USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 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 43 LYS NZ :NH3+ -155:sc= 0.158 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc= -1.42 K(o=-1.3,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.00718 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0.0657 (180deg=0.0581) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00385 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 32 THR OG1 : rot -160:sc= 0 USER MOD Single : A 38 THR OG1 : rot 162:sc= 0.315 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -162:sc= 0.141 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 96:sc= 0.797 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc=-0.00801 (180deg=-0.136) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -1.79 USER MOD Single : A 59 SER OG : rot 142:sc= 0.724 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.212 K(o=-0.21,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.029 -9.437 10.490 1.00 13.00 N ATOM 2 CA GLY A 1 22.845 -10.203 9.227 1.00 45.03 C ATOM 3 C GLY A 1 23.168 -9.378 7.996 1.00 41.03 C ATOM 4 O GLY A 1 22.898 -8.178 7.957 1.00 70.10 O ATOM 0 H1 GLY A 1 23.935 -9.701 10.927 1.00 13.00 H new ATOM 0 H2 GLY A 1 23.029 -8.418 10.281 1.00 13.00 H new ATOM 0 H3 GLY A 1 22.252 -9.656 11.145 1.00 13.00 H new ATOM 0 HA2 GLY A 1 23.482 -11.087 9.246 1.00 45.03 H new ATOM 0 HA3 GLY A 1 21.815 -10.554 9.165 1.00 45.03 H new ATOM 10 N SER A 2 23.746 -10.023 6.988 1.00 61.55 N ATOM 11 CA SER A 2 24.106 -9.342 5.751 1.00 62.34 C ATOM 12 C SER A 2 22.963 -9.406 4.742 1.00 72.15 C ATOM 13 O SER A 2 22.614 -10.480 4.252 1.00 23.13 O ATOM 14 CB SER A 2 25.368 -9.964 5.150 1.00 41.51 C ATOM 15 OG SER A 2 26.196 -8.973 4.566 1.00 63.13 O ATOM 0 H SER A 2 23.975 -11.017 7.004 1.00 61.55 H new ATOM 0 HA SER A 2 24.302 -8.296 5.985 1.00 62.34 H new ATOM 0 HB2 SER A 2 25.921 -10.494 5.926 1.00 41.51 H new ATOM 0 HB3 SER A 2 25.091 -10.701 4.396 1.00 41.51 H new ATOM 0 HG SER A 2 26.997 -9.395 4.190 1.00 63.13 H new ATOM 21 N GLY A 3 22.385 -8.249 4.437 1.00 5.02 N ATOM 22 CA GLY A 3 21.288 -8.196 3.488 1.00 31.33 C ATOM 23 C GLY A 3 20.087 -9.001 3.945 1.00 14.51 C ATOM 24 O GLY A 3 20.140 -10.229 4.002 1.00 12.24 O ATOM 0 H GLY A 3 22.656 -7.348 4.830 1.00 5.02 H new ATOM 0 HA2 GLY A 3 20.990 -7.158 3.339 1.00 31.33 H new ATOM 0 HA3 GLY A 3 21.628 -8.572 2.523 1.00 31.33 H new ATOM 28 N MET A 4 19.001 -8.306 4.270 1.00 51.55 N ATOM 29 CA MET A 4 17.781 -8.965 4.723 1.00 51.14 C ATOM 30 C MET A 4 16.546 -8.243 4.194 1.00 52.23 C ATOM 31 O MET A 4 16.247 -7.122 4.603 1.00 50.10 O ATOM 32 CB MET A 4 17.742 -9.014 6.251 1.00 11.03 C ATOM 33 CG MET A 4 18.126 -7.701 6.913 1.00 1.15 C ATOM 34 SD MET A 4 17.174 -7.373 8.410 1.00 64.35 S ATOM 35 CE MET A 4 17.844 -8.611 9.516 1.00 33.40 C ATOM 0 H MET A 4 18.941 -7.289 4.228 1.00 51.55 H new ATOM 0 HA MET A 4 17.780 -9.983 4.333 1.00 51.14 H new ATOM 0 HB2 MET A 4 16.738 -9.293 6.572 1.00 11.03 H new ATOM 0 HB3 MET A 4 18.416 -9.797 6.598 1.00 11.03 H new ATOM 0 HG2 MET A 4 19.188 -7.720 7.159 1.00 1.15 H new ATOM 0 HG3 MET A 4 17.977 -6.885 6.206 1.00 1.15 H new ATOM 0 HE1 MET A 4 17.354 -8.535 10.487 1.00 33.40 H new ATOM 0 HE2 MET A 4 17.672 -9.603 9.099 1.00 33.40 H new ATOM 0 HE3 MET A 4 18.915 -8.449 9.637 1.00 33.40 H new ATOM 45 N LYS A 5 15.831 -8.896 3.283 1.00 31.03 N ATOM 46 CA LYS A 5 14.627 -8.318 2.699 1.00 2.22 C ATOM 47 C LYS A 5 13.381 -8.791 3.439 1.00 51.41 C ATOM 48 O LYS A 5 13.308 -9.937 3.885 1.00 72.14 O ATOM 49 CB LYS A 5 14.526 -8.686 1.218 1.00 15.00 C ATOM 50 CG LYS A 5 14.693 -10.173 0.949 1.00 33.32 C ATOM 51 CD LYS A 5 13.829 -10.629 -0.216 1.00 71.24 C ATOM 52 CE LYS A 5 13.901 -12.135 -0.406 1.00 11.02 C ATOM 53 NZ LYS A 5 13.102 -12.863 0.619 1.00 64.20 N ATOM 0 H LYS A 5 16.065 -9.825 2.934 1.00 31.03 H new ATOM 0 HA LYS A 5 14.693 -7.234 2.793 1.00 2.22 H new ATOM 0 HB2 LYS A 5 13.557 -8.363 0.837 1.00 15.00 H new ATOM 0 HB3 LYS A 5 15.287 -8.137 0.663 1.00 15.00 H new ATOM 0 HG2 LYS A 5 15.739 -10.390 0.734 1.00 33.32 H new ATOM 0 HG3 LYS A 5 14.428 -10.738 1.843 1.00 33.32 H new ATOM 0 HD2 LYS A 5 12.795 -10.332 -0.042 1.00 71.24 H new ATOM 0 HD3 LYS A 5 14.154 -10.130 -1.129 1.00 71.24 H new ATOM 0 HE2 LYS A 5 13.537 -12.393 -1.401 1.00 11.02 H new ATOM 0 HE3 LYS A 5 14.941 -12.458 -0.353 1.00 11.02 H new ATOM 0 HZ1 LYS A 5 13.094 -13.879 0.396 1.00 64.20 H new ATOM 0 HZ2 LYS A 5 13.527 -12.718 1.557 1.00 64.20 H new ATOM 0 HZ3 LYS A 5 12.127 -12.501 0.621 1.00 64.20 H new ATOM 67 N GLU A 6 12.400 -7.902 3.567 1.00 3.51 N ATOM 68 CA GLU A 6 11.156 -8.229 4.253 1.00 50.31 C ATOM 69 C GLU A 6 9.960 -8.060 3.322 1.00 74.12 C ATOM 70 O GLU A 6 9.327 -7.005 3.295 1.00 31.42 O ATOM 71 CB GLU A 6 10.983 -7.345 5.490 1.00 21.23 C ATOM 72 CG GLU A 6 11.906 -7.719 6.639 1.00 4.32 C ATOM 73 CD GLU A 6 11.887 -6.696 7.757 1.00 5.03 C ATOM 74 OE1 GLU A 6 10.874 -5.976 7.888 1.00 25.31 O ATOM 75 OE2 GLU A 6 12.884 -6.615 8.504 1.00 64.32 O ATOM 0 H GLU A 6 12.443 -6.950 3.204 1.00 3.51 H new ATOM 0 HA GLU A 6 11.206 -9.272 4.565 1.00 50.31 H new ATOM 0 HB2 GLU A 6 11.164 -6.307 5.213 1.00 21.23 H new ATOM 0 HB3 GLU A 6 9.949 -7.408 5.830 1.00 21.23 H new ATOM 0 HG2 GLU A 6 11.612 -8.691 7.035 1.00 4.32 H new ATOM 0 HG3 GLU A 6 12.924 -7.823 6.264 1.00 4.32 H new ATOM 82 N PHE A 7 9.658 -9.106 2.558 1.00 12.34 N ATOM 83 CA PHE A 7 8.536 -9.074 1.620 1.00 72.33 C ATOM 84 C PHE A 7 7.258 -8.591 2.303 1.00 64.42 C ATOM 85 O PHE A 7 7.188 -8.513 3.530 1.00 12.34 O ATOM 86 CB PHE A 7 8.296 -10.456 0.998 1.00 10.32 C ATOM 87 CG PHE A 7 8.694 -11.607 1.879 1.00 63.12 C ATOM 88 CD1 PHE A 7 8.118 -11.772 3.129 1.00 51.23 C ATOM 89 CD2 PHE A 7 9.645 -12.523 1.457 1.00 14.34 C ATOM 90 CE1 PHE A 7 8.482 -12.828 3.942 1.00 21.01 C ATOM 91 CE2 PHE A 7 10.013 -13.582 2.265 1.00 1.23 C ATOM 92 CZ PHE A 7 9.431 -13.735 3.509 1.00 33.20 C ATOM 0 H PHE A 7 10.173 -9.986 2.569 1.00 12.34 H new ATOM 0 HA PHE A 7 8.798 -8.372 0.829 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.239 -10.552 0.750 1.00 10.32 H new ATOM 0 HB3 PHE A 7 8.850 -10.522 0.062 1.00 10.32 H new ATOM 0 HD1 PHE A 7 7.376 -11.066 3.472 1.00 51.23 H new ATOM 0 HD2 PHE A 7 10.103 -12.408 0.486 1.00 14.34 H new ATOM 0 HE1 PHE A 7 8.026 -12.945 4.914 1.00 21.01 H new ATOM 0 HE2 PHE A 7 10.755 -14.289 1.925 1.00 1.23 H new ATOM 0 HZ PHE A 7 9.717 -14.562 4.142 1.00 33.20 H new ATOM 102 N PRO A 8 6.228 -8.255 1.509 1.00 43.45 N ATOM 103 CA PRO A 8 4.949 -7.777 2.024 1.00 73.54 C ATOM 104 C PRO A 8 3.983 -8.917 2.318 1.00 53.23 C ATOM 105 O PRO A 8 4.373 -10.085 2.335 1.00 60.40 O ATOM 106 CB PRO A 8 4.437 -6.931 0.864 1.00 63.11 C ATOM 107 CG PRO A 8 4.925 -7.648 -0.351 1.00 22.45 C ATOM 108 CD PRO A 8 6.224 -8.315 0.033 1.00 2.34 C ATOM 0 HA PRO A 8 5.045 -7.242 2.969 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.350 -6.857 0.874 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.826 -5.914 0.910 1.00 63.11 H new ATOM 0 HG2 PRO A 8 4.195 -8.385 -0.685 1.00 22.45 H new ATOM 0 HG3 PRO A 8 5.076 -6.953 -1.177 1.00 22.45 H new ATOM 0 HD2 PRO A 8 6.267 -9.343 -0.326 1.00 2.34 H new ATOM 0 HD3 PRO A 8 7.082 -7.793 -0.391 1.00 2.34 H new ATOM 116 N CYS A 9 2.718 -8.575 2.536 1.00 73.50 N ATOM 117 