.00 0.50 C ATOM 1017 CG TYR A 69 -2.867 -5.662 -5.279 1.00 0.55 C ATOM 1018 CD1 TYR A 69 -3.568 -5.702 -6.498 1.00 1.77 C ATOM 1019 CD2 TYR A 69 -1.465 -5.552 -5.284 1.00 1.83 C ATOM 1020 CE1 TYR A 69 -2.872 -5.641 -7.714 1.00 1.88 C ATOM 1021 CE2 TYR A 69 -0.774 -5.454 -6.503 1.00 1.75 C ATOM 1022 CZ TYR A 69 -1.474 -5.543 -7.718 1.00 0.68 C ATOM 1023 OH TYR A 69 -0.805 -5.549 -8.905 1.00 0.76 O ATOM 0 H TYR A 69 -6.241 -6.122 -3.336 1.00 0.51 H new ATOM 0 HA TYR A 69 -4.118 -7.764 -4.611 1.00 0.48 H new ATOM 0 HB2 TYR A 69 -4.261 -4.908 -3.851 1.00 0.50 H new ATOM 0 HB3 TYR A 69 -2.895 -5.751 -3.148 1.00 0.50 H new ATOM 0 HD1 TYR A 69 -4.645 -5.780 -6.497 1.00 1.77 H new ATOM 0 HD2 TYR A 69 -0.920 -5.543 -4.352 1.00 1.83 H new ATOM 0 HE1 TYR A 69 -3.414 -5.670 -8.648 1.00 1.88 H new ATOM 0 HE2 TYR A 69 0.296 -5.310 -6.506 1.00 1.75 H new ATOM 0 HH TYR A 69 -1.306 -6.078 -9.560 1.00 0.76 H new ATOM 1033 N HIS A 70 -3.114 -8.258 -2.211 1.00 0.34 N ATOM 1034 CA HIS A 70 -2.751 -8.780 -0.903 1.00 0.30 C ATOM 1035 C HIS A 70 -1.337 -8.298 -0.584 1.00 0.30 C ATOM 1036 O HIS A 70 -0.398 -8.587 -1.323 1.00 0.54 O ATOM 1037 CB HIS A 70 -2.855 -10.311 -0.919 1.00 0.47 C ATOM 1038 CG HIS A 70 -2.764 -10.986 0.433 1.00 0.72 C ATOM 1039 ND1 HIS A 70 -2.168 -10.508 1.582 1.00 1.77 N ATOM 1040 CD2 HIS A 70 -3.270 -12.226 0.730 1.00 1.66 C ATOM 1041 CE1 HIS A 70 -2.315 -11.439 2.538 1.00 1.60 C ATOM 1042 NE2 HIS A 70 -2.971 -12.509 2.066 1.00 1.48 N ATOM 0 H HIS A 70 -2.375 -8.357 -2.907 1.00 0.34 H new ATOM 0 HA HIS A 70 -3.426 -8.422 -0.126 1.00 0.30 H new ATOM 0 HB2 HIS A 70 -3.803 -10.588 -1.381 1.00 0.47 H new ATOM 0 HB3 HIS A 70 -2.063 -10.705 -1.556 1.00 0.47 H new ATOM 0 HD1 HIS A 70 -1.699 -9.608 1.686 1.00 1.77 H new ATOM 0 HD2 HIS A 70 -3.806 -12.871 0.050 1.00 1.66 H new ATOM 0 HE1 HIS A 70 -1.954 -11.340 3.551 1.00 1.60 H new ATOM 1050 N VAL A 71 -1.190 -7.553 0.514 1.00 0.45 N ATOM 1051 CA VAL A 71 0.098 -7.146 1.060 1.00 0.48 C ATOM 1052 C VAL A 71 0.549 -8.232 2.041 1.00 0.49 C ATOM 1053 O VAL A 71 -0.306 -8.831 2.694 1.00 0.60 O ATOM 1054 CB VAL A 71 -0.042 -5.757 1.712 1.00 0.58 C ATOM 1055 CG1 VAL A 71 -0.873 -5.757 3.004 1.00 1.54 C ATOM 1056 CG2 VAL A 71 1.325 -5.143 2.000 1.00 1.22 C ATOM 0 H VAL A 71 -1.983 -7.211 1.057 1.00 0.45 H new ATOM 0 HA VAL A 71 0.861 -7.048 0.288 1.00 0.48 H new ATOM 0 HB VAL A 71 -0.580 -5.155 0.980 1.00 0.58 H new ATOM 0 HG11 VAL A 71 -0.926 -4.744 