USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 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 Single : A 1 GLY N :NH3+ -145:sc= 0.655 (180deg=0.163) USER MOD Single : A 3 SER OG : rot -171:sc= -0.357 USER MOD Single : A 7 ASN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc=-0.000901 (180deg=-0.0896) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -128:sc= 0.233 USER MOD Single : A 16 LYS NZ :NH3+ -132:sc= 0.123 (180deg=-0.111) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc=-0.00814 K(o=-0.0081,f=-1.6!) USER MOD Single : A 23 GLN : amide:sc= -0.187 K(o=-0.19,f=-3.7!) USER MOD Single : A 27 MET CE :methyl 176:sc= 0 (180deg=-0.0408) USER MOD Single : A 32 TYR OH : rot -130:sc= 0.304 USER MOD Single : A 33 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.0046) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0.5 (180deg=0.488) USER MOD Single : A 39 ASN : amide:sc= -0.962 K(o=-0.96,f=-6!) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 1.36 (180deg=1.33) USER MOD Single : A 41 MET CE :methyl 177:sc= -0.436 (180deg=-0.46) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc=-0.00591 (180deg=-0.167) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -103:sc= 1.7 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.34) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -124:sc= 0.277 (180deg=-0.127) USER MOD Single : A 89 LYS NZ :NH3+ -165:sc= -0.609 (180deg=-0.906) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.751 -11.085 6.413 1.00 51.42 N ATOM 2 CA GLY A 1 -16.091 -12.449 6.881 1.00 32.05 C ATOM 3 C GLY A 1 -15.807 -13.502 5.817 1.00 25.40 C ATOM 4 O GLY A 1 -16.630 -14.388 5.572 1.00 23.32 O ATOM 0 H1 GLY A 1 -15.385 -10.526 7.210 1.00 51.42 H new ATOM 0 H2 GLY A 1 -15.026 -11.144 5.669 1.00 51.42 H new ATOM 0 H3 GLY A 1 -16.603 -10.627 6.031 1.00 51.42 H new ATOM 0 HA2 GLY A 1 -15.518 -12.678 7.780 1.00 32.05 H new ATOM 0 HA3 GLY A 1 -17.145 -12.486 7.156 1.00 32.05 H new ATOM 10 N GLY A 2 -14.632 -13.396 5.176 1.00 71.21 N ATOM 11 CA GLY A 2 -14.220 -14.319 4.120 1.00 62.11 C ATOM 12 C GLY A 2 -12.707 -14.402 4.012 1.00 41.05 C ATOM 13 O GLY A 2 -12.006 -14.284 5.016 1.00 53.01 O ATOM 0 H GLY A 2 -13.946 -12.668 5.378 1.00 71.21 H new ATOM 0 HA2 GLY A 2 -14.626 -15.310 4.323 1.00 62.11 H new ATOM 0 HA3 GLY A 2 -14.636 -13.993 3.167 1.00 62.11 H new ATOM 17 N SER A 3 -12.214 -14.577 2.781 1.00 21.42 N ATOM 18 CA SER A 3 -10.776 -14.700 2.474 1.00 21.41 C ATOM 19 C SER A 3 -10.004 -13.379 2.782 1.00 40.03 C ATOM 20 O SER A 3 -10.638 -12.339 2.951 1.00 33.30 O ATOM 21 CB SER A 3 -10.640 -15.082 0.977 1.00 73.10 C ATOM 22 OG SER A 3 -11.290 -14.137 0.143 1.00 24.35 O ATOM 0 H SER A 3 -12.808 -14.639 1.954 1.00 21.42 H new ATOM 0 HA SER A 3 -10.334 -15.471 3.105 1.00 21.41 H new ATOM 0 HB2 SER A 3 -9.585 -15.142 0.709 1.00 73.10 H new ATOM 0 HB3 SER A 3 -11.067 -16.071 0.812 1.00 73.10 H new ATOM 0 HG SER A 3 -11.312 -14.473 -0.777 1.00 24.35 H new ATOM 28 N PRO A 4 -8.630 -13.399 2.897 1.00 13.14 N ATOM 29 CA PRO A 4 -7.805 -12.152 2.898 1.00 73.31 C ATOM 30 C PRO A 4 -8.113 -11.245 1.691 1.00 61.40 C ATOM 31 O PRO A 4 -8.101 -10.037 1.820 1.00 4.35 O ATOM 32 CB PRO A 4 -6.352 -12.681 2.856 1.00 63.41 C ATOM 33 CG PRO A 4 -6.424 -14.032 3.494 1.00 62.30 C ATOM 34 CD PRO A 4 -7.779 -14.607 3.109 1.00 63.44 C ATOM 0 HA PRO A 4 -8.006 -11.524 3.766 1.00 73.31 H new ATOM 0 HB2 PRO A 4 -5.983 -12.745 1.832 1.00 63.41 H new ATOM 0 HB3 PRO A 4 -5.674 -12.022 3.399 1.00 63.41 H new ATOM 0 HG2 PRO A 4 -5.615 -14.672 3.143 1.00 62.30 H new ATOM 0 HG3 PRO A 4 -6.325 -13.958 4.577 1.00 62.30 H new ATOM 0 HD2 PRO A 4 -7.714 -15.214 2.206 1.00 63.44 H new ATOM 0 HD3 PRO A 4 -8.180 -15.246 3.895 1.00 63.44 H new ATOM 42 N ASP A 5 -8.422 -11.882 0.539 1.00 62.13 N ATOM 43 CA ASP A 5 -8.905 -11.206 -0.692 1.00 61.22 C ATOM 44 C ASP A 5 -10.175 -10.373 -0.408 1.00 51.52 C ATOM 45 O ASP A 5 -10.302 -9.228 -0.856 1.00 54.34 O ATOM 46 CB ASP A 5 -9.196 -12.274 -1.785 1.00 53.24 C ATOM 47 CG ASP A 5 -9.810 -11.698 -3.077 1.00 33.45 C ATOM 48 OD1 ASP A 5 -9.052 -11.207 -3.936 1.00 33.22 O ATOM 49 OD2 ASP A 5 -11.050 -11.724 -3.233 1.00 15.11 O ATOM 0 H ASP A 5 -8.343 -12.894 0.434 1.00 62.13 H new ATOM 0 HA ASP A 5 -8.131 -10.524 -1.043 1.00 61.22 H new ATOM 0 HB2 ASP A 5 -8.267 -12.787 -2.034 1.00 53.24 H new ATOM 0 HB3 ASP A 5 -9.874 -13.023 -1.375 1.00 53.24 H new ATOM 54 N GLU A 6 -11.100 -10.990 0.342 1.00 32.33 N ATOM 55 CA GLU A 6 -12.362 -10.375 0.782 1.00 54.25 C ATOM 56 C GLU A 6 -12.060 -9.184 1.737 1.00 53.55 C ATOM 57 O GLU A 6 -12.728 -8.145 1.665 1.00 54.11 O ATOM 58 CB GLU A 6 -13.243 -11.503 1.432 1.00 14.12 C ATOM 59 CG GLU A 6 -14.673 -11.125 1.901 1.00 3.03 C ATOM 60 CD GLU A 6 -14.728 -10.372 3.244 1.00 41.32 C ATOM 61 OE1 GLU A 6 -13.980 -10.731 4.177 1.00 72.05 O ATOM 62 OE2 GLU A 6 -15.512 -9.414 3.364 1.00 63.34 O ATOM 0 H GLU A 6 -10.990 -11.951 0.667 1.00 32.33 H new ATOM 0 HA GLU A 6 -12.924 -9.952 -0.051 1.00 54.25 H new ATOM 0 HB2 GLU A 6 -13.331 -12.316 0.711 1.00 14.12 H new ATOM 0 HB3 GLU A 6 -12.702 -11.897 2.292 1.00 14.12 H new ATOM 0 HG2 GLU A 6 -15.142 -10.509 1.134 1.00 3.03 H new ATOM 0 HG3 GLU A 6 -15.266 -12.035 1.985 1.00 3.03 H new ATOM 69 N ASN A 7 -11.025 -9.344 2.602 1.00 74.31 N ATOM 70 CA ASN A 7 -10.561 -8.273 3.520 1.00 64.22 C ATOM 71 C ASN A 7 -9.906 -7.116 2.742 1.00 32.32 C ATOM 72 O ASN A 7 -9.979 -5.961 3.172 1.00 14.12 O ATOM 73 CB ASN A 7 -9.568 -8.821 4.581 1.00 64.14 C ATOM 74 CG ASN A 7 -10.239 -9.688 5.646 1.00 4.30 C ATOM 75 OD1 ASN A 7 -10.676 -9.183 6.674 1.00 53.23 O ATOM 76 ND2 ASN A 7 -10.356 -10.978 5.405 1.00 4.41 N ATOM 0 H ASN A 7 -10.494 -10.211 2.682 1.00 74.31 H new ATOM 0 HA ASN A 7 -11.443 -7.894 4.036 1.00 64.22 H new ATOM 0 HB2 ASN A 7 -8.797 -9.406 4.079 1.00 64.14 H new ATOM 0 HB3 ASN A 7 -9.067 -7.983 5.067 1.00 64.14 H new ATOM 0 HD21 ASN A 7 -10.820 -11.583 6.082 1.00 4.41 H new ATOM 0 HD22 ASN A 7 -9.983 -11.371 4.541 1.00 4.41 H new ATOM 83 N ILE A 8 -9.265 -7.435 1.596 1.00 14.34 N ATOM 84 CA ILE A 8 -8.628 -6.428 0.714 1.00 71.31 C ATOM 85 C ILE A 8 -9.680 -5.455 0.178 1.00 41.41 C ATOM 86 O ILE A 8 -9.455 -4.248 0.182 1.00 11.21 O ATOM 87 CB ILE A 8 -7.840 -7.096 -0.483 1.00 14.03 C ATOM 88 CG1 ILE A 8 -6.640 -7.908 0.063 1.00 22.13 C ATOM 89 CG2 ILE A 8 -7.372 -6.054 -1.529 1.00 71.21 C ATOM 90 CD1 ILE A 8 -5.830 -8.688 -0.961 1.00 54.40 C ATOM 0 H ILE A 8 -9.174 -8.392 1.256 1.00 14.34 H new ATOM 0 HA ILE A 8 -7.902 -5.881 1.315 1.00 71.31 H new ATOM 0 HB ILE A 8 -8.524 -7.771 -0.997 1.00 14.03 H new ATOM 0 HG12 ILE A 8 -5.969 -7.221 0.578 1.00 22.13 H new ATOM 0 HG13 ILE A 8 -7.013 -8.609 0.810 1.00 22.13 H new ATOM 0 HG21 ILE A 8 -6.836 -6.560 -2.332 1.00 71.21 H new ATOM 0 HG22 ILE A 8 -8.239 -5.537 -1.941 1.00 71.21 H new ATOM 0 HG23 ILE A 8 -6.712 -5.330 -1.051 1.00 71.21 H new ATOM 0 HD11 ILE A 8 -5.019 -9.215 -0.458 1.00 54.40 H new ATOM 0 HD12 ILE A 8 -6.475 -9.409 -1.462 1.00 54.40 H new ATOM 0 HD13 ILE A 8 -5.415 -8.000 -1.697 1.00 54.40 H new ATOM 102 N ALA A 9 -10.840 -6.007 -0.243 