CA CYS A 9 1.698 -9.578 2.814 1.00 71.31 C ATOM 118 C CYS A 9 0.798 -9.780 1.599 1.00 50.22 C ATOM 119 O CYS A 9 0.243 -10.859 1.401 1.00 63.45 O ATOM 120 CB CYS A 9 0.862 -9.178 4.036 1.00 35.35 C ATOM 121 SG CYS A 9 -0.251 -7.760 3.764 1.00 61.45 S ATOM 0 H CYS A 9 2.376 -7.614 2.526 1.00 73.50 H new ATOM 0 HA CYS A 9 2.200 -10.520 3.034 1.00 71.31 H new ATOM 0 HB2 CYS A 9 0.266 -10.036 4.349 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.536 -8.941 4.859 1.00 35.35 H new ATOM 126 N TRP A 10 0.658 -8.735 0.788 1.00 35.33 N ATOM 127 CA TRP A 10 -0.175 -8.802 -0.407 1.00 21.04 C ATOM 128 C TRP A 10 0.453 -9.707 -1.463 1.00 44.23 C ATOM 129 O TRP A 10 -0.222 -10.148 -2.393 1.00 71.43 O ATOM 130 CB TRP A 10 -0.399 -7.402 -0.982 1.00 52.13 C ATOM 131 CG TRP A 10 0.857 -6.598 -1.132 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.408 -5.756 -0.210 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.710 -6.553 -2.279 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.554 -5.190 -0.714 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.762 -5.665 -1.983 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.689 -7.178 -3.526 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.780 -5.387 -2.892 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.699 -6.904 -4.428 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.733 -6.015 -4.107 1.00 22.11 C ATOM 0 H TRP A 10 1.110 -7.833 0.937 1.00 35.33 H new ATOM 0 HA TRP A 10 -1.138 -9.226 -0.121 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -0.879 -7.493 -1.956 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.090 -6.861 -0.336 1.00 52.13 H new ATOM 0 HD1 TRP A 10 1.002 -5.563 0.772 1.00 32.30 H new ATOM 0 HE1 TRP A 10 3.152 -4.525 -0.224 1.00 32.22 H new ATOM 0 HE3 TRP A 10 0.896 -7.865 -3.782 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.577 -4.701 -2.647 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.691 -7.383 -5.396 1.00 23.13 H new ATOM 0 HH2 TRP A 10 4.509 -5.821 -4.833 1.00 22.11 H new ATOM 150 N LEU A 11 1.746 -9.979 -1.316 1.00 50.21 N ATOM 151 CA LEU A 11 2.456 -10.831 -2.260 1.00 53.45 C ATOM 152 C LEU A 11 2.241 -12.309 -1.940 1.00 25.11 C ATOM 153 O LEU A 11 2.427 -13.171 -2.797 1.00 5.44 O ATOM 154 CB LEU A 11 3.948 -10.497 -2.250 1.00 42.15 C ATOM 155 CG LEU A 11 4.343 -9.304 -3.122 1.00 3.45 C ATOM 156 CD1 LEU A 11 5.824 -8.992 -2.966 1.00 40.54 C ATOM 157 CD2 LEU A 11 4.001 -9.578 -4.578 1.00 3.13 C ATOM 0 H LEU A 11 2.321 -9.622 -0.553 1.00 50.21 H new ATOM 0 HA LEU A 11 2.055 -10.642 -3.256 1.00 53.45 H new ATOM 0 HB2 LEU A 11 4.254 -10.296 -1.223 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.505 -11.373 -2.583 1.00 42.15 H new ATOM 0 HG LEU A 11 3.777 -8.432 -2.793 1.00 3.45 H new ATOM 0 HD11 LEU A 11 6.085 -8.140 -3.594 1.00 40.54 H new ATOM 0 HD12 LEU A 11 6.038 -8.753 -1.924 1.00 40.54 H new ATOM 0 HD13 LEU A 11 6.412 -9.859 -3.267 1.00 40.54 H new ATOM 0 HD21 LEU A 11 4.288 -8.720 -5.187 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.541 -10.461 -4.919 1.00 3.13 H new ATOM 0 HD23 LEU A 11 2.929 -9.749 -4.674 1.00 3.13 H new ATOM 169 N VAL A 12 1.847 -12.595 -0.701 1.00 72.05 N ATOM 170 CA VAL A 12 1.606 -13.970 -0.275 1.00 61.41 C ATOM 171 C VAL A 12 0.206 -14.140 0.320 1.00 70.23 C ATOM 172 O VAL A 12 -0.169 -15.236 0.735 1.00 21.03 O ATOM 173 CB VAL A 12 2.649 -14.428 0.763 1.00 12.31 C ATOM 174 CG1 VAL A 12 3.965 -14.769 0.081 1.00 64.41 C ATOM 175 CG2 VAL A 12 2.851 -13.361 1.829 1.00 31.11 C ATOM 0 H VAL A 12 1.688 -11.894 0.023 1.00 72.05 H new ATOM 0 HA VAL A 12 1.690 -14.589 -1.168 1.00 61.41 H new ATOM 0 HB VAL A 12 2.276 -15.327 1.253 1.00 12.31 H new ATOM 0 HG11 VAL A 12 4.690 -15.090 0.829 1.00 64.41 H new ATOM 0 HG12 VAL A 12 3.805 -15.573 -0.638 1.00 64.41 H new ATOM 0 HG13 VAL A 12 4.345 -13.889 -0.438 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.591 -13.704 2.552 1.00 31.11 H new ATOM 0 HG22 VAL A 12 3.201 -12.441 1.361 1.00 31.11 H new ATOM 0 HG23 VAL A 12 1.906 -13.173 2.339 1.00 31.11 H new ATOM 185 N GLU A 13 -0.564 -13.054 0.360 1.00 30.51 N ATOM 186 CA GLU A 13 -1.918 -13.094 0.904 1.00 62.23 C ATOM 187 C GLU A 13 -2.866 -12.247 0.061 1.00 71.05 C ATOM 188 O GLU A 13 -2.429 -11.446 -0.765 1.00 13.44 O ATOM 189 CB GLU A 13 -1.932 -12.591 2.351 1.00 35.34 C ATOM 190 CG GLU A 13 -1.021 -13.373 3.285 1.00 12.21 C ATOM 191 CD GLU A 13 -0.106 -12.476 4.097 1.00 22.13 C ATOM 192 OE1 GLU A 13 -0.567 -11.928 5.120 1.00 73.20 O ATOM 193 OE2 GLU A 13 1.071 -12.322 3.709 1.00 73.11 O ATOM 0 H GLU A 13 -0.273 -12.137 0.022 1.00 30.51 H new ATOM 0 HA GLU A 13 -2.256 -14.130 0.882 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -1.635 -11.542 2.364 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -2.952 -12.638 2.732 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.630 -13.972 3.962 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -0.417 -14.067 2.700 1.00 12.21 H new ATOM 200 N GLU A 14 -4.165 -12.423 0.280 1.00 64.30 N ATOM 201 CA GLU A 14 -5.171 -11.666 -0.455 1.00 13.44 C ATOM 202 C GLU A 14 -5.333 -10.273 0.145 1.00 41.45 C ATOM 203 O GLU A 14 -5.806 -10.124 1.271 1.00 52.02 O ATOM 204 CB GLU A 14 -6.512 -12.405 -0.444 1.00 52.51 C ATOM 205 CG GLU A 14 -7.183 -12.439 0.920 1.00 60.12 C ATOM 206 CD GLU A 14 -7.827 -13.778 1.220 1.00 4.11 C ATOM 207 OE1 GLU A 14 -7.293 -14.810 0.763 1.00 61.43 O ATOM 208 OE2 GLU A 14 -8.867 -13.795 1.911 1.00 13.01 O ATOM 0 H GLU A 14 -4.545 -13.082 0.959 1.00 64.30 H new ATOM 0 HA GLU A 14 -4.838 -11.565 -1.488 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -7.184 -11.929 -1.158 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -6.355 -13.428 -0.787 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -6.445 -12.215 1.690 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -7.941 -11.657 0.968 1.00 60.12 H new ATOM 215 N PHE A 15 -4.929 -9.257 -0.607 1.00 62.02 N ATOM 216 CA PHE A 15 -5.026 -7.882 -0.137 1.00 62.31 C ATOM 217 C PHE A 15 -6.307 -7.217 -0.632 1.00 64.22 C ATOM 218 O PHE A 15 -6.708 -7.395 -1.782 1.00 62.13 O ATOM 219 CB PHE A 15 -3.796 -7.080 -0.579 1.00 15.21 C ATOM 220 CG PHE A 15 -3.862 -6.580 -1.997 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.621 -5.466 -2.318 1.00 11.34 C ATOM 222 CD2 PHE A 15 -3.160 -7.221 -3.005 1.00 73.42 C ATOM 223 CE1 PHE A 15 -4.680 -5.002 -3.617 1.00 35.01 C ATOM 224 CE2 PHE A 15 -3.216 -6.761 -4.306 1.00 0.35 C ATOM 225 CZ PHE A 15 -3.977 -5.649 -4.612 1.00 31.13 C ATOM 0 H PHE A 15 -4.533 -9.359 -1.541 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.060 -7.899 0.952 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -3.672 -6.228 0.089 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -2.910 -7.704 -0.467 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.173 -4.955 -1.543 1.00 11.34 H new ATOM 0 HD2 PHE A 15 -2.563 -8.090 -2.771 1.00 73.42 H new ATOM 0 HE1 PHE A 15 -5.276 -4.133 -3.854 1.00 35.01 H new ATOM 0 HE2 PHE A 15 -2.666 -7.270 -5.083 1.00 0.35 H new ATOM 0 HZ PHE A 15 -4.021 -5.287 -5.629 1.00 31.13 H new ATOM 235 N VAL A 16 -6.942 -6.449 0.246 1.00 2.41 N ATOM 236 CA VAL A 16 -8.174 -5.751 -0.097 1.00 31.43 C ATOM 237 C VAL A 16 -8.001 -4.243 0.041 1.00 22.11 C ATOM 238 O VAL A 16 -7.746 -3.735 1.133 1.00 75.14 O ATOM 239 