3.403 1.00 1.54 H new ATOM 0 HG12 VAL A 71 -1.880 -6.115 2.789 1.00 1.54 H new ATOM 0 HG13 VAL A 71 -0.404 -6.412 3.738 1.00 1.54 H new ATOM 0 HG21 VAL A 71 1.194 -4.163 2.460 1.00 1.22 H new ATOM 0 HG22 VAL A 71 1.879 -5.791 2.679 1.00 1.22 H new ATOM 0 HG23 VAL A 71 1.879 -5.035 1.068 1.00 1.22 H new ATOM 1066 N VAL A 72 1.851 -8.510 2.136 1.00 0.46 N ATOM 1067 CA VAL A 72 2.408 -9.492 3.061 1.00 0.50 C ATOM 1068 C VAL A 72 3.409 -8.796 3.978 1.00 0.48 C ATOM 1069 O VAL A 72 4.144 -7.901 3.559 1.00 0.43 O ATOM 1070 CB VAL A 72 3.021 -10.682 2.322 1.00 0.53 C ATOM 1071 CG1 VAL A 72 3.551 -11.749 3.290 1.00 0.60 C ATOM 1072 CG2 VAL A 72 1.994 -11.335 1.386 1.00 0.69 C ATOM 0 H VAL A 72 2.557 -8.050 1.562 1.00 0.46 H new ATOM 0 HA VAL A 72 1.607 -9.908 3.673 1.00 0.50 H new ATOM 0 HB VAL A 72 3.855 -10.288 1.741 1.00 0.53 H new ATOM 0 HG11 VAL A 72 3.978 -12.576 2.722 1.00 0.60 H new ATOM 0 HG12 VAL A 72 4.320 -11.312 3.928 1.00 0.60 H new ATOM 0 HG13 VAL A 72 2.733 -12.118 3.909 1.00 0.60 H new ATOM 0 HG21 VAL A 72 2.455 -12.179 0.872 1.00 0.69 H new ATOM 0 HG22 VAL A 72 1.142 -11.686 1.969 1.00 0.69 H new ATOM 0 HG23 VAL A 72 1.655 -10.604 0.652 1.00 0.69 H new ATOM 1082 N ILE A 73 3.401 -9.197 5.248 1.00 0.55 N ATOM 1083 CA ILE A 73 4.096 -8.522 6.334 1.00 0.66 C ATOM 1084 C ILE A 73 5.259 -9.390 6.812 1.00 0.74 C ATOM 1085 O ILE A 73 5.191 -10.008 7.870 1.00 0.80 O ATOM 1086 CB ILE A 73 3.115 -8.177 7.469 1.00 0.72 C ATOM 1087 CG1 ILE A 73 1.836 -7.487 6.958 1.00 0.86 C ATOM 1088 CG2 ILE A 73 3.808 -7.295 8.520 1.00 0.86 C ATOM 1089 CD1 ILE A 73 2.052 -6.190 6.172 1.00 1.06 C ATOM 0 H ILE A 73 2.894 -10.027 5.555 1.00 0.55 H new ATOM 0 HA ILE A 73 4.509 -7.578 5.979 1.00 0.66 H new ATOM 0 HB ILE A 73 2.810 -9.119 7.924 1.00 0.72 H new ATOM 0 HG12 ILE A 73 1.295 -8.189 6.324 1.00 0.86 H new ATOM 0 HG13 ILE A 73 1.195 -7.270 7.813 1.00 0.86 H new ATOM 0 HG21 ILE A 73 3.104 -7.058 9.317 1.00 0.86 H new ATOM 0 HG22 ILE A 73 4.662 -7.829 8.937 1.00 0.86 H new ATOM 0 HG23 ILE A 73 4.150 -6.372 8.052 1.00 0.86 H new ATOM 0 HD11 ILE A 73 1.088 -5.789 5.860 1.00 1.06 H new ATOM 0 HD12 ILE A 73 2.561 -5.462 6.804 1.00 1.06 H new ATOM 0 HD13 ILE A 73 2.661 -6.395 5.292 1.00 1.06 H new ATOM 1101 N GLU A 74 6.351 -9.401 6.049 1.00 0.81 N ATOM 1102 CA GLU A 74 7.553 -10.140 6.372 1.00 0.94 C ATOM 1103 C GLU A 74 8.369 -9.552 7.530 1.00 1.13 C ATOM 1104 O GLU A 74 9.374 -10.128 7.936 1.00 1.29 O ATOM 