USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 CYS SG : rot 58:sc= 0.278 USER MOD Set 1.2: A 28 CYS SG : rot 180:sc= 0.262 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0721 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 173:sc= 0 (180deg=-0.0407) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= 1.14 (180deg=0.545) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00927 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0693) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -0.0127 (180deg=-0.168) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.042 56.772 -21.192 1.00 82.65 N ATOM 2 CA GLY A 1 21.301 55.356 -20.874 1.00 81.42 C ATOM 3 C GLY A 1 20.265 54.446 -21.499 1.00 80.43 C ATOM 4 O GLY A 1 19.568 54.847 -22.431 1.00 80.86 O ATOM 0 H1 GLY A 1 21.899 57.199 -21.597 1.00 82.65 H new ATOM 0 H2 GLY A 1 20.265 56.837 -21.880 1.00 82.65 H new ATOM 0 H3 GLY A 1 20.779 57.280 -20.324 1.00 82.65 H new ATOM 0 HA2 GLY A 1 22.293 55.078 -21.230 1.00 81.42 H new ATOM 0 HA3 GLY A 1 21.301 55.219 -19.793 1.00 81.42 H new ATOM 10 N SER A 2 20.131 53.220 -20.986 1.00 79.15 N ATOM 11 CA SER A 2 19.018 52.313 -21.324 1.00 78.13 C ATOM 12 C SER A 2 17.743 52.712 -20.567 1.00 77.56 C ATOM 13 O SER A 2 17.761 52.825 -19.336 1.00 77.13 O ATOM 14 CB SER A 2 19.372 50.856 -20.999 1.00 76.97 C ATOM 15 OG SER A 2 20.338 50.353 -21.908 1.00 76.90 O ATOM 0 H SER A 2 20.793 52.821 -20.320 1.00 79.15 H new ATOM 0 HA SER A 2 18.840 52.399 -22.396 1.00 78.13 H new ATOM 0 HB2 SER A 2 19.756 50.790 -19.981 1.00 76.97 H new ATOM 0 HB3 SER A 2 18.473 50.241 -21.041 1.00 76.97 H new ATOM 0 HG SER A 2 20.549 49.424 -21.680 1.00 76.90 H new ATOM 21 N PHE A 3 16.632 52.885 -21.289 1.00 77.57 N ATOM 22 CA PHE A 3 15.344 53.371 -20.763 1.00 77.24 C ATOM 23 C PHE A 3 14.401 52.249 -20.278 1.00 75.51 C ATOM 24 O PHE A 3 13.286 52.527 -19.832 1.00 75.37 O ATOM 25 CB PHE A 3 14.652 54.258 -21.810 1.00 78.48 C ATOM 26 CG PHE A 3 15.541 55.257 -22.525 1.00 79.89 C ATOM 27 CD1 PHE A 3 16.010 56.404 -21.862 1.00 80.79 C ATOM 28 CD2 PHE A 3 15.896 55.032 -23.867 1.00 80.37 C ATOM 29 CE1 PHE A 3 16.859 57.307 -22.527 1.00 82.13 C ATOM 30 CE2 PHE A 3 16.723 55.946 -24.538 1.00 81.72 C ATOM 31 CZ PHE A 3 17.223 57.073 -23.863 1.00 82.58 C ATOM 0 H PHE A 3 16.599 52.685 -22.289 1.00 77.57 H new ATOM 0 HA PHE A 3 15.574 53.959 -19.875 1.00 77.24 H new ATOM 0 HB2 PHE A 3 14.191 53.612 -22.557 1.00 78.48 H new ATOM 0 HB3 PHE A 3 13.846 54.804 -21.319 1.00 78.48 H new ATOM 0 HD1 PHE A 3 15.718 56.593 -20.840 1.00 80.79 H new ATOM 0 HD2 PHE A 3 15.532 54.155 -24.382 1.00 80.37 H new ATOM 0 HE1 PHE A 3 17.231 58.180 -22.011 1.00 82.13 H new ATOM 0 HE2 PHE A 3 16.976 55.783 -25.575 1.00 81.72 H new ATOM 0 HZ PHE A 3 17.886 57.758 -24.371 1.00 82.58 H new ATOM 41 N THR A 4 14.842 50.988 -20.343 1.00 74.25 N ATOM 42 CA THR A 4 14.228 49.834 -19.665 1.00 72.50 C ATOM 43 C THR A 4 15.284 48.969 -18.971 1.00 71.48 C ATOM 44 O THR A 4 16.403 48.806 -19.468 1.00 71.84 O ATOM 45 CB THR A 4 13.369 48.963 -20.603 1.00 71.73 C ATOM 46 OG1 THR A 4 14.069 48.621 -21.780 1.00 71.97 O ATOM 47 CG2 THR A 4 12.066 49.645 -21.004 1.00 72.21 C ATOM 0 H THR A 4 15.665 50.731 -20.888 1.00 74.25 H new ATOM 0 HA THR A 4 13.559 50.256 -18.915 1.00 72.50 H new ATOM 0 HB THR A 4 13.137 48.064 -20.033 1.00 71.73 H new ATOM 0 HG1 THR A 4 13.497 48.068 -22.352 1.00 71.97 H new ATOM 0 HG21 THR A 4 11.500 48.988 -21.664 1.00 72.21 H new ATOM 0 HG22 THR A 4 11.477 49.858 -20.112 1.00 72.21 H new ATOM 0 HG23 THR A 4 12.288 50.577 -21.523 1.00 72.21 H new ATOM 55 N MET A 5 14.927 48.391 -17.819 1.00 70.24 N ATOM 56 CA MET A 5 15.733 47.364 -17.147 1.00 69.10 C ATOM 57 C MET A 5 15.662 46.036 -17.930 1.00 67.56 C ATOM 58 O MET A 5 14.661 45.806 -18.619 1.00 67.05 O ATOM 59 CB MET A 5 15.307 47.231 -15.670 1.00 68.58 C ATOM 60 CG MET A 5 14.018 46.433 -15.430 1.00 68.51 C ATOM 61 SD MET A 5 13.499 46.338 -13.692 1.00 68.11 S ATOM 62 CE MET A 5 12.887 48.031 -13.434 1.00 69.68 C ATOM 0 H MET A 5 14.066 48.623 -17.323 1.00 70.24 H new ATOM 0 HA MET A 5 16.782 47.662 -17.138 1.00 69.10 H new ATOM 0 HB2 MET A 5 16.117 46.757 -15.116 1.00 68.58 H new ATOM 0 HB3 MET A 5 15.179 48.230 -15.254 1.00 68.58 H new ATOM 0 HG2 MET A 5 13.214 46.884 -16.011 1.00 68.51 H new ATOM 0 HG3 MET A 5 14.157 45.421 -15.810 1.00 68.51 H new ATOM 0 HE1 MET A 5 12.418 48.103 -12.453 1.00 69.68 H new ATOM 0 HE2 MET A 5 13.720 48.732 -13.490 1.00 69.68 H new ATOM 0 HE3 MET A 5 12.156 48.275 -14.205 1.00 69.68 H new ATOM 72 N PRO A 6 16.674 45.153 -17.854 1.00 66.88 N ATOM 73 CA PRO A 6 16.715 43.929 -18.661 1.00 65.59 C ATOM 74 C PRO A 6 15.580 42.936 -18.340 1.00 64.15 C ATOM 75 O PRO A 6 14.909 43.025 -17.304 1.00 64.06 O ATOM 76 CB PRO A 6 18.110 43.337 -18.428 1.00 65.53 C ATOM 77 CG PRO A 6 18.540 43.905 -17.078 1.00 66.16 C ATOM 78 CD PRO A 6 17.881 45.279 -17.049 1.00 67.44 C ATOM 0 HA PRO A 6 16.546 44.155 -19.714 1.00 65.59 H new ATOM 0 HB2 PRO A 6 18.082 42.248 -18.410 1.00 65.53 H new ATOM 0 HB3 PRO A 6 18.802 43.625 -19.219 1.00 65.53 H new ATOM 0 HG2 PRO A 6 18.202 43.279 -16.252 1.00 66.16 H new ATOM 0 HG3 PRO A 6 19.625 43.977 -16.999 1.00 66.16 H new ATOM 0 HD2 PRO A 6 17.642 45.577 -16.028 1.00 67.44 H new ATOM 0 HD3 PRO A 6 18.546 46.041 -17.456 1.00 67.44 H new ATOM 86 N GLY A 7 15.367 41.977 -19.243 1.00 63.11 N ATOM 87 CA GLY A 7 14.319 40.949 -19.164 1.00 61.81 C ATOM 88 C GLY A 7 13.299 40.965 -20.309 1.00 61.95 C ATOM 89 O GLY A 7 12.274 40.288 -20.210 1.00 61.09 O ATOM 0 H GLY A 7 15.940 41.889 -20.082 1.00 63.11 H new ATOM 0 HA2 GLY A 7 14.795 39.969 -19.137 1.00 61.81 H new ATOM 0 HA3 GLY A 7 13.785 41.070 -18.222 1.00 61.81 H new ATOM 93 N LEU A 8 13.551 41.723 -21.381 1.00 63.09 N ATOM 94 CA LEU A 8 12.686 41.836 -22.562 1.00 63.49 C ATOM 95 C LEU A 8 12.860 40.612 -23.484 1.00 62.43 C ATOM 96 O LEU A 8 13.491 40.684 -24.543 1.00 62.88 O ATOM 97 CB LEU A 8 12.920 43.179 -23.287 1.00 65.28 C ATOM 98 CG LEU A 8 12.368 44.456 -22.622 1.00 66.59 C ATOM 99 CD1 LEU A 8 10.889 44.353 -22.249 1.00 66.78 C ATOM 100 CD2 LEU A 8 13.159 44.891 -21.390 1.00 66.66 C ATOM 0 H LEU A 8 14.392 42.295 -21.454 1.00 63.09 H new ATOM 0 HA LEU A 8 11.644 41.837 -22.241 1.00 63.49 H new ATOM 0 HB2 LEU A 8 13.994 43.307 -23.419 1.00 65.28 H new ATOM 0 HB3 LEU A 8 12.483 43.103 -24.283 1.00 65.28 H new ATOM 0 HG LEU A 8 12.482 45.217 -23.394 1.00 66.59 H new ATOM 0 HD11 LEU A 8 10.565 45.285 -21.786 1.00 66.78 H new ATOM 0 HD12 LEU A 8 10.299 44.170 -23.147 1.00 66.78 H new ATOM 0 HD13 LEU A 8 10.747 43.531 -21.548 1.00 66.78 H new ATOM 0 HD21 LEU A 8 12.715 45.795 -20.973 1.00 66.66 H new ATOM 0 HD22 LEU A 8 13.135 44.097 -20.643 1.00 66.66 H new ATOM 0 HD23 LEU A 8 14.192 45.091 -21.673 1.00 66.66 H new ATOM 112 N VAL A 9 12.300 39.486 -23.040 1.00 61.07 N ATOM 113 CA VAL A 9 12.252 38.159 -23.644 1.00 59.90 C ATOM 114 C VAL A 9 10.943 37.502 -23.210 1.00 58.80 C ATOM 115 O VAL A 9 10.353 37.848 -22.183 1.00 58.62 O ATOM 116 CB VAL A 9 13.419 37.249 -23.191 1.00 