CB VAL A 16 -9.347 -6.205 0.794 1.00 42.12 C ATOM 240 CG1 VAL A 16 -9.842 -7.577 0.366 1.00 43.11 C ATOM 241 CG2 VAL A 16 -8.933 -6.211 2.258 1.00 44.24 C ATOM 0 H VAL A 16 -6.623 -6.294 1.202 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.401 -5.999 -1.134 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.166 -5.496 0.675 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -10.670 -7.881 1.006 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.180 -7.535 -0.669 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.031 -8.300 0.454 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -9.773 -6.534 2.872 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.097 -6.897 2.397 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.631 -5.207 2.555 1.00 44.24 H new ATOM 251 N VAL A 17 -8.136 -3.531 -1.073 1.00 45.11 N ATOM 252 CA VAL A 17 -7.988 -2.080 -1.072 1.00 30.33 C ATOM 253 C VAL A 17 -8.991 -1.425 -0.130 1.00 63.52 C ATOM 254 O VAL A 17 -10.123 -1.135 -0.516 1.00 3.11 O ATOM 255 CB VAL A 17 -8.169 -1.492 -2.485 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.864 0.000 -2.487 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.290 -2.225 -3.487 1.00 3.11 C ATOM 0 H VAL A 17 -8.347 -3.934 -1.986 1.00 45.11 H new ATOM 0 HA VAL A 17 -6.976 -1.868 -0.727 1.00 30.33 H new ATOM 0 HB VAL A 17 -9.209 -1.627 -2.783 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -7.997 0.397 -3.493 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.541 0.511 -1.803 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.835 0.161 -2.167 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.432 -1.795 -4.479 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -6.245 -2.126 -3.195 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.563 -3.280 -3.507 1.00 3.11 H new ATOM 267 N ALA A 18 -8.563 -1.183 1.105 1.00 24.25 N ATOM 268 CA ALA A 18 -9.420 -0.549 2.099 1.00 24.50 C ATOM 269 C ALA A 18 -9.306 0.968 2.012 1.00 10.51 C ATOM 270 O ALA A 18 -10.237 1.695 2.362 1.00 72.45 O ATOM 271 CB ALA A 18 -9.058 -1.030 3.496 1.00 51.34 C ATOM 0 H ALA A 18 -7.628 -1.416 1.441 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.453 -0.829 1.893 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.707 -0.547 4.227 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.188 -2.111 3.554 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -8.020 -0.777 3.710 1.00 51.34 H new ATOM 277 N GLU A 19 -8.157 1.437 1.537 1.00 44.14 N ATOM 278 CA GLU A 19 -7.906 2.865 1.393 1.00 31.20 C ATOM 279 C GLU A 19 -7.155 3.143 0.096 1.00 13.33 C ATOM 280 O GLU A 19 -6.011 2.722 -0.067 1.00 51.44 O ATOM 281 CB GLU A 19 -7.093 3.382 2.582 1.00 2.32 C ATOM 282 CG GLU A 19 -7.643 2.951 3.931 1.00 73.04 C ATOM 283 CD GLU A 19 -7.683 4.087 4.935 1.00 2.05 C ATOM 284 OE1 GLU A 19 -7.998 5.225 4.530 1.00 12.41 O ATOM 285 OE2 GLU A 19 -7.400 3.837 6.126 1.00 60.55 O ATOM 0 H GLU A 19 -7.381 0.844 1.244 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.865 3.383 1.365 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -6.066 3.030 2.489 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -7.061 4.471 2.543 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.649 2.553 3.799 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -7.029 2.142 4.328 1.00 73.04 H new ATOM 292 N GLU A 20 -7.799 3.853 -0.827 1.00 40.43 N ATOM 293 CA GLU A 20 -7.174 4.178 -2.108 1.00 21.44 C ATOM 294 C GLU A 20 -5.772 4.741 -1.896 1.00 4.42 C ATOM 295 O GLU A 20 -5.379 5.039 -0.769 1.00 22.04 O ATOM 296 CB GLU A 20 -8.023 5.179 -2.898 1.00 70.02 C ATOM 297 CG GLU A 20 -8.772 6.180 -2.033 1.00 42.32 C ATOM 298 CD GLU A 20 -7.873 6.874 -1.029 1.00 42.34 C ATOM 299 OE1 GLU A 20 -6.821 7.406 -1.443 1.00 12.54 O ATOM 300 OE2 GLU A 20 -8.221 6.887 0.170 1.00 64.14 O ATOM 0 H GLU A 20 -8.747 4.213 -0.714 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.102 3.255 -2.684 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -7.376 5.723 -3.587 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -8.743 4.629 -3.504 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -9.240 6.928 -2.673 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -9.574 5.667 -1.502 1.00 42.32 H new ATOM 307 N CYS A 21 -5.019 4.872 -2.981 1.00 30.53 N ATOM 308 CA CYS A 21 -3.660 5.385 -2.890 1.00 64.42 C ATOM 309 C CYS A 21 -3.619 6.885 -3.151 1.00 40.01 C ATOM 310 O CYS A 21 -4.353 7.403 -3.992 1.00 62.45 O ATOM 311 CB CYS A 21 -2.736 4.650 -3.860 1.00 45.44 C ATOM 312 SG CYS A 21 -3.077 4.958 -5.620 1.00 71.30 S ATOM 0 H CYS A 21 -5.323 4.633 -3.925 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.307 5.208 -1.874 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.706 4.938 -3.648 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.812 3.579 -3.672 1.00 45.44 H new ATOM 317 N SER A 22 -2.759 7.578 -2.414 1.00 65.32 N ATOM 318 CA SER A 22 -2.621 9.024 -2.551 1.00 10.12 C ATOM 319 C SER A 22 -1.153 9.444 -2.580 1.00 65.14 C ATOM 320 O SER A 22 -0.268 8.670 -2.217 1.00 32.50 O ATOM 321 CB SER A 22 -3.346 9.736 -1.408 1.00 25.22 C ATOM 322 OG SER A 22 -4.672 10.075 -1.776 1.00 65.11 O ATOM 0 H SER A 22 -2.145 7.161 -1.714 1.00 65.32 H new ATOM 0 HA SER A 22 -3.074 9.313 -3.499 1.00 10.12 H new ATOM 0 HB2 SER A 22 -3.363 9.093 -0.528 1.00 25.22 H new ATOM 0 HB3 SER A 22 -2.800 10.638 -1.133 1.00 25.22 H new ATOM 0 HG SER A 22 -5.114 10.527 -1.027 1.00 65.11 H new ATOM 328 N PRO A 23 -0.880 10.689 -3.015 1.00 12.03 N ATOM 329 CA PRO A 23 0.481 11.224 -3.095 1.00 21.13 C ATOM 330 C PRO A 23 1.326 10.882 -1.871 1.00 45.21 C ATOM 331 O PRO A 23 0.799 10.605 -0.795 1.00 51.53 O ATOM 332 CB PRO A 23 0.251 12.731 -3.180 1.00 35.35 C ATOM 333 CG PRO A 23 -1.062 12.870 -3.870 1.00 55.13 C ATOM 334 CD PRO A 23 -1.885 11.674 -3.462 1.00 54.30 C ATOM 0 HA PRO A 23 1.034 10.806 -3.936 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.229 13.186 -2.190 1.00 35.35 H new ATOM 0 HB3 PRO A 23 1.047 13.223 -3.739 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.556 13.798 -3.582 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -0.931 12.901 -4.952 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.583 11.923 -2.663 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.476 11.292 -4.295 1.00 54.30 H new ATOM 342 N CYS A 24 2.643 10.906 -2.051 1.00 64.21 N ATOM 343 CA CYS A 24 3.573 10.601 -0.970 1.00 41.12 C ATOM 344 C CYS A 24 4.332 11.852 -0.538 1.00 42.30 C ATOM 345 O CYS A 24 5.054 12.455 -1.332 1.00 75.22 O ATOM 346 CB CYS A 24 4.559 9.522 -1.418 1.00 22.43 C ATOM 347 SG CYS A 24 3.773 7.954 -1.910 1.00 62.54 S ATOM 0 H CYS A 24 3.091 11.134 -2.938 1.00 64.21 H new ATOM 0 HA CYS A 24 3.001 10.234 -0.118 1.00 41.12 H new ATOM 0 HB2 CYS A 24 5.141 9.903 -2.257 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.260 9.326 -0.606 1.00 22.43 H new ATOM 352 N SER A 25 4.164 12.236 0.723 1.00 62.44 N ATOM 353 CA SER A 25 4.835 13.415 1.260 1.00 2.22 C ATOM 354 C SER A 25 6.348 13.308 1.090 1.00 70.25 C ATOM 355 O SER A 25 6.845 12.399 0.425 1.00 14.45 O ATOM 356 CB SER A 25 4.488 13.596 2.739 1.00 74.44 C ATOM 357 OG SER A 25 3.096 13.449 2.959 1.00 60.02 O ATOM 0 H SER A 25 3.569 11.748 1.393 1.00 62.44 H new ATOM 0 HA SER A 25 4.487 14.284 0.702 1.00 2.22 H new ATOM 0 HB2 SER A 25 5.033 