1.00 4.44 N ATOM 103 CA ALA A 9 -11.990 -5.226 -0.754 1.00 55.13 C ATOM 104 C ALA A 9 -12.463 -4.168 0.270 1.00 14.12 C ATOM 105 O ALA A 9 -12.910 -3.076 -0.107 1.00 52.41 O ATOM 106 CB ALA A 9 -13.138 -6.180 -1.137 1.00 42.12 C ATOM 0 H ALA A 9 -11.006 -7.013 -0.238 1.00 4.44 H new ATOM 0 HA ALA A 9 -11.668 -4.684 -1.643 1.00 55.13 H new ATOM 0 HB1 ALA A 9 -13.982 -5.601 -1.512 1.00 42.12 H new ATOM 0 HB2 ALA A 9 -12.797 -6.868 -1.911 1.00 42.12 H new ATOM 0 HB3 ALA A 9 -13.448 -6.747 -0.259 1.00 42.12 H new ATOM 112 N LYS A 10 -12.315 -4.507 1.565 1.00 41.22 N ATOM 113 CA LYS A 10 -12.623 -3.606 2.687 1.00 33.40 C ATOM 114 C LYS A 10 -11.629 -2.425 2.726 1.00 51.41 C ATOM 115 O LYS A 10 -12.049 -1.264 2.815 1.00 53.55 O ATOM 116 CB LYS A 10 -12.590 -4.391 4.025 1.00 42.32 C ATOM 117 CG LYS A 10 -12.722 -3.526 5.294 1.00 22.33 C ATOM 118 CD LYS A 10 -12.726 -4.361 6.590 1.00 33.12 C ATOM 119 CE LYS A 10 -12.724 -3.478 7.847 1.00 40.12 C ATOM 120 NZ LYS A 10 -13.854 -2.511 7.860 1.00 1.33 N ATOM 0 H LYS A 10 -11.975 -5.422 1.862 1.00 41.22 H new ATOM 0 HA LYS A 10 -13.625 -3.201 2.544 1.00 33.40 H new ATOM 0 HB2 LYS A 10 -13.397 -5.124 4.018 1.00 42.32 H new ATOM 0 HB3 LYS A 10 -11.654 -4.947 4.079 1.00 42.32 H new ATOM 0 HG2 LYS A 10 -11.898 -2.813 5.329 1.00 22.33 H new ATOM 0 HG3 LYS A 10 -13.643 -2.946 5.238 1.00 22.33 H new ATOM 0 HD2 LYS A 10 -13.605 -5.006 6.602 1.00 33.12 H new ATOM 0 HD3 LYS A 10 -11.852 -5.012 6.604 1.00 33.12 H new ATOM 0 HE2 LYS A 10 -12.780 -4.111 8.733 1.00 40.12 H new ATOM 0 HE3 LYS A 10 -11.782 -2.933 7.904 1.00 40.12 H new ATOM 0 HZ1 LYS A 10 -13.902 -2.045 8.789 1.00 1.33 H new ATOM 0 HZ2 LYS A 10 -13.706 -1.795 7.121 1.00 1.33 H new ATOM 0 HZ3 LYS A 10 -14.745 -3.016 7.680 1.00 1.33 H new ATOM 134 N PHE A 11 -10.312 -2.737 2.654 1.00 45.55 N ATOM 135 CA PHE A 11 -9.231 -1.715 2.656 1.00 42.31 C ATOM 136 C PHE A 11 -9.340 -0.788 1.428 1.00 25.23 C ATOM 137 O PHE A 11 -9.045 0.403 1.515 1.00 34.34 O ATOM 138 CB PHE A 11 -7.829 -2.387 2.688 1.00 33.41 C ATOM 139 CG PHE A 11 -7.536 -3.184 3.955 1.00 4.11 C ATOM 140 CD1 PHE A 11 -7.480 -2.544 5.191 1.00 31.13 C ATOM 141 CD2 PHE A 11 -7.317 -4.561 3.914 1.00 15.44 C ATOM 142 CE1 PHE A 11 -7.218 -3.255 6.341 1.00 50.53 C ATOM 143 CE2 PHE A 11 -7.058 -5.270 5.068 1.00 5.21 C ATOM 144 CZ PHE A 11 -7.005 -4.619 6.281 1.00 13.44 C ATOM 0 H PHE A 11 -9.969 -3.696 2.593 1.00 45.55 H new ATOM 0 HA PHE A 11 -9.352 -1.114 3.557 1.00 42.31 H new ATOM 0 HB2 PHE A 11 -7.739 -3.051 1.828 1.00 33.41 H new ATOM 0 HB3 PHE A 11 -7.068 -1.615 2.576 1.00 33.41 H new ATOM 0 HD1 PHE A 11 -7.644 -1.478 5.248 1.00 31.13 H new ATOM 0 HD2 PHE A 11 -7.351 -5.078 2.967 1.00 15.44 H new ATOM 0 HE1 PHE A 11 -7.179 -2.745 7.292 1.00 50.53 H new ATOM 0 HE2 PHE A 11 -6.897 -6.337 5.021 1.00 5.21 H new ATOM 0 HZ PHE A 11 -6.797 -5.174 7.184 1.00 13.44 H new ATOM 154 N GLU A 12 -9.795 -1.365 0.297 1.00 41.24 N ATOM 155 CA GLU A 12 -9.985 -0.649 -0.976 1.00 10.30 C ATOM 156 C GLU A 12 -11.157 0.336 -0.893 1.00 1.43 C ATOM 157 O GLU A 12 -11.127 1.406 -1.507 1.00 25.22 O ATOM 158 CB GLU A 12 -10.239 -1.650 -2.129 1.00 50.11 C ATOM 159 CG GLU A 12 -9.039 -2.543 -2.479 1.00 74.52 C ATOM 160 CD GLU A 12 -9.284 -3.373 -3.737 1.00 2.32 C ATOM 161 OE1 GLU A 12 -9.152 -2.819 -4.844 1.00 32.05 O ATOM 162 OE2 GLU A 12 -9.658 -4.554 -3.633 1.00 63.40 O ATOM 0 H GLU A 12 -10.043 -2.353 0.244 1.00 41.24 H new ATOM 0 HA GLU A 12 -9.071 -0.089 -1.174 1.00 10.30 H new ATOM 0 HB2 GLU A 12 -11.082 -2.286 -1.860 1.00 50.11 H new ATOM 0 HB3 GLU A 12 -10.531 -1.092 -3.019 1.00 50.11 H new ATOM 0 HG2 GLU A 12 -8.155 -1.921 -2.623 1.00 74.52 H new ATOM 0 HG3 GLU A 12 -8.828 -3.209 -1.642 1.00 74.52 H new ATOM 169 N LYS A 13 -12.193 -0.057 -0.143 1.00 12.41 N ATOM 170 CA LYS A 13 -13.415 0.738 0.013 1.00 62.12 C ATOM 171 C LYS A 13 -13.176 1.902 0.994 1.00 21.31 C ATOM 172 O LYS A 13 -13.632 3.022 0.753 1.00 31.25 O ATOM 173 CB LYS A 13 -14.571 -0.186 0.460 1.00 31.40 C ATOM 174 CG LYS A 13 -15.961 0.483 0.535 1.00 13.11 C ATOM 175 CD LYS A 13 -17.101 -0.547 0.700 1.00 72.35 C ATOM 176 CE LYS A 13 -16.915 -1.465 1.925 1.00 20.22 C ATOM 177 NZ LYS A 13 -17.919 -2.555 1.967 1.00 12.53 N ATOM 0 H LYS A 13 -12.207 -0.937 0.373 1.00 12.41 H new ATOM 0 HA LYS A 13 -13.695 1.185 -0.941 1.00 62.12 H new ATOM 0 HB2 LYS A 13 -14.628 -1.028 -0.230 1.00 31.40 H new ATOM 0 HB3 LYS A 13 -14.329 -0.594 1.441 1.00 31.40 H new ATOM 0 HG2 LYS A 13 -15.981 1.181 1.372 1.00 13.11 H new ATOM 0 HG3 LYS A 13 -16.130 1.066 -0.370 1.00 13.11 H new ATOM 0 HD2 LYS A 13 -18.050 -0.018 0.791 1.00 72.35 H new ATOM 0 HD3 LYS A 13 -17.162 -1.160 -0.200 1.00 72.35 H new ATOM 0 HE2 LYS A 13 -15.914 -1.896 1.905 1.00 20.22 H new ATOM 0 HE3 LYS A 13 -16.988 -0.871 2.836 1.00 20.22 H new ATOM 0 HZ1 LYS A 13 -17.755 -3.146 2.807 1.00 12.53 H new ATOM 0 HZ2 LYS A 13 -18.874 -2.146 2.013 1.00 12.53 H new ATOM 0 HZ3 LYS A 13 -17.833 -3.139 1.111 1.00 12.53 H new ATOM 191 N ALA A 14 -12.409 1.627 2.076 1.00 4.14 N ATOM 192 CA ALA A 14 -11.951 2.656 3.036 1.00 74.51 C ATOM 193 C ALA A 14 -11.039 3.679 2.328 1.00 64.11 C ATOM 194 O ALA A 14 -11.050 4.874 2.645 1.00 51.20 O ATOM 195 CB ALA A 14 -11.194 1.995 4.201 1.00 25.22 C ATOM 0 H ALA A 14 -12.091 0.686 2.306 1.00 4.14 H new ATOM 0 HA ALA A 14 -12.823 3.177 3.431 1.00 74.51 H new ATOM 0 HB1 ALA A 14 -10.862 2.762 4.901 1.00 25.22 H new ATOM 0 HB2 ALA A 14 -11.855 1.297 4.715 1.00 25.22 H new ATOM 0 HB3 ALA A 14 -10.328 1.458 3.814 1.00 25.22 H new ATOM 201 N TYR A 15 -10.263 3.155 1.358 1.00 64.21 N ATOM 202 CA TYR A 15 -9.376 3.936 0.483 1.00 0.33 C ATOM 203 C TYR A 15 -10.172 4.942 -0.373 1.00 13.01 C ATOM 204 O TYR A 15 -9.667 6.020 -0.661 1.00 62.34 O ATOM 205 CB TYR A 15 -8.545 2.971 -0.420 1.00 34.12 C ATOM 206 CG TYR A 15 -7.833 3.651 -1.601 1.00 32.33 C ATOM 207 CD1 TYR A 15 -6.683 4.415 -1.401 1.00 11.13 C ATOM 208 CD2 TYR A 15 -8.359 3.572 -2.888 1.00 64.41 C ATOM 209 CE1 TYR A 15 -6.078 5.062 -2.448 1.00 5.11 C ATOM 210 CE2 TYR A 15 -7.767 4.220 -3.933 1.00 75.22 C ATOM 211 CZ TYR A 15 -6.627 4.965 -3.716 1.00 51.34 C ATOM 212 OH TYR A 15 -6.034 5.610 -4.768 1.00 44.44 O ATOM 0 H TYR A 15 -10.238 2.155 1.160 1.00 64.21 H new ATOM 0 HA TYR A 15 -8.694 4.513 1.108 1.00 0.33 H new ATOM 0 HB2 TYR A 15 -7.799 2.470 0.197 1.00 34.12 H new ATOM 0 HB3 TYR A 15 -9.208 2.198 -0.809 1.00 34.12 H new ATOM 0 HD1 TYR A 15 -6.264 4.498 -0.409 1.00 11.13 H new ATOM 0 HD2 TYR A 15 -9.251 2.988 -3.062 1.00 64.41 H new ATOM 0 HE1 TYR A 15 -5.182 5.642 -2.285 1.00 5.11 H new ATOM 0 HE2 TYR A 15 -8.189 4.150 -4.925 1.00 75.22 H new ATOM 0 HH TYR A 15 -6.702 6.151 -5.239 1.00 44.44 H new ATOM 222 N LYS A 16 -11.396 4.571 -0.804 1.00 53.32 N ATOM 223 CA LYS A 16 -12.245 5.443 -1.658 1.00 35.31 C ATOM 224 C LYS A 16 -12.648 6.716 -0.905 1.00 21.24 C ATOM 225 O LYS A 16 -12.765 7.784 -1.509 1.00 50.32 O ATOM 226 CB LYS A 16 -13.508 4.687 -2.146 1.00 64.54 C ATOM 227 CG LYS A 16 -13.198 3.435 -2.991 1.00 62.12 C ATOM 228 CD LYS A 16 -12.513 3.757 -4.341 1.00 50.31 C ATOM 229 CE LYS A 16 -12.260 