59.21 C ATOM 117 CG1 VAL A 9 14.732 37.654 -23.868 1.00 60.16 C ATOM 118 CG2 VAL A 9 13.650 37.225 -21.673 1.00 58.66 C ATOM 0 H VAL A 9 11.813 39.486 -22.144 1.00 61.07 H new ATOM 0 HA VAL A 9 12.328 38.277 -24.725 1.00 59.90 H new ATOM 0 HB VAL A 9 13.115 36.247 -23.495 1.00 59.21 H new ATOM 0 HG11 VAL A 9 15.533 36.997 -23.530 1.00 60.16 H new ATOM 0 HG12 VAL A 9 14.625 37.569 -24.949 1.00 60.16 H new ATOM 0 HG13 VAL A 9 14.973 38.684 -23.607 1.00 60.16 H new ATOM 0 HG21 VAL A 9 14.485 36.564 -21.442 1.00 58.66 H new ATOM 0 HG22 VAL A 9 13.878 38.232 -21.324 1.00 58.66 H new ATOM 0 HG23 VAL A 9 12.751 36.862 -21.174 1.00 58.66 H new ATOM 128 N ASP A 10 10.531 36.504 -23.971 1.00 58.12 N ATOM 129 CA ASP A 10 9.529 35.509 -23.576 1.00 56.90 C ATOM 130 C ASP A 10 10.121 34.098 -23.435 1.00 55.42 C ATOM 131 O ASP A 10 10.904 33.629 -24.270 1.00 55.32 O ATOM 132 CB ASP A 10 8.295 35.552 -24.486 1.00 57.37 C ATOM 133 CG ASP A 10 8.554 35.119 -25.931 1.00 57.92 C ATOM 134 OD1 ASP A 10 8.951 35.974 -26.758 1.00 58.83 O ATOM 135 OD2 ASP A 10 8.267 33.948 -26.274 1.00 57.56 O ATOM 0 H ASP A 10 10.891 36.352 -24.913 1.00 58.12 H new ATOM 0 HA ASP A 10 9.187 35.783 -22.578 1.00 56.90 H new ATOM 0 HB2 ASP A 10 7.524 34.910 -24.061 1.00 57.37 H new ATOM 0 HB3 ASP A 10 7.898 36.567 -24.490 1.00 57.37 H new ATOM 140 N SER A 11 9.700 33.419 -22.366 1.00 54.33 N ATOM 141 CA SER A 11 10.159 32.103 -21.909 1.00 52.83 C ATOM 142 C SER A 11 11.658 32.044 -21.568 1.00 52.23 C ATOM 143 O SER A 11 12.400 33.024 -21.690 1.00 53.00 O ATOM 144 CB SER A 11 9.729 31.022 -22.914 1.00 52.86 C ATOM 145 OG SER A 11 9.679 29.742 -22.311 1.00 51.87 O ATOM 0 H SER A 11 8.979 33.800 -21.753 1.00 54.33 H new ATOM 0 HA SER A 11 9.670 31.903 -20.956 1.00 52.83 H new ATOM 0 HB2 SER A 11 8.749 31.272 -23.321 1.00 52.86 H new ATOM 0 HB3 SER A 11 10.427 31.004 -23.751 1.00 52.86 H new ATOM 0 HG SER A 11 9.401 29.078 -22.976 1.00 51.87 H new ATOM 151 N ASN A 12 12.109 30.874 -21.119 1.00 50.90 N ATOM 152 CA ASN A 12 13.508 30.546 -20.855 1.00 50.27 C ATOM 153 C ASN A 12 13.903 29.298 -21.680 1.00 49.45 C ATOM 154 O ASN A 12 13.166 28.307 -21.632 1.00 48.68 O ATOM 155 CB ASN A 12 13.734 30.409 -19.337 1.00 49.56 C ATOM 156 CG ASN A 12 12.890 29.337 -18.670 1.00 48.96 C ATOM 157 OD1 ASN A 12 13.318 28.204 -18.495 1.00 48.36 O ATOM 158 ND2 ASN A 12 11.692 29.650 -18.241 1.00 49.17 N ATOM 0 H ASN A 12 11.481 30.095 -20.921 1.00 50.90 H new ATOM 0 HA ASN A 12 14.172 31.348 -21.179 1.00 50.27 H new ATOM 0 HB2 ASN A 12 14.786 30.189 -19.157 1.00 49.56 H new ATOM 0 HB3 ASN A 12 13.523 31.367 -18.863 1.00 49.56 H new ATOM 0 HD21 ASN A 12 11.122 28.951 -17.764 1.00 49.17 H new ATOM 0 HD22 ASN A 12 11.329 30.593 -18.384 1.00 49.17 H new ATOM 165 N PRO A 13 15.014 29.315 -22.454 1.00 49.71 N ATOM 166 CA PRO A 13 15.336 28.236 -23.387 1.00 49.16 C ATOM 167 C PRO A 13 15.505 26.871 -22.715 1.00 47.69 C ATOM 168 O PRO A 13 16.084 26.781 -21.628 1.00 47.19 O ATOM 169 CB PRO A 13 16.613 28.660 -24.121 1.00 49.90 C ATOM 170 CG PRO A 13 16.553 30.181 -24.061 1.00 51.12 C ATOM 171 CD PRO A 13 15.914 30.436 -22.698 1.00 50.79 C ATOM 0 HA PRO A 13 14.503 28.095 -24.076 1.00 49.16 H new ATOM 0 HB2 PRO A 13 17.507 28.272 -23.633 1.00 49.90 H new ATOM 0 HB3 PRO A 13 16.628 28.297 -25.149 1.00 49.90 H new ATOM 0 HG2 PRO A 13 17.544 30.629 -24.134 1.00 51.12 H new ATOM 0 HG3 PRO A 13 15.955 30.595 -24.873 1.00 51.12 H new ATOM 0 HD2 PRO A 13 16.673 30.502 -21.919 1.00 50.79 H new ATOM 0 HD3 PRO A 13 15.370 31.380 -22.694 1.00 50.79 H new ATOM 179 N ALA A 14 15.053 25.826 -23.413 1.00 47.14 N ATOM 180 CA ALA A 14 15.051 24.416 -23.014 1.00 45.80 C ATOM 181 C ALA A 14 14.236 24.065 -21.737 1.00 44.34 C ATOM 182 O ALA A 14 14.146 24.862 -20.794 1.00 44.10 O ATOM 183 CB ALA A 14 16.493 23.890 -22.984 1.00 45.73 C ATOM 0 H ALA A 14 14.649 25.953 -24.341 1.00 47.14 H new ATOM 0 HA ALA A 14 14.489 23.884 -23.781 1.00 45.80 H new ATOM 0 HB1 ALA A 14 16.492 22.841 -22.687 1.00 45.73 H new ATOM 0 HB2 ALA A 14 16.936 23.986 -23.975 1.00 45.73 H new ATOM 0 HB3 ALA A 14 17.077 24.469 -22.268 1.00 45.73 H new ATOM 189 N PRO A 15 13.632 22.860 -21.671 1.00 43.42 N ATOM 190 CA PRO A 15 12.800 22.449 -20.540 1.00 42.13 C ATOM 191 C PRO A 15 13.616 22.193 -19.252 1.00 40.76 C ATOM 192 O PRO A 15 14.819 21.893 -19.326 1.00 40.59 O ATOM 193 CB PRO A 15 12.062 21.192 -21.018 1.00 41.79 C ATOM 194 CG PRO A 15 12.991 20.592 -22.070 1.00 42.34 C ATOM 195 CD PRO A 15 13.626 21.827 -22.703 1.00 43.70 C ATOM 0 HA PRO A 15 12.107 23.242 -20.257 1.00 42.13 H new ATOM 0 HB2 PRO A 15 11.887 20.496 -20.197 1.00 41.79 H new ATOM 0 HB3 PRO A 15 11.088 21.438 -21.440 1.00 41.79 H new ATOM 0 HG2 PRO A 15 13.739 19.937 -21.623 1.00 42.34 H new ATOM 0 HG3 PRO A 15 12.443 19.998 -22.802 1.00 42.34 H new ATOM 0 HD2 PRO A 15 14.639 21.612 -23.044 1.00 43.70 H new ATOM 0 HD3 PRO A 15 13.059 22.152 -23.575 1.00 43.70 H new ATOM 203 N PRO A 16 12.996 22.277 -18.058 1.00 39.86 N ATOM 204 CA PRO A 16 13.578 21.788 -16.802 1.00 38.52 C ATOM 205 C PRO A 16 13.668 20.248 -16.765 1.00 37.38 C ATOM 206 O PRO A 16 13.195 19.566 -17.677 1.00 37.56 O ATOM 207 CB PRO A 16 12.683 22.370 -15.702 1.00 38.19 C ATOM 208 CG PRO A 16 11.316 22.504 -16.372 1.00 38.91 C ATOM 209 CD PRO A 16 11.654 22.797 -17.831 1.00 40.18 C ATOM 0 HA PRO A 16 14.612 22.108 -16.674 1.00 38.52 H new ATOM 0 HB2 PRO A 16 12.639 21.713 -14.833 1.00 38.19 H new ATOM 0 HB3 PRO A 16 13.054 23.334 -15.354 1.00 38.19 H new ATOM 0 HG2 PRO A 16 10.730 21.590 -16.273 1.00 38.91 H new ATOM 0 HG3 PRO A 16 10.730 23.308 -15.928 1.00 38.91 H new ATOM 0 HD2 PRO A 16 10.936 22.321 -18.499 1.00 40.18 H new ATOM 0 HD3 PRO A 16 11.614 23.868 -18.031 1.00 40.18 H new ATOM 217 N GLU A 17 14.295 19.687 -15.727 1.00 36.33 N ATOM 218 CA GLU A 17 14.477 18.231 -15.550 1.00 35.31 C ATOM 219 C GLU A 17 14.494 17.824 -14.065 1.00 34.22 C ATOM 220 O GLU A 17 14.357 18.670 -13.178 1.00 34.27 O ATOM 221 CB GLU A 17 15.773 17.774 -16.258 1.00 35.42 C ATOM 222 CG GLU A 17 17.071 18.190 -15.542 1.00 35.33 C ATOM 223 CD GLU A 17 18.298 17.808 -16.376 1.00 35.75 C ATOM 224 OE1 GLU A 17 18.726 16.626 -16.364 1.00 35.39 O ATOM 225 OE2 GLU A 17 18.844 18.682 -17.092 1.00 36.58 O ATOM 0 H GLU A 17 14.700 20.236 -14.969 1.00 36.33 H new ATOM 0 HA GLU A 17 13.622 17.731 -16.005 1.00 35.31 H new ATOM 0 HB2 GLU A 17 15.757 16.688 -16.353 1.00 35.42 H new ATOM 0 HB3 GLU A 17 15.783 18.182 -17.269 1.00 35.42 H new ATOM 0 HG2 GLU A 17 17.066 19.266 -15.366 1.00 35.33 H new ATOM 0 HG3 GLU A 17 17.124 17.707 -14.566 1.00 35.33 H new ATOM 232 N SER A 18 14.715 16.540 -13.776 1.00 33.36 N ATOM 233 CA SER A 18 15.187 16.051 -12.470 1.00 32.41 C ATOM 234 C SER A 18 16.121 14.852 -12.637 1.00 31.68 C ATOM 235 O SER A 18 15.947 14.062 -13.568 1.00 31.73 O ATOM 236 CB SER A 18 14.009 15.702 -11.559 1.00 32.02 C ATOM 237 OG SER A 18 13.213 14.648 -12.085 1.00 32.02 O ATOM 0 H SER A 18 14.569 15.792 -14.454 1.00 33.36 H new ATOM 0 HA SER A 18 15.753 16.854 -11.997 1.00 32.41 H new ATOM 0 HB2 SER