12.864 3.336 1.00 74.44 H new ATOM 0 HB3 SER A 25 4.810 14.582 3.073 1.00 74.44 H new ATOM 0 HG SER A 25 2.901 13.568 3.912 1.00 60.02 H new ATOM 363 N ASN A 26 7.074 14.243 1.694 1.00 2.45 N ATOM 364 CA ASN A 26 8.530 14.253 1.609 1.00 61.34 C ATOM 365 C ASN A 26 9.124 13.009 2.262 1.00 52.52 C ATOM 366 O ASN A 26 10.173 12.518 1.844 1.00 3.14 O ATOM 367 CB ASN A 26 9.091 15.510 2.276 1.00 2.43 C ATOM 368 CG ASN A 26 9.154 16.690 1.325 1.00 24.53 C ATOM 369 OD1 ASN A 26 8.439 16.735 0.325 1.00 4.30 O ATOM 370 ND2 ASN A 26 10.013 17.653 1.635 1.00 71.53 N ATOM 0 H ASN A 26 6.678 15.003 2.247 1.00 2.45 H new ATOM 0 HA ASN A 26 8.807 14.254 0.555 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.471 15.771 3.134 1.00 2.43 H new ATOM 0 HB3 ASN A 26 10.090 15.300 2.657 1.00 2.43 H new ATOM 0 HD21 ASN A 26 10.100 18.472 1.033 1.00 71.53 H new ATOM 0 HD22 ASN A 26 10.586 17.574 2.475 1.00 71.53 H new ATOM 377 N PHE A 27 8.447 12.505 3.289 1.00 41.14 N ATOM 378 CA PHE A 27 8.909 11.318 3.999 1.00 41.32 C ATOM 379 C PHE A 27 8.305 10.053 3.400 1.00 71.23 C ATOM 380 O PHE A 27 8.915 8.984 3.435 1.00 42.14 O ATOM 381 CB PHE A 27 8.550 11.415 5.483 1.00 24.41 C ATOM 382 CG PHE A 27 9.599 12.102 6.311 1.00 14.35 C ATOM 383 CD1 PHE A 27 10.812 11.483 6.568 1.00 4.42 C ATOM 384 CD2 PHE A 27 9.371 13.365 6.832 1.00 64.20 C ATOM 385 CE1 PHE A 27 11.779 12.111 7.329 1.00 72.30 C ATOM 386 CE2 PHE A 27 10.334 13.998 7.595 1.00 5.30 C ATOM 387 CZ PHE A 27 11.539 13.372 7.843 1.00 64.12 C ATOM 0 H PHE A 27 7.578 12.900 3.648 1.00 41.14 H new ATOM 0 HA PHE A 27 9.993 11.264 3.896 1.00 41.32 H new ATOM 0 HB2 PHE A 27 7.608 11.953 5.586 1.00 24.41 H new ATOM 0 HB3 PHE A 27 8.389 10.411 5.876 1.00 24.41 H new ATOM 0 HD1 PHE A 27 11.004 10.498 6.169 1.00 4.42 H new ATOM 0 HD2 PHE A 27 8.431 13.860 6.640 1.00 64.20 H new ATOM 0 HE1 PHE A 27 12.720 11.618 7.522 1.00 72.30 H new ATOM 0 HE2 PHE A 27 10.144 14.982 7.997 1.00 5.30 H new ATOM 0 HZ PHE A 27 12.293 13.866 8.438 1.00 64.12 H new ATOM 397 N ARG A 28 7.101 10.181 2.850 1.00 22.22 N ATOM 398 CA ARG A 28 6.413 9.046 2.244 1.00 53.32 C ATOM 399 C ARG A 28 7.074 8.646 0.929 1.00 23.30 C ATOM 400 O ARG A 28 7.238 7.461 0.640 1.00 30.43 O ATOM 401 CB ARG A 28 4.941 9.385 2.006 1.00 15.32 C ATOM 402 CG ARG A 28 4.084 8.173 1.678 1.00 53.34 C ATOM 403 CD ARG A 28 2.999 7.954 2.720 1.00 33.12 C ATOM 404 NE ARG A 28 2.474 6.591 2.688 1.00 10.41 N ATOM 405 CZ ARG A 28 1.310 6.232 3.225 1.00 5.44 C ATOM 406 NH1 ARG A 28 0.548 7.130 3.837 1.00 3.24 N ATOM 407 NH2 ARG A 28 0.907 4.970 3.150 1.00 51.31 N ATOM 0 H ARG A 28 6.582 11.058 2.812 1.00 22.22 H new ATOM 0 HA ARG A 28 6.479 8.203 2.932 1.00 53.32 H new ATOM 0 HB2 ARG A 28 4.541 9.873 2.895 1.00 15.32 H new ATOM 0 HB3 ARG A 28 4.869 10.102 1.189 1.00 15.32 H new ATOM 0 HG2 ARG A 28 3.626 8.306 0.698 1.00 53.34 H new ATOM 0 HG3 ARG A 28 4.715 7.286 1.618 1.00 53.34 H new ATOM 0 HD2 ARG A 28 3.401 8.164 3.711 1.00 33.12 H new ATOM 0 HD3 ARG A 28 2.186 8.659 2.550 1.00 33.12 H new ATOM 0 HE ARG A 28 3.032 5.872 2.227 1.00 10.41 H new ATOM 0 HH11 ARG A 28 0.853 8.101 3.898 1.00 3.24 H new ATOM 0 HH12 ARG A 28 -0.343 6.849 4.246 1.00 3.24 H new ATOM 0 HH21 ARG A 28 1.489 4.276 2.681 1.00 51.31 H new ATOM 0 HH22 ARG A 28 0.015 4.694 3.561 1.00 51.31 H new ATOM 421 N ALA A 29 7.448 9.643 0.133 1.00 64.15 N ATOM 422 CA ALA A 29 8.087 9.394 -1.154 1.00 43.54 C ATOM 423 C ALA A 29 9.497 8.840 -0.978 1.00 41.43 C ATOM 424 O ALA A 29 10.013 8.144 -1.853 1.00 0.32 O ATOM 425 CB ALA A 29 8.120 10.671 -1.980 1.00 22.10 C ATOM 0 H ALA A 29 7.320 10.630 0.357 1.00 64.15 H new ATOM 0 HA ALA A 29 7.498 8.644 -1.682 1.00 43.54 H new ATOM 0 HB1 ALA A 29 8.599 10.472 -2.938 1.00 22.10 H new ATOM 0 HB2 ALA A 29 7.102 11.021 -2.149 1.00 22.10 H new ATOM 0 HB3 ALA A 29 8.682 11.436 -1.445 1.00 22.10 H new ATOM 431 N LYS A 30 10.120 9.156 0.153 1.00 63.32 N ATOM 432 CA LYS A 30 11.474 8.690 0.434 1.00 21.21 C ATOM 433 C LYS A 30 11.455 7.394 1.239 1.00 71.31 C ATOM 434 O LYS A 30 12.361 6.568 1.125 1.00 20.25 O ATOM 435 CB LYS A 30 12.257 9.763 1.193 1.00 54.31 C ATOM 436 CG LYS A 30 12.989 10.738 0.286 1.00 43.22 C ATOM 437 CD LYS A 30 12.037 11.417 -0.686 1.00 73.04 C ATOM 438 CE LYS A 30 12.790 12.123 -1.802 1.00 54.22 C ATOM 439 NZ LYS A 30 12.082 12.012 -3.107 1.00 13.54 N ATOM 0 H LYS A 30 9.710 9.732 0.889 1.00 63.32 H new ATOM 0 HA LYS A 30 11.965 8.494 -0.519 1.00 21.21 H new ATOM 0 HB2 LYS A 30 11.570 10.319 1.831 1.00 54.31 H new ATOM 0 HB3 LYS A 30 12.980 9.278 1.849 1.00 54.31 H new ATOM 0 HG2 LYS A 30 13.492 11.492 0.891 1.00 43.22 H new ATOM 0 HG3 LYS A 30 13.762 10.208 -0.270 1.00 43.22 H new ATOM 0 HD2 LYS A 30 11.362 10.676 -1.114 1.00 73.04 H new ATOM 0 HD3 LYS A 30 11.420 12.138 -0.149 1.00 73.04 H new ATOM 0 HE2 LYS A 30 12.916 13.175 -1.546 1.00 54.22 H new ATOM 0 HE3 LYS A 30 13.788 11.695 -1.893 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 12.628 12.506 -3.841 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 11.984 11.009 -3.365 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 11.139 12.443 -3.028 1.00 13.54 H new ATOM 453 N THR A 31 10.421 7.223 2.056 1.00 61.53 N ATOM 454 CA THR A 31 10.291 6.027 2.882 1.00 13.24 C ATOM 455 C THR A 31 9.572 4.913 2.126 1.00 42.45 C ATOM 456 O THR A 31 10.075 3.795 2.024 1.00 34.10 O ATOM 457 CB THR A 31 9.535 6.353 4.171 1.00 11.02 C ATOM 458 OG1 THR A 31 10.179 7.397 4.879 1.00 32.44 O ATOM 459 CG2 THR A 31 9.412 5.171 5.108 1.00 22.32 C ATOM 0 H THR A 31 9.662 7.896 2.164 1.00 61.53 H new ATOM 0 HA THR A 31 11.294 5.680 3.132 1.00 13.24 H new ATOM 0 HB THR A 31 8.535 6.649 3.853 1.00 11.02 H new ATOM 0 HG1 THR A 31 9.737 8.249 4.680 1.00 32.44 H new ATOM 0 HG21 THR A 31 8.865 5.471 6.002 1.00 22.32 H new ATOM 0 HG22 THR A 31 8.875 4.365 4.608 1.00 22.32 H new ATOM 0 HG23 THR A 31 10.406 4.825 5.390 1.00 22.32 H new ATOM 467 N THR A 32 8.393 5.226 1.600 1.00 45.15 N ATOM 468 CA THR A 32 7.604 4.251 0.857 1.00 43.11 C ATOM 469 C THR A 32 8.090 4.140 -0.588 1.00 2.54 C ATOM 470 O THR A 32 8.037 5.112 -1.343 1.00 63.31 O ATOM 471 CB THR A 32 6.125 4.642 0.879 1.00 61.10 C ATOM 472 OG1 THR A 32 5.645 4.712 2.210 1.00 32.05 O ATOM 473 CG2 THR A 32 5.236 3.678 0.122 1.00 2.45 C ATOM 0 H THR A 32 7.963 6.148 1.675 1.00 45.15 H new ATOM 0 HA THR A 32 7.727 3.280 1.337 1.00 43.11 H new ATOM 0 HB THR A 32 6.078 5.614 0.388 1.00 61.10 H new ATOM 0 HG1 THR A 32 4.667 4.646 2.209 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.201 4.016 0.179 1.00 2.45 H new ATOM 0 HG22 THR A 32 5.548 3.638 -0.922 1.00 2.45 H new ATOM 0 HG23 THR A 32 5.318 2.685 0.563 1.00 2.45 H new ATOM 481 N PRO A 33 8.569 2.949 -1.000 1.00 11.43 N ATOM 482 CA PRO A 33 9.058 2.727 -2.364 1.00 45.13 C ATOM 483 C PRO A 33 7.929 2.651 -3.387 1.00 31.43 C ATOM 484 O PRO A 33 8.178 2.552 -4.589 1.00 12.40 O ATOM 485 CB PRO A 33 9.778 1.384 -2.267 1.00 10.30 C ATOM 486 CG PRO A 33 9.098 0.671 -1.150 1.00 12.03 C ATOM 487 CD PRO A 33 8.670 1.731 -0.171 1.00 41.42 C ATOM 0 HA PRO A 33 9.692 3.546 -2.704 1.00 45.13 H new ATOM 0 HB2 PRO A 33 9.700 0.825 -3.199 1.00 10.30 H new ATOM 0 HB3 PRO A 33 10.840 1.518 -2.063 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.239 0.108 -1.514 1.00 12.03 H new ATOM 0 HG3 PRO A 33 