1105 CB GLU A 74 8.392 -10.303 5.103 1.00 1.05 C ATOM 1106 CG GLU A 74 7.882 -11.437 4.203 1.00 1.06 C ATOM 1107 CD GLU A 74 8.211 -12.805 4.790 1.00 1.88 C ATOM 1108 OE1 GLU A 74 9.372 -13.229 4.609 1.00 2.47 O ATOM 1109 OE2 GLU A 74 7.301 -13.391 5.413 1.00 3.41 O ATOM 0 H GLU A 74 6.418 -8.883 5.173 1.00 0.81 H new ATOM 0 HA GLU A 74 7.243 -11.117 6.741 1.00 0.94 H new ATOM 0 HB2 GLU A 74 8.384 -9.368 4.543 1.00 1.05 H new ATOM 0 HB3 GLU A 74 9.428 -10.500 5.379 1.00 1.05 H new ATOM 0 HG2 GLU A 74 6.804 -11.344 4.075 1.00 1.06 H new ATOM 0 HG3 GLU A 74 8.330 -11.347 3.213 1.00 1.06 H new ATOM 1116 N GLY A 75 7.937 -8.407 8.055 1.00 1.20 N ATOM 1117 CA GLY A 75 8.646 -7.667 9.090 1.00 1.45 C ATOM 1118 C GLY A 75 9.969 -7.143 8.531 1.00 2.16 C ATOM 1119 O GLY A 75 11.001 -7.793 8.669 1.00 2.78 O ATOM 0 H GLY A 75 7.067 -7.961 7.765 1.00 1.20 H new ATOM 0 HA2 GLY A 75 8.034 -6.837 9.441 1.00 1.45 H new ATOM 0 HA3 GLY A 75 8.832 -8.312 9.949 1.00 1.45 H new ATOM 1123 N ARG A 76 9.917 -5.990 7.853 1.00 3.51 N ATOM 1124 CA ARG A 76 11.076 -5.450 7.158 1.00 5.45 C ATOM 1125 C ARG A 76 12.234 -5.178 8.116 1.00 6.48 C ATOM 1126 O ARG A 76 13.380 -5.415 7.669 1.00 7.83 O ATOM 1127 CB ARG A 76 10.704 -4.172 6.385 1.00 6.69 C ATOM 1128 CG ARG A 76 11.875 -3.630 5.546 1.00 8.71 C ATOM 1129 CD ARG A 76 12.162 -4.526 4.333 1.00 9.89 C ATOM 1130 NE ARG A 76 13.523 -4.344 3.809 1.00 11.48 N ATOM 1131 CZ ARG A 76 14.601 -5.037 4.221 1.00 12.06 C ATOM 1132 NH1 ARG A 76 14.601 -5.704 5.379 1.00 11.28 N ATOM 1133 NH2 ARG A 76 15.692 -5.070 3.446 1.00 13.70 N ATOM 1134 OXT ARG A 76 11.963 -4.674 9.227 1.00 6.47 O ATOM 0 H ARG A 76 9.077 -5.416 7.775 1.00 3.51 H new ATOM 0 HA ARG A 76 11.407 -6.205 6.445 1.00 5.45 H new ATOM 0 HB2 ARG A 76 9.858 -4.380 5.730 1.00 6.69 H new ATOM 0 HB3 ARG A 76 10.381 -3.406 7.090 1.00 6.69 H new ATOM 0 HG2 ARG A 76 11.644 -2.620 5.207 1.00 8.71 H new ATOM 0 HG3 ARG A 76 12.768 -3.561 6.168 1.00 8.71 H new ATOM 0 HD2 ARG A 76 12.021 -5.570 4.615 1.00 9.89 H new ATOM 0 HD3 ARG A 76 11.441 -4.308 3.545 1.00 9.89 H new ATOM 0 HE ARG A 76 13.661 -3.643 3.081 1.00 11.48 H new ATOM 0 HH11 ARG A 76 13.772 -5.695 5.973 1.00 11.28 H new ATOM 0 HH12 ARG A 76 15.430 -6.222 5.669 1.00 11.28 H new ATOM 0 HH21 ARG A 76 15.700 -4.574 2.555 1.00 13.70 H new ATOM 0 HH22 ARG A 76 16.516 -5.591 3.747 1.00 13.70 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -1.756 -5.624 -13.730 1.00 1.38 CU