A 18 14.385 15.415 -10.577 1.00 32.02 H new ATOM 0 HB3 SER A 18 13.388 16.587 -11.417 1.00 32.02 H new ATOM 0 HG SER A 18 12.474 14.458 -11.470 1.00 32.02 H new ATOM 243 N GLN A 19 17.123 14.718 -11.762 1.00 31.17 N ATOM 244 CA GLN A 19 18.137 13.655 -11.850 1.00 30.66 C ATOM 245 C GLN A 19 18.828 13.239 -10.534 1.00 29.51 C ATOM 246 O GLN A 19 19.528 12.222 -10.519 1.00 29.46 O ATOM 247 CB GLN A 19 19.197 14.050 -12.891 1.00 31.99 C ATOM 248 CG GLN A 19 19.942 15.355 -12.573 1.00 32.64 C ATOM 249 CD GLN A 19 21.213 15.469 -13.402 1.00 33.55 C ATOM 250 OE1 GLN A 19 22.300 15.109 -12.961 1.00 33.43 O ATOM 251 NE2 GLN A 19 21.126 15.927 -14.632 1.00 34.61 N ATOM 0 H GLN A 19 17.257 15.345 -10.969 1.00 31.17 H new ATOM 0 HA GLN A 19 17.577 12.768 -12.144 1.00 30.66 H new ATOM 0 HB2 GLN A 19 19.924 13.242 -12.976 1.00 31.99 H new ATOM 0 HB3 GLN A 19 18.715 14.149 -13.864 1.00 31.99 H new ATOM 0 HG2 GLN A 19 19.293 16.207 -12.775 1.00 32.64 H new ATOM 0 HG3 GLN A 19 20.190 15.388 -11.512 1.00 32.64 H new ATOM 0 HE21 GLN A 19 20.224 16.227 -15.002 1.00 34.61 H new ATOM 0 HE22 GLN A 19 21.960 15.982 -15.216 1.00 34.61 H new ATOM 260 N GLU A 20 18.668 14.000 -9.453 1.00 28.69 N ATOM 261 CA GLU A 20 19.504 13.905 -8.243 1.00 27.81 C ATOM 262 C GLU A 20 19.080 12.773 -7.274 1.00 26.03 C ATOM 263 O GLU A 20 17.887 12.499 -7.086 1.00 25.46 O ATOM 264 CB GLU A 20 19.535 15.291 -7.565 1.00 28.26 C ATOM 265 CG GLU A 20 20.698 15.486 -6.582 1.00 28.38 C ATOM 266 CD GLU A 20 20.704 16.904 -5.996 1.00 28.76 C ATOM 267 OE1 GLU A 20 21.034 17.883 -6.710 1.00 29.75 O ATOM 268 OE2 GLU A 20 20.368 17.081 -4.800 1.00 28.22 O ATOM 0 H GLU A 20 17.943 14.714 -9.386 1.00 28.69 H new ATOM 0 HA GLU A 20 20.513 13.620 -8.543 1.00 27.81 H new ATOM 0 HB2 GLU A 20 19.594 16.059 -8.336 1.00 28.26 H new ATOM 0 HB3 GLU A 20 18.596 15.444 -7.034 1.00 28.26 H new ATOM 0 HG2 GLU A 20 20.620 14.758 -5.775 1.00 28.38 H new ATOM 0 HG3 GLU A 20 21.643 15.297 -7.092 1.00 28.38 H new ATOM 275 N LYS A 21 20.058 12.122 -6.628 1.00 25.27 N ATOM 276 CA LYS A 21 19.868 11.145 -5.532 1.00 23.64 C ATOM 277 C LYS A 21 19.747 11.841 -4.162 1.00 22.73 C ATOM 278 O LYS A 21 20.381 12.876 -3.943 1.00 23.43 O ATOM 279 CB LYS A 21 21.049 10.145 -5.517 1.00 23.70 C ATOM 280 CG LYS A 21 20.754 8.767 -6.131 1.00 23.27 C ATOM 281 CD LYS A 21 20.499 8.747 -7.645 1.00 24.43 C ATOM 282 CE LYS A 21 20.493 7.277 -8.094 1.00 24.29 C ATOM 283 NZ LYS A 21 20.150 7.106 -9.522 1.00 25.21 N ATOM 0 H LYS A 21 21.042 12.263 -6.859 1.00 25.27 H new ATOM 0 HA LYS A 21 18.935 10.611 -5.714 1.00 23.64 H new ATOM 0 HB2 LYS A 21 21.887 10.591 -6.053 1.00 23.70 H new ATOM 0 HB3 LYS A 21 21.370 10.003 -4.485 1.00 23.70 H new ATOM 0 HG2 LYS A 21 21.594 8.107 -5.915 1.00 23.27 H new ATOM 0 HG3 LYS A 21 19.882 8.347 -5.630 1.00 23.27 H new ATOM 0 HD2 LYS A 21 19.547 9.223 -7.880 1.00 24.43 H new ATOM 0 HD3 LYS A 21 21.273 9.305 -8.171 1.00 24.43 H new ATOM 0 HE2 LYS A 21 21.476 6.843 -7.908 1.00 24.29 H new ATOM 0 HE3 LYS A 21 19.779 6.721 -7.486 1.00 24.29 H new ATOM 0 HZ1 LYS A 21 20.163 6.094 -9.763 1.00 25.21 H new ATOM 0 HZ2 LYS A 21 19.201 7.492 -9.700 1.00 25.21 H new ATOM 0 HZ3 LYS A 21 20.845 7.611 -10.109 1.00 25.21 H new ATOM 297 N LYS A 22 18.995 11.261 -3.216 1.00 21.29 N ATOM 298 CA LYS A 22 18.851 11.741 -1.821 1.00 20.33 C ATOM 299 C LYS A 22 19.272 10.672 -0.787 1.00 18.99 C ATOM 300 O LYS A 22 19.021 9.483 -1.025 1.00 18.49 O ATOM 301 CB LYS A 22 17.393 12.162 -1.553 1.00 19.89 C ATOM 302 CG LYS A 22 16.835 13.348 -2.360 1.00 21.25 C ATOM 303 CD LYS A 22 17.386 14.725 -1.953 1.00 22.20 C ATOM 304 CE LYS A 22 18.650 15.100 -2.732 1.00 23.65 C ATOM 305 NZ LYS A 22 19.152 16.435 -2.352 1.00 24.75 N ATOM 0 H LYS A 22 18.450 10.418 -3.399 1.00 21.29 H new ATOM 0 HA LYS A 22 19.516 12.597 -1.708 1.00 20.33 H new ATOM 0 HB2 LYS A 22 16.754 11.299 -1.739 1.00 19.89 H new ATOM 0 HB3 LYS A 22 17.302 12.404 -0.494 1.00 19.89 H new ATOM 0 HG2 LYS A 22 17.051 13.184 -3.416 1.00 21.25 H new ATOM 0 HG3 LYS A 22 15.750 13.362 -2.255 1.00 21.25 H new ATOM 0 HD2 LYS A 22 16.621 15.483 -2.120 1.00 22.20 H new ATOM 0 HD3 LYS A 22 17.607 14.724 -0.886 1.00 22.20 H new ATOM 0 HE2 LYS A 22 19.424 14.355 -2.549 1.00 23.65 H new ATOM 0 HE3 LYS A 22 18.437 15.082 -3.801 1.00 23.65 H new ATOM 0 HZ1 LYS A 22 19.662 16.855 -3.155 1.00 24.75 H new ATOM 0 HZ2 LYS A 22 18.351 17.046 -2.093 1.00 24.75 H new ATOM 0 HZ3 LYS A 22 19.796 16.346 -1.541 1.00 24.75 H new ATOM 319 N PRO A 23 19.862 11.058 0.363 1.00 18.55 N ATOM 320 CA PRO A 23 20.232 10.131 1.439 1.00 17.42 C ATOM 321 C PRO A 23 19.015 9.597 2.219 1.00 15.93 C ATOM 322 O PRO A 23 17.897 10.116 2.105 1.00 15.75 O ATOM 323 CB PRO A 23 21.215 10.907 2.324 1.00 17.74 C ATOM 324 CG PRO A 23 20.784 12.359 2.146 1.00 18.58 C ATOM 325 CD PRO A 23 20.288 12.412 0.704 1.00 19.35 C ATOM 0 HA PRO A 23 20.690 9.227 1.039 1.00 17.42 H new ATOM 0 HB2 PRO A 23 21.150 10.594 3.366 1.00 17.74 H new ATOM 0 HB3 PRO A 23 22.247 10.753 2.008 1.00 17.74 H new ATOM 0 HG2 PRO A 23 19.999 12.633 2.850 1.00 18.58 H new ATOM 0 HG3 PRO A 23 21.614 13.047 2.310 1.00 18.58 H new ATOM 0 HD2 PRO A 23 19.462 13.116 0.603 1.00 19.35 H new ATOM 0 HD3 PRO A 23 21.078 12.751 0.034 1.00 19.35 H new ATOM 333 N LEU A 24 19.235 8.540 3.006 1.00 15.03 N ATOM 334 CA LEU A 24 18.192 7.699 3.602 1.00 13.66 C ATOM 335 C LEU A 24 17.422 8.408 4.731 1.00 12.90 C ATOM 336 O LEU A 24 18.015 9.088 5.575 1.00 13.25 O ATOM 337 CB LEU A 24 18.842 6.387 4.087 1.00 13.52 C ATOM 338 CG LEU A 24 17.868 5.260 4.478 1.00 12.82 C ATOM 339 CD1 LEU A 24 17.077 4.732 3.279 1.00 13.34 C ATOM 340 CD2 LEU A 24 18.652 4.094 5.077 1.00 12.99 C ATOM 0 H LEU A 24 20.176 8.236 3.254 1.00 15.03 H new ATOM 0 HA LEU A 24 17.442 7.482 2.842 1.00 13.66 H new ATOM 0 HB2 LEU A 24 19.499 6.017 3.300 1.00 13.52 H new ATOM 0 HB3 LEU A 24 19.471 6.612 4.948 1.00 13.52 H new ATOM 0 HG LEU A 24 17.166 5.680 5.198 1.00 12.82 H new ATOM 0 HD11 LEU A 24 16.405 3.939 3.607 1.00 13.34 H new ATOM 0 HD12 LEU A 24 16.495 5.543 2.841 1.00 13.34 H new ATOM 0 HD13 LEU A 24 17.767 4.337 2.533 1.00 13.34 H new ATOM 0 HD21 LEU A 24 17.963 3.296 5.354 1.00 12.99 H new ATOM 0 HD22 LEU A 24 19.365 3.719 4.342 1.00 12.99 H new ATOM 0 HD23 LEU A 24 19.189 4.433 5.963 1.00 12.99 H new ATOM 352 N LYS A 25 16.102 8.208 4.772 1.00 12.14 N ATOM 353 CA LYS A 25 15.203 8.689 5.839 1.00 11.49 C ATOM 354 C LYS A 25 15.317 7.865 7.142 1.00 10.18 C ATOM 355 O LYS A 25 15.688 6.689 7.075 1.00 9.76 O ATOM 356 CB LYS A 25 13.764 8.689 5.304 1.00 11.74 C ATOM 357 CG LYS A 25 13.543 9.811 4.275 1.00 13.29 C ATOM 358 CD LYS A 25 12.151 9.786 3.631 1.00 14.10 C ATOM 359 CE LYS A 25 11.012 9.755 4.655 1.00 13.89 C ATOM 360 NZ LYS A 25 9.694 9.733 3.987 1.00 15.00 N ATOM 0 H LYS A 25 15.609 7.692 4.044 1.00 12.14 H new ATOM 0 HA LYS A 25 15.503 9.702 6.108 1.00 11.49 H new ATOM 0 HB2 LYS A 25 13.546 7.725 4.845 1.00 11.74 H new ATOM 0 HB3 LYS A 25 13.067 8.812 6.133 1.00 11.74 H new ATOM 0 HG2 LYS A 25 13.692 10.775 4.762 1.00 13.29 H new ATOM 0 HG3 