2.492 -5.181 1.00 3.44 C ATOM 230 NZ LYS A 16 -11.456 1.493 -4.433 1.00 24.41 N ATOM 0 H LYS A 16 -11.823 3.673 -0.577 1.00 53.32 H new ATOM 0 HA LYS A 16 -11.657 5.726 -2.531 1.00 35.31 H new ATOM 0 HB2 LYS A 16 -14.100 4.391 -1.280 1.00 64.54 H new ATOM 0 HB3 LYS A 16 -14.122 5.368 -2.735 1.00 64.54 H new ATOM 0 HG2 LYS A 16 -12.555 2.768 -2.416 1.00 62.12 H new ATOM 0 HG3 LYS A 16 -14.126 2.896 -3.183 1.00 62.12 H new ATOM 0 HD2 LYS A 16 -13.137 4.448 -4.907 1.00 50.31 H new ATOM 0 HD3 LYS A 16 -11.566 4.263 -4.154 1.00 50.31 H new ATOM 0 HE2 LYS A 16 -13.213 2.050 -5.471 1.00 3.44 H new ATOM 0 HE3 LYS A 16 -11.741 2.763 -6.101 1.00 3.44 H new ATOM 0 HZ1 LYS A 16 -10.680 1.150 -5.035 1.00 24.41 H new ATOM 0 HZ2 LYS A 16 -11.061 1.935 -3.578 1.00 24.41 H new ATOM 0 HZ3 LYS A 16 -12.062 0.693 -4.161 1.00 24.41 H new ATOM 244 N LYS A 17 -12.850 6.571 0.422 1.00 5.53 N ATOM 245 CA LYS A 17 -13.132 7.697 1.333 1.00 24.13 C ATOM 246 C LYS A 17 -11.860 8.534 1.562 1.00 21.42 C ATOM 247 O LYS A 17 -11.907 9.769 1.529 1.00 62.23 O ATOM 248 CB LYS A 17 -13.671 7.173 2.687 1.00 50.55 C ATOM 249 CG LYS A 17 -13.888 8.256 3.762 1.00 1.54 C ATOM 250 CD LYS A 17 -14.441 7.670 5.073 1.00 45.35 C ATOM 251 CE LYS A 17 -14.523 8.713 6.193 1.00 3.25 C ATOM 252 NZ LYS A 17 -15.069 8.143 7.447 1.00 31.31 N ATOM 0 H LYS A 17 -12.822 5.666 0.892 1.00 5.53 H new ATOM 0 HA LYS A 17 -13.891 8.330 0.873 1.00 24.13 H new ATOM 0 HB2 LYS A 17 -14.617 6.661 2.511 1.00 50.55 H new ATOM 0 HB3 LYS A 17 -12.974 6.430 3.076 1.00 50.55 H new ATOM 0 HG2 LYS A 17 -12.943 8.762 3.962 1.00 1.54 H new ATOM 0 HG3 LYS A 17 -14.579 9.009 3.383 1.00 1.54 H new ATOM 0 HD2 LYS A 17 -15.433 7.257 4.892 1.00 45.35 H new ATOM 0 HD3 LYS A 17 -13.806 6.845 5.395 1.00 45.35 H new ATOM 0 HE2 LYS A 17 -13.530 9.119 6.383 1.00 3.25 H new ATOM 0 HE3 LYS A 17 -15.151 9.543 5.869 1.00 3.25 H new ATOM 0 HZ1 LYS A 17 -15.107 8.883 8.177 1.00 31.31 H new ATOM 0 HZ2 LYS A 17 -16.027 7.778 7.274 1.00 31.31 H new ATOM 0 HZ3 LYS A 17 -14.457 7.368 7.771 1.00 31.31 H new ATOM 266 N ALA A 18 -10.738 7.833 1.806 1.00 62.44 N ATOM 267 CA ALA A 18 -9.402 8.439 1.971 1.00 4.44 C ATOM 268 C ALA A 18 -9.042 9.334 0.759 1.00 50.14 C ATOM 269 O ALA A 18 -8.527 10.443 0.910 1.00 24.11 O ATOM 270 CB ALA A 18 -8.370 7.312 2.125 1.00 2.42 C ATOM 0 H ALA A 18 -10.732 6.817 1.895 1.00 62.44 H new ATOM 0 HA ALA A 18 -9.401 9.072 2.858 1.00 4.44 H new ATOM 0 HB1 ALA A 18 -7.376 7.743 2.248 1.00 2.42 H new ATOM 0 HB2 ALA A 18 -8.616 6.711 3.000 1.00 2.42 H new ATOM 0 HB3 ALA A 18 -8.384 6.681 1.236 1.00 2.42 H new ATOM 276 N GLU A 19 -9.384 8.813 -0.430 1.00 21.11 N ATOM 277 CA GLU A 19 -9.126 9.437 -1.736 1.00 20.34 C ATOM 278 C GLU A 19 -10.071 10.629 -1.950 1.00 42.02 C ATOM 279 O GLU A 19 -9.649 11.679 -2.433 1.00 40.04 O ATOM 280 CB GLU A 19 -9.330 8.372 -2.850 1.00 30.12 C ATOM 281 CG GLU A 19 -9.094 8.868 -4.289 1.00 74.14 C ATOM 282 CD GLU A 19 -9.449 7.813 -5.345 1.00 30.14 C ATOM 283 OE1 GLU A 19 -10.638 7.704 -5.711 1.00 52.31 O ATOM 284 OE2 GLU A 19 -8.547 7.073 -5.789 1.00 20.13 O ATOM 0 H GLU A 19 -9.863 7.916 -0.511 1.00 21.11 H new ATOM 0 HA GLU A 19 -8.102 9.808 -1.772 1.00 20.34 H new ATOM 0 HB2 GLU A 19 -8.658 7.536 -2.657 1.00 30.12 H new ATOM 0 HB3 GLU A 19 -10.347 7.987 -2.779 1.00 30.12 H new ATOM 0 HG2 GLU A 19 -9.690 9.764 -4.462 1.00 74.14 H new ATOM 0 HG3 GLU A 19 -8.048 9.153 -4.404 1.00 74.14 H new ATOM 291 N GLU A 20 -11.346 10.440 -1.553 1.00 75.55 N ATOM 292 CA GLU A 20 -12.422 11.437 -1.660 1.00 32.12 C ATOM 293 C GLU A 20 -12.072 12.729 -0.900 1.00 24.32 C ATOM 294 O GLU A 20 -12.322 13.840 -1.382 1.00 64.30 O ATOM 295 CB GLU A 20 -13.711 10.806 -1.069 1.00 44.21 C ATOM 296 CG GLU A 20 -14.951 11.694 -1.116 1.00 71.43 C ATOM 297 CD GLU A 20 -16.143 11.110 -0.344 1.00 64.21 C ATOM 298 OE1 GLU A 20 -16.213 11.295 0.892 1.00 52.13 O ATOM 299 OE2 GLU A 20 -16.997 10.439 -0.954 1.00 30.22 O ATOM 0 H GLU A 20 -11.661 9.563 -1.138 1.00 75.55 H new ATOM 0 HA GLU A 20 -12.564 11.708 -2.706 1.00 32.12 H new ATOM 0 HB2 GLU A 20 -13.924 9.883 -1.608 1.00 44.21 H new ATOM 0 HB3 GLU A 20 -13.519 10.532 -0.032 1.00 44.21 H new ATOM 0 HG2 GLU A 20 -14.705 12.673 -0.705 1.00 71.43 H new ATOM 0 HG3 GLU A 20 -15.240 11.848 -2.156 1.00 71.43 H new ATOM 306 N LEU A 21 -11.461 12.549 0.279 1.00 61.01 N ATOM 307 CA LEU A 21 -11.077 13.652 1.177 1.00 55.41 C ATOM 308 C LEU A 21 -9.669 14.196 0.830 1.00 0.11 C ATOM 309 O LEU A 21 -9.222 15.171 1.433 1.00 41.04 O ATOM 310 CB LEU A 21 -11.113 13.156 2.651 1.00 4.32 C ATOM 311 CG LEU A 21 -12.455 12.543 3.155 1.00 23.23 C ATOM 312 CD1 LEU A 21 -12.333 12.055 4.616 1.00 30.43 C ATOM 313 CD2 LEU A 21 -13.621 13.538 2.991 1.00 23.23 C ATOM 0 H LEU A 21 -11.216 11.627 0.641 1.00 61.01 H new ATOM 0 HA LEU A 21 -11.789 14.467 1.047 1.00 55.41 H new ATOM 0 HB2 LEU A 21 -10.330 12.408 2.777 1.00 4.32 H new ATOM 0 HB3 LEU A 21 -10.859 13.996 3.298 1.00 4.32 H new ATOM 0 HG LEU A 21 -12.675 11.674 2.535 1.00 23.23 H new ATOM 0 HD11 LEU A 21 -13.284 11.633 4.939 1.00 30.43 H new ATOM 0 HD12 LEU A 21 -11.557 11.293 4.681 1.00 30.43 H new ATOM 0 HD13 LEU A 21 -12.072 12.895 5.260 1.00 30.43 H new ATOM 0 HD21 LEU A 21 -14.543 13.081 3.351 1.00 23.23 H new ATOM 0 HD22 LEU A 21 -13.414 14.440 3.567 1.00 23.23 H new ATOM 0 HD23 LEU A 21 -13.732 13.798 1.938 1.00 23.23 H new ATOM 325 N ASN A 22 -8.980 13.524 -0.129 1.00 23.03 N ATOM 326 CA ASN A 22 -7.620 13.890 -0.613 1.00 52.44 C ATOM 327 C ASN A 22 -6.574 13.800 0.514 1.00 3.21 C ATOM 328 O ASN A 22 -5.626 14.591 0.575 1.00 42.52 O ATOM 329 CB ASN A 22 -7.603 15.300 -1.296 1.00 14.12 C ATOM 330 CG ASN A 22 -8.413 15.376 -2.598 1.00 61.44 C ATOM 331 OD1 ASN A 22 -9.448 14.721 -2.750 1.00 53.30 O ATOM 332 ND2 ASN A 22 -7.940 16.164 -3.559 1.00 23.32 N ATOM 0 H ASN A 22 -9.359 12.700 -0.596 1.00 23.03 H new ATOM 0 HA ASN A 22 -7.346 13.159 -1.374 1.00 52.44 H new ATOM 0 HB2 ASN A 22 -7.994 16.037 -0.594 1.00 14.12 H new ATOM 0 HB3 ASN A 22 -6.570 15.577 -1.507 1.00 14.12 H new ATOM 0 HD21 ASN A 22 -8.435 16.238 -4.448 1.00 23.32 H new ATOM 0 HD22 ASN A 22 -7.082 16.695 -3.407 1.00 23.32 H new ATOM 339 N GLN A 23 -6.735 12.785 1.368 1.00 53.21 N ATOM 340 CA GLN A 23 -5.871 12.567 2.535 1.00 30.13 C ATOM 341 C GLN A 23 -4.818 11.531 2.155 1.00 22.41 C ATOM 342 O GLN A 23 -5.025 10.332 2.351 1.00 25.22 O ATOM 343 CB GLN A 23 -6.699 12.086 3.766 1.00 61.31 C ATOM 344 CG GLN A 23 -7.918 12.959 4.123 1.00 4.32 C ATOM 345 CD GLN A 23 -7.601 14.355 4.669 1.00 1.11 C ATOM 346 OE1 GLN A 23 -6.579 14.957 4.362 1.00 1.43 O ATOM 347 NE2 GLN A 23 -8.504 14.884 5.483 1.00 34.01 N ATOM 0 H GLN A 23 -7.472 12.087 1.270 1.00 53.21 H new ATOM 0 HA GLN A 23 -5.392 13.504 2.819 1.00 30.13 H new ATOM 0 HB2 GLN A 23 -7.044 11.070 3.576 1.00 61.31 H new ATOM 0 HB3 GLN A 23 -6.039 12.042 4.632 1.00 61.31 H new ATOM 0 HG2 GLN A 23 -8.535 13.070 3.232 1.00 4.32 H new ATOM 0 HG3 GLN A 23 -8.518 12.428 4.862 1.00 4.32 H new ATOM 0 HE21 GLN A 23 -9.346 14.359 5.721 1.00 34.01 H new ATOM 0 HE22 GLN A 23 -8.357 15.816 5.871 1.00 34.01 