USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 621 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 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.16) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.4 (180deg=0.942) USER MOD Single : A 2 THR OG1 : rot 178:sc= 1.24 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 157:sc= -0.656 (180deg=-4.13!) USER MOD Single : A 13 THR OG1 : rot 94:sc= 0.392 USER MOD Single : A 19 ASN : amide:sc=-0.00542 K(o=-0.0054,f=-0.7) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00884) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.07) USER MOD Single : A 33 ASN : amide:sc= 1.09 K(o=1.1,f=-0.13) USER MOD Single : A 37 ASN : amide:sc= -1.05 K(o=-1.1,f=-15!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 77:sc= 1.24 USER MOD Single : A 48 ASN : amide:sc= -0.0688 X(o=-0.069,f=-0.45) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= -0.19 (180deg=-0.216) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 1.12 (180deg=0.962) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.17) USER MOD Single : A 66 TYR OH : rot 99:sc= 0.856 USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0.263 (180deg=0.246) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.11) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.671 16.440 10.617 1.00 10.00 N ATOM 2 CA MET A 1 3.015 15.990 10.214 1.00 10.00 C ATOM 3 C MET A 1 2.909 14.619 9.543 1.00 10.00 C ATOM 4 O MET A 1 3.280 13.608 10.132 1.00 10.00 O ATOM 5 CB MET A 1 3.988 15.972 11.407 1.00 10.00 C ATOM 6 CG MET A 1 4.333 17.387 11.882 1.00 10.00 C ATOM 7 SD MET A 1 2.966 18.303 12.640 1.00 10.00 S ATOM 8 CE MET A 1 3.593 19.990 12.480 1.00 10.00 C ATOM 0 H1 MET A 1 1.754 17.136 11.385 1.00 10.00 H new ATOM 0 H2 MET A 1 1.193 16.877 9.803 1.00 10.00 H new ATOM 0 H3 MET A 1 1.116 15.625 10.947 1.00 10.00 H new ATOM 0 HA MET A 1 3.426 16.699 9.496 1.00 10.00 H new ATOM 0 HB2 MET A 1 3.544 15.411 12.229 1.00 10.00 H new ATOM 0 HB3 MET A 1 4.902 15.451 11.122 1.00 10.00 H new ATOM 0 HG2 MET A 1 5.149 17.322 12.602 1.00 10.00 H new ATOM 0 HG3 MET A 1 4.704 17.958 11.031 1.00 10.00 H new ATOM 0 HE1 MET A 1 2.869 20.688 12.900 1.00 10.00 H new ATOM 0 HE2 MET A 1 4.538 20.079 13.016 1.00 10.00 H new ATOM 0 HE3 MET A 1 3.751 20.221 11.427 1.00 10.00 H new ATOM 20 N THR A 2 2.366 14.598 8.326 1.00 10.00 N ATOM 21 CA THR A 2 2.223 13.405 7.511 1.00 10.00 C ATOM 22 C THR A 2 2.431 13.824 6.057 1.00 10.00 C ATOM 23 O THR A 2 2.428 15.019 5.753 1.00 10.00 O ATOM 24 CB THR A 2 0.843 12.762 7.730 1.00 10.00 C ATOM 25 OG1 THR A 2 -0.200 13.699 7.563 1.00 10.00 O ATOM 26 CG2 THR A 2 0.699 12.135 9.121 1.00 10.00 C ATOM 0 H THR A 2 2.005 15.437 7.873 1.00 10.00 H new ATOM 0 HA THR A 2 2.960 12.651 7.787 1.00 10.00 H new ATOM 0 HB THR A 2 0.768 11.978 6.976 1.00 10.00 H new ATOM 0 HG1 THR A 2 -1.064 13.250 7.674 1.00 10.00 H new ATOM 0 HG21 THR A 2 -0.294 11.696 9.221 1.00 10.00 H new ATOM 0 HG22 THR A 2 1.454 11.359 9.250 1.00 10.00 H new ATOM 0 HG23 THR A 2 0.834 12.903 9.882 1.00 10.00 H new ATOM 34 N GLU A 3 2.636 12.841 5.184 1.00 10.00 N ATOM 35 CA GLU A 3 2.814 12.918 3.759 1.00 10.00 C ATOM 36 C GLU A 3 1.821 11.897 3.220 1.00 10.00 C ATOM 37 O GLU A 3 1.638 10.836 3.820 1.00 10.00 O ATOM 38 CB GLU A 3 4.274 12.554 3.432 1.00 10.00 C ATOM 39 CG GLU A 3 4.456 11.731 2.147 1.00 10.00 C ATOM 40 CD GLU A 3 5.925 11.461 1.852 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.717 12.415 2.009 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.241 10.302 1.510 1.00 10.00 O ATOM 0 H GLU A 3 2.684 11.874 5.504 1.00 10.00 H new ATOM 0 HA GLU A 3 2.637 13.902 3.324 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.853 13.473 3.344 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.691 11.994 4.269 1.00 10.00 H new ATOM 0 HG2 GLU A 3 3.925 10.784 2.243 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.009 12.264 1.308 1.00 10.00 H new ATOM 49 N LYS A 4 1.166 12.255 2.122 1.00 10.00 N ATOM 50 CA LYS A 4 0.252 11.408 1.380 1.00 10.00 C ATOM 51 C LYS A 4 0.987 10.980 0.115 1.00 10.00 C ATOM 52 O LYS A 4 1.605 11.813 -0.547 1.00 10.00 O ATOM 53 CB LYS A 4 -1.006 12.204 1.024 1.00 10.00 C ATOM 54 CG LYS A 4 -1.741 12.721 2.273 1.00 10.00 C ATOM 55 CD LYS A 4 -2.393 14.067 1.949 1.00 10.00 C ATOM 56 CE LYS A 4 -3.043 14.687 3.185 1.00 10.00 C ATOM 57 NZ LYS A 4 -3.674 15.977 2.845 1.00 10.00 N ATOM 0 H LYS A 4 1.264 13.183 1.711 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.055 10.539 1.962 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.733 13.048 0.390 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.680 11.574 0.443 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.498 12.003 2.588 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.042 12.832 3.102 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -1.642 14.749 1.551 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.144 13.931 1.171 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.791 14.005 3.590 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.293 14.836 3.962 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.111 16.385 3.696 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -2.953 16.631 2.479 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.404 15.826 2.120 1.00 10.00 H new ATOM 71 N ALA A 5 0.937 9.691 -0.205 1.00 10.00 N ATOM 72 CA ALA A 5 1.591 9.094 -1.353 1.00 10.00 C ATOM 73 C ALA A 5 0.555 8.233 -2.060 1.00 10.00 C ATOM 74 O ALA A 5 -0.341 7.719 -1.390 1.00 10.00 O ATOM 75 CB ALA A 5 2.778 8.269 -0.876 1.00 10.00 C ATOM 0 H ALA A 5 0.419 9.012 0.353 1.00 10.00 H new ATOM 0 HA ALA A 5 1.971 9.846 -2.045 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.275 7.817 -1.734 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.481 8.914 -0.348 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.430 7.485 -0.204 1.00 10.00 H new ATOM 81 N GLU A 6 0.645 8.078 -3.386 1.00 10.00 N ATOM 82 CA GLU A 6 -0.356 7.344 -4.131 1.00 10.00 C ATOM 83 C GLU A 6 0.398 6.307 -4.938 1.00 10.00 C ATOM 84 O GLU A 6 1.417 6.640 -5.551 1.00 10.00 O ATOM 85 CB GLU A 6 -1.172 8.282 -5.026 1.00 10.00 C ATOM 86 CG GLU A 6 -2.543 7.658 -5.295 1.00 10.00 C ATOM 87 CD GLU A 6 -3.321 8.404 -6.370 1.00 10.00 C ATOM 88 OE1 GLU A 6 -3.120 8.059 -7.555 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.127 9.274 -5.981 1.00 10.00 O ATOM 0 H GLU A 6 1.404 8.454 -3.955 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.078 6.866 -3.469 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.290 9.252 -4.544 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.647 8.454 -5.966 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.413 6.620 -5.600 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.122 7.649 -4.372 1.00 10.00 H new ATOM 96 N PHE A 7 -0.069 5.062 -4.888 1.00 10.00 N ATOM 97 CA PHE A 7 0.542 3.924 -5.534 1.00 10.00 C ATOM 98 C PHE A 7 -0.504 3.179 -6.344 1.00 10.00 C ATOM 99 O PHE A 7 -1.659 3.096 -5.937 1.00 10.00 O ATOM 100 CB PHE A 7 1.137 2.983 -4.498 1.00 10.00 C ATOM 101 CG PHE A 7 1.948 3.631 -3.401 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.861 4.649 -3.709 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.858 3.160 -2.083 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.555 5.311 -2.691 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.645 3.747 -1.083 1.00 10.00 C ATOM 106 CZ PHE A 7 3.450 4.861 -1.367 1.00 10.00 C ATOM 0 H PHE A 7 -0.916 4.818 -4.375 1.00 10.00 H new ATOM 0 HA PHE A 7 1.337 4.279 -6.190 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.324 2.421 -4.038 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.771 2.262 -5.013 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.030 4.924 -4.740 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.186 2.350 -1.840 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.171 6.167 -2.924 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.632 3.338 -0.084 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.983 5.366 -0.575 1.00 10.00 H new ATOM 116 N ASP A 8 -0.056 2.616 -7.458 1.00 10.00 N ATOM 117 CA ASP A 8 -0.808 1.827 -8.407 1.00 10.00 C ATOM 118 C ASP A 8 -0.554 0.400 -7.958 1.00 10.00 C ATOM 119 O ASP A 8 0.597 0.102 -7.631 1.00 10.00 O ATOM 120 CB ASP A 8 -0.184 2.040 -9.803 1.00 10.00 C ATOM 121 CG ASP A 8 -1.089 2.667 -10.848 1.00 10.00 C ATOM 122 OD1 ASP A 8 -2.268 2.948 -10.548 1.00 10.00 O ATOM 123 OD2 ASP A 8 -0.538 2.964 -11.932 1.00 10.00 O ATOM 0 H ASP A 8 0.920 2.711 -7.738 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.868 2.076 -8.454 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.700 2.669 -9.692 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.157 1.075 -10.178 1.00 10.00 H new ATOM 128 N ILE A 9 -1.581 -0.450 -7.924 1.00 10.00 N ATOM 129 CA ILE A 9 -1.422 -1.865 -7.620 1.00 10.00 C ATOM 130 C ILE A 9 -1.824 -2.666 -8.853 1.00 10.00 C ATOM 131 O ILE A 9 -2.646 -2.200 -9.639 1.00 10.00 O ATOM 132 CB ILE A 9 -2.238 -2.277 -6.380 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.096 -1.304 -5.202 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.740 -3.608 -5.827 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.105 -0.177 -5.301 1.00 10.00 C ATOM 0 H ILE A 9 -2.545 -0.173 -8.107 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.380 -2.071 -7.374 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.269 -2.308 -6.733 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.237 -1.841 -4.264 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.087 -0.892 -5.186 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.329 -3.882 -4.952 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.843 -4.380 -6.589 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.691 -3.515 -5.544 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.982 0.497 -4.454 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -2.946 0.373 -6.229 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.114 -0.590 -5.292 1.00 10.00 H new ATOM 147 N GLU A 10 -1.228 -3.849 -9.019 1.00 10.00 N ATOM 148 CA GLU A 10 -1.550 -4.782 -10.084 1.00 10.00 C ATOM 149 C GLU A 10 -1.809 -6.161 -9.475 1.00 10.00 C ATOM 150 O GLU A 10 -0.883 -6.820 -8.991 1.00 10.00 O ATOM 151 CB GLU A 10 -0.396 -4.855 -11.081 1.00 10.00 C ATOM 152 CG GLU A 10 -0.027 -3.480 -11.659 1.00 10.00 C ATOM 153 CD GLU A 10 1.144 -3.561 -12.628 1.00 10.00 C ATOM 154 OE1 GLU A 10 0.964 -4.200 -13.686 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.201 -2.978 -12.294 1.00 10.00 O ATOM 0 H GLU A 10 -0.492 -4.186 -8.398 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.442 -4.444 -10.612 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.477 -5.285 -10.590 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.666 -5.527 -11.896 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -0.892 -3.059 -12.171 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.224 -2.800 -10.844 1.00 10.00 H new ATOM 162 N GLY A 11 -3.069 -6.585 -9.521 1.00 10.00 N ATOM 163 CA GLY A 11 -3.550 -7.919 -9.195 1.00 10.00 C ATOM 164 C GLY A 11 -5.013 -7.881 -8.749 1.00 10.00 C ATOM 165 O GLY A 11 -5.885 -8.347 -9.478 1.00 10.00 O ATOM 0 H GLY A 11 -3.827 -5.965 -9.805 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.448 -8.569 -10.064 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.936 -8.347 -8.403 1.00 10.00 H new ATOM 169 N MET A 12 -5.250 -7.355 -7.538 1.00 10.00 N ATOM 170 CA MET A 12 -6.536 -7.097 -6.906 1.00 10.00 C ATOM 171 C MET A 12 -7.648 -8.053 -7.338 1.00 10.00 C ATOM 172 O MET A 12 -8.537 -7.737 -8.126 1.00 10.00 O ATOM 173 CB MET A 12 -6.872 -5.605 -7.015 1.00 10.00 C ATOM 174 CG MET A 12 -7.101 -4.954 -5.650 1.00 10.00 C ATOM 175 SD MET A 12 -8.810 -4.665 -5.148 1.00 10.00 S ATOM 176 CE MET A 12 -9.375 -6.367 -5.075 1.00 10.00 C ATOM 0 H MET A 12 -4.477 -7.079 -6.932 1.00 10.00 H new ATOM 0 HA MET A 12 -6.451 -7.327 -5.844 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.060 -5.090 -7.528 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.765 -5.481 -7.627 1.00 10.00 H new ATOM 0 HG2 MET A 12 -6.629 -5.581 -4.894 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.580 -3.997 -5.641 1.00 10.00 H new ATOM 0 HE1 MET A 12 -10.239 -6.435 -4.414 1.00 10.00 H new ATOM 0 HE2 MET A 12 -9.655 -6.701 -6.074 1.00 10.00 H new ATOM 0 HE3 MET A 12 -8.575 -7.000 -4.692 1.00 10.00 H new ATOM 186 N THR A 13 -7.582 -9.239 -6.749 1.00 10.00 N ATOM 187 CA THR A 13 -8.366 -10.390 -7.162 1.00 10.00 C ATOM 188 C THR A 13 -9.740 -10.375 -6.493 1.00 10.00 C ATOM 189 O THR A 13 -10.760 -10.535 -7.159 1.00 10.00 O ATOM 190 CB THR A 13 -7.586 -11.675 -6.847 1.00 10.00 C ATOM 191 OG1 THR A 13 -6.193 -11.422 -6.886 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.915 -12.757 -7.877 1.00 10.00 C ATOM 0 H THR A 13 -6.970 -9.430 -5.956 1.00 10.00 H new ATOM 0 HA THR A 13 -8.538 -10.350 -8.238 1.00 10.00 H new ATOM 0 HB THR A 13 -7.872 -12.013 -5.851 1.00 10.00 H new ATOM 0 HG1 THR A 13 -5.873 -11.215 -5.983 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.356 -13.663 -7.644 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.983 -12.972 -7.850 1.00 10.00 H new ATOM 0 HG23 THR A 13 -7.640 -12.408 -8.872 1.00 10.00 H new ATOM 200 N CYS A 14 -9.768 -10.185 -5.169 1.00 10.00 N ATOM 201 CA CYS A 14 -10.985 -10.042 -4.392 1.00 10.00 C ATOM 202 C CYS A 14 -10.731 -8.986 -3.325 1.00 10.00 C ATOM 203 O CYS A 14 -9.580 -8.663 -3.032 1.00 10.00 O ATOM 204 CB CYS A 14 -11.372 -11.389 -3.768 1.00 10.00 C ATOM 205 SG CYS A 14 -10.252 -11.982 -2.477 1.00 10.00 S ATOM 0 H CYS A 14 -8.921 -10.126 -4.604 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.817 -9.730 -5.024 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -12.374 -11.303 -3.348 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -11.421 -12.138 -4.558 1.00 10.00 H new ATOM 210 N ALA A 15 -11.795 -8.461 -2.716 1.00 10.00 N ATOM 211 CA ALA A 15 -11.678 -7.436 -1.687 1.00 10.00 C ATOM 212 C ALA A 15 -10.714 -7.853 -0.570 1.00 10.00 C ATOM 213 O ALA A 15 -10.047 -7.005 0.022 1.00 10.00 O ATOM 214 CB ALA A 15 -13.064 -7.106 -1.129 1.00 10.00 C ATOM 0 H ALA A 15 -12.756 -8.735 -2.923 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.257 -6.540 -2.143 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.973 -6.339 -0.360 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.702 -6.740 -1.933 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.505 -8.004 -0.696 1.00 10.00 H new ATOM 220 N ALA A 16 -10.617 -9.157 -0.283 1.00 10.00 N ATOM 221 CA ALA A 16 -9.685 -9.661 0.711 1.00 10.00 C ATOM 222 C ALA A 16 -8.232 -9.364 0.323 1.00 10.00 C ATOM 223 O ALA A 16 -7.437 -9.059 1.210 1.00 10.00 O ATOM 224 CB ALA A 16 -9.904 -11.153 0.974 1.00 10.00 C ATOM 0 H ALA A 16 -11.180 -9.879 -0.733 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.884 -9.132 1.643 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.191 -11.499 1.722 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.919 -11.313 1.338 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.758 -11.711 0.049 1.00 10.00 H new ATOM 230 N CYS A 17 -7.881 -9.434 -0.970 1.00 10.00 N ATOM 231 CA CYS A 17 -6.550 -9.063 -1.442 1.00 10.00 C ATOM 232 C CYS A 17 -6.267 -7.617 -1.045 1.00 10.00 C ATOM 233 O CYS A 17 -5.277 -7.334 -0.369 1.00 10.00 O ATOM 234 CB CYS A 17 -6.441 -9.227 -2.966 1.00 10.00 C ATOM 235 SG CYS A 17 -6.415 -10.931 -3.579 1.00 10.00 S ATOM 0 H CYS A 17 -8.511 -9.748 -1.708 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.814 -9.723 -0.983 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.280 -8.708 -3.429 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.533 -8.727 -3.302 1.00 10.00 H new ATOM 240 N ALA A 18 -7.156 -6.715 -1.465 1.00 10.00 N ATOM 241 CA ALA A 18 -7.097 -5.299 -1.131 1.00 10.00 C ATOM 242 C ALA A 18 -6.915 -5.105 0.385 1.00 10.00 C ATOM 243 O ALA A 18 -5.950 -4.498 0.850 1.00 10.00 O ATOM 244 CB ALA A 18 -8.347 -4.598 -1.676 1.00 10.00 C ATOM 0 H ALA A 18 -7.950 -6.957 -2.058 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.228 -4.840 -1.603 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.307 -3.537 -1.428 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.387 -4.716 -2.759 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.237 -5.041 -1.229 1.00 10.00 H new ATOM 250 N ASN A 19 -7.826 -5.676 1.175 1.00 10.00 N ATOM 251 CA ASN A 19 -7.777 -5.610 2.633 1.00 10.00 C ATOM 252 C ASN A 19 -6.438 -6.129 3.174 1.00 10.00 C ATOM 253 O ASN A 19 -5.878 -5.562 4.109 1.00 10.00 O ATOM 254 CB ASN A 19 -8.963 -6.394 3.204 1.00 10.00 C ATOM 255 CG ASN A 19 -9.036 -6.375 4.730 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.424 -5.556 5.405 1.00 10.00 O ATOM 257 ND2 ASN A 19 -9.801 -7.300 5.304 1.00 10.00 N ATOM 0 H ASN A 19 -8.624 -6.201 0.816 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.852 -4.570 2.950 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.888 -5.982 2.800 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.900 -7.428 2.865 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -9.884 -7.334 6.320 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.304 -7.975 4.728 1.00 10.00 H new ATOM 264 N ARG A 20 -5.889 -7.200 2.590 1.00 10.00 N ATOM 265 CA ARG A 20 -4.599 -7.730 2.994 1.00 10.00 C ATOM 266 C ARG A 20 -3.522 -6.654 2.861 1.00 10.00 C ATOM 267 O ARG A 20 -2.666 -6.534 3.743 1.00 10.00 O ATOM 268 CB ARG A 20 -4.245 -8.975 2.166 1.00 10.00 C ATOM 269 CG ARG A 20 -4.130 -10.244 3.015 1.00 10.00 C ATOM 270 CD ARG A 20 -5.508 -10.702 3.503 1.00 10.00 C ATOM 271 NE ARG A 20 -5.403 -11.952 4.270 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.441 -12.599 4.823 1.00 10.00 C ATOM 273 NH1 ARG A 20 -7.674 -12.096 4.700 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.239 -13.739 5.494 1.00 10.00 N ATOM 0 H ARG A 20 -6.330 -7.716 1.829 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.653 -8.030 4.041 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.006 -9.124 1.400 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.301 -8.804 1.648 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.665 -11.037 2.430 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.481 -10.057 3.870 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.955 -9.926 4.124 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -6.170 -10.848 2.650 1.00 10.00 H new ATOM 0 HE ARG A 20 -4.475 -12.357 4.391 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -7.821 -11.226 4.188 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -8.467 -12.582 5.118 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.296 -14.117 5.585 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -7.028 -14.230 5.914 1.00 10.00 H new ATOM 288 N ILE A 21 -3.575 -5.865 1.779 1.00 10.00 N ATOM 289 CA ILE A 21 -2.636 -4.759 1.630 1.00 10.00 C ATOM 290 C ILE A 21 -2.790 -3.828 2.831 1.00 10.00 C ATOM 291 O ILE A 21 -1.803 -3.547 3.506 1.00 10.00 O ATOM 292 CB ILE A 21 -2.734 -3.992 0.289 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.210 -4.872 -0.871 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.345 -3.432 -0.044 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.915 -4.335 -2.276 1.00 10.00 C ATOM 0 H ILE A 21 -4.242 -5.972 1.015 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.635 -5.189 1.603 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.473 -3.200 0.410 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.747 -5.854 -0.772 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.286 -5.017 -0.776 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.389 -2.886 -0.987 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -1.024 -2.758 0.751 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.633 -4.253 -0.133 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.294 -5.035 -3.020 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.402 -3.369 -2.406 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.839 -4.219 -2.402 1.00 10.00 H new ATOM 307 N GLU A 22 -4.018 -3.388 3.131 1.00 10.00 N ATOM 308 CA GLU A 22 -4.274 -2.480 4.245 1.00 10.00 C ATOM 309 C GLU A 22 -3.712 -3.045 5.547 1.00 10.00 C ATOM 310 O GLU A 22 -3.067 -2.330 6.311 1.00 10.00 O ATOM 311 CB GLU A 22 -5.771 -2.186 4.398 1.00 10.00 C ATOM 312 CG GLU A 22 -6.376 -1.729 3.073 1.00 10.00 C ATOM 313 CD GLU A 22 -7.748 -1.092 3.229 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.336 -1.238 4.322 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.173 -0.455 2.240 1.00 10.00 O ATOM 0 H GLU A 22 -4.854 -3.652 2.610 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.766 -1.541 4.023 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.287 -3.080 4.749 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.919 -1.415 5.155 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.702 -1.014 2.601 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.454 -2.585 2.402 1.00 10.00 H new ATOM 322 N LYS A 23 -3.953 -4.332 5.796 1.00 10.00 N ATOM 323 CA LYS A 23 -3.440 -5.049 6.956 1.00 10.00 C ATOM 324 C LYS A 23 -1.911 -4.923 7.035 1.00 10.00 C ATOM 325 O LYS A 23 -1.373 -4.488 8.054 1.00 10.00 O ATOM 326 CB LYS A 23 -3.893 -6.520 6.893 1.00 10.00 C ATOM 327 CG LYS A 23 -4.810 -6.962 8.046 1.00 10.00 C ATOM 328 CD LYS A 23 -4.055 -7.404 9.315 1.00 10.00 C ATOM 329 CE LYS A 23 -3.609 -6.272 10.255 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.746 -5.612 10.933 1.00 10.00 N ATOM 0 H LYS A 23 -4.523 -4.915 5.182 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.845 -4.608 7.867 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.413 -6.685 5.950 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.009 -7.158 6.885 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.478 -6.139 8.301 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.436 -7.786 7.703 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.693 -8.087 9.876 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.173 -7.969 9.012 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.928 -6.675 11.005 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.051 -5.530 9.684 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.386 -4.904 11.604 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.348 -5.144 10.226 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.304 -6.323 11.446 1.00 10.00 H new ATOM 344 N ARG A 24 -1.206 -5.319 5.970 1.00 10.00 N ATOM 345 CA ARG A 24 0.251 -5.223 5.923 1.00 10.00 C ATOM 346 C ARG A 24 0.710 -3.787 6.145 1.00 10.00 C ATOM 347 O ARG A 24 1.572 -3.538 6.983 1.00 10.00 O ATOM 348 CB ARG A 24 0.783 -5.738 4.580 1.00 10.00 C ATOM 349 CG ARG A 24 1.299 -7.177 4.686 1.00 10.00 C ATOM 350 CD ARG A 24 2.627 -7.252 5.461 1.00 10.00 C ATOM 351 NE ARG A 24 2.502 -8.012 6.716 1.00 10.00 N ATOM 352 CZ ARG A 24 3.542 -8.356 7.493 1.00 10.00 C ATOM 353 NH1 ARG A 24 4.772 -7.929 7.182 1.00 10.00 N ATOM 354 NH2 ARG A 24 3.352 -9.127 8.570 1.00 10.00 N ATOM 0 H ARG A 24 -1.626 -5.710 5.127 1.00 10.00 H new ATOM 0 HA ARG A 24 0.652 -5.844 6.724 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.009 -5.690 3.833 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.587 -5.088 4.234 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.552 -7.795 5.184 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.438 -7.588 3.686 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.386 -7.717 4.832 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.972 -6.242 5.684 1.00 10.00 H new ATOM 0 HE ARG A 24 1.568 -8.295 7.013 1.00 10.00 H new ATOM 0 HH11 ARG A 24 4.916 -7.345 6.358 1.00 10.00 H new ATOM 0 HH12 ARG A 24 5.565 -8.187 7.769 1.00 10.00 H new ATOM 0 HH21 ARG A 24 2.415 -9.455 8.803 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.144 -9.386 9.158 1.00 10.00 H new ATOM 368 N LEU A 25 0.138 -2.853 5.387 1.00 10.00 N ATOM 369 CA LEU A 25 0.459 -1.439 5.471 1.00 10.00 C ATOM 370 C LEU A 25 0.334 -0.981 6.923 1.00 10.00 C ATOM 371 O LEU A 25 1.291 -0.461 7.481 1.00 10.00 O ATOM 372 CB LEU A 25 -0.459 -0.641 4.537 1.00 10.00 C ATOM 373 CG LEU A 25 -0.144 -0.881 3.049 1.00 10.00 C ATOM 374 CD1 LEU A 25 -1.376 -0.580 2.181 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.036 -0.011 2.597 1.00 10.00 C ATOM 0 H LEU A 25 -0.573 -3.067 4.687 1.00 10.00 H new ATOM 0 HA LEU A 25 1.485 -1.264 5.148 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.496 -0.913 4.733 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.361 0.422 4.758 1.00 10.00 H new ATOM 0 HG LEU A 25 0.127 -1.930 2.927 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.134 -0.755 1.133 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.198 -1.231 2.478 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.671 0.461 2.316 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.242 -0.196 1.543 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.788 1.041 2.739 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.918 -0.259 3.188 1.00 10.00 H new ATOM 387 N ASN A 26 -0.813 -1.243 7.554 1.00 10.00 N ATOM 388 CA ASN A 26 -1.064 -0.930 8.956 1.00 10.00 C ATOM 389 C ASN A 26 0.013 -1.505 9.873 1.00 10.00 C ATOM 390 O ASN A 26 0.370 -0.875 10.862 1.00 10.00 O ATOM 391 CB ASN A 26 -2.439 -1.452 9.388 1.00 10.00 C ATOM 392 CG ASN A 26 -3.536 -0.414 9.175 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.963 0.243 10.117 1.00 10.00 O ATOM 394 ND2 ASN A 26 -4.015 -0.270 7.945 1.00 10.00 N ATOM 0 H ASN A 26 -1.607 -1.687 7.092 1.00 10.00 H new ATOM 0 HA ASN A 26 -1.041 0.156 9.048 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.678 -2.354 8.824 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.406 -1.734 10.440 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.760 0.403 7.763 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.638 -0.832 7.182 1.00 10.00 H new ATOM 401 N LYS A 27 0.510 -2.709 9.577 1.00 10.00 N ATOM 402 CA LYS A 27 1.594 -3.294 10.353 1.00 10.00 C ATOM 403 C LYS A 27 2.833 -2.391 10.306 1.00 10.00 C ATOM 404 O LYS A 27 3.537 -2.307 11.305 1.00 10.00 O ATOM 405 CB LYS A 27 1.869 -4.736 9.887 1.00 10.00 C ATOM 406 CG LYS A 27 2.445 -5.688 10.958 1.00 10.00 C ATOM 407 CD LYS A 27 3.983 -5.725 11.066 1.00 10.00 C ATOM 408 CE LYS A 27 4.585 -4.757 12.106 1.00 10.00 C ATOM 409 NZ LYS A 27 5.516 -5.385 13.065 1.00 10.00 N ATOM 0 H LYS A 27 0.177 -3.291 8.808 1.00 10.00 H new ATOM 0 HA LYS A 27 1.302 -3.360 11.401 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.938 -5.161 9.513 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.563 -4.701 9.048 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.038 -5.402 11.928 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.090 -6.697 10.749 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.291 -6.740 11.316 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.407 -5.495 10.089 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.110 -3.960 11.580 1.00 10.00 H new ATOM 0 HE3 LYS A 27 3.772 -4.290 12.662 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 5.924 -4.654 13.682 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 5.002 -6.079 13.644 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.279 -5.864 12.545 1.00 10.00 H new ATOM 423 N ILE A 28 3.122 -1.725 9.179 1.00 10.00 N ATOM 424 CA ILE A 28 4.322 -0.897 9.068 1.00 10.00 C ATOM 425 C ILE A 28 4.384 0.116 10.210 1.00 10.00 C ATOM 426 O ILE A 28 3.419 0.803 10.540 1.00 10.00 O ATOM 427 CB ILE A 28 4.434 -0.188 7.712 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.454 -1.223 6.574 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.677 0.717 7.640 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.433 -0.562 5.205 1.00 10.00 C ATOM 0 H ILE A 28 2.543 -1.746 8.339 1.00 10.00 H new ATOM 0 HA ILE A 28 5.175 -1.571 9.141 1.00 10.00 H new ATOM 0 HB ILE A 28 3.559 0.452 7.598 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.346 -1.844 6.664 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.594 -1.885 6.671 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.719 1.200 6.664 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.619 1.477 8.419 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.574 0.115 7.786 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.448 -1.329 4.430 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.528 0.038 5.104 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.307 0.080 5.097 1.00 10.00 H new ATOM 442 N GLU A 29 5.564 0.195 10.800 1.00 10.00 N ATOM 443 CA GLU A 29 5.817 0.913 12.026 1.00 10.00 C ATOM 444 C GLU A 29 6.144 2.356 11.644 1.00 10.00 C ATOM 445 O GLU A 29 7.245 2.650 11.187 1.00 10.00 O ATOM 446 CB GLU A 29 6.904 0.151 12.804 1.00 10.00 C ATOM 447 CG GLU A 29 6.333 -1.230 13.198 1.00 10.00 C ATOM 448 CD GLU A 29 7.346 -2.201 13.787 1.00 10.00 C ATOM 449 OE1 GLU A 29 8.467 -1.764 14.111 1.00 10.00 O ATOM 450 OE2 GLU A 29 6.965 -3.392 13.889 1.00 10.00 O ATOM 0 H GLU A 29 6.397 -0.256 10.422 1.00 10.00 H new ATOM 0 HA GLU A 29 4.966 0.968 12.704 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.798 0.033 12.192 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.198 