9.771 -0.045 -0.678 1.00 12.03 H new ATOM 0 HD2 PRO A 33 7.717 1.484 0.296 1.00 41.42 H new ATOM 0 HD3 PRO A 33 9.397 1.852 0.632 1.00 41.42 H new ATOM 495 N GLU A 34 6.688 2.701 -2.911 1.00 11.32 N ATOM 496 CA GLU A 34 5.527 2.640 -3.792 1.00 53.25 C ATOM 497 C GLU A 34 5.096 4.040 -4.219 1.00 10.23 C ATOM 498 O GLU A 34 3.904 4.337 -4.299 1.00 54.24 O ATOM 499 CB GLU A 34 4.369 1.926 -3.091 1.00 63.21 C ATOM 500 CG GLU A 34 4.398 0.415 -3.256 1.00 20.42 C ATOM 501 CD GLU A 34 5.274 -0.267 -2.224 1.00 61.21 C ATOM 502 OE1 GLU A 34 5.535 0.346 -1.168 1.00 20.23 O ATOM 503 OE2 GLU A 34 5.700 -1.415 -2.472 1.00 71.10 O ATOM 0 H GLU A 34 6.461 2.784 -1.920 1.00 11.32 H new ATOM 0 HA GLU A 34 5.804 2.078 -4.684 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.394 2.168 -2.028 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.427 2.308 -3.483 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.383 0.025 -3.180 1.00 20.42 H new ATOM 0 HG3 GLU A 34 4.760 0.169 -4.254 1.00 20.42 H new ATOM 510 N CYS A 35 6.074 4.898 -4.492 1.00 34.03 N ATOM 511 CA CYS A 35 5.801 6.267 -4.910 1.00 51.31 C ATOM 512 C CYS A 35 6.657 6.658 -6.115 1.00 2.43 C ATOM 513 O CYS A 35 6.707 7.827 -6.495 1.00 20.32 O ATOM 514 CB CYS A 35 6.064 7.229 -3.754 1.00 24.41 C ATOM 515 SG CYS A 35 5.343 6.695 -2.169 1.00 51.41 S ATOM 0 H CYS A 35 7.066 4.667 -4.431 1.00 34.03 H new ATOM 0 HA CYS A 35 4.753 6.328 -5.202 1.00 51.31 H new ATOM 0 HB2 CYS A 35 7.141 7.347 -3.631 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.663 8.209 -4.012 1.00 24.41 H new ATOM 520 N GLY A 36 7.334 5.677 -6.708 1.00 63.22 N ATOM 521 CA GLY A 36 8.180 5.948 -7.854 1.00 52.33 C ATOM 522 C GLY A 36 7.435 5.889 -9.178 1.00 55.01 C ATOM 523 O GLY A 36 7.622 6.759 -10.030 1.00 64.32 O ATOM 0 H GLY A 36 7.310 4.701 -6.414 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.628 6.935 -7.741 1.00 52.33 H new ATOM 0 HA3 GLY A 36 8.997 5.227 -7.872 1.00 52.33 H new ATOM 527 N PRO A 37 6.589 4.867 -9.391 1.00 73.14 N ATOM 528 CA PRO A 37 5.838 4.715 -10.636 1.00 23.15 C ATOM 529 C PRO A 37 4.560 5.549 -10.670 1.00 63.30 C ATOM 530 O PRO A 37 4.294 6.250 -11.647 1.00 0.41 O ATOM 531 CB PRO A 37 5.507 3.225 -10.651 1.00 62.32 C ATOM 532 CG PRO A 37 5.407 2.839 -9.213 1.00 11.42 C ATOM 533 CD PRO A 37 6.308 3.772 -8.443 1.00 1.33 C ATOM 0 HA PRO A 37 6.407 5.058 -11.500 1.00 23.15 H new ATOM 0 HB2 PRO A 37 4.572 3.033 -11.177 1.00 62.32 H new ATOM 0 HB3 PRO A 37 6.283 2.653 -11.160 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.378 2.920 -8.863 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.712 1.802 -9.070 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.821 4.142 -7.541 1.00 1.33 H new ATOM 0 HD3 PRO A 37 7.224 3.272 -8.129 1.00 1.33 H new ATOM 541 N THR A 38 3.767 5.465 -9.608 1.00 72.51 N ATOM 542 CA THR A 38 2.513 6.209 -9.532 1.00 5.33 C ATOM 543 C THR A 38 2.612 7.372 -8.555 1.00 31.43 C ATOM 544 O THR A 38 1.851 8.335 -8.646 1.00 73.30 O ATOM 545 CB THR A 38 1.370 5.289 -9.095 1.00 71.42 C ATOM 546 OG1 THR A 38 0.219 6.044 -8.768 1.00 73.30 O ATOM 547 CG2 THR A 38 1.715 4.436 -7.893 1.00 44.04 C ATOM 0 H THR A 38 3.968 4.891 -8.789 1.00 72.51 H new ATOM 0 HA THR A 38 2.311 6.603 -10.528 1.00 5.33 H new ATOM 0 HB THR A 38 1.185 4.633 -9.945 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.568 5.460 -8.775 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.862 3.808 -7.636 1.00 44.04 H new ATOM 0 HG22 THR A 38 2.572 3.805 -8.128 1.00 44.04 H new ATOM 0 HG23 THR A 38 1.959 5.080 -7.048 1.00 44.04 H new ATOM 555 N GLY A 39 3.527 7.267 -7.598 1.00 33.13 N ATOM 556 CA GLY A 39 3.664 8.311 -6.602 1.00 62.14 C ATOM 557 C GLY A 39 2.455 8.356 -5.686 1.00 14.14 C ATOM 558 O GLY A 39 2.257 9.321 -4.947 1.00 32.31 O ATOM 0 H GLY A 39 4.172 6.483 -7.495 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.564 8.139 -6.012 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.786 9.275 -7.096 1.00 62.14 H new ATOM 562 N TYR A 40 1.647 7.298 -5.744 1.00 12.43 N ATOM 563 CA TYR A 40 0.444 7.186 -4.933 1.00 72.12 C ATOM 564 C TYR A 40 0.436 5.851 -4.196 1.00 52.23 C ATOM 565 O TYR A 40 0.549 4.795 -4.817 1.00 63.24 O ATOM 566 CB TYR A 40 -0.795 7.294 -5.825 1.00 3.43 C ATOM 567 CG TYR A 40 -0.815 8.539 -6.686 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.483 9.778 -6.155 1.00 11.45 C ATOM 569 CD2 TYR A 40 -1.165 8.473 -8.030 1.00 71.14 C ATOM 570 CE1 TYR A 40 -0.498 10.917 -6.938 1.00 41.14 C ATOM 571 CE2 TYR A 40 -1.182 9.607 -8.819 1.00 4.45 C ATOM 572 CZ TYR A 40 -0.849 10.826 -8.268 1.00 61.44 C ATOM 573 OH TYR A 40 -0.864 11.958 -9.051 1.00 3.50 O ATOM 0 H TYR A 40 1.811 6.498 -6.355 1.00 12.43 H new ATOM 0 HA TYR A 40 0.431 7.995 -4.203 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -0.846 6.416 -6.469 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.686 7.282 -5.198 1.00 3.43 H new ATOM 0 HD1 TYR A 40 -0.209 9.853 -5.113 1.00 11.45 H new ATOM 0 HD2 TYR A 40 -1.428 7.520 -8.464 1.00 71.14 H new ATOM 0 HE1 TYR A 40 -0.236 11.873 -6.510 1.00 41.14 H new ATOM 0 HE2 TYR A 40 -1.455 9.539 -9.862 1.00 4.45 H new ATOM 0 HH TYR A 40 -1.132 11.721 -9.963 1.00 3.50 H new ATOM 583 N VAL A 41 0.309 5.895 -2.873 1.00 42.43 N ATOM 584 CA VAL A 41 0.299 4.672 -2.079 1.00 62.13 C ATOM 585 C VAL A 41 -1.028 4.476 -1.351 1.00 74.32 C ATOM 586 O VAL A 41 -1.538 5.389 -0.703 1.00 3.13 O ATOM 587 CB VAL A 41 1.447 4.652 -1.054 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.788 4.805 -1.753 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.257 5.741 -0.008 1.00 64.44 C ATOM 0 H VAL A 41 0.213 6.755 -2.333 1.00 42.43 H new ATOM 0 HA VAL A 41 0.436 3.851 -2.783 1.00 62.13 H new ATOM 0 HB VAL A 41 1.434 3.689 -0.544 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.588 4.789 -1.013 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.927 3.984 -2.456 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.811 5.752 -2.292 1.00 2.21 H new ATOM 0 HG21 VAL A 41 2.080 5.708 0.706 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.239 6.715 -0.496 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.315 5.581 0.517 1.00 64.44 H new ATOM 599 N GLU A 42 -1.576 3.270 -1.472 1.00 61.52 N ATOM 600 CA GLU A 42 -2.846 2.920 -0.842 1.00 3.23 C ATOM 601 C GLU A 42 -2.631 2.044 0.390 1.00 23.24 C ATOM 602 O GLU A 42 -1.509 1.631 0.685 1.00 50.54 O ATOM 603 CB GLU A 42 -3.742 2.182 -1.841 1.00 62.53 C ATOM 604 CG GLU A 42 -2.994 1.173 -2.695 1.00 13.02 C ATOM 605 CD GLU A 42 -3.754 -0.128 -2.866 1.00 72.20 C ATOM 606 OE1 GLU A 42 -4.971 -0.147 -2.588 1.00 31.14 O ATOM 607 OE2 GLU A 42 -3.130 -1.129 -3.279 1.00 2.41 O ATOM 0 H GLU A 42 -1.155 2.511 -2.007 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.329 3.845 -0.528 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.534 1.669 -1.296 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.224 2.911 -2.492 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -2.800 1.607 -3.676 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -2.025 0.966 -2.240 1.00 13.02 H new ATOM 614 N LYS A 43 -3.721 1.758 1.097 1.00 11.22 N ATOM 615 CA LYS A 43 -3.666 0.923 2.291 1.00 62.41 C ATOM 616 C LYS A 43 -4.472 -0.357 2.085 1.00 53.12 C ATOM 617 O LYS A 43 -5.682 -0.386 2.308 1.00 1.11 O ATOM 618 CB LYS