H new ATOM 356 N GLY A 24 -3.716 12.010 1.567 1.00 64.24 N ATOM 357 CA GLY A 24 -2.684 11.148 1.006 1.00 73.24 C ATOM 358 C GLY A 24 -1.991 10.243 2.025 1.00 0.53 C ATOM 359 O GLY A 24 -1.389 9.231 1.637 1.00 64.24 O ATOM 0 H GLY A 24 -3.520 13.006 1.470 1.00 64.24 H new ATOM 0 HA2 GLY A 24 -3.130 10.526 0.230 1.00 73.24 H new ATOM 0 HA3 GLY A 24 -1.932 11.771 0.521 1.00 73.24 H new ATOM 363 N GLU A 25 -2.058 10.597 3.331 1.00 51.21 N ATOM 364 CA GLU A 25 -1.593 9.697 4.391 1.00 62.14 C ATOM 365 C GLU A 25 -2.514 8.467 4.439 1.00 44.33 C ATOM 366 O GLU A 25 -2.039 7.349 4.332 1.00 73.41 O ATOM 367 CB GLU A 25 -1.506 10.389 5.784 1.00 34.12 C ATOM 368 CG GLU A 25 -2.825 10.951 6.367 1.00 30.45 C ATOM 369 CD GLU A 25 -2.684 11.398 7.834 1.00 13.52 C ATOM 370 OE1 GLU A 25 -2.822 10.544 8.736 1.00 64.24 O ATOM 371 OE2 GLU A 25 -2.379 12.583 8.086 1.00 3.32 O ATOM 0 H GLU A 25 -2.426 11.488 3.663 1.00 51.21 H new ATOM 0 HA GLU A 25 -0.574 9.392 4.151 1.00 62.14 H new ATOM 0 HB2 GLU A 25 -1.099 9.671 6.495 1.00 34.12 H new ATOM 0 HB3 GLU A 25 -0.790 11.208 5.713 1.00 34.12 H new ATOM 0 HG2 GLU A 25 -3.152 11.798 5.763 1.00 30.45 H new ATOM 0 HG3 GLU A 25 -3.602 10.190 6.297 1.00 30.45 H new ATOM 378 N LEU A 26 -3.843 8.708 4.518 1.00 32.12 N ATOM 379 CA LEU A 26 -4.874 7.655 4.591 1.00 13.50 C ATOM 380 C LEU A 26 -4.880 6.794 3.313 1.00 1.35 C ATOM 381 O LEU A 26 -5.133 5.593 3.375 1.00 10.24 O ATOM 382 CB LEU A 26 -6.273 8.308 4.817 1.00 34.21 C ATOM 383 CG LEU A 26 -6.593 8.790 6.267 1.00 24.31 C ATOM 384 CD1 LEU A 26 -7.889 9.629 6.315 1.00 70.33 C ATOM 385 CD2 LEU A 26 -6.700 7.585 7.222 1.00 75.43 C ATOM 0 H LEU A 26 -4.231 9.651 4.533 1.00 32.12 H new ATOM 0 HA LEU A 26 -4.643 6.999 5.430 1.00 13.50 H new ATOM 0 HB2 LEU A 26 -6.363 9.163 4.146 1.00 34.21 H new ATOM 0 HB3 LEU A 26 -7.037 7.589 4.521 1.00 34.21 H new ATOM 0 HG LEU A 26 -5.772 9.429 6.592 1.00 24.31 H new ATOM 0 HD11 LEU A 26 -8.079 9.947 7.340 1.00 70.33 H new ATOM 0 HD12 LEU A 26 -7.778 10.506 5.678 1.00 70.33 H new ATOM 0 HD13 LEU A 26 -8.726 9.027 5.961 1.00 70.33 H new ATOM 0 HD21 LEU A 26 -6.923 7.937 8.229 1.00 75.43 H new ATOM 0 HD22 LEU A 26 -7.497 6.923 6.884 1.00 75.43 H new ATOM 0 HD23 LEU A 26 -5.755 7.041 7.229 1.00 75.43 H new ATOM 397 N MET A 27 -4.591 7.438 2.166 1.00 61.24 N ATOM 398 CA MET A 27 -4.554 6.787 0.845 1.00 10.25 C ATOM 399 C MET A 27 -3.359 5.830 0.748 1.00 64.12 C ATOM 400 O MET A 27 -3.523 4.667 0.382 1.00 21.10 O ATOM 401 CB MET A 27 -4.484 7.859 -0.275 1.00 65.11 C ATOM 402 CG MET A 27 -5.721 8.762 -0.359 1.00 72.35 C ATOM 403 SD MET A 27 -5.441 10.302 -1.258 1.00 52.14 S ATOM 404 CE MET A 27 -4.917 9.705 -2.856 1.00 24.25 C ATOM 0 H MET A 27 -4.375 8.434 2.132 1.00 61.24 H new ATOM 0 HA MET A 27 -5.467 6.206 0.717 1.00 10.25 H new ATOM 0 HB2 MET A 27 -3.604 8.481 -0.112 1.00 65.11 H new ATOM 0 HB3 MET A 27 -4.348 7.358 -1.234 1.00 65.11 H new ATOM 0 HG2 MET A 27 -6.528 8.212 -0.842 1.00 72.35 H new ATOM 0 HG3 MET A 27 -6.056 8.998 0.651 1.00 72.35 H new ATOM 0 HE1 MET A 27 -4.779 10.549 -3.532 1.00 24.25 H new ATOM 0 HE2 MET A 27 -3.975 9.166 -2.752 1.00 24.25 H new ATOM 0 HE3 MET A 27 -5.676 9.035 -3.261 1.00 24.25 H new ATOM 414 N GLY A 28 -2.169 6.339 1.110 1.00 22.30 N ATOM 415 CA GLY A 28 -0.942 5.553 1.100 1.00 1.24 C ATOM 416 C GLY A 28 -0.991 4.391 2.095 1.00 22.35 C ATOM 417 O GLY A 28 -0.544 3.294 1.792 1.00 61.23 O ATOM 0 H GLY A 28 -2.040 7.304 1.415 1.00 22.30 H new ATOM 0 HA2 GLY A 28 -0.771 5.163 0.097 1.00 1.24 H new ATOM 0 HA3 GLY A 28 -0.097 6.199 1.339 1.00 1.24 H new ATOM 421 N ARG A 29 -1.550 4.665 3.295 1.00 11.55 N ATOM 422 CA ARG A 29 -1.727 3.671 4.381 1.00 11.34 C ATOM 423 C ARG A 29 -2.676 2.549 3.938 1.00 3.34 C ATOM 424 O ARG A 29 -2.427 1.378 4.227 1.00 34.21 O ATOM 425 CB ARG A 29 -2.274 4.356 5.673 1.00 62.01 C ATOM 426 CG ARG A 29 -1.230 5.208 6.438 1.00 51.21 C ATOM 427 CD ARG A 29 -1.877 6.248 7.372 1.00 2.52 C ATOM 428 NE ARG A 29 -2.873 5.662 8.279 1.00 40.41 N ATOM 429 CZ ARG A 29 -3.754 6.362 9.007 1.00 3.12 C ATOM 430 NH1 ARG A 29 -3.790 7.694 8.959 1.00 62.32 N ATOM 431 NH2 ARG A 29 -4.611 5.722 9.774 1.00 1.51 N ATOM 0 H ARG A 29 -1.895 5.593 3.541 1.00 11.55 H new ATOM 0 HA ARG A 29 -0.752 3.237 4.603 1.00 11.34 H new ATOM 0 HB2 ARG A 29 -3.117 4.993 5.403 1.00 62.01 H new ATOM 0 HB3 ARG A 29 -2.658 3.586 6.343 1.00 62.01 H new ATOM 0 HG2 ARG A 29 -0.589 4.549 7.024 1.00 51.21 H new ATOM 0 HG3 ARG A 29 -0.589 5.720 5.720 1.00 51.21 H new ATOM 0 HD2 ARG A 29 -1.099 6.734 7.961 1.00 2.52 H new ATOM 0 HD3 ARG A 29 -2.352 7.023 6.771 1.00 2.52 H new ATOM 0 HE ARG A 29 -2.896 4.646 8.361 1.00 40.41 H new ATOM 0 HH11 ARG A 29 -3.138 8.201 8.360 1.00 62.32 H new ATOM 0 HH12 ARG A 29 -4.469 8.206 9.522 1.00 62.32 H new ATOM 0 HH21 ARG A 29 -4.600 4.703 9.810 1.00 1.51 H new ATOM 0 HH22 ARG A 29 -5.286 6.245 10.332 1.00 1.51 H new ATOM 445 N ALA A 30 -3.750 2.935 3.219 1.00 63.44 N ATOM 446 CA ALA A 30 -4.758 2.002 2.693 1.00 71.01 C ATOM 447 C ALA A 30 -4.114 1.043 1.681 1.00 42.55 C ATOM 448 O ALA A 30 -4.222 -0.173 1.828 1.00 14.14 O ATOM 449 CB ALA A 30 -5.922 2.778 2.052 1.00 52.34 C ATOM 0 H ALA A 30 -3.940 3.910 2.988 1.00 63.44 H new ATOM 0 HA ALA A 30 -5.158 1.412 3.517 1.00 71.01 H new ATOM 0 HB1 ALA A 30 -6.660 2.074 1.667 1.00 52.34 H new ATOM 0 HB2 ALA A 30 -6.388 3.419 2.800 1.00 52.34 H new ATOM 0 HB3 ALA A 30 -5.544 3.391 1.234 1.00 52.34 H new ATOM 455 N LEU A 31 -3.385 1.624 0.699 1.00 25.41 N ATOM 456 CA LEU A 31 -2.672 0.868 -0.359 1.00 11.44 C ATOM 457 C LEU A 31 -1.569 -0.018 0.240 1.00 13.13 C ATOM 458 O LEU A 31 -1.304 -1.108 -0.263 1.00 13.14 O ATOM 459 CB LEU A 31 -2.062 1.846 -1.403 1.00 52.13 C ATOM 460 CG LEU A 31 -3.090 2.726 -2.174 1.00 62.24 C ATOM 461 CD1 LEU A 31 -2.385 3.743 -3.086 1.00 53.02 C ATOM 462 CD2 LEU A 31 -4.089 1.852 -2.962 1.00 62.32 C ATOM 0 H LEU A 31 -3.274 2.635 0.618 1.00 25.41 H new ATOM 0 HA LEU A 31 -3.396 0.222 -0.856 1.00 11.44 H new ATOM 0 HB2 LEU A 31 -1.358 2.503 -0.892 1.00 52.13 H new ATOM 0 HB3 LEU A 31 -1.490 1.267 -2.127 1.00 52.13 H new ATOM 0 HG LEU A 31 -3.660 3.294 -1.438 1.00 62.24 H new ATOM 0 HD11 LEU A 31 -3.131 4.341 -3.609 1.00 53.02 H new ATOM 0 HD12 LEU A 31 -1.754 4.396 -2.483 1.00 53.02 H new ATOM 0 HD13 LEU A 31 -1.769 3.214 -3.813 1.00 53.02 H new ATOM 0 HD21 LEU A 31 -4.795 2.493 -3.491 1.00 62.32 H new ATOM 0 HD22 LEU A 31 -3.547 1.238 -3.681 1.00 62.32 H new ATOM 0 HD23 LEU A 31 -4.632 1.207 -2.271 1.00 62.32 H new ATOM 474 N TYR A 32 -0.953 0.472 1.333 1.00 0.23 N ATOM 475 CA TYR A 32 0.102 -0.251 2.057 1.00 22.24 C ATOM 476 C TYR A 32 -0.485 -1.516 2.714 1.00 21.20 C ATOM 477 O TYR A 32 0.115 -2.588 2.651 1.00 64.30 O ATOM 478 CB TYR A 32 0.770 0.671 3.123 1.00 45.55 C ATOM 479 CG TYR A 32 1.988 0.043 3.821 1.00 74.51 C ATOM 480 CD1 TYR A 32 3.189 -0.105 3.130 1.00 1.24 C ATOM 481 CD2 TYR A 32 1.932 -0.419 5.137 1.00 5.13 C ATOM 482 CE1 TYR A 32 4.286 -0.689 3.720 1.00 55.13 C ATOM 483 CE2 TYR A 32 3.032 -1.008 5.728 1.00 55.34 C ATOM 484 CZ TYR A 32 4.208 -1.141 5.012 1.00 70.53 C ATOM 485 