LYS A 25 14.298 9.730 3.493 1.00 13.29 H new ATOM 0 HD2 LYS A 25 12.036 10.664 2.996 1.00 14.10 H new ATOM 0 HD3 LYS A 25 12.073 8.912 2.984 1.00 14.10 H new ATOM 0 HE2 LYS A 25 11.115 8.876 5.291 1.00 13.89 H new ATOM 0 HE3 LYS A 25 11.079 10.628 5.304 1.00 13.89 H new ATOM 0 HZ1 LYS A 25 8.941 9.712 4.705 1.00 15.00 H new ATOM 0 HZ2 LYS A 25 9.588 10.584 3.399 1.00 15.00 H new ATOM 0 HZ3 LYS A 25 9.623 8.887 3.387 1.00 15.00 H new ATOM 374 N PRO A 26 14.995 8.437 8.321 1.00 9.90 N ATOM 375 CA PRO A 26 15.018 7.724 9.606 1.00 8.89 C ATOM 376 C PRO A 26 13.870 6.701 9.741 1.00 7.53 C ATOM 377 O PRO A 26 13.022 6.578 8.853 1.00 7.73 O ATOM 378 CB PRO A 26 14.928 8.834 10.662 1.00 9.54 C ATOM 379 CG PRO A 26 14.073 9.895 9.974 1.00 10.47 C ATOM 380 CD PRO A 26 14.557 9.816 8.528 1.00 10.93 C ATOM 0 HA PRO A 26 15.920 7.122 9.715 1.00 8.89 H new ATOM 0 HB2 PRO A 26 14.466 8.478 11.583 1.00 9.54 H new ATOM 0 HB3 PRO A 26 15.913 9.219 10.928 1.00 9.54 H new ATOM 0 HG2 PRO A 26 13.008 9.677 10.059 1.00 10.47 H new ATOM 0 HG3 PRO A 26 14.231 10.885 10.402 1.00 10.47 H new ATOM 0 HD2 PRO A 26 13.758 10.079 7.835 1.00 10.93 H new ATOM 0 HD3 PRO A 26 15.375 10.515 8.352 1.00 10.93 H new ATOM 388 N CYS A 27 13.822 5.976 10.861 1.00 6.63 N ATOM 389 CA CYS A 27 12.719 5.069 11.207 1.00 5.68 C ATOM 390 C CYS A 27 11.459 5.820 11.714 1.00 5.01 C ATOM 391 O CYS A 27 11.264 7.006 11.420 1.00 6.23 O ATOM 392 CB CYS A 27 13.267 4.003 12.175 1.00 5.83 C ATOM 393 SG CYS A 27 13.557 4.698 13.828 1.00 6.67 S ATOM 0 H CYS A 27 14.559 6.001 11.566 1.00 6.63 H new ATOM 0 HA CYS A 27 12.354 4.561 10.314 1.00 5.68 H new ATOM 0 HB2 CYS A 27 12.561 3.175 12.245 1.00 5.83 H new ATOM 0 HB3 CYS A 27 14.198 3.596 11.781 1.00 5.83 H new ATOM 0 HG CYS A 27 12.449 5.197 14.289 1.00 6.67 H new ATOM 399 N CYS A 28 10.584 5.133 12.463 1.00 3.66 N ATOM 400 CA CYS A 28 9.269 5.617 12.931 1.00 3.30 C ATOM 401 C CYS A 28 8.258 5.898 11.798 1.00 3.39 C ATOM 402 O CYS A 28 7.360 6.737 11.921 1.00 3.71 O ATOM 403 CB CYS A 28 9.424 6.761 13.949 1.00 3.95 C ATOM 404 SG CYS A 28 10.410 6.218 15.376 1.00 4.40 S ATOM 0 H CYS A 28 10.779 4.182 12.775 1.00 3.66 H new ATOM 0 HA CYS A 28 8.804 4.791 13.469 1.00 3.30 H new ATOM 0 HB2 CYS A 28 9.904 7.616 13.473 1.00 3.95 H new ATOM 0 HB3 CYS A 28 8.441 7.093 14.284 1.00 3.95 H new ATOM 0 HG CYS A 28 10.529 7.200 16.220 1.00 4.40 H new ATOM 410 N ALA A 29 8.407 5.163 10.696 1.00 3.22 N ATOM 411 CA ALA A 29 7.446 5.005 9.609 1.00 3.10 C ATOM 412 C ALA A 29 7.509 3.538 9.134 1.00 2.95 C ATOM 413 O ALA A 29 8.397 2.795 9.567 1.00 3.20 O ATOM 414 CB ALA A 29 7.794 5.996 8.491 1.00 3.25 C ATOM 0 H ALA A 29 9.259 4.628 10.530 1.00 3.22 H new ATOM 0 HA ALA A 29 6.427 5.221 9.930 1.00 3.10 H new ATOM 0 HB1 ALA A 29 7.082 5.887 7.673 1.00 3.25 H new ATOM 0 HB2 ALA A 29 7.747 7.013 8.879 1.00 3.25 H new ATOM 0 HB3 ALA A 29 8.801 5.793 8.125 1.00 3.25 H new ATOM 420 N SER A 30 6.607 3.107 8.253 1.00 2.62 N ATOM 421 CA SER A 30 6.608 1.751 7.687 1.00 2.39 C ATOM 422 C SER A 30 7.204 1.737 6.265 1.00 2.24 C ATOM 423 O SER A 30 6.466 1.964 5.299 1.00 2.49 O ATOM 424 CB SER A 30 5.184 1.195 7.682 1.00 2.49 C ATOM 425 OG SER A 30 4.672 1.017 8.997 1.00 2.62 O ATOM 0 H SER A 30 5.846 3.692 7.906 1.00 2.62 H new ATOM 0 HA SER A 30 7.238 1.116 8.310 1.00 2.39 H new ATOM 0 HB2 SER A 30 4.533 1.873 7.129 1.00 2.49 H new ATOM 0 HB3 SER A 30 5.170 0.240 7.156 1.00 2.49 H new ATOM 0 HG SER A 30 3.760 0.662 8.948 1.00 2.62 H new ATOM 431 N PRO A 31 8.518 1.496 6.080 1.00 1.95 N ATOM 432 CA PRO A 31 9.113 1.352 4.750 1.00 1.83 C ATOM 433 C PRO A 31 8.545 0.173 3.938 1.00 1.34 C ATOM 434 O PRO A 31 8.424 0.298 2.719 1.00 1.30 O ATOM 435 CB PRO A 31 10.625 1.213 4.982 1.00 1.91 C ATOM 436 CG PRO A 31 10.739 0.744 6.433 1.00 1.70 C ATOM 437 CD PRO A 31 9.568 1.468 7.092 1.00 1.95 C ATOM 0 HA PRO A 31 8.873 2.222 4.139 1.00 1.83 H new ATOM 0 HB2 PRO A 31 11.069 0.493 4.294 1.00 1.91 H new ATOM 0 HB3 PRO A 31 11.141 2.161 4.828 1.00 1.91 H new ATOM 0 HG2 PRO A 31 10.651 -0.339 6.520 1.00 1.70 H new ATOM 0 HG3 PRO A 31 11.694 1.023 6.878 1.00 1.70 H new ATOM 0 HD2 PRO A 31 9.236 0.945 7.989 1.00 1.95 H new ATOM 0 HD3 PRO A 31 9.849 2.476 7.396 1.00 1.95 H new ATOM 445 N GLU A 32 8.140 -0.940 4.570 1.00 1.09 N ATOM 446 CA GLU A 32 7.652 -2.123 3.834 1.00 0.83 C ATOM 447 C GLU A 32 6.356 -1.852 3.057 1.00 0.90 C ATOM 448 O GLU A 32 6.261 -2.213 1.879 1.00 0.85 O ATOM 449 CB GLU A 32 7.453 -3.329 4.772 1.00 0.87 C ATOM 450 CG GLU A 32 8.788 -3.951 5.205 1.00 1.94 C ATOM 451 CD GLU A 32 8.638 -5.220 6.058 1.00 2.16 C ATOM 452 OE1 GLU A 32 7.602 -5.926 5.994 1.00 2.79 O ATOM 453 OE2 GLU A 32 9.604 -5.562 6.790 1.00 2.92 O ATOM 0 H GLU A 32 8.140 -1.048 5.584 1.00 1.09 H new ATOM 0 HA GLU A 32 8.429 -2.359 3.107 1.00 0.83 H new ATOM 0 HB2 GLU A 32 6.898 -3.013 5.655 1.00 0.87 H new ATOM 0 HB3 GLU A 32 6.849 -4.083 4.268 1.00 0.87 H new ATOM 0 HG2 GLU A 32 9.371 -4.190 4.316 1.00 1.94 H new ATOM 0 HG3 GLU A 32 9.356 -3.211 5.769 1.00 1.94 H new ATOM 460 N THR A 33 5.377 -1.178 3.670 1.00 1.05 N ATOM 461 CA THR A 33 4.100 -0.826 3.022 1.00 1.15 C ATOM 462 C THR A 33 4.296 0.206 1.905 1.00 1.14 C ATOM 463 O THR A 33 3.711 0.078 0.828 1.00 1.07 O ATOM 464 CB THR A 33 3.066 -0.332 4.051 1.00 1.45 C ATOM 465 OG1 THR A 33 3.628 0.594 4.950 1.00 1.51 O ATOM 466 CG2 THR A 33 2.509 -1.476 4.900 1.00 1.39 C ATOM 0 H THR A 33 5.445 -0.857 4.636 1.00 1.05 H new ATOM 0 HA THR A 33 3.711 -1.736 2.565 1.00 1.15 H new ATOM 0 HB THR A 33 2.273 0.129 3.461 1.00 1.45 H new ATOM 0 HG1 THR A 33 2.944 0.888 5.587 1.00 1.51 H new ATOM 0 HG21 THR A 33 1.784 -1.081 5.612 1.00 1.39 H new ATOM 0 HG22 THR A 33 2.022 -2.206 4.253 1.00 1.39 H new ATOM 0 HG23 THR A 33 3.323 -1.957 5.441 1.00 1.39 H new ATOM 474 N LYS A 34 5.219 1.157 2.096 1.00 1.27 N ATOM 475 CA LYS A 34 5.674 2.129 1.085 1.00 1.38 C ATOM 476 C LYS A 34 6.270 1.440 -0.154 1.00 1.14 C ATOM 477 O LYS A 34 5.823 1.693 -1.285 1.00 1.09 O ATOM 478 CB LYS A 34 6.626 3.116 1.801 1.00 1.69 C ATOM 479 CG LYS A 34 7.768 3.694 0.956 1.00 1.95 C ATOM 480 CD LYS A 34 8.649 4.640 1.788 1.00 2.54 C ATOM 481 CE LYS A 34 9.990 4.937 1.107 1.00 2.91 C ATOM 482 NZ LYS A 34 9.814 5.471 -0.260 1.00 3.58 N ATOM 0 H LYS A 34 5.690 1.278 2.993 1.00 1.27 H new ATOM 0 HA LYS A 34 4.838 2.694 0.672 1.00 1.38 H new ATOM 0 HB2 LYS A 34 6.032 3.945 2.186 1.00 1.69 H new ATOM 0 HB3 LYS A 34 7.061 2.608 2.662 1.00 1.69 H new ATOM 0 HG2 LYS A 34 8.376 2.882 0.557 1.00 1.95 H new ATOM 0 HG3 LYS A 34 7.356 4.232 0.102 1.00 1.95 H new ATOM 0 HD2 LYS A 34 8.115 5.575 1.957 1.00 2.54 H new ATOM 0 HD3 LYS A 34 8.832 4.196 2.767 1.00 2.54 H new ATOM 0 HE2 LYS A 34 10.549 5.655 1.707 1.00 2.91 H new ATOM 0 HE3 LYS A 34 10.585 4.025 1.065 1.00 2.91 H new ATOM 0 HZ1 LYS A 34 10.740 5.737 -0.651 1.00 3.58 H new ATOM 0 HZ2 LYS A 34 9.379 4.744 -0.863 1.00 3.58 H new ATOM 0 HZ3 LYS A 34 9.198 6.309 -0.229 1.00 3.58 H new ATOM 496 N LYS A 35 7.214 0.508 0.055 1.00 1.04 N ATOM 497 CA LYS A 35 7.799 -0.335 -1.004 1.00 0.90 C ATOM 498 C LYS A 35 