A 43 -4.201 1.688 3.505 1.00 42.13 C ATOM 619 CG LYS A 43 -3.315 1.572 4.734 1.00 13.50 C ATOM 620 CD LYS A 43 -3.647 2.642 5.763 1.00 11.04 C ATOM 621 CE LYS A 43 -3.389 2.151 7.179 1.00 11.11 C ATOM 622 NZ LYS A 43 -1.949 2.242 7.545 1.00 54.40 N ATOM 0 H LYS A 43 -4.655 2.094 0.862 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.625 0.657 2.474 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.309 2.740 3.243 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -5.197 1.317 3.748 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.438 0.585 5.181 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -2.269 1.661 4.440 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -3.048 3.532 5.570 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -4.692 2.933 5.662 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -3.980 2.740 7.881 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -3.722 1.117 7.271 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -1.736 1.548 8.290 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -1.365 2.042 6.708 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -1.739 3.199 7.893 1.00 54.40 H new ATOM 636 N ILE A 44 -3.791 -1.411 1.648 1.00 32.43 N ATOM 637 CA ILE A 44 -4.442 -2.692 1.401 1.00 61.52 C ATOM 638 C ILE A 44 -4.237 -3.652 2.570 1.00 63.40 C ATOM 639 O ILE A 44 -3.111 -3.870 3.016 1.00 33.33 O ATOM 640 CB ILE A 44 -3.915 -3.345 0.109 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.385 -3.350 0.100 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.454 -2.614 -1.111 1.00 10.33 C ATOM 643 CD1 ILE A 44 -1.792 -4.233 -0.974 1.00 31.45 C ATOM 0 H ILE A 44 -2.789 -1.403 1.458 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.507 -2.491 1.290 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.263 -4.377 0.074 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -2.027 -2.330 -0.040 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -2.025 -3.683 1.073 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -4.073 -3.087 -2.016 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.543 -2.658 -1.110 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -4.133 -1.573 -1.083 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.704 -4.188 -0.922 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -2.121 -5.261 -0.822 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -2.123 -3.887 -1.953 1.00 31.45 H new ATOM 655 N THR A 45 -5.334 -4.223 3.059 1.00 55.41 N ATOM 656 CA THR A 45 -5.278 -5.160 4.178 1.00 51.25 C ATOM 657 C THR A 45 -5.251 -6.603 3.680 1.00 40.22 C ATOM 658 O THR A 45 -5.931 -6.949 2.715 1.00 1.12 O ATOM 659 CB THR A 45 -6.475 -4.952 5.106 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.742 -3.571 5.278 1.00 3.01 O ATOM 661 CG2 THR A 45 -6.279 -5.556 6.479 1.00 42.42 C ATOM 0 H THR A 45 -6.273 -4.054 2.698 1.00 55.41 H new ATOM 0 HA THR A 45 -4.359 -4.968 4.733 1.00 51.25 H new ATOM 0 HB THR A 45 -7.309 -5.458 4.620 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.512 -3.458 5.873 1.00 3.01 H new ATOM 0 HG21 THR A 45 -7.165 -5.373 7.087 1.00 42.42 H new ATOM 0 HG22 THR A 45 -6.120 -6.630 6.385 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.411 -5.101 6.956 1.00 42.42 H new ATOM 669 N CYS A 46 -4.458 -7.438 4.346 1.00 64.32 N ATOM 670 CA CYS A 46 -4.337 -8.843 3.971 1.00 13.53 C ATOM 671 C CYS A 46 -5.193 -9.727 4.865 1.00 55.44 C ATOM 672 O CYS A 46 -4.945 -9.842 6.064 1.00 70.35 O ATOM 673 CB CYS A 46 -2.874 -9.285 4.046 1.00 22.14 C ATOM 674 SG CYS A 46 -1.821 -8.556 2.749 1.00 51.55 S ATOM 0 H CYS A 46 -3.890 -7.166 5.148 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.693 -8.949 2.946 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.472 -9.015 5.022 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -2.828 -10.371 3.971 1.00 22.14 H new ATOM 679 N SER A 47 -6.197 -10.360 4.268 1.00 45.25 N ATOM 680 CA SER A 47 -7.094 -11.247 5.000 1.00 42.35 C ATOM 681 C SER A 47 -6.305 -12.219 5.869 1.00 14.03 C ATOM 682 O SER A 47 -6.365 -12.160 7.097 1.00 21.44 O ATOM 683 CB SER A 47 -7.970 -12.022 4.020 1.00 63.32 C ATOM 684 OG SER A 47 -8.848 -12.901 4.702 1.00 14.35 O ATOM 0 H SER A 47 -6.411 -10.275 3.274 1.00 45.25 H new ATOM 0 HA SER A 47 -7.725 -10.640 5.649 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.548 -11.324 3.414 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.340 -12.591 3.336 1.00 63.32 H new ATOM 0 HG SER A 47 -9.191 -13.572 4.076 1.00 14.35 H new ATOM 690 N SER A 48 -5.556 -13.107 5.223 1.00 3.45 N ATOM 691 CA SER A 48 -4.748 -14.082 5.938 1.00 4.33 C ATOM 692 C SER A 48 -3.576 -13.391 6.619 1.00 11.24 C ATOM 693 O SER A 48 -2.583 -13.065 5.972 1.00 45.14 O ATOM 694 CB SER A 48 -4.240 -15.161 4.980 1.00 32.31 C ATOM 695 OG SER A 48 -5.264 -16.087 4.664 1.00 44.11 O ATOM 0 H SER A 48 -5.493 -13.170 4.207 1.00 3.45 H new ATOM 0 HA SER A 48 -5.368 -14.557 6.698 1.00 4.33 H new ATOM 0 HB2 SER A 48 -3.872 -14.696 4.066 1.00 32.31 H new ATOM 0 HB3 SER A 48 -3.398 -15.686 5.432 1.00 32.31 H new ATOM 0 HG SER A 48 -4.914 -16.765 4.049 1.00 44.11 H new ATOM 701 N SER A 49 -3.723 -13.168 7.926 1.00 21.11 N ATOM 702 CA SER A 49 -2.711 -12.503 8.760 1.00 51.02 C ATOM 703 C SER A 49 -3.186 -11.115 9.179 1.00 25.33 C ATOM 704 O SER A 49 -2.642 -10.523 10.112 1.00 51.41 O ATOM 705 CB SER A 49 -1.355 -12.385 8.050 1.00 14.34 C ATOM 706 OG SER A 49 -0.879 -13.656 7.640 1.00 42.14 O ATOM 0 H SER A 49 -4.556 -13.446 8.444 1.00 21.11 H new ATOM 0 HA SER A 49 -2.575 -13.128 9.643 1.00 51.02 H new ATOM 0 HB2 SER A 49 -1.451 -11.733 7.182 1.00 14.34 H new ATOM 0 HB3 SER A 49 -0.630 -11.921 8.719 1.00 14.34 H new ATOM 0 HG SER A 49 -1.123 -13.810 6.704 1.00 42.14 H new ATOM 712 N LYS A 50 -4.197 -10.595 8.485 1.00 72.14 N ATOM 713 CA LYS A 50 -4.734 -9.272 8.790 1.00 20.52 C ATOM 714 C LYS A 50 -3.603 -8.257 8.917 1.00 2.24 C ATOM 715 O LYS A 50 -3.248 -7.840 10.020 1.00 33.43 O ATOM 716 CB LYS A 50 -5.553 -9.315 10.082 1.00 22.21 C ATOM 717 CG LYS A 50 -7.055 -9.363 9.847 1.00 61.25 C ATOM 718 CD LYS A 50 -7.565 -8.065 9.245 1.00 54.41 C ATOM 719 CE LYS A 50 -9.072 -8.099 9.044 1.00 54.43 C ATOM 720 NZ LYS A 50 -9.804 -8.138 10.340 1.00 32.11 N ATOM 0 H LYS A 50 -4.659 -11.069 7.709 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.387 -8.966 7.973 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -5.256 -10.189 10.662 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -5.315 -8.437 10.683 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.294 -10.193 9.182 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -7.566 -9.553 10.791 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -7.302 -7.232 9.897 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -7.073 -7.888 8.289 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -9.383 -7.221 8.478 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -9.339 -8.973 8.450 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -10.814 -7.956 10.174 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -9.688 -9.075 10.776 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -9.422 -7.410 10.977 1.00 32.11 H new ATOM 734 N ARG A 51 -3.032 -7.875 7.780 1.00 1.11 N ATOM 735 CA ARG A 51 -1.934 -6.921 7.765 1.00 14.13 C ATOM 736 C ARG A 51 -2.147 -5.847 