0.709 13.693 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.531 -1.082 13.921 1.00 10.00 H new ATOM 0 HG3 GLU A 29 5.885 -1.687 12.315 1.00 10.00 H new ATOM 457 N GLY A 30 5.140 3.233 11.764 1.00 10.00 N ATOM 458 CA GLY A 30 5.224 4.649 11.427 1.00 10.00 C ATOM 459 C GLY A 30 4.445 5.019 10.161 1.00 10.00 C ATOM 460 O GLY A 30 4.686 6.073 9.573 1.00 10.00 O ATOM 0 H GLY A 30 4.219 2.962 12.110 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.845 5.237 12.263 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.271 4.922 11.294 1.00 10.00 H new ATOM 464 N VAL A 31 3.474 4.191 9.761 1.00 10.00 N ATOM 465 CA VAL A 31 2.446 4.592 8.804 1.00 10.00 C ATOM 466 C VAL A 31 1.381 5.404 9.548 1.00 10.00 C ATOM 467 O VAL A 31 1.223 5.239 10.757 1.00 10.00 O ATOM 468 CB VAL A 31 1.856 3.338 8.130 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.972 2.535 9.094 1.00 10.00 C ATOM 470 CG2 VAL A 31 1.034 3.670 6.878 1.00 10.00 C ATOM 0 H VAL A 31 3.382 3.230 10.091 1.00 10.00 H new ATOM 0 HA VAL A 31 2.865 5.217 8.016 1.00 10.00 H new ATOM 0 HB VAL A 31 2.718 2.739 7.835 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.576 1.659 8.580 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.565 2.215 9.951 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.147 3.159 9.436 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.643 2.749 6.445 1.00 10.00 H new ATOM 0 HG22 VAL A 31 0.205 4.324 7.150 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.669 4.173 6.149 1.00 10.00 H new ATOM 480 N ALA A 32 0.644 6.260 8.837 1.00 10.00 N ATOM 481 CA ALA A 32 -0.540 6.929 9.366 1.00 10.00 C ATOM 482 C ALA A 32 -1.813 6.218 8.895 1.00 10.00 C ATOM 483 O ALA A 32 -2.642 5.846 9.722 1.00 10.00 O ATOM 484 CB ALA A 32 -0.535 8.410 8.980 1.00 10.00 C ATOM 0 H ALA A 32 0.856 6.508 7.871 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.521 6.876 10.455 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.425 8.894 9.382 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.355 8.889 9.388 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.531 8.503 7.894 1.00 10.00 H new ATOM 490 N ASN A 33 -1.980 6.014 7.583 1.00 10.00 N ATOM 491 CA ASN A 33 -3.163 5.376 7.002 1.00 10.00 C ATOM 492 C ASN A 33 -2.771 4.754 5.671 1.00 10.00 C ATOM 493 O ASN A 33 -1.704 5.066 5.151 1.00 10.00 O ATOM 494 CB ASN A 33 -4.279 6.398 6.736 1.00 10.00 C ATOM 495 CG ASN A 33 -4.979 6.876 7.996 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.743 6.129 8.600 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.783 8.131 8.378 1.00 10.00 N ATOM 0 H ASN A 33 -1.287 6.292 6.888 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.530 4.629 7.706 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -3.856 7.258 6.217 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.016 5.953 6.068 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.273 8.498 9.193 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.142 8.729 7.856 1.00 10.00 H new ATOM 504 N ALA A 34 -3.641 3.920 5.092 1.00 10.00 N ATOM 505 CA ALA A 34 -3.457 3.384 3.749 1.00 10.00 C ATOM 506 C ALA A 34 -4.675 2.608 3.221 1.00 10.00 C ATOM 507 O ALA A 34 -4.549 1.417 2.940 1.00 10.00 O ATOM 508 CB ALA A 34 -2.216 2.488 3.724 1.00 10.00 C ATOM 0 H ALA A 34 -4.495 3.599 5.548 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.330 4.239 3.084 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.077 2.086 2.720 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.340 3.072 4.005 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.346 1.667 4.429 1.00 10.00 H new ATOM 514 N PRO A 35 -5.843 3.244 3.050 1.00 10.00 N ATOM 515 CA PRO A 35 -6.991 2.587 2.436 1.00 10.00 C ATOM 516 C PRO A 35 -6.765 2.385 0.925 1.00 10.00 C ATOM 517 O PRO A 35 -6.393 3.339 0.237 1.00 10.00 O ATOM 518 CB PRO A 35 -8.172 3.518 2.721 1.00 10.00 C ATOM 519 CG PRO A 35 -7.524 4.903 2.795 1.00 10.00 C ATOM 520 CD PRO A 35 -6.150 4.623 3.408 1.00 10.00 C ATOM 0 HA PRO A 35 -7.166 1.589 2.838 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.923 3.467 1.932 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.672 3.258 3.654 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.438 5.359 1.809 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.107 5.586 3.412 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.398 5.308 3.017 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.168 4.754 4.490 1.00 10.00 H new ATOM 528 N VAL A 36 -6.981 1.168 0.398 1.00 10.00 N ATOM 529 CA VAL A 36 -6.865 0.864 -1.031 1.00 10.00 C ATOM 530 C VAL A 36 -8.241 0.834 -1.701 1.00 10.00 C ATOM 531 O VAL A 36 -9.210 0.354 -1.117 1.00 10.00 O ATOM 532 CB VAL A 36 -6.065 -0.434 -1.238 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.714 -1.656 -0.594 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.839 -0.757 -2.720 1.00 10.00 C ATOM 0 H VAL A 36 -7.244 0.360 0.963 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.307 1.662 -1.521 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.112 -0.234 -0.748 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.097 -2.535 -0.779 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -6.805 -1.496 0.480 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -7.704 -1.811 -1.023 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.270 -1.682 -2.808 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.802 -0.874 -3.218 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.285 0.056 -3.189 1.00 10.00 H new ATOM 544 N ASN A 37 -8.348 1.352 -2.932 1.00 10.00 N ATOM 545 CA ASN A 37 -9.599 1.288 -3.673 1.00 10.00 C ATOM 546 C ASN A 37 -9.791 -0.086 -4.314 1.00 10.00 C ATOM 547 O ASN A 37 -8.873 -0.900 -4.354 1.00 10.00 O ATOM 548 CB ASN A 37 -9.685 2.433 -4.693 1.00 10.00 C ATOM 549 CG ASN A 37 -8.933 2.225 -6.013 1.00 10.00 C ATOM 550 OD1 ASN A 37 -8.954 1.173 -6.643 1.00 10.00 O ATOM 551 ND2 ASN A 37 -8.314 3.277 -6.521 1.00 10.00 N ATOM 0 H ASN A 37 -7.585 1.815 -3.426 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.424 1.421 -2.974 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -10.736 2.609 -4.922 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -9.305 3.340 -4.222 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.858 3.210 -7.431 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -8.292 4.155 -6.003 1.00 10.00 H new ATOM 558 N PHE A 38 -10.984 -0.318 -4.867 1.00 10.00 N ATOM 559 CA PHE A 38 -11.254 -1.444 -5.753 1.00 10.00 C ATOM 560 C PHE A 38 -11.986 -0.883 -6.972 1.00 10.00 C ATOM 561 O PHE A 38 -13.122 -1.251 -7.255 1.00 10.00 O ATOM 562 CB PHE A 38 -12.054 -2.511 -4.991 1.00 10.00 C ATOM 563 CG PHE A 38 -12.217 -3.888 -5.625 1.00 10.00 C ATOM 564 CD1 PHE A 38 -11.703 -4.196 -6.903 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.845 -4.902 -4.876 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.785 -5.509 -7.403 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.946 -6.209 -5.386 1.00 10.00 C ATOM 568 CZ PHE A 38 -12.400 -6.517 -6.643 1.00 10.00 C ATOM 0 H PHE A 38 -11.796 0.279 -4.708 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.345 -1.940 -6.095 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.582 -2.648 -4.018 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -13.051 -2.110 -4.808 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -11.245 -3.421 -7.500 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.252 -4.674 -3.902 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -11.374 -5.742 -8.374 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.444 -6.976 -4.811 1.00 10.00 H new ATOM 0 HZ PHE A 38 -12.453 -7.526 -7.024 1.00 10.00 H new ATOM 578 N ALA A 39 -11.335 0.058 -7.661 1.00 10.00 N ATOM 579 CA ALA A 39 -11.862 0.678 -8.869 1.00 10.00 C ATOM 580 C ALA A 39 -10.728 1.015 -9.837 1.00 10.00 C ATOM 581 O ALA A 39 -10.680 0.479 -10.939 1.00 10.00 O ATOM 582 CB ALA A 39 -12.685 1.918 -8.507 1.00 10.00 C ATOM 0 H ALA A 39 -10.418 0.411 -7.389 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.523 -0.027 -9.373 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.075 2.374 -9.417 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.515 1.628 -7.862 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.052 2.635 -7.984 1.00 10.00 H new ATOM 588 N LEU A 40 -9.823 1.916 -9.435 1.00 10.00 N ATOM 589 CA LEU A 40 -8.732 2.378 -10.297 1.00 10.00 C ATOM 590 C LEU A 40 -7.494 1.502 -10.102 1.00 10.00 C ATOM 591 O LEU A 40 -6.551 1.572 -10.885 1.00 10.00 O ATOM 592 CB LEU A 40 -8.396 3.856 -10.032 1.00 10.00 C ATOM 593 CG LEU A 40 -9.607 4.778 -10.020 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.629 5.707 -8.802 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.739 5.591 -11.313 1.00 10.00 C ATOM 0 H LEU A 40 -9.827 2.342 -8.508 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.062 2.294 -11.332 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.884 3.934 -9.073 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.698 4.201 -10.795 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.471 4.118 -9.950 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.514 6.342 -8.845 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.654 5.111 -7.890 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.735 6.330 -8.804 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.619 6.232 -11.252 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.850 6.207 -11.448 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.842 4.913 -12.160 1.00 10.00 H new ATOM 607 N GLU A 41 -7.517 0.704 -9.031 1.00 10.00 N ATOM 608 CA GLU A 41 -6.450 -0.185 -8.600 1.00 10.00 C ATOM 609 C GLU A 41 -5.296 0.672 -8.076 1.00 10.00 C