OH TYR A 32 5.308 -1.732 5.587 1.00 34.54 O ATOM 0 H TYR A 32 -1.176 1.382 1.737 1.00 0.23 H new ATOM 0 HA TYR A 32 0.873 -0.553 1.348 1.00 22.24 H new ATOM 0 HB2 TYR A 32 1.079 1.599 2.643 1.00 45.55 H new ATOM 0 HB3 TYR A 32 0.028 0.934 3.877 1.00 45.55 H new ATOM 0 HD1 TYR A 32 3.260 0.246 2.111 1.00 1.24 H new ATOM 0 HD2 TYR A 32 1.016 -0.314 5.700 1.00 5.13 H new ATOM 0 HE1 TYR A 32 5.207 -0.791 3.166 1.00 55.13 H new ATOM 0 HE2 TYR A 32 2.974 -1.364 6.746 1.00 55.34 H new ATOM 0 HH TYR A 32 5.046 -2.585 5.993 1.00 34.54 H new ATOM 495 N ASN A 33 -1.690 -1.376 3.316 1.00 41.50 N ATOM 496 CA ASN A 33 -2.410 -2.489 3.974 1.00 0.14 C ATOM 497 C ASN A 33 -2.832 -3.538 2.938 1.00 22.32 C ATOM 498 O ASN A 33 -2.643 -4.735 3.159 1.00 50.52 O ATOM 499 CB ASN A 33 -3.650 -1.968 4.756 1.00 51.31 C ATOM 500 CG ASN A 33 -3.314 -1.253 6.076 1.00 72.00 C ATOM 501 OD1 ASN A 33 -4.098 -1.301 7.021 1.00 5.22 O ATOM 502 ND2 ASN A 33 -2.161 -0.591 6.166 1.00 54.44 N ATOM 0 H ASN A 33 -2.189 -0.487 3.358 1.00 41.50 H new ATOM 0 HA ASN A 33 -1.732 -2.955 4.689 1.00 0.14 H new ATOM 0 HB2 ASN A 33 -4.206 -1.282 4.117 1.00 51.31 H new ATOM 0 HB3 ASN A 33 -4.309 -2.809 4.970 1.00 51.31 H new ATOM 0 HD21 ASN A 33 -1.915 -0.111 7.032 1.00 54.44 H new ATOM 0 HD22 ASN A 33 -1.525 -0.564 5.369 1.00 54.44 H new ATOM 509 N ILE A 34 -3.369 -3.051 1.796 1.00 24.34 N ATOM 510 CA ILE A 34 -3.754 -3.894 0.642 1.00 22.12 C ATOM 511 C ILE A 34 -2.549 -4.718 0.165 1.00 71.02 C ATOM 512 O ILE A 34 -2.675 -5.914 -0.094 1.00 62.02 O ATOM 513 CB ILE A 34 -4.287 -3.016 -0.560 1.00 55.14 C ATOM 514 CG1 ILE A 34 -5.558 -2.209 -0.156 1.00 35.31 C ATOM 515 CG2 ILE A 34 -4.565 -3.884 -1.814 1.00 75.23 C ATOM 516 CD1 ILE A 34 -5.960 -1.124 -1.150 1.00 2.54 C ATOM 0 H ILE A 34 -3.548 -2.058 1.649 1.00 24.34 H new ATOM 0 HA ILE A 34 -4.553 -4.558 0.971 1.00 22.12 H new ATOM 0 HB ILE A 34 -3.502 -2.303 -0.811 1.00 55.14 H new ATOM 0 HG12 ILE A 34 -6.391 -2.902 -0.037 1.00 35.31 H new ATOM 0 HG13 ILE A 34 -5.386 -1.748 0.817 1.00 35.31 H new ATOM 0 HG21 ILE A 34 -4.930 -3.250 -2.622 1.00 75.23 H new ATOM 0 HG22 ILE A 34 -3.644 -4.376 -2.127 1.00 75.23 H new ATOM 0 HG23 ILE A 34 -5.316 -4.637 -1.576 1.00 75.23 H new ATOM 0 HD11 ILE A 34 -6.853 -0.613 -0.790 1.00 2.54 H new ATOM 0 HD12 ILE A 34 -5.147 -0.405 -1.252 1.00 2.54 H new ATOM 0 HD13 ILE A 34 -6.167 -1.577 -2.119 1.00 2.54 H new ATOM 528 N GLY A 35 -1.386 -4.045 0.080 1.00 2.24 N ATOM 529 CA GLY A 35 -0.141 -4.664 -0.344 1.00 11.41 C ATOM 530 C GLY A 35 0.310 -5.773 0.601 1.00 41.42 C ATOM 531 O GLY A 35 0.759 -6.822 0.150 1.00 23.32 O ATOM 0 H GLY A 35 -1.296 -3.055 0.307 1.00 2.24 H new ATOM 0 HA2 GLY A 35 -0.265 -5.073 -1.347 1.00 11.41 H new ATOM 0 HA3 GLY A 35 0.637 -3.903 -0.404 1.00 11.41 H new ATOM 535 N LEU A 36 0.184 -5.525 1.922 1.00 21.34 N ATOM 536 CA LEU A 36 0.539 -6.512 2.970 1.00 32.32 C ATOM 537 C LEU A 36 -0.356 -7.758 2.879 1.00 31.11 C ATOM 538 O LEU A 36 0.090 -8.879 3.139 1.00 25.30 O ATOM 539 CB LEU A 36 0.433 -5.889 4.389 1.00 4.53 C ATOM 540 CG LEU A 36 1.422 -4.731 4.706 1.00 21.43 C ATOM 541 CD1 LEU A 36 1.138 -4.124 6.091 1.00 2.21 C ATOM 542 CD2 LEU A 36 2.893 -5.194 4.580 1.00 61.52 C ATOM 0 H LEU A 36 -0.164 -4.641 2.293 1.00 21.34 H new ATOM 0 HA LEU A 36 1.574 -6.810 2.799 1.00 32.32 H new ATOM 0 HB2 LEU A 36 -0.583 -5.519 4.526 1.00 4.53 H new ATOM 0 HB3 LEU A 36 0.585 -6.680 5.123 1.00 4.53 H new ATOM 0 HG LEU A 36 1.265 -3.948 3.964 1.00 21.43 H new ATOM 0 HD11 LEU A 36 1.844 -3.317 6.286 1.00 2.21 H new ATOM 0 HD12 LEU A 36 0.122 -3.731 6.114 1.00 2.21 H new ATOM 0 HD13 LEU A 36 1.247 -4.894 6.855 1.00 2.21 H new ATOM 0 HD21 LEU A 36 3.558 -4.361 4.808 1.00 61.52 H new ATOM 0 HD22 LEU A 36 3.079 -6.009 5.280 1.00 61.52 H new ATOM 0 HD23 LEU A 36 3.080 -5.539 3.563 1.00 61.52 H new ATOM 554 N GLU A 37 -1.622 -7.533 2.514 1.00 71.25 N ATOM 555 CA GLU A 37 -2.615 -8.595 2.336 1.00 60.53 C ATOM 556 C GLU A 37 -2.288 -9.444 1.085 1.00 42.24 C ATOM 557 O GLU A 37 -2.405 -10.665 1.122 1.00 71.23 O ATOM 558 CB GLU A 37 -4.025 -7.984 2.227 1.00 61.40 C ATOM 559 CG GLU A 37 -4.540 -7.259 3.485 1.00 11.15 C ATOM 560 CD GLU A 37 -4.823 -8.208 4.655 1.00 23.14 C ATOM 561 OE1 GLU A 37 -5.930 -8.787 4.707 1.00 44.23 O ATOM 562 OE2 GLU A 37 -3.936 -8.399 5.515 1.00 11.33 O ATOM 0 H GLU A 37 -1.989 -6.599 2.332 1.00 71.25 H new ATOM 0 HA GLU A 37 -2.585 -9.252 3.205 1.00 60.53 H new ATOM 0 HB2 GLU A 37 -4.032 -7.279 1.396 1.00 61.40 H new ATOM 0 HB3 GLU A 37 -4.727 -8.779 1.976 1.00 61.40 H new ATOM 0 HG2 GLU A 37 -3.804 -6.518 3.796 1.00 11.15 H new ATOM 0 HG3 GLU A 37 -5.452 -6.717 3.236 1.00 11.15 H new ATOM 569 N LYS A 38 -1.860 -8.777 -0.007 1.00 25.43 N ATOM 570 CA LYS A 38 -1.368 -9.451 -1.229 1.00 15.53 C ATOM 571 C LYS A 38 -0.137 -10.323 -0.892 1.00 40.03 C ATOM 572 O LYS A 38 -0.032 -11.470 -1.314 1.00 50.15 O ATOM 573 CB LYS A 38 -0.968 -8.399 -2.299 1.00 71.10 C ATOM 574 CG LYS A 38 -2.107 -7.502 -2.812 1.00 43.52 C ATOM 575 CD LYS A 38 -3.174 -8.282 -3.607 1.00 74.54 C ATOM 576 CE LYS A 38 -4.235 -7.354 -4.208 1.00 42.13 C ATOM 577 NZ LYS A 38 -5.216 -8.102 -5.020 1.00 40.21 N ATOM 0 H LYS A 38 -1.845 -7.759 -0.068 1.00 25.43 H new ATOM 0 HA LYS A 38 -2.166 -10.081 -1.622 1.00 15.53 H new ATOM 0 HB2 LYS A 38 -0.189 -7.762 -1.881 1.00 71.10 H new ATOM 0 HB3 LYS A 38 -0.531 -8.922 -3.150 1.00 71.10 H new ATOM 0 HG2 LYS A 38 -2.582 -7.007 -1.965 1.00 43.52 H new ATOM 0 HG3 LYS A 38 -1.689 -6.720 -3.445 1.00 43.52 H new ATOM 0 HD2 LYS A 38 -2.691 -8.845 -4.405 1.00 74.54 H new ATOM 0 HD3 LYS A 38 -3.656 -9.007 -2.952 1.00 74.54 H new ATOM 0 HE2 LYS A 38 -4.752 -6.826 -3.407 1.00 42.13 H new ATOM 0 HE3 LYS A 38 -3.750 -6.599 -4.827 1.00 42.13 H new ATOM 0 HZ1 LYS A 38 -5.868 -7.434 -5.479 1.00 40.21 H new ATOM 0 HZ2 LYS A 38 -4.717 -8.654 -5.747 1.00 40.21 H new ATOM 0 HZ3 LYS A 38 -5.755 -8.746 -4.407 1.00 40.21 H new ATOM 591 N ASN A 39 0.744 -9.736 -0.070 1.00 31.20 N ATOM 592 CA ASN A 39 2.038 -10.311 0.341 1.00 23.14 C ATOM 593 C ASN A 39 1.837 -11.653 1.092 1.00 15.24 C ATOM 594 O ASN A 39 2.515 -12.647 0.799 1.00 21.15 O ATOM 595 CB ASN A 39 2.777 -9.255 1.225 1.00 14.21 C ATOM 596 CG ASN A 39 4.251 -9.548 1.525 1.00 11.34 C ATOM 597 OD1 ASN A 39 4.677 -10.693 1.574 1.00 65.42 O ATOM 598 ND2 ASN A 39 5.039 -8.495 1.726 1.00 70.51 N ATOM 0 H ASN A 39 0.573 -8.819 0.342 1.00 31.20 H new ATOM 0 HA ASN A 39 2.645 -10.539 -0.535 1.00 23.14 H new ATOM 0 HB2 ASN A 39 2.713 -8.286 0.730 1.00 14.21 H new ATOM 0 HB3 ASN A 39 2.244 -9.165 2.172 1.00 14.21 H new ATOM 0 HD21 ASN A 39 6.030 -8.630 1.928 1.00 70.51 H new ATOM 0 HD22 ASN A 39 4.653 -7.552 1.678 1.00 70.51 H new ATOM 605 N LYS A 40 0.881 -11.667 2.048 1.00 22.45 N ATOM 606 CA LYS A 40 0.561 -12.867 2.854 1.00 51.22 C ATOM 607 C LYS A 40 -0.256 -13.907 2.050 1.00 1.42 C ATOM 608 O LYS A 40 -0.254 -15.092 2.391 1.00 20.32 O ATOM 609 CB LYS A 40 -0.185 -12.480 4.157 1.00 43.12 C ATOM 610 CG LYS A 40 -1.562 -11.810 3.956 1.00 23.54 C ATOM 611 CD LYS A 40 -2.313 -11.516 5.275 1.00 23.01 C ATOM 612 CE LYS A 40 -1.507 -10.651 