6.705 1.00 53.14 C ATOM 737 O ARG A 51 -2.334 -6.149 5.526 1.00 22.30 O ATOM 738 CB ARG A 51 -0.610 -7.649 7.520 1.00 42.52 C ATOM 739 CG ARG A 51 0.406 -7.454 8.634 1.00 52.54 C ATOM 740 CD ARG A 51 1.738 -8.101 8.291 1.00 73.22 C ATOM 741 NE ARG A 51 2.572 -8.298 9.475 1.00 64.03 N ATOM 742 CZ ARG A 51 3.602 -9.140 9.525 1.00 42.13 C ATOM 743 NH1 ARG A 51 3.929 -9.863 8.460 1.00 21.42 N ATOM 744 NH2 ARG A 51 4.308 -9.258 10.641 1.00 50.42 N ATOM 0 H ARG A 51 -3.312 -8.212 6.859 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.900 -6.430 8.738 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -0.807 -8.714 7.402 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.180 -7.298 6.582 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.553 -6.389 8.812 1.00 52.54 H new ATOM 0 HG3 ARG A 51 0.020 -7.882 9.559 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.561 -9.062 7.809 1.00 73.22 H new ATOM 0 HD3 ARG A 51 2.270 -7.477 7.573 1.00 73.22 H new ATOM 0 HE ARG A 51 2.352 -7.759 10.312 1.00 64.03 H new ATOM 0 HH11 ARG A 51 3.390 -9.775 7.599 1.00 21.42 H new ATOM 0 HH12 ARG A 51 4.719 -10.507 8.504 1.00 21.42 H new ATOM 0 HH21 ARG A 51 4.062 -8.704 11.461 1.00 50.42 H new ATOM 0 HH22 ARG A 51 5.097 -9.903 10.679 1.00 50.42 H new ATOM 758 N ASN A 52 -2.115 -4.591 7.135 1.00 34.42 N ATOM 759 CA ASN A 52 -2.297 -3.465 6.228 1.00 23.12 C ATOM 760 C ASN A 52 -0.952 -2.982 5.698 1.00 31.12 C ATOM 761 O ASN A 52 -0.174 -2.363 6.425 1.00 2.31 O ATOM 762 CB ASN A 52 -3.023 -2.320 6.937 1.00 20.24 C ATOM 763 CG ASN A 52 -2.249 -1.797 8.131 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.431 -0.886 8.005 1.00 5.34 O ATOM 765 ND2 ASN A 52 -2.505 -2.373 9.300 1.00 3.21 N ATOM 0 H ASN A 52 -1.964 -4.327 8.109 1.00 34.42 H new ATOM 0 HA ASN A 52 -2.904 -3.799 5.387 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -3.190 -1.507 6.231 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -4.004 -2.663 7.265 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -2.015 -2.063 10.139 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -3.191 -3.125 9.358 1.00 3.21 H new ATOM 772 N GLU A 53 -0.682 -3.273 4.431 1.00 41.33 N ATOM 773 CA GLU A 53 0.573 -2.873 3.809 1.00 4.05 C ATOM 774 C GLU A 53 0.389 -1.616 2.966 1.00 61.35 C ATOM 775 O GLU A 53 -0.735 -1.223 2.653 1.00 75.32 O ATOM 776 CB GLU A 53 1.119 -4.009 2.941 1.00 12.24 C ATOM 777 CG GLU A 53 2.359 -4.673 3.516 1.00 2.20 C ATOM 778 CD GLU A 53 3.462 -3.680 3.826 1.00 62.15 C ATOM 779 OE1 GLU A 53 3.588 -2.683 3.084 1.00 30.34 O ATOM 780 OE2 GLU A 53 4.198 -3.898 4.812 1.00 35.21 O ATOM 0 H GLU A 53 -1.315 -3.784 3.815 1.00 41.33 H new ATOM 0 HA GLU A 53 1.288 -2.653 4.602 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.341 -4.762 2.811 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.353 -3.618 1.951 1.00 12.24 H new ATOM 0 HG2 GLU A 53 2.091 -5.208 4.427 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.731 -5.414 2.809 1.00 2.20 H new ATOM 787 N PHE A 54 1.503 -0.992 2.600 1.00 62.12 N ATOM 788 CA PHE A 54 1.470 0.218 1.790 1.00 52.31 C ATOM 789 C PHE A 54 1.803 -0.100 0.337 1.00 20.21 C ATOM 790 O PHE A 54 2.971 -0.195 -0.038 1.00 71.11 O ATOM 791 CB PHE A 54 2.456 1.251 2.338 1.00 31.23 C ATOM 792 CG PHE A 54 2.165 1.669 3.751 1.00 44.21 C ATOM 793 CD1 PHE A 54 0.961 2.275 4.073 1.00 60.55 C ATOM 794 CD2 PHE A 54 3.094 1.455 4.757 1.00 53.04 C ATOM 795 CE1 PHE A 54 0.690 2.660 5.373 1.00 31.14 C ATOM 796 CE2 PHE A 54 2.828 1.838 6.058 1.00 20.43 C ATOM 797 CZ PHE A 54 1.625 2.441 6.366 1.00 5.43 C ATOM 0 H PHE A 54 2.440 -1.305 2.852 1.00 62.12 H new ATOM 0 HA PHE A 54 0.463 0.632 1.834 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.464 0.840 2.290 1.00 31.23 H new ATOM 0 HB3 PHE A 54 2.440 2.132 1.697 1.00 31.23 H new ATOM 0 HD1 PHE A 54 0.227 2.448 3.300 1.00 60.55 H new ATOM 0 HD2 PHE A 54 4.037 0.983 4.522 1.00 53.04 H new ATOM 0 HE1 PHE A 54 -0.252 3.132 5.612 1.00 31.14 H new ATOM 0 HE2 PHE A 54 3.560 1.666 6.833 1.00 20.43 H new ATOM 0 HZ PHE A 54 1.415 2.741 7.382 1.00 5.43 H new ATOM 807 N LYS A 55 0.766 -0.265 -0.476 1.00 44.01 N ATOM 808 CA LYS A 55 0.943 -0.576 -1.889 1.00 73.11 C ATOM 809 C LYS A 55 0.777 0.676 -2.744 1.00 63.12 C ATOM 810 O LYS A 55 0.479 1.751 -2.230 1.00 60.32 O ATOM 811 CB LYS A 55 -0.061 -1.647 -2.321 1.00 13.23 C ATOM 812 CG LYS A 55 0.593 -2.934 -2.796 1.00 41.25 C ATOM 813 CD LYS A 55 -0.345 -3.746 -3.678 1.00 62.10 C ATOM 814 CE LYS A 55 0.146 -3.796 -5.116 1.00 31.24 C ATOM 815 NZ LYS A 55 -0.931 -3.450 -6.084 1.00 13.13 N ATOM 0 H LYS A 55 -0.207 -0.188 -0.180 1.00 44.01 H new ATOM 0 HA LYS A 55 1.954 -0.957 -2.033 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.723 -1.872 -1.485 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.684 -1.248 -3.122 1.00 13.23 H new ATOM 0 HG2 LYS A 55 1.502 -2.698 -3.350 1.00 41.25 H new ATOM 0 HG3 LYS A 55 0.891 -3.531 -1.934 1.00 41.25 H new ATOM 0 HD2 LYS A 55 -0.429 -4.759 -3.286 1.00 62.10 H new ATOM 0 HD3 LYS A 55 -1.343 -3.309 -3.648 1.00 62.10 H new ATOM 0 HE2 LYS A 55 0.980 -3.105 -5.239 1.00 31.24 H new ATOM 0 HE3 LYS A 55 0.524 -4.794 -5.336 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 -0.555 -3.496 -7.053 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 -1.716 -4.124 -5.985 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 -1.275 -2.488 -5.891 1.00 13.13 H new ATOM 829 N SER A 56 0.971 0.528 -4.050 1.00 61.14 N ATOM 830 CA SER A 56 0.839 1.649 -4.976 1.00 14.20 C ATOM 831 C SER A 56 -0.263 1.378 -5.993 1.00 33.41 C ATOM 832 O SER A 56 -0.335 0.290 -6.564 1.00 61.31 O ATOM 833 CB SER A 56 2.166 1.900 -5.700 1.00 42.24 C ATOM 834 OG SER A 56 3.023 0.775 -5.601 1.00 4.04 O ATOM 0 H SER A 56 1.220 -0.357 -4.492 1.00 61.14 H new ATOM 0 HA SER A 56 0.574 2.537 -4.402 1.00 14.20 H new ATOM 0 HB2 SER A 56 1.974 2.124 -6.749 1.00 42.24 H new ATOM 0 HB3 SER A 56 2.657 2.774 -5.272 1.00 42.24 H new ATOM 0 HG SER A 56 3.862 0.960 -6.073 1.00 4.04 H new ATOM 840 N CYS A 57 -1.125 2.367 -6.219 1.00 64.24 N ATOM 841 CA CYS A 57 -2.218 2.208 -7.174 1.00 63.31 C ATOM 842 C CYS A 57 -2.276 3.387 -8.139 1.00 53.51 C ATOM 843 O CYS A 57 -1.370 4.219 -8.176 1.00 2.13 O ATOM 844 CB CYS A 57 -3.559 2.038 -6.439 1.00 44.32 C ATOM 845 SG CYS A 57 -4.487 3.577 -6.092 1.00 74.43 S ATOM 0 H CYS A 57 -1.089 3.277 -5.760 1.00 64.24 H new ATOM 0 HA CYS A 57 -2.030 1.306 -7.757 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -4.194 1.380 -7.032 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.370 1.531 -5.493 1.00 44.32 H new ATOM 850 N ARG A 58 -3.352 3.452 -8.914 1.00 31.41 N ATOM 851 CA ARG A 58 -3.532 4.533 -9.874 1.00 62.35 C ATOM 852 C ARG A 58 -4.566 5.531 -9.366 1.00 33.04 C ATOM 853 O ARG A 58 -5.707 5.166 -9.081 1.00 54.43 O ATOM 854 CB ARG A 58 -3.964 3.978 -11.235 1.00 21.10 C ATOM 855 CG ARG A 58 -3.457 2.571 -11.517 1.00 44.23 C ATOM 856 CD ARG A 58 -4.079 1.997 -12.780 1.00 3.11 C ATOM 857 NE ARG A 58 -3.123 1.207 -13.552 1.00 31.04 N ATOM 858 CZ ARG A 58 -2.596 0.060 -13.127 1.00 14.44 C ATOM 859 NH1 ARG A 58 -2.928 -0.432 -11.940 1.00 70.32 N ATOM 860 NH2 ARG A 58 -1.734 -0.596 -13.891 1.00 52.21 N ATOM 0 H ARG A 58 -4.111 2.771 -8.896 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.577 5.046 -9.992 