ATOM 610 O GLU A 41 -4.159 0.629 -8.542 1.00 10.00 O ATOM 611 CB GLU A 41 -6.090 -1.197 -9.703 1.00 10.00 C ATOM 612 CG GLU A 41 -5.944 -2.612 -9.125 1.00 10.00 C ATOM 613 CD GLU A 41 -5.547 -3.643 -10.181 1.00 10.00 C ATOM 614 OE1 GLU A 41 -5.958 -3.456 -11.346 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.869 -4.623 -9.799 1.00 10.00 O ATOM 0 H GLU A 41 -8.327 0.663 -8.412 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.764 -0.820 -7.772 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.862 -1.192 -10.472 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.159 -0.899 -10.185 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.194 -2.601 -8.334 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.886 -2.912 -8.667 1.00 10.00 H new ATOM 622 N THR A 42 -5.635 1.500 -7.087 1.00 10.00 N ATOM 623 CA THR A 42 -4.762 2.507 -6.508 1.00 10.00 C ATOM 624 C THR A 42 -4.979 2.548 -4.988 1.00 10.00 C ATOM 625 O THR A 42 -6.109 2.371 -4.521 1.00 10.00 O ATOM 626 CB THR A 42 -5.016 3.858 -7.194 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.956 3.709 -8.603 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.029 4.939 -6.764 1.00 10.00 C ATOM 0 H THR A 42 -6.559 1.483 -6.656 1.00 10.00 H new ATOM 0 HA THR A 42 -3.713 2.261 -6.675 1.00 10.00 H new ATOM 0 HB THR A 42 -6.011 4.179 -6.885 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.121 4.575 -9.031 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.260 5.870 -7.283 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.106 5.095 -5.688 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.015 4.626 -7.014 1.00 10.00 H new ATOM 636 N VAL A 43 -3.899 2.760 -4.226 1.00 10.00 N ATOM 637 CA VAL A 43 -3.918 2.977 -2.782 1.00 10.00 C ATOM 638 C VAL A 43 -3.298 4.335 -2.478 1.00 10.00 C ATOM 639 O VAL A 43 -2.296 4.705 -3.093 1.00 10.00 O ATOM 640 CB VAL A 43 -3.205 1.832 -2.031 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.744 1.648 -2.445 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.251 2.008 -0.508 1.00 10.00 C ATOM 0 H VAL A 43 -2.957 2.785 -4.616 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.949 2.976 -2.428 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.765 0.942 -2.316 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.306 0.827 -1.878 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.693 1.421 -3.510 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.190 2.565 -2.243 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.735 1.175 -0.030 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.762 2.943 -0.235 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.289 2.031 -0.176 1.00 10.00 H new ATOM 652 N THR A 44 -3.898 5.055 -1.527 1.00 10.00 N ATOM 653 CA THR A 44 -3.422 6.340 -1.042 1.00 10.00 C ATOM 654 C THR A 44 -2.838 6.112 0.351 1.00 10.00 C ATOM 655 O THR A 44 -3.586 5.965 1.315 1.00 10.00 O ATOM 656 CB THR A 44 -4.584 7.344 -1.021 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.275 7.304 -2.256 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.089 8.771 -0.766 1.00 10.00 C ATOM 0 H THR A 44 -4.753 4.746 -1.064 1.00 10.00 H new ATOM 0 HA THR A 44 -2.652 6.756 -1.691 1.00 10.00 H new ATOM 0 HB THR A 44 -5.253 7.062 -0.208 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.016 7.945 -2.237 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.938 9.455 -0.758 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.580 8.813 0.197 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.396 9.062 -1.556 1.00 10.00 H new ATOM 666 N VAL A 45 -1.512 6.028 0.458 1.00 10.00 N ATOM 667 CA VAL A 45 -0.828 5.750 1.710 1.00 10.00 C ATOM 668 C VAL A 45 -0.476 7.073 2.374 1.00 10.00 C ATOM 669 O VAL A 45 0.163 7.918 1.755 1.00 10.00 O ATOM 670 CB VAL A 45 0.416 4.890 1.454 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.140 4.523 2.757 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.015 3.601 0.746 1.00 10.00 C ATOM 0 H VAL A 45 -0.881 6.153 -0.333 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.475 5.184 2.380 1.00 10.00 H new ATOM 0 HB VAL A 45 1.106 5.467 0.839 1.00 10.00 H new ATOM 0 HG11 VAL A 45 2.015 3.914 2.528 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.455 5.433 3.267 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.465 3.961 3.402 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.860 2.979 0.558 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.718 3.057 1.377 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.495 3.849 -0.201 1.00 10.00 H new ATOM 682 N GLU A 46 -0.873 7.236 3.635 1.00 10.00 N ATOM 683 CA GLU A 46 -0.453 8.341 4.470 1.00 10.00 C ATOM 684 C GLU A 46 0.625 7.817 5.424 1.00 10.00 C ATOM 685 O GLU A 46 0.387 6.843 6.140 1.00 10.00 O ATOM 686 CB GLU A 46 -1.664 8.903 5.223 1.00 10.00 C ATOM 687 CG GLU A 46 -1.345 10.301 5.763 1.00 10.00 C ATOM 688 CD GLU A 46 -2.337 10.800 6.805 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.195 9.991 7.226 1.00 10.00 O ATOM 690 OE2 GLU A 46 -2.187 11.985 7.179 1.00 10.00 O ATOM 0 H GLU A 46 -1.506 6.589 4.105 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.038 9.156 3.878 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.526 8.949 4.558 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.931 8.239 6.045 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -0.347 10.292 6.201 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -1.322 11.005 4.931 1.00 10.00 H new ATOM 697 N TYR A 47 1.804 8.442 5.451 1.00 10.00 N ATOM 698 CA TYR A 47 2.890 8.097 6.368 1.00 10.00 C ATOM 699 C TYR A 47 3.778 9.324 6.548 1.00 10.00 C ATOM 700 O TYR A 47 3.385 10.412 6.138 1.00 10.00 O ATOM 701 CB TYR A 47 3.670 6.866 5.870 1.00 10.00 C ATOM 702 CG TYR A 47 4.475 7.042 4.594 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.840 7.059 3.339 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.879 7.111 4.656 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.603 7.197 2.168 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.629 7.350 3.495 1.00 10.00 C ATOM 707 CZ TYR A 47 5.986 7.416 2.252 1.00 10.00 C ATOM 708 OH TYR A 47 6.687 7.769 1.143 1.00 10.00 O ATOM 0 H TYR A 47 2.034 9.214 4.826 1.00 10.00 H new ATOM 0 HA TYR A 47 2.486 7.815 7.340 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.350 6.551 6.661 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.961 6.053 5.716 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.766 6.966 3.276 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.382 6.979 5.603 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.124 7.134 1.202 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.699 7.483 3.559 1.00 10.00 H new ATOM 0 HH TYR A 47 6.529 8.715 0.944 1.00 10.00 H new ATOM 718 N ASN A 48 4.958 9.185 7.156 1.00 10.00 N ATOM 719 CA ASN A 48 5.993 10.192 7.129 1.00 10.00 C ATOM 720 C ASN A 48 7.316 9.574 6.659 1.00 10.00 C ATOM 721 O ASN A 48 7.652 8.467 7.082 1.00 10.00 O ATOM 722 CB ASN A 48 6.100 10.848 8.503 1.00 10.00 C ATOM 723 CG ASN A 48 6.418 9.940 9.692 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.392 9.195 9.693 1.00 10.00 O ATOM 725 ND2 ASN A 48 5.634 10.057 10.760 1.00 10.00 N ATOM 0 H ASN A 48 5.214 8.352 7.686 1.00 10.00 H new ATOM 0 HA ASN A 48 5.741 10.975 6.414 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.871 11.617 8.450 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.157 11.355 8.709 1.00 10.00 H new ATOM 0 HD21 ASN A 48 5.838 9.521 11.603 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.829 10.683 10.736 1.00 10.00 H new ATOM 732 N PRO A 49 8.075 10.257 5.784 1.00 10.00 N ATOM 733 CA PRO A 49 9.353 9.774 5.288 1.00 10.00 C ATOM 734 C PRO A 49 10.401 9.940 6.390 1.00 10.00 C ATOM 735 O PRO A 49 11.238 10.843 6.358 1.00 10.00 O ATOM 736 CB PRO A 49 9.646 10.617 4.044 1.00 10.00 C ATOM 737 CG PRO A 49 8.997 11.956 4.387 1.00 10.00 C ATOM 738 CD PRO A 49 7.748 11.529 5.159 1.00 10.00 C ATOM 0 HA PRO A 49 9.356 8.717 5.022 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.717 10.719 3.867 1.00 10.00 H new ATOM 0 HB3 PRO A 49 9.215 10.176 3.145 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.653 12.582 4.991 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.746 12.527 3.493 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.479 12.274 5.908 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.893 11.426 4.491 1.00 10.00 H new ATOM 746 N LYS A 50 10.319 9.080 7.403 1.00 10.00 N ATOM 747 CA LYS A 50 11.259 9.035 8.505 1.00 10.00 C ATOM 748 C LYS A 50 11.328 7.604 9.027 1.00 10.00 C ATOM 749 O LYS A 50 12.399 7.003 9.043 1.00 10.00 O ATOM 750 CB LYS A 50 10.818 10.025 9.596 1.00 10.00 C ATOM 751 CG LYS A 50 11.969 10.336 10.565 1.00 10.00 C ATOM 752 CD LYS A 50 12.911 11.419 10.010 1.00 10.00 C ATOM 753 CE LYS A 50 12.552 12.827 10.506 1.00 10.00 C ATOM 754 NZ LYS A 50 11.162 13.202 10.178 1.00 10.00 N ATOM 0 H LYS A 50 9.578 8.382 7.476 1.00 10.00 H new ATOM 0 HA LYS A 50 12.256 9.330 8.179 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.470 10.948 9.133 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.976 9.609 10.149 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.560 10.666 11.520 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.537 9.426 10.758 1.00 10.00 H new ATOM 0 HD2 LYS A 50 13.936 11.187 10.300 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.876 11.402 8.921 1.00 10.00 H new ATOM 0 HE2 LYS A 50 12.693 12.876 11.586 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.235 13.551 10.062 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 10.989 14.184 10.473 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 11.012 13.117 9.152 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 