6.730 -1.184 -1.698 1.00 0.59 C ATOM 499 O LYS A 35 6.759 -1.293 -2.922 1.00 0.64 O ATOM 500 CB LYS A 35 8.922 -1.231 -0.429 1.00 0.95 C ATOM 501 CG LYS A 35 10.354 -0.793 -0.791 1.00 1.55 C ATOM 502 CD LYS A 35 10.801 0.549 -0.184 1.00 1.94 C ATOM 503 CE LYS A 35 12.314 0.766 -0.373 1.00 2.54 C ATOM 504 NZ LYS A 35 12.703 1.023 -1.784 1.00 3.54 N ATOM 0 H LYS A 35 7.599 0.315 0.979 1.00 1.04 H new ATOM 0 HA LYS A 35 8.234 0.326 -1.754 1.00 0.90 H new ATOM 0 HB2 LYS A 35 8.828 -1.253 0.657 1.00 0.95 H new ATOM 0 HB3 LYS A 35 8.770 -2.251 -0.783 1.00 0.95 H new ATOM 0 HG2 LYS A 35 11.047 -1.569 -0.467 1.00 1.55 H new ATOM 0 HG3 LYS A 35 10.434 -0.727 -1.876 1.00 1.55 H new ATOM 0 HD2 LYS A 35 10.252 1.365 -0.654 1.00 1.94 H new ATOM 0 HD3 LYS A 35 10.557 0.571 0.878 1.00 1.94 H new ATOM 0 HE2 LYS A 35 12.632 1.607 0.243 1.00 2.54 H new ATOM 0 HE3 LYS A 35 12.847 -0.113 -0.011 1.00 2.54 H new ATOM 0 HZ1 LYS A 35 13.732 1.160 -1.841 1.00 3.54 H new ATOM 0 HZ2 LYS A 35 12.429 0.211 -2.373 1.00 3.54 H new ATOM 0 HZ3 LYS A 35 12.220 1.878 -2.127 1.00 3.54 H new ATOM 518 N ALA A 36 5.760 -1.723 -0.950 1.00 0.49 N ATOM 519 CA ALA A 36 4.673 -2.552 -1.479 1.00 0.43 C ATOM 520 C ALA A 36 3.639 -1.768 -2.310 1.00 0.41 C ATOM 521 O ALA A 36 3.143 -2.296 -3.309 1.00 0.40 O ATOM 522 CB ALA A 36 4.009 -3.291 -0.314 1.00 0.69 C ATOM 0 H ALA A 36 5.709 -1.592 0.060 1.00 0.49 H new ATOM 0 HA ALA A 36 5.110 -3.264 -2.180 1.00 0.43 H new ATOM 0 HB1 ALA A 36 3.197 -3.912 -0.693 1.00 0.69 H new ATOM 0 HB2 ALA A 36 4.746 -3.921 0.185 1.00 0.69 H new ATOM 0 HB3 ALA A 36 3.610 -2.567 0.396 1.00 0.69 H new ATOM 528 N ARG A 37 3.346 -0.504 -1.959 1.00 0.62 N ATOM 529 CA ARG A 37 2.531 0.407 -2.788 1.00 0.74 C ATOM 530 C ARG A 37 3.253 0.766 -4.086 1.00 0.73 C ATOM 531 O ARG A 37 2.651 0.667 -5.150 1.00 0.68 O ATOM 532 CB ARG A 37 2.175 1.671 -1.985 1.00 1.10 C ATOM 533 CG ARG A 37 1.233 2.630 -2.734 1.00 1.56 C ATOM 534 CD ARG A 37 -0.165 2.038 -2.975 1.00 2.04 C ATOM 535 NE ARG A 37 -0.992 2.917 -3.815 1.00 3.34 N ATOM 536 CZ ARG A 37 -1.552 4.082 -3.439 1.00 3.44 C ATOM 537 NH1 ARG A 37 -1.425 4.561 -2.192 1.00 2.66 N ATOM 538 NH2 ARG A 37 -2.255 4.784 -4.337 1.00 5.04 N ATOM 0 H ARG A 37 3.668 -0.082 -1.088 1.00 0.62 H new ATOM 0 HA ARG A 37 1.608 -0.105 -3.060 1.00 0.74 H new ATOM 0 HB2 ARG A 37 1.708 1.375 -1.046 1.00 1.10 H new ATOM 0 HB3 ARG A 37 3.093 2.201 -1.731 1.00 1.10 H new ATOM 0 HG2 ARG A 37 1.136 3.554 -2.163 1.00 1.56 H new ATOM 0 HG3 ARG A 37 1.680 2.893 -3.693 1.00 1.56 H new ATOM 0 HD2 ARG A 37 -0.070 1.063 -3.453 1.00 2.04 H new ATOM 0 HD3 ARG A 37 -0.662 1.877 -2.018 1.00 2.04 H new ATOM 0 HE ARG A 37 -1.157 2.615 -4.775 1.00 3.34 H new ATOM 0 HH11 ARG A 37 -0.892 4.039 -1.497 1.00 2.66 H new ATOM 0 HH12 ARG A 37 -1.862 5.447 -1.939 1.00 2.66 H new ATOM 0 HH21 ARG A 37 -2.360 4.434 -5.289 1.00 5.04 H new ATOM 0 HH22 ARG A 37 -2.686 5.669 -4.069 1.00 5.04 H new ATOM 552 N ASP A 38 4.546 1.092 -4.013 1.00 0.87 N ATOM 553 CA ASP A 38 5.388 1.390 -5.179 1.00 1.10 C ATOM 554 C ASP A 38 5.520 0.171 -6.109 1.00 1.03 C ATOM 555 O ASP A 38 5.430 0.313 -7.329 1.00 1.22 O ATOM 556 CB ASP A 38 6.758 1.860 -4.668 1.00 1.27 C ATOM 557 CG ASP A 38 7.737 2.168 -5.800 1.00 3.32 C ATOM 558 OD1 ASP A 38 7.695 3.297 -6.351 1.00 3.87 O ATOM 559 OD2 ASP A 38 8.539 1.273 -6.141 1.00 4.85 O ATOM 0 H ASP A 38 5.048 1.158 -3.127 1.00 0.87 H new ATOM 0 HA ASP A 38 4.926 2.177 -5.775 1.00 1.10 H new ATOM 0 HB2 ASP A 38 6.626 2.752 -4.055 1.00 1.27 H new ATOM 0 HB3 ASP A 38 7.184 1.091 -4.024 1.00 1.27 H new ATOM 564 N ALA A 39 5.650 -1.026 -5.528 1.00 0.85 N ATOM 565 CA ALA A 39 5.680 -2.299 -6.241 1.00 0.98 C ATOM 566 C ALA A 39 4.316 -2.669 -6.851 1.00 0.95 C ATOM 567 O ALA A 39 4.282 -3.204 -7.954 1.00 1.33 O ATOM 568 CB ALA A 39 6.183 -3.382 -5.282 1.00 0.94 C ATOM 0 H ALA A 39 5.740 -1.135 -4.518 1.00 0.85 H new ATOM 0 HA ALA A 39 6.361 -2.210 -7.087 1.00 0.98 H new ATOM 0 HB1 ALA A 39 6.212 -4.341 -5.799 1.00 0.94 H new ATOM 0 HB2 ALA A 39 7.185 -3.126 -4.937 1.00 0.94 H new ATOM 0 HB3 ALA A 39 5.511 -3.451 -4.426 1.00 0.94 H new ATOM 574 N CYS A 40 3.193 -2.337 -6.200 1.00 0.56 N ATOM 575 CA CYS A 40 1.858 -2.492 -6.787 1.00 0.51 C ATOM 576 C CYS A 40 1.650 -1.526 -7.964 1.00 0.53 C ATOM 577 O CYS A 40 1.224 -1.950 -9.035 1.00 0.71 O ATOM 578 CB CYS A 40 0.790 -2.327 -5.701 1.00 0.50 C ATOM 579 SG CYS A 40 -0.905 -2.575 -6.295 1.00 0.95 S ATOM 0 H CYS A 40 3.186 -1.955 -5.254 1.00 0.56 H new ATOM 0 HA CYS A 40 1.765 -3.498 -7.197 1.00 0.51 H new ATOM 0 HB2 CYS A 40 0.990 -3.036 -4.897 1.00 0.50 H new ATOM 0 HB3 CYS A 40 0.872 -1.328 -5.273 1.00 0.50 H new ATOM 584 N ILE A 41 2.052 -0.258 -7.825 1.00 0.65 N ATOM 585 CA ILE A 41 2.153 0.682 -8.961 1.00 1.13 C ATOM 586 C ILE A 41 3.033 0.114 -10.097 1.00 1.56 C ATOM 587 O ILE A 41 2.672 0.264 -11.267 1.00 1.82 O ATOM 588 CB ILE A 41 2.603 2.083 -8.462 1.00 1.59 C ATOM 589 CG1 ILE A 41 1.415 3.048 -8.242 1.00 1.91 C ATOM 590 CG2 ILE A 41 3.555 2.810 -9.428 1.00 2.33 C ATOM 591 CD1 ILE A 41 0.334 2.562 -7.273 1.00 1.74 C ATOM 0 H ILE A 41 2.317 0.150 -6.928 1.00 0.65 H new ATOM 0 HA ILE A 41 1.165 0.809 -9.404 1.00 1.13 H new ATOM 0 HB ILE A 41 3.113 1.857 -7.526 1.00 1.59 H new ATOM 0 HG12 ILE A 41 1.805 3.997 -7.875 1.00 1.91 H new ATOM 0 HG13 ILE A 41 0.949 3.247 -9.207 1.00 1.91 H new ATOM 0 HG21 ILE A 41 3.825 3.780 -9.011 1.00 2.33 H new ATOM 0 HG22 ILE A 41 4.456 2.213 -9.570 1.00 2.33 H new ATOM 0 HG23 ILE A 41 3.060 2.953 -10.388 1.00 2.33 H new ATOM 0 HD11 ILE A 41 -0.449 3.316 -7.194 1.00 1.74 H new ATOM 0 HD12 ILE A 41 -0.094 1.631 -7.643 1.00 1.74 H new ATOM 0 HD13 ILE A 41 0.775 2.393 -6.291 1.00 1.74 H new ATOM 603 N ILE A 42 4.137 -0.588 -9.795 1.00 1.71 N ATOM 604 CA ILE A 42 4.968 -1.247 -10.835 1.00 2.18 C ATOM 605 C ILE A 42 4.236 -2.428 -11.502 1.00 2.21 C ATOM 606 O ILE A 42 4.261 -2.558 -12.729 1.00 2.54 O ATOM 607 CB ILE A 42 6.355 -1.650 -10.271 1.00 2.41 C ATOM 608 CG1 ILE A 42 7.215 -0.382 -10.073 1.00 2.60 C ATOM 609 CG2 ILE A 42 7.111 -2.636 -11.185 1.00 2.86 C ATOM 610 CD1 ILE A 42 8.448 -0.588 -9.182 1.00 3.34 C ATOM 0 H ILE A 42 4.481 -0.718 -8.843 1.00 1.71 H new ATOM 0 HA ILE A 42 5.143 -0.517 -11.626 1.00 2.18 H new ATOM 0 HB ILE A 42 6.180 -2.156 -9.322 1.00 2.41 H new ATOM 0 HG12 ILE A 42 7.542 -0.023 -11.049 1.00 2.60 H new ATOM 0 HG13 ILE A 42 6.593 0.400 -9.638 1.00 2.60 H new ATOM 0 HG21 ILE A 42 8.074 -2.881 -10.738 1.00 2.86 H new ATOM 0 HG22 ILE A 42 6.523 -3.547 -11.303 1.00 2.86 H new ATOM 0 HG23 ILE A 42 7.270 -2.178 -12.161 1.00 2.86 H new ATOM 0 HD11 ILE A 42 8.995 0.351 -9.096 1.00 3.34 H new ATOM 0 HD12 ILE A 42 8.131 -0.916 -8.192 1.00 3.34 H new ATOM 0 HD13 ILE A 42 9.095 -1.345 -9.625 1.00 3.34 H new ATOM 622 N GLU A 43 3.561 -3.278 -10.729 1.00 1.95 N ATOM 623 CA GLU A 43 2.907 -4.500 -11.222 1.00 2.15 C ATOM 624 C GLU A 43 1.532 -4.272 -11.875 1.00 2.05 C ATOM 625 O GLU A 43 1.132 -5.066 -12.732 1.00 2.63 O ATOM 626 CB GLU A 43 2.746 -5.497 -10.062 1.00 2.15 C ATOM 627 CG GLU A 43 4.067 -6.144 -9.633 1.00 2.43 