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -5.053 3.978 -11.287 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -3.607 4.646 -12.019 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -2.372 2.588 -11.620 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -3.687 1.924 -10.671 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -4.932 1.373 -12.513 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -4.460 2.810 -13.398 1.00 3.11 H new ATOM 0 HE ARG A 58 -2.843 1.554 -14.469 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -3.590 0.069 -11.347 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -2.521 -1.311 -11.620 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -1.475 -0.222 -14.804 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -1.330 -1.474 -13.566 1.00 52.21 H new ATOM 874 N SER A 59 -4.159 6.790 -9.248 1.00 52.53 N ATOM 875 CA SER A 59 -5.052 7.839 -8.768 1.00 74.44 C ATOM 876 C SER A 59 -5.632 8.646 -9.928 1.00 41.43 C ATOM 877 O SER A 59 -6.642 9.333 -9.773 1.00 4.30 O ATOM 878 CB SER A 59 -4.307 8.768 -7.808 1.00 45.24 C ATOM 879 OG SER A 59 -3.586 8.028 -6.838 1.00 1.43 O ATOM 0 H SER A 59 -3.218 7.109 -9.478 1.00 52.53 H new ATOM 0 HA SER A 59 -5.877 7.361 -8.240 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.621 9.402 -8.370 1.00 45.24 H new ATOM 0 HB3 SER A 59 -5.018 9.429 -7.311 1.00 45.24 H new ATOM 0 HG SER A 59 -2.727 8.467 -6.663 1.00 1.43 H new ATOM 885 N ALA A 60 -4.987 8.563 -11.089 1.00 3.34 N ATOM 886 CA ALA A 60 -5.441 9.288 -12.271 1.00 12.12 C ATOM 887 C ALA A 60 -6.898 8.971 -12.597 1.00 72.42 C ATOM 888 O ALA A 60 -7.578 9.755 -13.258 1.00 55.10 O ATOM 889 CB ALA A 60 -4.551 8.961 -13.462 1.00 42.41 C ATOM 0 H ALA A 60 -4.149 8.001 -11.236 1.00 3.34 H new ATOM 0 HA ALA A 60 -5.373 10.354 -12.055 1.00 12.12 H new ATOM 0 HB1 ALA A 60 -4.900 9.508 -14.338 1.00 42.41 H new ATOM 0 HB2 ALA A 60 -3.524 9.250 -13.239 1.00 42.41 H new ATOM 0 HB3 ALA A 60 -4.591 7.890 -13.663 1.00 42.41 H new ATOM 895 N LEU A 61 -7.373 7.820 -12.132 1.00 70.34 N ATOM 896 CA LEU A 61 -8.749 7.407 -12.377 1.00 65.13 C ATOM 897 C LEU A 61 -9.558 7.421 -11.086 1.00 65.11 C ATOM 898 O LEU A 61 -10.772 7.630 -11.104 1.00 12.32 O ATOM 899 CB LEU A 61 -8.782 6.009 -12.998 1.00 64.21 C ATOM 900 CG LEU A 61 -9.905 5.777 -14.011 1.00 62.21 C ATOM 901 CD1 LEU A 61 -9.615 6.517 -15.308 1.00 64.14 C ATOM 902 CD2 LEU A 61 -10.084 4.289 -14.274 1.00 1.32 C ATOM 0 H LEU A 61 -6.825 7.157 -11.584 1.00 70.34 H new ATOM 0 HA LEU A 61 -9.196 8.116 -13.073 1.00 65.13 H new ATOM 0 HB2 LEU A 61 -7.827 5.823 -13.489 1.00 64.21 H new ATOM 0 HB3 LEU A 61 -8.877 5.275 -12.198 1.00 64.21 H new ATOM 0 HG LEU A 61 -10.833 6.168 -13.593 1.00 62.21 H new ATOM 0 HD11 LEU A 61 -10.424 6.340 -16.016 1.00 64.14 H new ATOM 0 HD12 LEU A 61 -9.535 7.585 -15.107 1.00 64.14 H new ATOM 0 HD13 LEU A 61 -8.677 6.156 -15.731 1.00 64.14 H new ATOM 0 HD21 LEU A 61 -10.887 4.141 -14.997 1.00 1.32 H new ATOM 0 HD22 LEU A 61 -9.157 3.876 -14.672 1.00 1.32 H new ATOM 0 HD23 LEU A 61 -10.337 3.783 -13.342 1.00 1.32 H new ATOM 914 N MET A 62 -8.880 7.197 -9.964 1.00 5.12 N ATOM 915 CA MET A 62 -9.538 7.185 -8.665 1.00 74.32 C ATOM 916 C MET A 62 -9.966 8.591 -8.259 1.00 42.24 C ATOM 917 O MET A 62 -11.150 8.855 -8.051 1.00 43.24 O ATOM 918 CB MET A 62 -8.609 6.594 -7.603 1.00 42.54 C ATOM 919 CG MET A 62 -8.180 5.166 -7.897 1.00 24.05 C ATOM 920 SD MET A 62 -9.463 3.962 -7.508 1.00 44.21 S ATOM 921 CE MET A 62 -9.545 3.046 -9.045 1.00 45.45 C ATOM 0 H MET A 62 -7.876 7.022 -9.930 1.00 5.12 H new ATOM 0 HA MET A 62 -10.429 6.562 -8.743 1.00 74.32 H new ATOM 0 HB2 MET A 62 -7.721 7.221 -7.519 1.00 42.54 H new ATOM 0 HB3 MET A 62 -9.112 6.622 -6.636 1.00 42.54 H new ATOM 0 HG2 MET A 62 -7.914 5.080 -8.951 1.00 24.05 H new ATOM 0 HG3 MET A 62 -7.283 4.934 -7.322 1.00 24.05 H new ATOM 0 HE1 MET A 62 -10.298 2.262 -8.962 1.00 45.45 H new ATOM 0 HE2 MET A 62 -9.813 3.722 -9.857 1.00 45.45 H new ATOM 0 HE3 MET A 62 -8.574 2.596 -9.253 1.00 45.45 H new ATOM 931 N GLU A 63 -8.993 9.489 -8.148 1.00 3.04 N ATOM 932 CA GLU A 63 -9.268 10.870 -7.766 1.00 74.33 C ATOM 933 C GLU A 63 -8.242 11.817 -8.382 1.00 21.00 C ATOM 934 O GLU A 63 -7.203 12.097 -7.784 1.00 12.42 O ATOM 935 CB GLU A 63 -9.261 11.013 -6.243 1.00 2.00 C ATOM 936 CG GLU A 63 -10.623 10.792 -5.605 1.00 1.04 C ATOM 937 CD GLU A 63 -10.542 9.990 -4.322 1.00 52.00 C ATOM 938 OE1 GLU A 63 -9.625 10.250 -3.515 1.00 61.50 O ATOM 939 OE2 GLU A 63 -11.397 9.100 -4.123 1.00 34.25 O ATOM 0 H GLU A 63 -8.008 9.286 -8.317 1.00 3.04 H new ATOM 0 HA GLU A 63 -10.256 11.135 -8.143 1.00 74.33 H new ATOM 0 HB2 GLU A 63 -8.552 10.300 -5.823 1.00 2.00 H new ATOM 0 HB3 GLU A 63 -8.904 12.009 -5.982 1.00 2.00 H new ATOM 0 HG2 GLU A 63 -11.084 11.758 -5.397 1.00 1.04 H new ATOM 0 HG3 GLU A 63 -11.272 10.275 -6.312 1.00 1.04 H new ATOM 946 N GLN A 64 -8.542 12.308 -9.580 1.00 63.01 N ATOM 947 CA GLN A 64 -7.647 13.224 -10.277 1.00 12.32 C ATOM 948 C GLN A 64 -8.385 14.489 -10.702 1.00 51.11 C ATOM 949 O GLN A 64 -9.191 14.467 -11.632 1.00 44.52 O ATOM 950 CB GLN A 64 -7.037 12.539 -11.503 1.00 13.05 C ATOM 951 CG GLN A 64 -5.684 13.102 -11.902 1.00 33.12 C ATOM 952 CD GLN A 64 -5.329 12.800 -13.345 1.00 42.03 C ATOM 953 OE1 GLN A 64 -6.164 12.319 -14.114 1.00 0.22 O ATOM 954 NE2 GLN A 64 -4.087 13.080 -13.722 1.00 75.32 N ATOM 0 H GLN A 64 -9.398 12.087 -10.088 1.00 63.01 H new ATOM 0 HA GLN A 64 -6.848 13.505 -9.590 1.00 12.32 H new ATOM 0 HB2 GLN A 64 -6.932 11.473 -11.299 1.00 13.05 H new ATOM 0 HB3 GLN A 64 -7.724 12.637 -12.343 1.00 13.05 H new ATOM 0 HG2 GLN A 64 -5.685 14.181 -11.750 1.00 33.12 H new ATOM 0 HG3 GLN A 64 -4.916 12.689 -11.249 1.00 33.12 H new ATOM 0 HE21 GLN A 64 -3.428 13.478 -13.052 1.00 75.32 H new ATOM 0 HE22 GLN A 64 -3.792 12.898 -14.681 1.00 75.32 H new ATOM 963 N ARG A 65 -8.104 15.591 -10.014 1.00 1.31 N ATOM 964 CA ARG A 65 -8.741 16.867 -10.320 1.00 12.02 C ATOM 965 C ARG A 65 -7.751 17.828 -10.965 1.00 24.24 C ATOM 966 O ARG A 65 -8.142 18.524 -11.926 1.00 37.68 O ATOM 967 CB ARG A 65 -9.320 17.489 -9.047 1.00 33.23 C ATOM 968 CG ARG A 65 -10.653 16.892 -8.629 1.00 14.11 C ATOM 969 CD ARG A 65 -11.181 17.543 -7.360 1.00 62.15 C ATOM 970 NE ARG A 65 -12.557 17.144 -7.072 1.00 3.32 N ATOM 971 CZ ARG A 65 -13.607 17.533 -7.792 1.00 41.20 C ATOM 972 NH1 ARG A 65 -13.443 18.329 -8.841 1.00 75.33 N ATOM 973 NH2 ARG A 65 -14.824 17.125 -7.461 1.00 31.30 N ATOM 974 OXT ARG A 65 -6.590 17.879 -10.505 1.00 37.68 O ATOM 0 H ARG A 65 -7.439 15.626 -9.241 1.00 1.31 H new ATOM 0 HA ARG A 65 -9.550 16.681 -11.026 1.00 12.02 H new ATOM 0 HB2 ARG A 65 -8.605 17.364 -8.234 1.00 33.23 H new ATOM 0 HB3 ARG A 65 -9.444 18.561 -9.201 1.00 33.23 H new ATOM 0 HG2 ARG A 65 -11.378 17.019 -9.433 1.00 14.11 H new ATOM 0 HG3 ARG A 65 -10.539 15.820 -8.469 1.00 14.11 H new ATOM 0 HD2 ARG A 65 -10.541 17.272 -6.520 1.00 62.15 H new ATOM 0 HD3 ARG A 65 -11.131 18.627 -7.461 1.00 62.15 H new ATOM 0 HE ARG A 65 -12.723 16.532 -6.273 1.00 3.32 H new ATOM 0 HH11 ARG A 65 -12.509 18.646 -9.099 1.00 75.33 H new ATOM 0 HH12 ARG A 65 -14.251 18.624 -9.389 1.00 75.33 H new ATOM 0 HH21 ARG A 65 -14.955 16.514 -6.655 1.00 31.30 H new ATOM 0 HH22 ARG A 65 -15.629 17.423 -8.012 1.00 31.30 H new TER 988 ARG A 65