10.505 12.570 10.678 1.00 10.00 H new ATOM 768 N GLU A 51 10.178 7.079 9.451 1.00 10.00 N ATOM 769 CA GLU A 51 10.072 5.759 10.048 1.00 10.00 C ATOM 770 C GLU A 51 9.869 4.722 8.941 1.00 10.00 C ATOM 771 O GLU A 51 10.455 3.644 8.969 1.00 10.00 O ATOM 772 CB GLU A 51 8.880 5.775 11.011 1.00 10.00 C ATOM 773 CG GLU A 51 9.048 6.774 12.168 1.00 10.00 C ATOM 774 CD GLU A 51 9.935 6.227 13.278 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.404 5.429 14.078 1.00 10.00 O ATOM 776 OE2 GLU A 51 11.116 6.637 13.316 1.00 10.00 O ATOM 0 H GLU A 51 9.286 7.569 9.386 1.00 10.00 H new ATOM 0 HA GLU A 51 10.978 5.498 10.595 1.00 10.00 H new ATOM 0 HB2 GLU A 51 7.976 6.022 10.455 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.739 4.775 11.421 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.477 7.700 11.786 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.068 7.021 12.577 1.00 10.00 H new ATOM 783 N ALA A 52 9.028 5.070 7.962 1.00 10.00 N ATOM 784 CA ALA A 52 8.636 4.238 6.841 1.00 10.00 C ATOM 785 C ALA A 52 9.031 4.951 5.549 1.00 10.00 C ATOM 786 O ALA A 52 9.267 6.158 5.556 1.00 10.00 O ATOM 787 CB ALA A 52 7.123 4.042 6.920 1.00 10.00 C ATOM 0 H ALA A 52 8.585 5.988 7.937 1.00 10.00 H new ATOM 0 HA ALA A 52 9.128 3.266 6.863 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.793 3.419 6.089 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.868 3.556 7.862 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.627 5.011 6.866 1.00 10.00 H new ATOM 793 N SER A 53 9.110 4.206 4.443 1.00 10.00 N ATOM 794 CA SER A 53 9.397 4.736 3.116 1.00 10.00 C ATOM 795 C SER A 53 8.599 3.958 2.075 1.00 10.00 C ATOM 796 O SER A 53 8.191 2.821 2.315 1.00 10.00 O ATOM 797 CB SER A 53 10.890 4.622 2.792 1.00 10.00 C ATOM 798 OG SER A 53 11.689 5.190 3.808 1.00 10.00 O ATOM 0 H SER A 53 8.972 3.195 4.450 1.00 10.00 H new ATOM 0 HA SER A 53 9.115 5.789 3.098 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.156 3.573 2.664 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.096 5.121 1.845 1.00 10.00 H new ATOM 0 HG SER A 53 12.635 5.099 3.570 1.00 10.00 H new ATOM 804 N VAL A 54 8.441 4.553 0.893 1.00 10.00 N ATOM 805 CA VAL A 54 7.740 3.946 -0.226 1.00 10.00 C ATOM 806 C VAL A 54 8.401 2.619 -0.621 1.00 10.00 C ATOM 807 O VAL A 54 7.727 1.604 -0.755 1.00 10.00 O ATOM 808 CB VAL A 54 7.572 4.966 -1.363 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.891 5.532 -1.910 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.751 4.387 -2.520 1.00 10.00 C ATOM 0 H VAL A 54 8.804 5.484 0.688 1.00 10.00 H new ATOM 0 HA VAL A 54 6.725 3.673 0.061 1.00 10.00 H new ATOM 0 HB VAL A 54 7.038 5.798 -0.904 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.679 6.243 -2.708 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.430 6.037 -1.109 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.501 4.718 -2.302 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.652 5.135 -3.306 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.255 3.506 -2.919 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.761 4.107 -2.159 1.00 10.00 H new ATOM 820 N SER A 55 9.729 2.597 -0.747 1.00 10.00 N ATOM 821 CA SER A 55 10.481 1.381 -1.036 1.00 10.00 C ATOM 822 C SER A 55 10.273 0.288 0.020 1.00 10.00 C ATOM 823 O SER A 55 10.263 -0.894 -0.318 1.00 10.00 O ATOM 824 CB SER A 55 11.963 1.740 -1.156 1.00 10.00 C ATOM 825 OG SER A 55 12.102 2.838 -2.039 1.00 10.00 O ATOM 0 H SER A 55 10.313 3.428 -0.650 1.00 10.00 H new ATOM 0 HA SER A 55 10.112 0.968 -1.975 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.370 1.991 -0.176 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.529 0.885 -1.527 1.00 10.00 H new ATOM 0 HG SER A 55 13.049 3.075 -2.120 1.00 10.00 H new ATOM 831 N ASP A 56 10.130 0.673 1.292 1.00 10.00 N ATOM 832 CA ASP A 56 9.972 -0.270 2.391 1.00 10.00 C ATOM 833 C ASP A 56 8.621 -0.966 2.230 1.00 10.00 C ATOM 834 O ASP A 56 8.547 -2.173 1.982 1.00 10.00 O ATOM 835 CB ASP A 56 10.094 0.492 3.720 1.00 10.00 C ATOM 836 CG ASP A 56 9.958 -0.400 4.947 1.00 10.00 C ATOM 837 OD1 ASP A 56 9.045 -1.253 4.948 1.00 10.00 O ATOM 838 OD2 ASP A 56 10.751 -0.177 5.884 1.00 10.00 O ATOM 0 H ASP A 56 10.121 1.650 1.584 1.00 10.00 H new ATOM 0 HA ASP A 56 10.747 -1.036 2.385 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.060 0.997 3.753 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.328 1.267 3.757 1.00 10.00 H new ATOM 843 N LEU A 57 7.549 -0.168 2.262 1.00 10.00 N ATOM 844 CA LEU A 57 6.203 -0.679 2.069 1.00 10.00 C ATOM 845 C LEU A 57 6.095 -1.465 0.767 1.00 10.00 C ATOM 846 O LEU A 57 5.378 -2.463 0.723 1.00 10.00 O ATOM 847 CB LEU A 57 5.150 0.423 2.239 1.00 10.00 C ATOM 848 CG LEU A 57 5.206 1.576 1.241 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.490 1.258 -0.074 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.564 2.808 1.886 1.00 10.00 C ATOM 0 H LEU A 57 7.596 0.838 2.421 1.00 10.00 H new ATOM 0 HA LEU A 57 5.984 -1.397 2.859 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.163 -0.035 2.176 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.247 0.836 3.243 1.00 10.00 H new ATOM 0 HG LEU A 57 6.253 1.756 0.996 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.563 2.114 -0.744 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.956 0.391 -0.542 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.440 1.042 0.126 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.595 3.643 1.186 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.528 2.587 2.141 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.112 3.072 2.791 1.00 10.00 H new ATOM 862 N LYS A 58 6.833 -1.057 -0.275 1.00 10.00 N ATOM 863 CA LYS A 58 6.890 -1.799 -1.523 1.00 10.00 C ATOM 864 C LYS A 58 7.189 -3.278 -1.234 1.00 10.00 C ATOM 865 O LYS A 58 6.472 -4.156 -1.710 1.00 10.00 O ATOM 866 CB LYS A 58 7.929 -1.185 -2.475 1.00 10.00 C ATOM 867 CG LYS A 58 7.558 -1.337 -3.953 1.00 10.00 C ATOM 868 CD LYS A 58 7.322 -2.812 -4.277 1.00 10.00 C ATOM 869 CE LYS A 58 7.624 -3.174 -5.736 1.00 10.00 C ATOM 870 NZ LYS A 58 8.063 -4.576 -5.862 1.00 10.00 N ATOM 0 H LYS A 58 7.400 -0.209 -0.268 1.00 10.00 H new ATOM 0 HA LYS A 58 5.922 -1.738 -2.021 1.00 10.00 H new ATOM 0 HB2 LYS A 58 8.044 -0.126 -2.243 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.896 -1.656 -2.300 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.661 -0.758 -4.174 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.356 -0.940 -4.581 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.944 -3.423 -3.623 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.285 -3.063 -4.056 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.734 -3.014 -6.344 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.398 -2.512 -6.124 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.616 -4.689 -6.735 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.652 -4.830 -5.044 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.231 -5.199 -5.896 1.00 10.00 H new ATOM 884 N GLU A 59 8.245 -3.562 -0.467 1.00 10.00 N ATOM 885 CA GLU A 59 8.591 -4.941 -0.147 1.00 10.00 C ATOM 886 C GLU A 59 7.429 -5.612 0.589 1.00 10.00 C ATOM 887 O GLU A 59 7.088 -6.757 0.312 1.00 10.00 O ATOM 888 CB GLU A 59 9.877 -5.011 0.691 1.00 10.00 C ATOM 889 CG GLU A 59 10.515 -6.404 0.553 1.00 10.00 C ATOM 890 CD GLU A 59 11.218 -6.853 1.823 1.00 10.00 C ATOM 891 OE1 GLU A 59 10.486 -7.278 2.746 1.00 10.00 O ATOM 892 OE2 GLU A 59 12.464 -6.848 1.836 1.00 10.00 O ATOM 0 H GLU A 59 8.866 -2.861 -0.062 1.00 10.00 H new ATOM 0 HA GLU A 59 8.776 -5.475 -1.079 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.579 -4.245 0.361 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.651 -4.807 1.738 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.743 -7.129 0.294 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.231 -6.392 -0.269 1.00 10.00 H new ATOM 899 N ALA A 60 6.813 -4.888 1.523 1.00 10.00 N ATOM 900 CA ALA A 60 5.754 -5.383 2.389 1.00 10.00 C ATOM 901 C ALA A 60 4.531 -5.808 1.578 1.00 10.00 C ATOM 902 O ALA A 60 3.917 -6.827 1.890 1.00 10.00 O ATOM 903 CB ALA A 60 5.384 -4.332 3.442 1.00 10.00 C ATOM 0 H ALA A 60 7.048 -3.911 1.700 1.00 10.00 H new ATOM 0 HA ALA A 60 6.125 -6.267 2.908 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.590 -4.720 4.080 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.259 -4.102 4.050 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.039 -3.425 2.945 1.00 10.00 H new ATOM 909 N VAL A 61 4.164 -5.038 0.548 1.00 10.00 N ATOM 910 CA VAL A 61 3.059 -5.396 -0.315 1.00 10.00 C ATOM 911 C VAL A 61 3.465 -6.488 -1.298 1.00 10.00 C ATOM 912 O VAL A 61 2.741 -7.468 -1.451 1.00 10.00 O ATOM 913 CB VAL A 61 2.502 -4.155 -1.008 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.955 -3.169 0.034 1.00 10.00 C ATOM 915 CG2 VAL A 61 3.471 -3.430 -1.938 1.00 10.00 C ATOM 0 H VAL A 61 4.625 -4.162 0.300 1.00 10.00 H new ATOM 0 HA VAL A 61 2.255 -5.812 0.292 1.00 10.00 H new ATOM 0 HB VAL A 61 1.708 -4.530 -1.654 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.560 -2.288 -0.471 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.159 -3.647 0.605 1.00 10.00 H new ATOM 0 HG13 VAL A 61 2.757 -2.871 0.709 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.975 -2.565 -2.378 1.00 10.00 H new ATOM 0 HG22 VAL A 61 4.341 -3.100 -1.371 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.790 -4.107 -2.731 1.00 10.00 H new ATOM 925 N ASP A 62 4.630 -6.352 -1.935 1.00 10.00 N ATOM 926 CA ASP A 62 5.154 -7.382 -2.835 1.00 10.00 C ATOM 927 C ASP A 62 5.182 -8.736 -2.113 1.00 10.00 C ATOM 928 O ASP A 62 4.800 -9.749 -2.692 1.00 10.00 O ATOM 929 CB ASP A 62 6.522 -6.978 -3.412 1.00 10.00 C ATOM 930 CG ASP A 62 6.768 -7.547 -4.806 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.107 -8.734 -4.968 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.698 -6.752 -5.774 1.00 10.00 O ATOM 0 H ASP A 62 5.232 -5.533 -1.843 1.00 10.00 H new ATOM 0 HA ASP A 62 4.490 -7.483 -3.693 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.587 -5.891 -3.452 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.310 -7.320 -2.741 1.00 10.00 H new ATOM 937 N LYS A 63 5.528 -8.738 -0.815 1.00 10.00 N ATOM 938 CA LYS A 63 5.455 -9.916 0.048 1.00 10.00 C ATOM 939 C LYS A 63 4.111 -10.658 -0.053 1.00 10.00 C ATOM 940 O LYS A 63 4.082 -11.880 0.072 1.00 10.00 O ATOM 941 CB LYS A 63 5.748 -9.524 1.512 1.00 10.00 C ATOM 942 CG LYS A 63 7.016 -10.175 2.084 1.00 10.00 C ATOM 943 CD LYS A 63 8.276 -9.562 1.454 1.00 10.00 C ATOM 944 CE LYS A 63 9.574 -10.259 1.893 1.00 10.00 C ATOM 945 NZ LYS A 63 10.032 -9.812 3.225 1.00 10.00 N ATOM 0 H LYS A 63 5.871 -7.906 -0.334 1.00 10.00 H new ATOM 0 HA LYS A 63 6.218 -10.611 -0.304 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.846 -8.440 1.576 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.896 -9.804 2.131 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.043 -10.041 3.165 1.00 10.00 H new ATOM 0 HG3 LYS A 63 6.995 -11.248 1.896 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.193 -9.613 0.368 1.00 10.00 H new ATOM 0 HD3 LYS A 63 8.330 -8.506 1.720 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.416 -11.337 1.909 1.00 10.00 H new ATOM 0 HE3 LYS A 63 10.355 -10.062 1.159 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.968 -10.219 3.425 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.095 -8.774 3.240 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 9.355 -10.128 3.949 1.00 10.00 H new ATOM 959 N LEU A 64 2.999 -9.938 -0.238 1.00 10.00 N ATOM 960 CA LEU A 64 1.673 -10.533 -0.372 1.00 10.00 C ATOM 961 C LEU A 64 1.503 -11.221 -1.731 1.00 10.00 C ATOM 962 O LEU A 64 0.751 -12.188 -1.823 1.00 10.00 O ATOM 963 CB LEU A 64 0.586 -9.469 -0.170 1.00 10.00 C ATOM 964 CG LEU A 64 0.582 -8.858 1.241 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.197 -7.541 1.226 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.075 -9.809 2.252 1.00 10.00 C ATOM 0 H LEU A 64 2.998 -8.920 -0.299 1.00 10.00 H new ATOM 0 HA LEU A 64 1.569 -11.294 0.402 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.727 -8.673 -0.902 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.389 -9.915 -0.367 1.00 10.00 H new ATOM 0 HG LEU A 64 1.616 -8.685 1.539 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.200 -7.108 2.226 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.276 -6.847 0.532 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.223 -7.729 0.909 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.064 -9.352 3.241 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.105 -10.003 1.953 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.477 -10.748 2.280 1.00 10.00 H new ATOM 978 N GLY A 65 2.176 -10.735 -2.782 1.00 10.00 N ATOM 979 CA GLY A 65 2.212 -11.381 -4.089 1.00 10.00 C ATOM 980 C GLY A 65 2.046 -10.367 -5.218 1.00 10.00 C ATOM 981 O GLY A 65 2.900 -10.257 -6.097 1.00 10.00 O ATOM 0 H GLY A 65 2.716 -9.871 -2.742 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.158 -11.909 -4.209 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.420 -12.127 -4.149 1.00 10.00 H new ATOM 985 N TYR A 66 0.922 -9.645 -5.210 1.00 10.00 N ATOM 986 CA TYR A 66 0.638 -8.612 -6.203 1.00 10.00 C ATOM 987 C TYR A 66 1.662 -7.482 -6.119 1.00 10.00 C ATOM 988 O TYR A 66 2.332 -7.316 -5.100 1.00 10.00 O ATOM 989 CB TYR A 66 -0.799 -8.087 -6.068 1.00 10.00 C ATOM 990 CG TYR A 66 -1.377 -8.108 -4.670 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.819 -7.297 -3.666 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.383 -9.038 -4.348 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.271 -7.419 -2.343 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.835 -9.151 -3.024 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.305 -8.317 -2.031 1.00 10.00 C ATOM 996 OH TYR A 66 -2.781 -8.402 -0.760 1.00 10.00 O ATOM 0 H TYR A 66 0.185 -9.762 -4.514 1.00 10.00 H new ATOM 0 HA TYR A 66 0.723 -9.062 -7.192 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.828 -7.062 -6.438 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.445 -8.678 -6.717 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.046 -6.584 -3.912 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.807 -9.664 -5.119 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.823 -6.821 -1.563 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.591 -9.880 -2.771 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.603 -7.874 -0.682 1.00 10.00 H new ATOM 1006 N LYS A 67 1.790 -6.711 -7.203 1.00 10.00 N ATOM 1007 CA LYS A 67 2.813 -5.681 -7.323 1.00 10.00 C ATOM 1008 C LYS A 67 2.211 -4.296 -7.153 1.00 10.00 C ATOM 1009 O LYS A 67 1.002 -4.114 -7.281 1.00 10.00 O ATOM 1010 CB LYS A 67 3.602 -5.851 -8.631 1.00 10.00 C ATOM 1011 CG LYS A 67 4.921 -6.534 -8.278 1.00 10.00 C ATOM 1012 CD LYS A 67 5.731 -6.993 -9.493 1.00 10.00 C ATOM 1013 CE LYS A 67 7.136 -7.461 -9.069 1.00 10.00 C ATOM 1014 NZ LYS A 67 7.118 -8.350 -7.880 1.00 10.00 N ATOM 0 H LYS A 67 1.184 -6.788 -8.020 1.00 10.00 H new ATOM 0 HA LYS A 67 3.534 -5.796 -6.514 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.038 -6.450 -9.345 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.783 -4.884 -9.099 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.528 -5.846 -7.689 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.713 -7.397 -7.646 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.209 -7.806 -9.998 1.00 10.00 H new ATOM 0 HD3 LYS A 67 5.816 -6.176 -10.209 1.00 10.00 H new ATOM 0 HE2 LYS A 67 7.604 -7.986 -9.901 1.00 10.00 H new ATOM 0 HE3 LYS A 67 7.754 -6.589 -8.854 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 8.089 -8.646 -7.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.713 -7.838 -7.070 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 6.539 -9.190 -8.083 1.00 10.00 H new ATOM 1028 N LEU A 68 3.082 -3.341 -6.818 1.00 10.00 N ATOM 1029 CA LEU A 68 2.757 -1.984 -6.448 1.00 10.00 C ATOM 1030 C LEU A 68 3.875 -1.108 -6.994 1.00 10.00 C ATOM 1031 O LEU A 68 5.013 -1.567 -7.103 1.00 10.00 O ATOM 1032 CB LEU A 68 2.692 -1.882 -4.921 1.00 10.00 C ATOM 1033 CG LEU A 68 2.216 -0.517 -4.400 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.162 -0.658 -3.294 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.422 0.264 -3.854 1.00 10.00 C ATOM 0 H LEU A 68 4.087 -3.516 -6.800 1.00 10.00 H new ATOM 0 HA LEU A 68 1.793 -1.671 -6.849 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.022 -2.655 -4.545 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.681 -2.090 -4.512 1.00 10.00 H new ATOM 0 HG LEU A 68 1.756 0.016 -5.232 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.855 0.332 -2.956 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.296 -1.194 -3.683 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.585 -1.212 -2.456 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.090 1.234 -3.483 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.881 -0.298 -3.041 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.151 0.411 -4.651 1.00 10.00 H new ATOM 1047 N LYS A 69 3.562 0.137 -7.329 1.00 10.00 N ATOM 1048 CA LYS A 69 4.480 1.116 -7.869 1.00 10.00 C ATOM 1049 C LYS A 69 3.885 2.511 -7.697 1.00 10.00 C ATOM 1050 O LYS A 69 2.719 2.633 -7.342 1.00 10.00 O ATOM 1051 CB LYS A 69 4.792 0.775 -9.327 1.00 10.00 C ATOM 1052 CG LYS A 69 3.581 0.585 -10.259 1.00 10.00 C ATOM 1053 CD LYS A 69 3.301 1.804 -11.149 1.00 10.00 C ATOM 1054 CE LYS A 69 2.503 1.340 -12.379 1.00 10.00 C ATOM 1055 NZ LYS A 69 1.784 2.443 -13.044 1.00 10.00 N ATOM 0 H LYS A 69 2.616 0.503 -7.224 1.00 10.00 H new ATOM 0 HA LYS A 69 5.427 1.100 -7.330 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.418 1.568 -9.737 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.384 -0.140 -9.345 1.00 10.00 H new ATOM 0 HG2 LYS A 69 3.752 -0.286 -10.892 1.00 10.00 H new ATOM 0 HG3 LYS A 69 2.698 0.373 -9.657 1.00 10.00 H new ATOM 0 HD2 LYS A 69 2.739 2.556 -10.595 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.237 2.269 -11.459 1.00 10.00 H new ATOM 0 HE2 LYS A 69 3.182 0.873 -13.092 1.00 10.00 H new ATOM 0 HE3 LYS A 69 1.787 0.577 -12.075 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 1.362 2.098 -13.930 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 1.033 2.796 -12.417 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 2.449 3.214 -13.255 1.00 10.00 H new ATOM 1069 N LEU A 70 4.688 3.553 -7.914 1.00 10.00 N ATOM 1070 CA LEU A 70 4.304 4.934 -7.641 1.00 10.00 C ATOM 1071 C LEU A 70 3.205 5.428 -8.580 1.00 10.00 C ATOM 1072 O LEU A 70 3.106 4.988 -9.726 1.00 10.00 O ATOM 1073 CB LEU A 70 5.558 5.823 -7.622 1.00 10.00 C ATOM 1074 CG LEU A 70 5.358 7.350 -7.619 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.586 8.020 -6.990 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.198 7.924 -9.036 1.00 10.00 C ATOM 0 H LEU A 70 5.632 3.459 -8.288 1.00 10.00 H new ATOM 0 HA LEU A 70 3.853 4.990 -6.650 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.141 5.560 -6.739 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.163 5.567 -8.492 1.00 10.00 H new ATOM 0 HG LEU A 70 4.448 7.550 -7.053 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.448 9.101 -6.986 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.709 7.666 -5.966 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.474 7.769 -7.570 