6.262 1.00 65.33 C ATOM 613 NZ LYS A 40 -1.126 -9.344 5.676 1.00 65.04 N ATOM 0 H LYS A 40 0.313 -10.853 2.282 1.00 22.45 H new ATOM 0 HA LYS A 40 1.510 -13.332 3.122 1.00 51.22 H new ATOM 0 HB2 LYS A 40 -0.321 -13.379 4.759 1.00 43.12 H new ATOM 0 HB3 LYS A 40 0.449 -11.805 4.732 1.00 43.12 H new ATOM 0 HG2 LYS A 40 -1.425 -10.876 3.411 1.00 23.54 H new ATOM 0 HG3 LYS A 40 -2.181 -12.455 3.332 1.00 23.54 H new ATOM 0 HD2 LYS A 40 -3.251 -11.011 5.045 1.00 23.01 H new ATOM 0 HD3 LYS A 40 -2.568 -12.460 5.756 1.00 23.01 H new ATOM 0 HE2 LYS A 40 -2.097 -10.485 7.163 1.00 65.33 H new ATOM 0 HE3 LYS A 40 -0.608 -11.188 6.564 1.00 65.33 H new ATOM 0 HZ1 LYS A 40 -0.542 -8.816 6.356 1.00 65.04 H new ATOM 0 HZ2 LYS A 40 -0.584 -9.500 4.802 1.00 65.04 H new ATOM 0 HZ3 LYS A 40 -1.984 -8.798 5.458 1.00 65.04 H new ATOM 627 N MET A 41 -0.977 -13.447 1.001 1.00 1.04 N ATOM 628 CA MET A 41 -1.699 -14.340 0.059 1.00 70.52 C ATOM 629 C MET A 41 -0.722 -15.019 -0.920 1.00 3.43 C ATOM 630 O MET A 41 -1.078 -16.008 -1.571 1.00 33.24 O ATOM 631 CB MET A 41 -2.778 -13.547 -0.736 1.00 52.41 C ATOM 632 CG MET A 41 -4.015 -13.150 0.078 1.00 52.11 C ATOM 633 SD MET A 41 -5.139 -12.060 -0.830 1.00 34.44 S ATOM 634 CE MET A 41 -5.515 -13.017 -2.297 1.00 52.51 C ATOM 0 H MET A 41 -1.076 -12.455 0.783 1.00 1.04 H new ATOM 0 HA MET A 41 -2.192 -15.113 0.649 1.00 70.52 H new ATOM 0 HB2 MET A 41 -2.321 -12.644 -1.139 1.00 52.41 H new ATOM 0 HB3 MET A 41 -3.098 -14.149 -1.586 1.00 52.41 H new ATOM 0 HG2 MET A 41 -4.552 -14.051 0.375 1.00 52.11 H new ATOM 0 HG3 MET A 41 -3.696 -12.652 0.994 1.00 52.11 H new ATOM 0 HE1 MET A 41 -6.238 -12.477 -2.908 1.00 52.51 H new ATOM 0 HE2 MET A 41 -4.602 -13.177 -2.871 1.00 52.51 H new ATOM 0 HE3 MET A 41 -5.934 -13.980 -2.006 1.00 52.51 H new ATOM 644 N GLY A 42 0.502 -14.470 -1.020 1.00 34.44 N ATOM 645 CA GLY A 42 1.512 -14.968 -1.949 1.00 14.12 C ATOM 646 C GLY A 42 1.527 -14.197 -3.265 1.00 51.23 C ATOM 647 O GLY A 42 2.337 -14.497 -4.139 1.00 34.12 O ATOM 0 H GLY A 42 0.810 -13.675 -0.460 1.00 34.44 H new ATOM 0 HA2 GLY A 42 2.495 -14.902 -1.482 1.00 14.12 H new ATOM 0 HA3 GLY A 42 1.326 -16.023 -2.152 1.00 14.12 H new ATOM 651 N LYS A 43 0.617 -13.207 -3.400 1.00 11.40 N ATOM 652 CA LYS A 43 0.530 -12.311 -4.574 1.00 23.40 C ATOM 653 C LYS A 43 1.464 -11.105 -4.380 1.00 21.33 C ATOM 654 O LYS A 43 1.032 -9.952 -4.250 1.00 54.30 O ATOM 655 CB LYS A 43 -0.944 -11.876 -4.816 1.00 13.23 C ATOM 656 CG LYS A 43 -1.890 -13.052 -5.120 1.00 5.43 C ATOM 657 CD LYS A 43 -3.314 -12.586 -5.496 1.00 62.04 C ATOM 658 CE LYS A 43 -4.211 -13.752 -5.934 1.00 5.30 C ATOM 659 NZ LYS A 43 -5.543 -13.288 -6.393 1.00 51.51 N ATOM 0 H LYS A 43 -0.086 -13.006 -2.689 1.00 11.40 H new ATOM 0 HA LYS A 43 0.858 -12.846 -5.465 1.00 23.40 H new ATOM 0 HB2 LYS A 43 -1.307 -11.346 -3.935 1.00 13.23 H new ATOM 0 HB3 LYS A 43 -0.975 -11.171 -5.647 1.00 13.23 H new ATOM 0 HG2 LYS A 43 -1.477 -13.644 -5.937 1.00 5.43 H new ATOM 0 HG3 LYS A 43 -1.943 -13.705 -4.249 1.00 5.43 H new ATOM 0 HD2 LYS A 43 -3.767 -12.083 -4.642 1.00 62.04 H new ATOM 0 HD3 LYS A 43 -3.254 -11.854 -6.302 1.00 62.04 H new ATOM 0 HE2 LYS A 43 -3.722 -14.303 -6.738 1.00 5.30 H new ATOM 0 HE3 LYS A 43 -4.336 -14.445 -5.102 1.00 5.30 H new ATOM 0 HZ1 LYS A 43 -6.116 -14.107 -6.679 1.00 51.51 H new ATOM 0 HZ2 LYS A 43 -6.021 -12.785 -5.619 1.00 51.51 H new ATOM 0 HZ3 LYS A 43 -5.427 -12.646 -7.203 1.00 51.51 H new ATOM 673 N VAL A 44 2.763 -11.408 -4.387 1.00 31.32 N ATOM 674 CA VAL A 44 3.825 -10.459 -4.034 1.00 11.20 C ATOM 675 C VAL A 44 4.024 -9.391 -5.136 1.00 73.51 C ATOM 676 O VAL A 44 4.447 -8.270 -4.845 1.00 12.15 O ATOM 677 CB VAL A 44 5.168 -11.225 -3.757 1.00 11.25 C ATOM 678 CG1 VAL A 44 6.281 -10.263 -3.292 1.00 14.33 C ATOM 679 CG2 VAL A 44 4.956 -12.364 -2.724 1.00 4.22 C ATOM 0 H VAL A 44 3.114 -12.331 -4.641 1.00 31.32 H new ATOM 0 HA VAL A 44 3.521 -9.939 -3.126 1.00 11.20 H new ATOM 0 HB VAL A 44 5.489 -11.674 -4.697 1.00 11.25 H new ATOM 0 HG11 VAL A 44 7.196 -10.826 -3.109 1.00 14.33 H new ATOM 0 HG12 VAL A 44 6.463 -9.516 -4.065 1.00 14.33 H new ATOM 0 HG13 VAL A 44 5.972 -9.766 -2.373 1.00 14.33 H new ATOM 0 HG21 VAL A 44 5.901 -12.878 -2.550 1.00 4.22 H new ATOM 0 HG22 VAL A 44 4.595 -11.942 -1.786 1.00 4.22 H new ATOM 0 HG23 VAL A 44 4.223 -13.073 -3.109 1.00 4.22 H new ATOM 689 N LYS A 45 3.689 -9.740 -6.391 1.00 10.12 N ATOM 690 CA LYS A 45 3.825 -8.821 -7.550 1.00 74.34 C ATOM 691 C LYS A 45 2.809 -7.681 -7.427 1.00 75.43 C ATOM 692 O LYS A 45 3.132 -6.520 -7.712 1.00 53.54 O ATOM 693 CB LYS A 45 3.638 -9.568 -8.911 1.00 2.34 C ATOM 694 CG LYS A 45 4.813 -10.485 -9.337 1.00 34.13 C ATOM 695 CD LYS A 45 5.134 -11.607 -8.322 1.00 30.22 C ATOM 696 CE LYS A 45 6.144 -12.640 -8.842 1.00 60.41 C ATOM 697 NZ LYS A 45 5.591 -13.401 -9.988 1.00 22.24 N ATOM 0 H LYS A 45 3.319 -10.658 -6.636 1.00 10.12 H new ATOM 0 HA LYS A 45 4.836 -8.414 -7.539 1.00 74.34 H new ATOM 0 HB2 LYS A 45 2.732 -10.171 -8.853 1.00 2.34 H new ATOM 0 HB3 LYS A 45 3.477 -8.826 -9.693 1.00 2.34 H new ATOM 0 HG2 LYS A 45 4.577 -10.937 -10.300 1.00 34.13 H new ATOM 0 HG3 LYS A 45 5.704 -9.874 -9.481 1.00 34.13 H new ATOM 0 HD2 LYS A 45 5.525 -11.158 -7.409 1.00 30.22 H new ATOM 0 HD3 LYS A 45 4.209 -12.119 -8.055 1.00 30.22 H new ATOM 0 HE2 LYS A 45 7.061 -12.135 -9.146 1.00 60.41 H new ATOM 0 HE3 LYS A 45 6.410 -13.328 -8.040 1.00 60.41 H new ATOM 0 HZ1 LYS A 45 6.192 -14.228 -10.178 1.00 22.24 H new ATOM 0 HZ2 LYS A 45 4.627 -13.718 -9.761 1.00 22.24 H new ATOM 0 HZ3 LYS A 45 5.566 -12.791 -10.830 1.00 22.24 H new ATOM 711 N GLU A 46 1.582 -8.033 -6.992 1.00 62.53 N ATOM 712 CA GLU A 46 0.518 -7.049 -6.736 1.00 21.35 C ATOM 713 C GLU A 46 0.854 -6.208 -5.496 1.00 45.52 C ATOM 714 O GLU A 46 0.579 -5.005 -5.473 1.00 23.31 O ATOM 715 CB GLU A 46 -0.873 -7.712 -6.567 1.00 73.54 C ATOM 716 CG GLU A 46 -1.347 -8.522 -7.793 1.00 72.03 C ATOM 717 CD GLU A 46 -2.869 -8.779 -7.803 1.00 61.21 C ATOM 718 OE1 GLU A 46 -3.366 -9.538 -6.942 1.00 74.35 O ATOM 719 OE2 GLU A 46 -3.581 -8.188 -8.650 1.00 63.41 O ATOM 0 H GLU A 46 1.306 -8.998 -6.811 1.00 62.53 H new ATOM 0 HA GLU A 46 0.466 -6.402 -7.612 1.00 21.35 H new ATOM 0 HB2 GLU A 46 -0.844 -8.372 -5.700 1.00 73.54 H new ATOM 0 HB3 GLU A 46 -1.608 -6.936 -6.353 1.00 73.54 H new ATOM 0 HG2 GLU A 46 -1.070 -7.988 -8.702 1.00 72.03 H new ATOM 0 HG3 GLU A 46 -0.824 -9.478 -7.813 1.00 72.03 H new ATOM 726 N ALA A 47 1.473 -6.864 -4.481 1.00 52.11 N ATOM 727 CA ALA A 47 1.950 -6.204 -3.249 1.00 23.00 C ATOM 728 C ALA A 47 2.886 -5.044 -3.605 1.00 52.42 C ATOM 729 O ALA A 47 2.704 -3.928 -3.117 1.00 31.14 O ATOM 730 CB ALA A 47 2.666 -7.221 -2.332 1.00 35.14 C ATOM 0 H ALA A 47 1.653 -7.868 -4.499 1.00 52.11 H new ATOM 0 HA ALA A 47 1.091 -5.806 -2.708 1.00 23.00 H new ATOM 0 HB1 ALA A 47 3.011 -6.717 -1.429 1.00 35.14 H new ATOM 0 HB2 ALA A 47 1.973 -8.017 -2.061 1.00 35.14 H new ATOM 0 HB3 ALA A 47 3.520 -7.647 -2.858 1.00 35.14 H new ATOM 736 N ILE A 48 3.841 -5.335 -4.516 1.00 12.13 N ATOM 737 CA ILE A 48 4.804 -4.358 -5.055 1.00 42.32 