C ATOM 628 CD GLU A 43 3.834 -7.408 -8.800 1.00 3.55 C ATOM 629 OE1 GLU A 43 3.485 -8.460 -9.390 1.00 4.25 O ATOM 630 OE2 GLU A 43 4.032 -7.377 -7.561 1.00 4.40 O ATOM 0 H GLU A 43 3.449 -3.139 -9.725 1.00 1.95 H new ATOM 0 HA GLU A 43 3.558 -4.889 -12.005 1.00 2.15 H new ATOM 0 HB2 GLU A 43 2.307 -4.982 -9.207 1.00 2.15 H new ATOM 0 HB3 GLU A 43 2.046 -6.278 -10.358 1.00 2.15 H new ATOM 0 HG2 GLU A 43 4.654 -6.394 -10.517 1.00 2.43 H new ATOM 0 HG3 GLU A 43 4.651 -5.429 -9.054 1.00 2.43 H new ATOM 637 N LYS A 44 0.789 -3.240 -11.456 1.00 1.39 N ATOM 638 CA LYS A 44 -0.641 -3.043 -11.774 1.00 1.28 C ATOM 639 C LYS A 44 -1.012 -1.632 -12.236 1.00 1.10 C ATOM 640 O LYS A 44 -2.056 -1.470 -12.869 1.00 1.31 O ATOM 641 CB LYS A 44 -1.496 -3.383 -10.542 1.00 1.19 C ATOM 642 CG LYS A 44 -1.161 -4.744 -9.913 1.00 1.68 C ATOM 643 CD LYS A 44 -2.224 -5.175 -8.896 1.00 1.93 C ATOM 644 CE LYS A 44 -1.937 -6.563 -8.309 1.00 2.52 C ATOM 645 NZ LYS A 44 -1.918 -7.622 -9.343 1.00 2.30 N ATOM 0 H LYS A 44 1.171 -2.497 -10.871 1.00 1.39 H new ATOM 0 HA LYS A 44 -0.839 -3.710 -12.613 1.00 1.28 H new ATOM 0 HB2 LYS A 44 -1.362 -2.604 -9.792 1.00 1.19 H new ATOM 0 HB3 LYS A 44 -2.548 -3.374 -10.827 1.00 1.19 H new ATOM 0 HG2 LYS A 44 -1.080 -5.497 -10.697 1.00 1.68 H new ATOM 0 HG3 LYS A 44 -0.189 -4.689 -9.423 1.00 1.68 H new ATOM 0 HD2 LYS A 44 -2.270 -4.444 -8.089 1.00 1.93 H new ATOM 0 HD3 LYS A 44 -3.202 -5.181 -9.376 1.00 1.93 H new ATOM 0 HE2 LYS A 44 -0.976 -6.545 -7.794 1.00 2.52 H new ATOM 0 HE3 LYS A 44 -2.694 -6.802 -7.562 1.00 2.52 H new ATOM 0 HZ1 LYS A 44 -1.907 -8.555 -8.884 1.00 2.30 H new ATOM 0 HZ2 LYS A 44 -2.766 -7.540 -9.940 1.00 2.30 H new ATOM 0 HZ3 LYS A 44 -1.068 -7.516 -9.932 1.00 2.30 H new ATOM 659 N GLY A 45 -0.192 -0.628 -11.929 1.00 1.25 N ATOM 660 CA GLY A 45 -0.479 0.771 -12.246 1.00 1.71 C ATOM 661 C GLY A 45 -1.338 1.504 -11.204 1.00 1.70 C ATOM 662 O GLY A 45 -1.903 0.910 -10.286 1.00 1.41 O ATOM 0 H GLY A 45 0.698 -0.763 -11.449 1.00 1.25 H new ATOM 0 HA2 GLY A 45 0.465 1.305 -12.359 1.00 1.71 H new ATOM 0 HA3 GLY A 45 -0.986 0.814 -13.210 1.00 1.71 H new ATOM 666 N GLU A 46 -1.411 2.827 -11.353 1.00 2.38 N ATOM 667 CA GLU A 46 -1.967 3.771 -10.371 1.00 2.88 C ATOM 668 C GLU A 46 -3.427 3.517 -9.955 1.00 2.65 C ATOM 669 O GLU A 46 -3.826 3.924 -8.861 1.00 3.27 O ATOM 670 CB GLU A 46 -1.897 5.210 -10.921 1.00 3.68 C ATOM 671 CG GLU A 46 -0.511 5.715 -11.346 1.00 4.45 C ATOM 672 CD GLU A 46 -0.221 5.452 -12.831 1.00 6.44 C ATOM 673 OE1 GLU A 46 0.171 4.315 -13.181 1.00 7.61 O ATOM 674 OE2 GLU A 46 -0.425 6.359 -13.677 1.00 7.41 O ATOM 0 H GLU A 46 -1.072 3.294 -12.194 1.00 2.38 H new ATOM 0 HA GLU A 46 -1.350 3.622 -9.485 1.00 2.88 H new ATOM 0 HB2 GLU A 46 -2.564 5.279 -11.781 1.00 3.68 H new ATOM 0 HB3 GLU A 46 -2.287 5.885 -10.160 1.00 3.68 H new ATOM 0 HG2 GLU A 46 -0.441 6.785 -11.149 1.00 4.45 H new ATOM 0 HG3 GLU A 46 0.252 5.229 -10.738 1.00 4.45 H new ATOM 681 N GLU A 47 -4.238 2.884 -10.805 1.00 1.99 N ATOM 682 CA GLU A 47 -5.694 2.765 -10.617 1.00 2.01 C ATOM 683 C GLU A 47 -6.122 1.447 -9.931 1.00 1.90 C ATOM 684 O GLU A 47 -7.313 1.239 -9.682 1.00 2.47 O ATOM 685 CB GLU A 47 -6.410 2.988 -11.970 1.00 1.80 C ATOM 686 CG GLU A 47 -6.056 4.335 -12.633 1.00 2.92 C ATOM 687 CD GLU A 47 -6.773 4.535 -13.978 1.00 3.28 C ATOM 688 OE1 GLU A 47 -7.988 4.860 -14.013 1.00 3.88 O ATOM 689 OE2 GLU A 47 -6.118 4.348 -15.036 1.00 3.83 O ATOM 0 H GLU A 47 -3.902 2.432 -11.656 1.00 1.99 H new ATOM 0 HA GLU A 47 -6.004 3.546 -9.922 1.00 2.01 H new ATOM 0 HB2 GLU A 47 -6.149 2.177 -12.649 1.00 1.80 H new ATOM 0 HB3 GLU A 47 -7.488 2.939 -11.815 1.00 1.80 H new ATOM 0 HG2 GLU A 47 -6.322 5.149 -11.959 1.00 2.92 H new ATOM 0 HG3 GLU A 47 -4.978 4.388 -12.788 1.00 2.92 H new ATOM 696 N HIS A 48 -5.179 0.548 -9.614 1.00 1.62 N ATOM 697 CA HIS A 48 -5.448 -0.879 -9.348 1.00 1.56 C ATOM 698 C HIS A 48 -4.915 -1.418 -7.998 1.00 1.43 C ATOM 699 O HIS A 48 -4.763 -2.635 -7.832 1.00 1.43 O ATOM 700 CB HIS A 48 -4.933 -1.682 -10.551 1.00 1.37 C ATOM 701 CG HIS A 48 -5.601 -1.314 -11.853 1.00 1.68 C ATOM 702 ND1 HIS A 48 -5.043 -0.590 -12.881 1.00 1.98 N ATOM 703 CD2 HIS A 48 -6.873 -1.644 -12.241 1.00 2.35 C ATOM 704 CE1 HIS A 48 -5.943 -0.505 -13.871 1.00 2.15 C ATOM 705 NE2 HIS A 48 -7.086 -1.128 -13.529 1.00 2.41 N ATOM 0 H HIS A 48 -4.192 0.792 -9.533 1.00 1.62 H new ATOM 0 HA HIS A 48 -6.525 -0.998 -9.233 1.00 1.56 H new ATOM 0 HB2 HIS A 48 -3.858 -1.528 -10.647 1.00 1.37 H new ATOM 0 HB3 HIS A 48 -5.087 -2.744 -10.361 1.00 1.37 H new ATOM 0 HD2 HIS A 48 -7.588 -2.204 -11.657 1.00 2.35 H new ATOM 0 HE1 HIS A 48 -5.774 -0.005 -14.813 1.00 2.15 H new ATOM 0 HE2 HIS A 48 -7.934 -1.209 -14.091 1.00 2.41 H new ATOM 713 N CYS A 49 -4.643 -0.536 -7.028 1.00 1.38 N ATOM 714 CA CYS A 49 -3.985 -0.860 -5.751 1.00 1.27 C ATOM 715 C CYS A 49 -4.852 -0.618 -4.494 1.00 1.24 C ATOM 716 O CYS A 49 -4.319 -0.430 -3.398 1.00 1.14 O ATOM 717 CB CYS A 49 -2.622 -0.153 -5.712 1.00 1.18 C ATOM 718 SG CYS A 49 -1.484 -0.750 -6.989 1.00 1.12 S ATOM 0 H CYS A 49 -4.881 0.452 -7.110 1.00 1.38 H new ATOM 0 HA CYS A 49 -3.830 -1.938 -5.714 1.00 1.27 H new ATOM 0 HB2 CYS A 49 -2.771 0.920 -5.837 1.00 1.18 H new ATOM 0 HB3 CYS A 49 -2.170 -0.300 -4.731 1.00 1.18 H new ATOM 723 N GLY A 50 -6.184 -0.663 -4.613 1.00 1.30 N ATOM 724 CA GLY A 50 -7.124 -0.447 -3.503 1.00 1.17 C ATOM 725 C GLY A 50 -6.972 -1.428 -2.330 1.00 0.88 C ATOM 726 O GLY A 50 -7.233 -1.049 -1.186 1.00 0.77 O ATOM 0 H GLY A 50 -6.649 -0.854 -5.500 1.00 1.30 H new ATOM 0 HA2 GLY A 50 -6.995 0.568 -3.128 1.00 1.17 H new ATOM 0 HA3 GLY A 50 -8.141 -0.518 -3.888 1.00 1.17 H new ATOM 730 N HIS A 51 -6.485 -2.650 -2.574 1.00 0.91 N ATOM 731 CA HIS A 51 -6.162 -3.626 -1.521 1.00 0.76 C ATOM 732 C HIS A 51 -4.875 -3.284 -0.738 1.00 0.65 C ATOM 733 O HIS A 51 -4.789 -3.549 0.465 1.00 0.50 O ATOM 734 CB HIS A 51 -6.057 -5.026 -2.140 1.00 1.06 C ATOM 735 CG HIS A 51 -7.380 -5.607 -2.574 1.00 1.81 C ATOM 736 ND1 HIS A 51 -8.241 -6.311 -1.766 1.00 2.14 N ATOM 737 CD2 HIS A 51 -7.930 -5.590 -3.827 1.00 3.33 C ATOM 738 CE1 HIS A 51 -9.284 -6.715 -2.502 1.00 3.09 C ATOM 739 NE2 HIS A 51 -9.152 -6.280 -3.769 1.00 3.85 N ATOM 0 H HIS A 51 -6.301 -2.995 -3.516 1.00 0.91 H new ATOM 0 HA HIS A 51 -6.973 -3.593 -0.793 1.00 0.76 H new ATOM 0 HB2 HIS A 51 -5.391 -4.982 -3.002 1.00 1.06 H new ATOM 0 HB3 HIS A 51 -5.597 -5.698 -1.416 1.00 1.06 H new ATOM 0 HD2 HIS A 51 -7.501 -5.128 -4.704 1.00 3.33 H new ATOM 0 HE1 HIS A 51 -10.111 -7.304 -2.133 1.00 3.09 H new ATOM 0 HE2 HIS A 51 -9.810 -6.423 -4.536 1.00 3.85 H new ATOM 747 N LEU A 52 -3.892 -2.644 -1.385 1.00 0.83 N ATOM 748 CA LEU A 52 -2.708 -2.102 -0.705 1.00 0.86 C ATOM 749 C LEU A 52 -3.129 -0.925 0.181 1.00 0.85 C ATOM 750 O LEU A 52 -2.785 -0.877 1.356 1.00 0.88 O ATOM 751 CB LEU A 52 -1.611 -1.711 -1.729 1.00 1.21 C ATOM 752 CG LEU A 52 -0.684 -2.849 -2.196 1.00 0.89 C ATOM 753 CD1 LEU A 52 0.267 -3.309 -1.094 1.00 1.06 C ATOM 754 CD2 LEU A 52 -1.435 -4.063 -2.737 1.00 1.93 C ATOM 0 H LEU A 52 -3.895 -2.488 -2.393 