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.060 9.004 -8.978 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.091 7.703 -9.621 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.329 7.473 -9.516 1.00 10.00 H new ATOM 1088 N LYS A 71 2.391 6.354 -8.061 1.00 10.00 N ATOM 1089 CA LYS A 71 1.259 6.966 -8.753 1.00 10.00 C ATOM 1090 C LYS A 71 1.185 8.490 -8.584 1.00 10.00 C ATOM 1091 O LYS A 71 0.178 9.095 -8.935 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.049 6.264 -8.346 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.773 5.618 -9.527 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.473 6.669 -10.396 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.041 6.057 -11.684 1.00 10.00 C ATOM 1096 NZ LYS A 71 -3.220 5.202 -11.434 1.00 10.00 N ATOM 0 H LYS A 71 2.510 6.709 -7.112 1.00 10.00 H new ATOM 0 HA LYS A 71 1.414 6.818 -9.822 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.172 5.500 -7.601 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.712 6.989 -7.873 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -0.059 5.060 -10.133 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.507 4.901 -9.158 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.279 7.132 -9.827 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -0.767 7.460 -10.650 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.316 6.857 -12.372 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.266 5.467 -12.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.534 4.773 -12.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.968 4.451 -10.760 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.989 5.779 -11.038 1.00 10.00 H new ATOM 1110 N GLY A 72 2.267 9.120 -8.122 1.00 10.00 N ATOM 1111 CA GLY A 72 2.321 10.559 -7.918 1.00 10.00 C ATOM 1112 C GLY A 72 1.867 10.886 -6.500 1.00 10.00 C ATOM 1113 O GLY A 72 0.698 10.719 -6.156 1.00 10.00 O ATOM 0 H GLY A 72 3.133 8.638 -7.879 1.00 10.00 H new ATOM 0 HA2 GLY A 72 3.336 10.923 -8.080 1.00 10.00 H new ATOM 0 HA3 GLY A 72 1.682 11.064 -8.642 1.00 10.00 H new ATOM 1117 N GLU A 73 2.796 11.339 -5.663 1.00 10.00 N ATOM 1118 CA GLU A 73 2.573 11.629 -4.260 1.00 10.00 C ATOM 1119 C GLU A 73 1.808 12.946 -4.074 1.00 10.00 C ATOM 1120 O GLU A 73 2.297 13.891 -3.458 1.00 10.00 O ATOM 1121 CB GLU A 73 3.912 11.569 -3.496 1.00 10.00 C ATOM 1122 CG GLU A 73 5.058 12.386 -4.128 1.00 10.00 C ATOM 1123 CD GLU A 73 5.888 11.597 -5.139 1.00 10.00 C ATOM 1124 OE1 GLU A 73 5.398 11.452 -6.282 1.00 10.00 O ATOM 1125 OE2 GLU A 73 6.983 11.137 -4.754 1.00 10.00 O ATOM 0 H GLU A 73 3.756 11.519 -5.958 1.00 10.00 H new ATOM 0 HA GLU A 73 1.928 10.865 -3.827 1.00 10.00 H new ATOM 0 HB2 GLU A 73 3.749 11.925 -2.479 1.00 10.00 H new ATOM 0 HB3 GLU A 73 4.225 10.528 -3.423 1.00 10.00 H new ATOM 0 HG2 GLU A 73 4.638 13.263 -4.621 1.00 10.00 H new ATOM 0 HG3 GLU A 73 5.714 12.748 -3.336 1.00 10.00 H new ATOM 1132 N GLN A 74 0.590 13.009 -4.617 1.00 10.00 N ATOM 1133 CA GLN A 74 -0.268 14.179 -4.527 1.00 10.00 C ATOM 1134 C GLN A 74 -1.712 13.770 -4.829 1.00 10.00 C ATOM 1135 O GLN A 74 -2.201 13.911 -5.948 1.00 10.00 O ATOM 1136 CB GLN A 74 0.261 15.300 -5.443 1.00 10.00 C ATOM 1137 CG GLN A 74 0.314 16.629 -4.684 1.00 10.00 C ATOM 1138 CD GLN A 74 0.841 17.750 -5.571 1.00 10.00 C ATOM 1139 OE1 GLN A 74 2.045 17.956 -5.680 1.00 10.00 O ATOM 1140 NE2 GLN A 74 -0.053 18.496 -6.213 1.00 10.00 N ATOM 0 H GLN A 74 0.173 12.237 -5.136 1.00 10.00 H new ATOM 0 HA GLN A 74 -0.256 14.587 -3.516 1.00 10.00 H new ATOM 0 HB2 GLN A 74 1.255 15.042 -5.807 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -0.383 15.398 -6.317 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -0.682 16.885 -4.324 1.00 10.00 H new ATOM 0 HG3 GLN A 74 0.953 16.525 -3.807 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -1.049 18.304 -6.105 1.00 10.00 H new ATOM 0 HE22 GLN A 74 0.257 19.260 -6.813 1.00 10.00 H new ATOM 1149 N ASP A 75 -2.418 13.303 -3.801 1.00 10.00 N ATOM 1150 CA ASP A 75 -3.812 12.877 -3.824 1.00 10.00 C ATOM 1151 C ASP A 75 -4.750 14.091 -3.870 1.00 10.00 C ATOM 1152 O ASP A 75 -5.754 14.151 -3.161 1.00 10.00 O ATOM 1153 CB ASP A 75 -4.064 12.031 -2.562 1.00 10.00 C ATOM 1154 CG ASP A 75 -3.851 12.812 -1.265 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -2.916 13.647 -1.245 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -4.594 12.547 -0.295 1.00 10.00 O ATOM 0 H ASP A 75 -2.004 13.207 -2.874 1.00 10.00 H new ATOM 0 HA ASP A 75 -4.013 12.285 -4.717 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -5.085 11.649 -2.586 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -3.400 11.167 -2.572 1.00 10.00 H new ATOM 1161 N SER A 76 -4.421 15.090 -4.694 1.00 10.00 N ATOM 1162 CA SER A 76 -5.089 16.377 -4.720 1.00 10.00 C ATOM 1163 C SER A 76 -4.541 17.160 -5.917 1.00 10.00 C ATOM 1164 O SER A 76 -3.512 17.829 -5.812 1.00 10.00 O ATOM 1165 CB SER A 76 -4.869 17.119 -3.389 1.00 10.00 C ATOM 1166 OG SER A 76 -5.820 18.155 -3.237 1.00 10.00 O ATOM 0 H SER A 76 -3.664 15.016 -5.374 1.00 10.00 H new ATOM 0 HA SER A 76 -6.167 16.259 -4.833 1.00 10.00 H new ATOM 0 HB2 SER A 76 -4.949 16.419 -2.558 1.00 10.00 H new ATOM 0 HB3 SER A 76 -3.862 17.535 -3.360 1.00 10.00 H new ATOM 0 HG SER A 76 -5.668 18.616 -2.386 1.00 10.00 H new ATOM 1172 N ILE A 77 -5.206 17.030 -7.069 1.00 10.00 N ATOM 1173 CA ILE A 77 -4.855 17.729 -8.294 1.00 10.00 C ATOM 1174 C ILE A 77 -6.037 17.726 -9.270 1.00 10.00 C ATOM 1175 O ILE A 77 -6.453 18.789 -9.721 1.00 10.00 O ATOM 1176 CB ILE A 77 -3.542 17.178 -8.891 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -3.318 17.812 -10.271 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -3.484 15.643 -8.970 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -1.854 17.759 -10.714 1.00 10.00 C ATOM 0 H ILE A 77 -6.019 16.422 -7.171 1.00 10.00 H new ATOM 0 HA ILE A 77 -4.653 18.776 -8.069 1.00 10.00 H new ATOM 0 HB ILE A 77 -2.737 17.454 -8.210 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -3.935 17.297 -11.007 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -3.649 18.850 -10.248 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -2.531 15.337 -9.400 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -3.582 15.223 -7.969 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -4.298 15.280 -9.597 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -1.754 18.221 -11.696 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -1.237 18.298 -9.995 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -1.527 16.720 -10.767 1.00 10.00 H new ATOM 1191 N GLU A 78 -6.588 16.545 -9.579 1.00 10.00 N ATOM 1192 CA GLU A 78 -7.760 16.382 -10.436 1.00 10.00 C ATOM 1193 C GLU A 78 -7.548 17.056 -11.805 1.00 10.00 C ATOM 1194 O GLU A 78 -8.286 17.956 -12.205 1.00 10.00 O ATOM 1195 CB GLU A 78 -9.014 16.872 -9.688 1.00 10.00 C ATOM 1196 CG GLU A 78 -10.277 16.090 -10.081 1.00 10.00 C ATOM 1197 CD GLU A 78 -10.448 14.822 -9.249 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -9.487 14.024 -9.222 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -11.531 14.686 -8.643 1.00 10.00 O ATOM 0 H GLU A 78 -6.220 15.660 -9.230 1.00 10.00 H new ATOM 0 HA GLU A 78 -7.913 15.326 -10.660 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -8.852 16.779 -8.614 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -9.167 17.931 -9.896 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -11.152 16.727 -9.954 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -10.226 15.826 -11.137 1.00 10.00 H new ATOM 1206 N GLY A 79 -6.500 16.627 -12.516 1.00 10.00 N ATOM 1207 CA GLY A 79 -6.103 17.210 -13.791 1.00 10.00 C ATOM 1208 C GLY A 79 -6.928 16.686 -14.970 1.00 10.00 C ATOM 1209 O GLY A 79 -7.996 16.102 -14.796 1.00 10.00 O ATOM 0 H GLY A 79 -5.901 15.858 -12.215 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -6.205 18.294 -13.736 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -5.049 16.998 -13.969 1.00 10.00 H new ATOM 1213 N ARG A 80 -6.408 16.884 -16.184 1.00 10.00 N ATOM 1214 CA ARG A 80 -6.938 16.402 -17.445 1.00 10.00 C ATOM 1215 C ARG A 80 -5.754 16.431 -18.417 1.00 10.00 C ATOM 1216 O ARG A 80 -4.670 16.852 -17.960 1.00 10.00 O ATOM 1217 CB ARG A 80 -8.127 17.272 -17.910 1.00 10.00 C ATOM 1218 CG ARG A 80 -7.811 18.771 -18.118 1.00 10.00 C ATOM 1219 CD ARG A 80 -7.957 19.207 -19.586 1.00 10.00 C ATOM 1220 NE ARG A 80 -7.047 18.415 -20.419 1.00 10.00 N ATOM 1221 CZ ARG A 80 -7.201 18.027 -21.685 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -7.976 18.721 -22.524 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -6.562 16.920 -22.066 1.00 10.00 N ATOM 1224 OXT ARG A 80 -5.965 16.156 -19.624 1.00 10.00 O ATOM 0 H ARG A 80 -5.550 17.421 -16.311 1.00 10.00 H new ATOM 0 HA ARG A 80 -7.345 15.393 -17.372 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -8.508 16.865 -18.847 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -8.928 17.185 -17.175 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -8.478 19.369 -17.497 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -6.794 18.975 -17.782 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -8.986 19.068 -19.918 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -7.730 20.268 -19.687 1.00 10.00 H new ATOM 0 HE ARG A 80 -6.180 18.121 -19.970 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -8.458 19.559 -22.198 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -8.085 18.413 -23.490 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -5.985 16.409 -21.398 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -6.650 16.585 -23.025 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -8.191 -12.133 -3.159 1.00 10.00 CU