C ATOM 738 C ILE A 48 4.089 -3.144 -5.665 1.00 20.41 C ATOM 739 O ILE A 48 4.454 -2.010 -5.357 1.00 61.10 O ATOM 740 CB ILE A 48 5.760 -5.035 -6.122 1.00 20.42 C ATOM 741 CG1 ILE A 48 6.703 -6.056 -5.417 1.00 54.10 C ATOM 742 CG2 ILE A 48 6.575 -3.997 -6.948 1.00 41.30 C ATOM 743 CD1 ILE A 48 7.611 -6.839 -6.349 1.00 63.31 C ATOM 0 H ILE A 48 3.963 -6.271 -4.901 1.00 12.13 H new ATOM 0 HA ILE A 48 5.413 -4.005 -4.223 1.00 42.32 H new ATOM 0 HB ILE A 48 5.129 -5.562 -6.837 1.00 20.42 H new ATOM 0 HG12 ILE A 48 7.321 -5.520 -4.697 1.00 54.10 H new ATOM 0 HG13 ILE A 48 6.093 -6.760 -4.851 1.00 54.10 H new ATOM 0 HG21 ILE A 48 7.212 -4.519 -7.662 1.00 41.30 H new ATOM 0 HG22 ILE A 48 5.890 -3.341 -7.485 1.00 41.30 H new ATOM 0 HG23 ILE A 48 7.195 -3.403 -6.276 1.00 41.30 H new ATOM 0 HD11 ILE A 48 8.228 -7.522 -5.766 1.00 63.31 H new ATOM 0 HD12 ILE A 48 7.005 -7.409 -7.054 1.00 63.31 H new ATOM 0 HD13 ILE A 48 8.252 -6.149 -6.897 1.00 63.31 H new ATOM 755 N GLU A 49 3.056 -3.406 -6.503 1.00 44.33 N ATOM 756 CA GLU A 49 2.273 -2.347 -7.181 1.00 74.33 C ATOM 757 C GLU A 49 1.702 -1.360 -6.159 1.00 3.11 C ATOM 758 O GLU A 49 1.881 -0.150 -6.292 1.00 22.03 O ATOM 759 CB GLU A 49 1.111 -2.945 -8.022 1.00 54.14 C ATOM 760 CG GLU A 49 1.558 -3.934 -9.104 1.00 45.24 C ATOM 761 CD GLU A 49 0.390 -4.397 -9.981 1.00 20.45 C ATOM 762 OE1 GLU A 49 -0.320 -5.354 -9.602 1.00 62.32 O ATOM 763 OE2 GLU A 49 0.157 -3.788 -11.046 1.00 44.31 O ATOM 0 H GLU A 49 2.745 -4.351 -6.726 1.00 44.33 H new ATOM 0 HA GLU A 49 2.954 -1.824 -7.852 1.00 74.33 H new ATOM 0 HB2 GLU A 49 0.415 -3.449 -7.351 1.00 54.14 H new ATOM 0 HB3 GLU A 49 0.564 -2.130 -8.495 1.00 54.14 H new ATOM 0 HG2 GLU A 49 2.318 -3.466 -9.730 1.00 45.24 H new ATOM 0 HG3 GLU A 49 2.022 -4.800 -8.633 1.00 45.24 H new ATOM 770 N TYR A 50 1.078 -1.912 -5.111 1.00 51.04 N ATOM 771 CA TYR A 50 0.401 -1.131 -4.073 1.00 34.35 C ATOM 772 C TYR A 50 1.384 -0.377 -3.167 1.00 20.11 C ATOM 773 O TYR A 50 1.040 0.693 -2.677 1.00 52.30 O ATOM 774 CB TYR A 50 -0.522 -2.039 -3.240 1.00 54.40 C ATOM 775 CG TYR A 50 -1.811 -2.433 -3.979 1.00 31.02 C ATOM 776 CD1 TYR A 50 -2.855 -1.513 -4.117 1.00 53.43 C ATOM 777 CD2 TYR A 50 -1.976 -3.693 -4.554 1.00 23.13 C ATOM 778 CE1 TYR A 50 -4.009 -1.843 -4.797 1.00 15.32 C ATOM 779 CE2 TYR A 50 -3.121 -4.023 -5.235 1.00 53.50 C ATOM 780 CZ TYR A 50 -4.136 -3.103 -5.354 1.00 4.11 C ATOM 781 OH TYR A 50 -5.278 -3.442 -6.037 1.00 40.12 O ATOM 0 H TYR A 50 1.029 -2.920 -4.960 1.00 51.04 H new ATOM 0 HA TYR A 50 -0.201 -0.376 -4.579 1.00 34.35 H new ATOM 0 HB2 TYR A 50 0.021 -2.943 -2.963 1.00 54.40 H new ATOM 0 HB3 TYR A 50 -0.784 -1.528 -2.313 1.00 54.40 H new ATOM 0 HD1 TYR A 50 -2.756 -0.528 -3.684 1.00 53.43 H new ATOM 0 HD2 TYR A 50 -1.186 -4.424 -4.461 1.00 23.13 H new ATOM 0 HE1 TYR A 50 -4.808 -1.123 -4.894 1.00 15.32 H new ATOM 0 HE2 TYR A 50 -3.225 -5.003 -5.676 1.00 53.50 H new ATOM 0 HH TYR A 50 -5.202 -4.363 -6.364 1.00 40.12 H new ATOM 791 N PHE A 51 2.584 -0.942 -2.930 1.00 11.30 N ATOM 792 CA PHE A 51 3.632 -0.270 -2.130 1.00 24.43 C ATOM 793 C PHE A 51 4.302 0.849 -2.953 1.00 32.50 C ATOM 794 O PHE A 51 4.761 1.836 -2.389 1.00 23.13 O ATOM 795 CB PHE A 51 4.722 -1.254 -1.652 1.00 2.42 C ATOM 796 CG PHE A 51 4.278 -2.401 -0.751 1.00 62.21 C ATOM 797 CD1 PHE A 51 3.308 -2.216 0.231 1.00 23.42 C ATOM 798 CD2 PHE A 51 4.860 -3.667 -0.879 1.00 54.31 C ATOM 799 CE1 PHE A 51 2.931 -3.257 1.051 1.00 51.35 C ATOM 800 CE2 PHE A 51 4.476 -4.706 -0.063 1.00 40.21 C ATOM 801 CZ PHE A 51 3.511 -4.503 0.900 1.00 30.24 C ATOM 0 H PHE A 51 2.854 -1.861 -3.280 1.00 11.30 H new ATOM 0 HA PHE A 51 3.137 0.149 -1.254 1.00 24.43 H new ATOM 0 HB2 PHE A 51 5.201 -1.682 -2.533 1.00 2.42 H new ATOM 0 HB3 PHE A 51 5.484 -0.683 -1.121 1.00 2.42 H new ATOM 0 HD1 PHE A 51 2.847 -1.247 0.351 1.00 23.42 H new ATOM 0 HD2 PHE A 51 5.621 -3.831 -1.628 1.00 54.31 H new ATOM 0 HE1 PHE A 51 2.182 -3.100 1.813 1.00 51.35 H new ATOM 0 HE2 PHE A 51 4.930 -5.679 -0.177 1.00 40.21 H new ATOM 0 HZ PHE A 51 3.207 -5.319 1.538 1.00 30.24 H new ATOM 811 N LEU A 52 4.355 0.668 -4.290 1.00 63.23 N ATOM 812 CA LEU A 52 4.937 1.675 -5.215 1.00 33.45 C ATOM 813 C LEU A 52 4.023 2.897 -5.249 1.00 70.22 C ATOM 814 O LEU A 52 4.479 4.047 -5.169 1.00 20.53 O ATOM 815 CB LEU A 52 5.107 1.110 -6.659 1.00 14.50 C ATOM 816 CG LEU A 52 6.267 0.092 -6.885 1.00 13.00 C ATOM 817 CD1 LEU A 52 6.211 -0.503 -8.307 1.00 1.41 C ATOM 818 CD2 LEU A 52 7.647 0.733 -6.609 1.00 43.32 C ATOM 0 H LEU A 52 4.002 -0.167 -4.758 1.00 63.23 H new ATOM 0 HA LEU A 52 5.928 1.944 -4.849 1.00 33.45 H new ATOM 0 HB2 LEU A 52 4.172 0.629 -6.948 1.00 14.50 H new ATOM 0 HB3 LEU A 52 5.256 1.950 -7.337 1.00 14.50 H new ATOM 0 HG LEU A 52 6.133 -0.721 -6.171 1.00 13.00 H new ATOM 0 HD11 LEU A 52 7.031 -1.209 -8.438 1.00 1.41 H new ATOM 0 HD12 LEU A 52 5.261 -1.019 -8.448 1.00 1.41 H new ATOM 0 HD13 LEU A 52 6.302 0.298 -9.040 1.00 1.41 H new ATOM 0 HD21 LEU A 52 8.431 -0.005 -6.777 1.00 43.32 H new ATOM 0 HD22 LEU A 52 7.796 1.579 -7.280 1.00 43.32 H new ATOM 0 HD23 LEU A 52 7.688 1.078 -5.576 1.00 43.32 H new ATOM 830 N ARG A 53 2.716 2.604 -5.366 1.00 61.30 N ATOM 831 CA ARG A 53 1.651 3.602 -5.332 1.00 5.24 C ATOM 832 C ARG A 53 1.641 4.333 -3.988 1.00 13.22 C ATOM 833 O ARG A 53 1.691 5.552 -3.966 1.00 42.44 O ATOM 834 CB ARG A 53 0.286 2.928 -5.592 1.00 23.32 C ATOM 835 CG ARG A 53 0.125 2.382 -7.023 1.00 62.22 C ATOM 836 CD ARG A 53 -1.250 1.768 -7.259 1.00 73.45 C ATOM 837 NE ARG A 53 -2.328 2.736 -6.979 1.00 54.13 N ATOM 838 CZ ARG A 53 -3.564 2.419 -6.580 1.00 32.22 C ATOM 839 NH1 ARG A 53 -3.917 1.143 -6.418 1.00 31.14 N ATOM 840 NH2 ARG A 53 -4.439 3.385 -6.336 1.00 44.11 N ATOM 0 H ARG A 53 2.373 1.651 -5.488 1.00 61.30 H new ATOM 0 HA ARG A 53 1.835 4.336 -6.117 1.00 5.24 H new ATOM 0 HB2 ARG A 53 0.155 2.110 -4.884 1.00 23.32 H new ATOM 0 HB3 ARG A 53 -0.508 3.649 -5.397 1.00 23.32 H new ATOM 0 HG2 ARG A 53 0.287 3.189 -7.737 1.00 62.22 H new ATOM 0 HG3 ARG A 53 0.892 1.631 -7.211 1.00 62.22 H new ATOM 0 HD2 ARG A 53 -1.325 1.426 -8.291 1.00 73.45 H new ATOM 0 HD3 ARG A 53 -1.372 0.891 -6.623 1.00 73.45 H new ATOM 0 HE ARG A 53 -2.113 3.726 -7.099 1.00 54.13 H new ATOM 0 HH11 ARG A 53 -3.242 0.400 -6.599 1.00 31.14 H new ATOM 0 HH12 ARG A 53 -4.862 0.910 -6.113 1.00 31.14 H new ATOM 0 HH21 ARG A 53 -4.167 4.361 -6.453 1.00 44.11 H new ATOM 0 HH22 ARG A 53 -5.384 3.152 -6.031 1.00 44.11 H new ATOM 854 N ALA A 54 1.641 3.548 -2.886 1.00 21.12 N ATOM 855 CA ALA A 54 1.605 4.055 -1.496 1.00 33.14 C ATOM 856 C ALA A 54 2.750 5.037 -1.250 1.00 11.51 C ATOM 857 O ALA A 54 2.527 6.145 -0.772 1.00 20.12 O ATOM 858 CB ALA A 54 1.678 2.885 -0.489 1.00 41.25 C ATOM 0 H ALA A 54 1.666 2.530 -2.939 1.00 21.12 H new ATOM 0 HA ALA A 54 0.661 4.581 -1.350 1.00 33.14 H new ATOM 0 HB1 ALA A 54 1.650 3.278 0.527 1.00 41.25 H new ATOM 0 HB2 ALA A 54 0.830 2.218 -0.644 1.00 41.25 H new ATOM 0 HB3 ALA A 54 2.606 2.333 -0.639 1.00 41.25 H new ATOM 864 N LYS A 55 3.964 4.619 -1.659 1.00 43.12 N ATOM 865 CA LYS A 55 5.200 5.400 -1.506 1.00 