1.00 0.83 H new ATOM 0 HA LEU A 52 -2.269 -2.867 -0.065 1.00 0.86 H new ATOM 0 HB2 LEU A 52 -2.097 -1.283 -2.606 1.00 1.21 H new ATOM 0 HB3 LEU A 52 -0.996 -0.926 -1.290 1.00 1.21 H new ATOM 0 HG LEU A 52 -0.110 -2.413 -3.014 1.00 0.89 H new ATOM 0 HD11 LEU A 52 0.900 -4.112 -1.471 1.00 1.06 H new ATOM 0 HD12 LEU A 52 0.891 -2.473 -0.779 1.00 1.06 H new ATOM 0 HD13 LEU A 52 -0.310 -3.671 -0.243 1.00 1.06 H new ATOM 0 HD21 LEU A 52 -0.720 -4.825 -3.047 1.00 1.93 H new ATOM 0 HD22 LEU A 52 -2.081 -4.468 -1.958 1.00 1.93 H new ATOM 0 HD23 LEU A 52 -2.041 -3.764 -3.592 1.00 1.93 H new ATOM 766 N ILE A 53 -3.967 -0.025 -0.341 1.00 0.97 N ATOM 767 CA ILE A 53 -4.513 1.093 0.441 1.00 1.13 C ATOM 768 C ILE A 53 -5.355 0.580 1.627 1.00 0.99 C ATOM 769 O ILE A 53 -5.272 1.140 2.718 1.00 1.20 O ATOM 770 CB ILE A 53 -5.298 2.059 -0.460 1.00 1.37 C ATOM 771 CG1 ILE A 53 -4.409 2.584 -1.610 1.00 1.48 C ATOM 772 CG2 ILE A 53 -5.801 3.257 0.365 1.00 1.57 C ATOM 773 CD1 ILE A 53 -5.255 3.185 -2.725 1.00 1.90 C ATOM 0 H ILE A 53 -4.285 -0.048 -1.310 1.00 0.97 H new ATOM 0 HA ILE A 53 -3.682 1.657 0.865 1.00 1.13 H new ATOM 0 HB ILE A 53 -6.143 1.514 -0.881 1.00 1.37 H new ATOM 0 HG12 ILE A 53 -3.719 3.336 -1.227 1.00 1.48 H new ATOM 0 HG13 ILE A 53 -3.804 1.769 -2.007 1.00 1.48 H new ATOM 0 HG21 ILE A 53 -6.356 3.937 -0.282 1.00 1.57 H new ATOM 0 HG22 ILE A 53 -6.453 2.901 1.163 1.00 1.57 H new ATOM 0 HG23 ILE A 53 -4.950 3.783 0.799 1.00 1.57 H new ATOM 0 HD11 ILE A 53 -4.604 3.547 -3.521 1.00 1.90 H new ATOM 0 HD12 ILE A 53 -5.926 2.424 -3.123 1.00 1.90 H new ATOM 0 HD13 ILE A 53 -5.841 4.015 -2.330 1.00 1.90 H new ATOM 785 N GLU A 54 -6.098 -0.524 1.457 1.00 0.73 N ATOM 786 CA GLU A 54 -6.832 -1.187 2.554 1.00 0.76 C ATOM 787 C GLU A 54 -5.884 -1.672 3.666 1.00 0.75 C ATOM 788 O GLU A 54 -6.090 -1.365 4.845 1.00 0.93 O ATOM 789 CB GLU A 54 -7.694 -2.353 2.034 1.00 0.72 C ATOM 790 CG GLU A 54 -8.628 -2.898 3.129 1.00 0.98 C ATOM 791 CD GLU A 54 -9.304 -4.207 2.717 1.00 1.31 C ATOM 792 OE1 GLU A 54 -8.645 -5.272 2.794 1.00 2.54 O ATOM 793 OE2 GLU A 54 -10.515 -4.186 2.382 1.00 1.67 O ATOM 0 H GLU A 54 -6.209 -0.986 0.554 1.00 0.73 H new ATOM 0 HA GLU A 54 -7.497 -0.438 2.984 1.00 0.76 H new ATOM 0 HB2 GLU A 54 -8.287 -2.017 1.183 1.00 0.72 H new ATOM 0 HB3 GLU A 54 -7.047 -3.153 1.675 1.00 0.72 H new ATOM 0 HG2 GLU A 54 -8.057 -3.059 4.043 1.00 0.98 H new ATOM 0 HG3 GLU A 54 -9.391 -2.153 3.356 1.00 0.98 H new ATOM 800 N ALA A 55 -4.805 -2.371 3.294 1.00 0.58 N ATOM 801 CA ALA A 55 -3.774 -2.774 4.254 1.00 0.56 C ATOM 802 C ALA A 55 -3.177 -1.568 4.991 1.00 0.82 C ATOM 803 O ALA A 55 -2.922 -1.638 6.190 1.00 0.86 O ATOM 804 CB ALA A 55 -2.667 -3.544 3.526 1.00 0.54 C ATOM 0 H ALA A 55 -4.624 -2.669 2.335 1.00 0.58 H new ATOM 0 HA ALA A 55 -4.242 -3.416 5.000 1.00 0.56 H new ATOM 0 HB1 ALA A 55 -1.901 -3.843 4.241 1.00 0.54 H new ATOM 0 HB2 ALA A 55 -3.090 -4.431 3.055 1.00 0.54 H new ATOM 0 HB3 ALA A 55 -2.221 -2.906 2.763 1.00 0.54 H new ATOM 810 N HIS A 56 -2.955 -0.452 4.297 1.00 1.06 N ATOM 811 CA HIS A 56 -2.235 0.695 4.852 1.00 1.24 C ATOM 812 C HIS A 56 -3.130 1.587 5.739 1.00 1.29 C ATOM 813 O HIS A 56 -2.658 2.107 6.759 1.00 1.31 O ATOM 814 CB HIS A 56 -1.530 1.430 3.704 1.00 1.27 C ATOM 815 CG HIS A 56 -0.625 0.548 2.858 1.00 2.05 C ATOM 816 ND1 HIS A 56 -0.167 0.855 1.599 1.00 3.07 N ATOM 817 CD2 HIS A 56 -0.175 -0.722 3.135 1.00 3.67 C ATOM 818 CE1 HIS A 56 0.552 -0.187 1.147 1.00 5.05 C ATOM 819 NE2 HIS A 56 0.577 -1.184 2.047 1.00 5.41 N ATOM 0 H HIS A 56 -3.268 -0.317 3.336 1.00 1.06 H new ATOM 0 HA HIS A 56 -1.467 0.353 5.545 1.00 1.24 H new ATOM 0 HB2 HIS A 56 -2.284 1.881 3.059 1.00 1.27 H new ATOM 0 HB3 HIS A 56 -0.938 2.245 4.120 1.00 1.27 H new ATOM 0 HD2 HIS A 56 -0.370 -1.273 4.043 1.00 3.67 H new ATOM 0 HE1 HIS A 56 1.045 -0.218 0.187 1.00 5.05 H new ATOM 0 HE2 HIS A 56 1.044 -2.086 1.957 1.00 5.41 H new ATOM 827 N LYS A 57 -4.438 1.684 5.448 1.00 1.37 N ATOM 828 CA LYS A 57 -5.420 2.309 6.356 1.00 1.61 C ATOM 829 C LYS A 57 -5.656 1.461 7.608 1.00 1.54 C ATOM 830 O LYS A 57 -5.663 1.998 8.712 1.00 1.72 O ATOM 831 CB LYS A 57 -6.713 2.691 5.605 1.00 1.77 C ATOM 832 CG LYS A 57 -7.591 1.511 5.156 1.00 1.56 C ATOM 833 CD LYS A 57 -8.856 1.910 4.378 1.00 1.82 C ATOM 834 CE LYS A 57 -8.564 2.549 3.015 1.00 1.82 C ATOM 835 NZ LYS A 57 -9.816 2.842 2.275 1.00 1.92 N ATOM 0 H LYS A 57 -4.845 1.334 4.581 1.00 1.37 H new ATOM 0 HA LYS A 57 -5.000 3.247 6.720 1.00 1.61 H new ATOM 0 HB2 LYS A 57 -7.308 3.340 6.248 1.00 1.77 H new ATOM 0 HB3 LYS A 57 -6.442 3.275 4.725 1.00 1.77 H new ATOM 0 HG2 LYS A 57 -6.992 0.847 4.533 1.00 1.56 H new ATOM 0 HG3 LYS A 57 -7.887 0.941 6.036 1.00 1.56 H new ATOM 0 HD2 LYS A 57 -9.475 1.025 4.230 1.00 1.82 H new ATOM 0 HD3 LYS A 57 -9.437 2.608 4.980 1.00 1.82 H new ATOM 0 HE2 LYS A 57 -7.999 3.470 3.157 1.00 1.82 H new ATOM 0 HE3 LYS A 57 -7.939 1.880 2.424 1.00 1.82 H new ATOM 0 HZ1 LYS A 57 -9.584 3.273 1.358 1.00 1.92 H new ATOM 0 HZ2 LYS A 57 -10.342 1.958 2.119 1.00 1.92 H new ATOM 0 HZ3 LYS A 57 -10.401 3.500 2.829 1.00 1.92 H new ATOM 849 N GLU A 58 -5.739 0.134 7.475 1.00 1.33 N ATOM 850 CA GLU A 58 -5.843 -0.778 8.633 1.00 1.37 C ATOM 851 C GLU A 58 -4.535 -0.837 9.461 1.00 1.31 C ATOM 852 O GLU A 58 -4.570 -0.922 10.695 1.00 1.52 O ATOM 853 CB GLU A 58 -6.289 -2.174 8.155 1.00 1.32 C ATOM 854 CG GLU A 58 -7.739 -2.163 7.629 1.00 1.45 C ATOM 855 CD GLU A 58 -8.224 -3.527 7.110 1.00 1.56 C ATOM 856 OE1 GLU A 58 -7.401 -4.400 6.742 1.00 2.27 O ATOM 857 OE2 GLU A 58 -9.458 -3.762 7.076 1.00 2.33 O ATOM 0 H GLU A 58 -5.737 -0.342 6.573 1.00 1.33 H new ATOM 0 HA GLU A 58 -6.600 -0.383 9.310 1.00 1.37 H new ATOM 0 HB2 GLU A 58 -5.619 -2.520 7.368 1.00 1.32 H new ATOM 0 HB3 GLU A 58 -6.206 -2.884 8.978 1.00 1.32 H new ATOM 0 HG2 GLU A 58 -8.402 -1.833 8.428 1.00 1.45 H new ATOM 0 HG3 GLU A 58 -7.818 -1.431 6.826 1.00 1.45 H new ATOM 864 N SER A 59 -3.378 -0.697 8.807 1.00 1.09 N ATOM 865 CA SER A 59 -2.067 -0.545 9.453 1.00 1.06 C ATOM 866 C SER A 59 -1.983 0.738 10.284 1.00 1.33 C ATOM 867 O SER A 59 -1.536 0.686 11.429 1.00 1.43 O ATOM 868 CB SER A 59 -0.956 -0.562 8.397 1.00 1.00 C ATOM 869 OG SER A 59 0.319 -0.465 8.999 1.00 1.60 O ATOM 0 H SER A 59 -3.324 -0.686 7.789 1.00 1.09 H new ATOM 0 HA SER A 59 -1.936 -1.386 10.134 1.00 1.06 H new ATOM 0 HB2 SER A 59 -1.018 -1.481 7.814 1.00 1.00 H new ATOM 0 HB3 SER A 59 -1.098 0.266 7.702 1.00 1.00 H new ATOM 0 HG SER A 59 1.011 -0.480 8.305 1.00 1.60 H new ATOM 875 N MET A 60 -2.471 1.881 9.782 1.00 1.54 N ATOM 876 CA MET A 60 -2.494 3.112 10.589 1.00 1.88 C ATOM 877 C MET A 60 -3.654 3.170 11.599 1.00 2.06 C ATOM 878 O MET A 60 -3.525 3.820 12.639 1.00 2.30 O ATOM 879 CB MET A 60 -2.379 4.361 9.700 1.00 2.08 C ATOM 880 CG MET A 60 -1.341 5.358 10.238 1.00 2.93 C ATOM 881 SD MET A 60 0.361 4.709 10.264 1.00 2.82 S ATOM 882 CE MET A 60 1.261 6.181 10.816 1.00 4.78 C ATOM 0 H MET A 60 -2.849 1.981 8.840 1.00 1.54 H new ATOM 0 HA MET A 60 -1.605 3.093 11.219 1.00 1.88 H new ATOM 0 HB2 MET A 60 -2.104 4.062 8.689 1.00 2.08 H new ATOM 0 HB3 MET A 60 -3.351 4.850 9.634 1.00 2.08 H new ATOM 0 HG2 MET A 60 -1.366 6.260 9.626 1.00 2.93 H new ATOM 0 HG3 MET A 60 -1.623 5.651 11.249 1.00 2.93 H new ATOM 0 HE1 MET A 60 2.325 5.953 10.885 1.00 4.78 H new ATOM 0 HE2 MET A 60 1.109 6.990 10.101 1.00 4.78 H new ATOM 0 HE3 MET A 60 0.892 6.488 11.795 1.00 4.78 H new ATOM 892 N ARG A 61 -4.744 2.412 11.402 1.00 2.01 N ATOM 893 CA ARG A 61 -5.713 2.125 12.481 1.00 2.25 C ATOM 894 C ARG A 61 -5.063 1.334 13.621 1.00 2.20 C ATOM 895 O ARG A 61 -5.379 1.580 14.783 1.00 2.53 O ATOM 896 CB ARG A 61 -6.952 1.441 11.885 1.00 2.22 C ATOM 897 CG ARG A 61 -8.048 1.133 12.924 1.00 2.59 C ATOM 898 CD ARG A 61 -8.124 -0.361 13.260 1.00 3.08 C ATOM 899 NE ARG A 61 -8.666 -1.128 12.126 1.00 3.23 N ATOM 900 CZ ARG A 61 -8.581 -2.460 11.963 1.00 4.53 C ATOM 901 NH1 ARG A 61 -7.945 -3.239 12.851 1.00 5.59 N ATOM 902 NH2 ARG A 61 -9.148 -3.021 10.887 1.00 5.21 N ATOM 0 H ARG A 61 -4.980 1.985 10.506 1.00 2.01 H new ATOM 0 HA ARG A 61 -6.045 3.058 12.936 1.00 2.25 H new ATOM 0 HB2 ARG A 61 -7.370 2.080 11.107 1.00 2.22 H new ATOM 0 HB3 ARG A 61 -6.647 0.511 11.404 1.00 2.22 H new ATOM 0 HG2 ARG A 61 -7.852 1.699 13.835 1.00 2.59 H new ATOM 0 HG3 ARG A 61 -9.013 1.467 12.542 1.00 2.59 H new ATOM 0 HD2 ARG A 61 -7.131 -0.732 13.513 1.00 3.08 H new ATOM 0 HD3 ARG A 61 -8.753 -0.509 14.138 1.00 3.08 H new ATOM 0 HE ARG A 61 -9.150 -0.601 11.398 1.00 3.23 H new ATOM 0 HH11 ARG A 61 -7.511 -2.823 13.675 1.00 5.59 H new ATOM 0 HH12 ARG A 61 -7.896 -4.247 12.702 1.00 5.59 H new ATOM 0 HH21 ARG A 61 -9.635 -2.439 10.206 1.00 5.21 H new ATOM 0 HH22 ARG A 61 -9.092 -4.030 10.749 1.00 5.21 H new ATOM 916 N ALA A 62 -4.085 0.474 13.337 1.00 1.83 N ATOM 917 CA ALA A 62 -3.267 -0.152 14.389 1.00 1.80 C ATOM 918 C ALA A 62 -2.343 0.816 15.184 1.00 1.89 C ATOM 919 O ALA A 62 -1.794 0.402 16.211 1.00 1.98 O ATOM 920 CB ALA A 62 -2.514 -1.359 13.820 1.00 1.56 C ATOM 0 H ALA A 62 -3.836 0.192 12.389 1.00 1.83 H new ATOM 0 HA ALA A 62 -3.968 -0.495 15.150 1.00 1.80 H new ATOM 0 HB1 ALA A 62 -1.912 -1.815 14.606 1.00 1.56 H new ATOM 0 HB2 ALA A 62 -3.230 -2.089 13.441 1.00 1.56 H new ATOM 0 HB3 ALA A 62 -1.864 -1.033 13.008 1.00 1.56 H new ATOM 926 N LEU A 63 -2.206 2.097 14.794 1.00 2.04 N ATOM 927 CA LEU A 63 -1.609 3.152 15.646 1.00 2.38 C ATOM 928 C LEU A 63 -2.648 3.840 16.547 1.00 3.06 C ATOM 929 O LEU A 63 -2.305 4.312 17.636 1.00 3.63 O ATOM 930 CB LEU A 63 -0.901 4.221 14.785 1.00 2.49 C ATOM 931 CG LEU A 63 0.534 3.917 14.328 1.00 2.16 C ATOM 932 CD1 LEU A 63 1.531 3.862 15.487 1.00 2.18 C ATOM 933 CD2 LEU A 63 0.612 2.618 13.539 1.00 1.80 C ATOM 0 H LEU A 63 -2.505 2.434 13.879 1.00 2.04 H new ATOM 0 HA LEU A 63 -0.883 2.651 16.286 1.00 2.38 H new ATOM 0 HB2 LEU A 63 -1.508 4.396 13.897 1.00 2.49 H new ATOM 0 HB3 LEU A 63 -0.885 5.153 15.349 1.00 2.49 H new ATOM 0 HG LEU A 63 0.812 4.750 13.682 1.00 2.16 H new ATOM 0 HD11 LEU A 63 2.527 3.644 15.101 1.00 2.18 H new ATOM 0 HD12 LEU A 63 1.544 4.823 16.002 1.00 2.18 H new ATOM 0 HD13 LEU A 63 1.234 3.080 16.186 1.00 2.18 H new ATOM 0 HD21 LEU A 63 1.643 2.439 13.234 1.00 1.80 H new ATOM 0 HD22 LEU A 63 0.269 1.792 14.163 1.00 1.80 H new ATOM 0 HD23 LEU A 63 -0.021 2.691 12.654 1.00 1.80 H new ATOM 945 N GLY A 64 -3.912 3.874 16.112 1.00 3.04 N ATOM 946 CA GLY A 64 -5.033 4.464 16.850 1.00 3.62 C ATOM 947 C GLY A 64 -5.271 5.957 16.600 1.00 4.04 C ATOM 948 O GLY A 64 -5.914 6.604 17.427 1.00 4.53 O ATOM 0 H GLY A 64 -4.191 3.481 15.213 1.00 3.04 H new ATOM 0 HA2 GLY A 64 -5.942 3.920 16.592 1.00 3.62 H new ATOM 0 HA3 GLY A 64 -4.863 4.314 17.916 1.00 3.62 H new ATOM 952 N PHE A 65 -4.756 6.517 15.496 1.00 3.94 N ATOM 953 CA PHE A 65 -4.988 7.917 15.095 1.00 4.41 C ATOM 954 C PHE A 65 -5.273 8.082 13.588 1.00 4.15 C ATOM 955 O PHE A 65 -4.596 8.830 12.881 1.00 4.18 O ATOM 956 CB PHE A 65 -3.863 8.820 15.634 1.00 4.79 C ATOM 957 CG PHE A 65 -2.423 8.338 15.496 1.00 4.64 C ATOM 958 CD1 PHE A 65 -1.748 8.367 14.257 1.00 4.15 C ATOM 959 CD2 PHE A 65 -1.715 7.950 16.652 1.00 5.46 C ATOM 960 CE1 PHE A 65 -0.380 8.046 14.185 1.00 4.19 C ATOM 961 CE2 PHE A 65 -0.349 7.627 16.579 1.00 5.52 C ATOM 962 CZ PHE A 65 0.324 7.683 15.346 1.00 4.75 C ATOM 0 H PHE A 65 -4.159 6.006 14.846 1.00 3.94 H new ATOM 0 HA PHE A 65 -5.913 8.254 15.562 1.00 4.41 H new ATOM 0 HB2 PHE A 65 -3.941 9.784 15.132 1.00 4.79 H new ATOM 0 HB3 PHE A 65 -4.055 8.995 16.692 1.00 4.79 H new ATOM 0 HD1 PHE A 65 -2.284 8.637 13.359 1.00 4.15 H new ATOM 0 HD2 PHE A 65 -2.227 7.901 17.602 1.00 5.46 H new ATOM 0 HE1 PHE A 65 0.131 8.079 13.234 1.00 4.19 H new ATOM 0 HE2 PHE A 65 0.184 7.335 17.472 1.00 5.52 H new ATOM 0 HZ PHE A 65 1.377 7.448 15.291 1.00 4.75 H new ATOM 972 N LYS A 66 -6.277 7.357 13.077 1.00 3.95 N ATOM 973 CA LYS A 66 -6.577 7.279 11.632 1.00 3.68 C ATOM 974 C LYS A 66 -8.072 7.358 11.303 1.00 3.65 C ATOM 975 O LYS A 66 -8.457 8.155 10.444 1.00 3.64 O ATOM 976 CB LYS A 66 -5.903 6.004 11.083 1.00 3.44 C ATOM 977 CG LYS A 66 -6.074 5.748 9.574 1.00 3.19 C ATOM 978 CD LYS A 66 -5.352 6.758 8.660 1.00 3.25 C ATOM 979 CE LYS A 66 -6.236 7.949 8.271 1.00 3.59 C ATOM 980 NZ LYS A 66 -5.600 8.794 7.233 1.00 3.57 N ATOM 0 H LYS A 66 -6.910 6.803 13.654 1.00 3.95 H new ATOM 0 HA LYS A 66 -6.168 8.159 11.135 1.00 3.68 H new ATOM 0 HB2 LYS A 66 -4.837 6.056 11.304 1.00 3.44 H new ATOM 0 HB3 LYS A 66 -6.299 5.145 11.625 1.00 3.44 H new ATOM 0 HG2 LYS A 66 -5.708 4.747 9.346 1.00 3.19 H new ATOM 0 HG3 LYS A 66 -7.138 5.760 9.336 1.00 3.19 H new ATOM 0 HD2 LYS A 66 -4.459 7.125 9.166 1.00 3.25 H new ATOM 0 HD3 LYS A 66 -5.019 6.249 7.756 1.00 3.25 H new ATOM 0 HE2 LYS A 66 -7.196 7.584 7.904 1.00 3.59 H new ATOM 0 HE3 LYS A 66 -6.441 8.553 9.155 1.00 3.59 H new ATOM 0 HZ1 LYS A 66 -6.229 9.588 6.998 1.00 3.57 H new ATOM 0 HZ2 LYS A 66 -4.696 9.163 7.592 1.00 3.57 H new ATOM 0 HZ3 LYS A 66 -5.427 8.225 6.380 1.00 3.57 H new ATOM 994 N ILE A 67 -8.904 6.556 11.972 1.00 3.80 N ATOM 995 CA ILE A 67 -10.362 6.441 11.748 1.00 3.85 C ATOM 996 C ILE A 67 -11.146 6.315 13.046 1.00 4.12 C ATOM 997 O ILE A 67 -12.292 6.822 13.073 1.00 4.58 O ATOM 998 CB ILE A 67 -10.704 5.298 10.758 1.00 3.65 C ATOM 999 CG1 ILE A 67 -9.893 4.006 11.018 1.00 3.60 C ATOM 1000 CG2 ILE A 67 -10.529 5.812 9.321 1.00 3.51 C ATOM 1001 CD1 ILE A 67 -10.262 2.828 10.108 1.00 3.37 C ATOM 1002 OXT ILE A 67 -10.603 5.793 14.049 1.00 4.47 O ATOM 0 H ILE A 67 -8.575 5.941 12.716 1.00 3.80 H new ATOM 0 HA ILE A 67 -10.677 7.377 11.287 1.00 3.85 H new ATOM 0 HB ILE A 67 -11.744 5.011 10.914 1.00 3.65 H new ATOM 0 HG12 ILE A 67 -8.833 4.227 10.893 1.00 3.60 H new ATOM 0 HG13 ILE A 67 -10.036 3.705 12.056 1.00 3.60 H new ATOM 0 HG21 ILE A 67 -10.768 5.014 8.618 1.00 3.51 H new ATOM 0 HG22 ILE A 67 -11.198 6.656 9.153 1.00 3.51 H new ATOM 0 HG23 ILE A 67 -9.497 6.131 9.172 1.00 3.51 H new ATOM 0 HD11 ILE A 67 -9.645 1.966 10.360 1.00 3.37 H new ATOM 0 HD12 ILE A 67 -11.313 2.575 10.248 1.00 3.37 H new ATOM 0 HD13 ILE A 67 -10.091 3.104 9.068 1.00 3.37 H new TER 1014 ILE A 67