43.12 C ATOM 866 C LYS A 55 5.118 6.729 -2.273 1.00 52.45 C ATOM 867 O LYS A 55 5.520 7.770 -1.757 1.00 74.21 O ATOM 868 CB LYS A 55 6.418 4.582 -2.015 1.00 3.52 C ATOM 869 CG LYS A 55 7.761 5.323 -1.895 1.00 11.33 C ATOM 870 CD LYS A 55 8.956 4.502 -2.409 1.00 23.44 C ATOM 871 CE LYS A 55 10.278 5.268 -2.261 1.00 70.43 C ATOM 872 NZ LYS A 55 11.428 4.527 -2.830 1.00 22.11 N ATOM 0 H LYS A 55 4.112 3.717 -2.111 1.00 43.12 H new ATOM 0 HA LYS A 55 5.325 5.620 -0.446 1.00 43.12 H new ATOM 0 HB2 LYS A 55 6.477 3.650 -1.453 1.00 3.52 H new ATOM 0 HB3 LYS A 55 6.253 4.315 -3.059 1.00 3.52 H new ATOM 0 HG2 LYS A 55 7.704 6.257 -2.453 1.00 11.33 H new ATOM 0 HG3 LYS A 55 7.931 5.585 -0.851 1.00 11.33 H new ATOM 0 HD2 LYS A 55 9.016 3.563 -1.858 1.00 23.44 H new ATOM 0 HD3 LYS A 55 8.799 4.247 -3.457 1.00 23.44 H new ATOM 0 HE2 LYS A 55 10.192 6.235 -2.756 1.00 70.43 H new ATOM 0 HE3 LYS A 55 10.464 5.466 -1.205 1.00 70.43 H new ATOM 0 HZ1 LYS A 55 12.297 5.085 -2.706 1.00 22.11 H new ATOM 0 HZ2 LYS A 55 11.530 3.615 -2.341 1.00 22.11 H new ATOM 0 HZ3 LYS A 55 11.266 4.360 -3.844 1.00 22.11 H new ATOM 886 N LYS A 56 4.599 6.654 -3.510 1.00 14.11 N ATOM 887 CA LYS A 56 4.441 7.813 -4.403 1.00 13.21 C ATOM 888 C LYS A 56 3.450 8.832 -3.795 1.00 24.24 C ATOM 889 O LYS A 56 3.667 10.046 -3.883 1.00 32.43 O ATOM 890 CB LYS A 56 4.002 7.304 -5.818 1.00 2.45 C ATOM 891 CG LYS A 56 3.785 8.384 -6.926 1.00 44.13 C ATOM 892 CD LYS A 56 2.358 9.007 -6.939 1.00 64.33 C ATOM 893 CE LYS A 56 1.261 7.960 -7.177 1.00 55.23 C ATOM 894 NZ LYS A 56 -0.096 8.551 -7.131 1.00 54.11 N ATOM 0 H LYS A 56 4.275 5.779 -3.921 1.00 14.11 H new ATOM 0 HA LYS A 56 5.388 8.341 -4.516 1.00 13.21 H new ATOM 0 HB2 LYS A 56 4.755 6.601 -6.174 1.00 2.45 H new ATOM 0 HB3 LYS A 56 3.073 6.745 -5.704 1.00 2.45 H new ATOM 0 HG2 LYS A 56 4.516 9.181 -6.789 1.00 44.13 H new ATOM 0 HG3 LYS A 56 3.982 7.935 -7.899 1.00 44.13 H new ATOM 0 HD2 LYS A 56 2.176 9.510 -5.989 1.00 64.33 H new ATOM 0 HD3 LYS A 56 2.304 9.768 -7.718 1.00 64.33 H new ATOM 0 HE2 LYS A 56 1.417 7.487 -8.147 1.00 55.23 H new ATOM 0 HE3 LYS A 56 1.340 7.176 -6.424 1.00 55.23 H new ATOM 0 HZ1 LYS A 56 -0.804 7.808 -7.297 1.00 54.11 H new ATOM 0 HZ2 LYS A 56 -0.256 8.980 -6.197 1.00 54.11 H new ATOM 0 HZ3 LYS A 56 -0.182 9.281 -7.867 1.00 54.11 H new ATOM 908 N VAL A 57 2.374 8.324 -3.174 1.00 4.41 N ATOM 909 CA VAL A 57 1.349 9.164 -2.532 1.00 31.25 C ATOM 910 C VAL A 57 1.943 9.856 -1.281 1.00 41.21 C ATOM 911 O VAL A 57 1.735 11.051 -1.077 1.00 62.42 O ATOM 912 CB VAL A 57 0.054 8.337 -2.166 1.00 13.24 C ATOM 913 CG1 VAL A 57 -1.025 9.237 -1.529 1.00 43.12 C ATOM 914 CG2 VAL A 57 -0.524 7.621 -3.416 1.00 4.34 C ATOM 0 H VAL A 57 2.190 7.323 -3.102 1.00 4.41 H new ATOM 0 HA VAL A 57 1.042 9.929 -3.246 1.00 31.25 H new ATOM 0 HB VAL A 57 0.348 7.582 -1.437 1.00 13.24 H new ATOM 0 HG11 VAL A 57 -1.903 8.638 -1.289 1.00 43.12 H new ATOM 0 HG12 VAL A 57 -0.632 9.686 -0.617 1.00 43.12 H new ATOM 0 HG13 VAL A 57 -1.303 10.024 -2.230 1.00 43.12 H new ATOM 0 HG21 VAL A 57 -1.415 7.059 -3.134 1.00 4.34 H new ATOM 0 HG22 VAL A 57 -0.786 8.362 -4.171 1.00 4.34 H new ATOM 0 HG23 VAL A 57 0.222 6.938 -3.822 1.00 4.34 H new ATOM 924 N PHE A 58 2.730 9.094 -0.484 1.00 62.44 N ATOM 925 CA PHE A 58 3.453 9.615 0.703 1.00 2.22 C ATOM 926 C PHE A 58 4.523 10.655 0.295 1.00 5.31 C ATOM 927 O PHE A 58 4.770 11.615 1.027 1.00 2.23 O ATOM 928 CB PHE A 58 4.126 8.463 1.507 1.00 1.03 C ATOM 929 CG PHE A 58 3.179 7.596 2.343 1.00 45.22 C ATOM 930 CD1 PHE A 58 2.331 8.181 3.288 1.00 13.04 C ATOM 931 CD2 PHE A 58 3.168 6.204 2.224 1.00 44.23 C ATOM 932 CE1 PHE A 58 1.504 7.403 4.073 1.00 34.51 C ATOM 933 CE2 PHE A 58 2.348 5.430 3.016 1.00 15.54 C ATOM 934 CZ PHE A 58 1.516 6.029 3.940 1.00 70.04 C ATOM 0 H PHE A 58 2.882 8.098 -0.646 1.00 62.44 H new ATOM 0 HA PHE A 58 2.713 10.101 1.339 1.00 2.22 H new ATOM 0 HB2 PHE A 58 4.657 7.818 0.807 1.00 1.03 H new ATOM 0 HB3 PHE A 58 4.874 8.897 2.171 1.00 1.03 H new ATOM 0 HD1 PHE A 58 2.323 9.255 3.405 1.00 13.04 H new ATOM 0 HD2 PHE A 58 3.812 5.727 1.500 1.00 44.23 H new ATOM 0 HE1 PHE A 58 0.847 7.870 4.792 1.00 34.51 H new ATOM 0 HE2 PHE A 58 2.356 4.355 2.914 1.00 15.54 H new ATOM 0 HZ PHE A 58 0.873 5.422 4.560 1.00 70.04 H new ATOM 944 N ASP A 59 5.143 10.451 -0.880 1.00 13.21 N ATOM 945 CA ASP A 59 6.180 11.348 -1.427 1.00 72.41 C ATOM 946 C ASP A 59 5.558 12.696 -1.815 1.00 72.41 C ATOM 947 O ASP A 59 6.175 13.756 -1.641 1.00 21.24 O ATOM 948 CB ASP A 59 6.866 10.691 -2.651 1.00 23.12 C ATOM 949 CG ASP A 59 8.038 11.523 -3.204 1.00 12.02 C ATOM 950 OD1 ASP A 59 9.144 11.440 -2.639 1.00 41.23 O ATOM 951 OD2 ASP A 59 7.858 12.268 -4.198 1.00 74.52 O ATOM 0 H ASP A 59 4.938 9.654 -1.482 1.00 13.21 H new ATOM 0 HA ASP A 59 6.937 11.522 -0.662 1.00 72.41 H new ATOM 0 HB2 ASP A 59 7.230 9.703 -2.369 1.00 23.12 H new ATOM 0 HB3 ASP A 59 6.128 10.545 -3.439 1.00 23.12 H new ATOM 956 N ALA A 60 4.313 12.628 -2.322 1.00 11.41 N ATOM 957 CA ALA A 60 3.500 13.813 -2.650 1.00 15.52 C ATOM 958 C ALA A 60 3.139 14.598 -1.371 1.00 30.44 C ATOM 959 O ALA A 60 3.101 15.836 -1.372 1.00 64.30 O ATOM 960 CB ALA A 60 2.240 13.383 -3.414 1.00 3.21 C ATOM 0 H ALA A 60 3.841 11.745 -2.516 1.00 11.41 H new ATOM 0 HA ALA A 60 4.081 14.478 -3.289 1.00 15.52 H new ATOM 0 HB1 ALA A 60 1.642 14.262 -3.654 1.00 3.21 H new ATOM 0 HB2 ALA A 60 2.528 12.877 -4.336 1.00 3.21 H new ATOM 0 HB3 ALA A 60 1.654 12.704 -2.795 1.00 3.21 H new ATOM 966 N GLU A 61 2.914 13.845 -0.277 1.00 13.34 N ATOM 967 CA GLU A 61 2.646 14.402 1.066 1.00 31.05 C ATOM 968 C GLU A 61 3.933 14.932 1.724 1.00 3.13 C ATOM 969 O GLU A 61 3.869 15.580 2.769 1.00 2.02 O ATOM 970 CB GLU A 61 2.011 13.316 1.979 1.00 43.02 C ATOM 971 CG GLU A 61 0.705 12.716 1.436 1.00 23.32 C ATOM 972 CD GLU A 61 -0.424 13.748 1.310 1.00 34.13 C ATOM 973 OE1 GLU A 61 -1.153 13.948 2.295 1.00 73.30 O ATOM 974 OE2 GLU A 61 -0.587 14.370 0.233 1.00 71.31 O ATOM 0 H GLU A 61 2.913 12.825 -0.299 1.00 13.34 H new ATOM 0 HA GLU A 61 1.953 15.235 0.945 1.00 31.05 H new ATOM 0 HB2 GLU A 61 2.733 12.513 2.124 1.00 43.02 H new ATOM 0 HB3 GLU A 61 1.817 13.751 2.960 1.00 43.02 H new ATOM 0 HG2 GLU A 61 0.895 12.272 0.459 1.00 23.32 H new ATOM 0 HG3 GLU A 61 0.381 11.910 2.094 1.00 23.32 H new ATOM 981 N HIS A 62 5.094 14.604 1.114 1.00 1.23 N ATOM 982 CA HIS A 62 6.437 14.944 1.631 1.00 54.04 C ATOM 983 C HIS A 62 6.711 14.226 2.972 1.00 63.34 C ATOM 984 O HIS A 62 7.583 14.629 3.751 1.00 44.04 O ATOM 985 CB HIS A 62 6.627 16.485 1.724 1.00 34.31 C ATOM 986 CG HIS A 62 6.389 17.188 0.408 1.00 1.52 C ATOM 987 ND1 HIS A 62 5.405 18.128 0.217 1.00 53.31 N ATOM 988 CD2 HIS A 62 6.998 17.044 -0.792 1.00 42.54 C ATOM 989 CE1 HIS A 62 5.413 18.524 -1.040 1.00 32.44 C ATOM 990 NE2 HIS A 62 6.378 17.886 -1.671 1.00 62.12 N ATOM 0 H HIS A 62 5.124 14.088 0.235 1.00 1.23 H new ATOM 0 HA HIS A 62 7.183 14.581 0.923 1.00 54.04 H new ATOM 0 HB2 HIS A 62 5.944 16.886 2.473 1.00 34.31 H new ATOM 0 HB3 HIS A 62 7.639 16.701 2.068 1.00 34.31 H new ATOM 0 HD2 HIS A 62 7.823 16.384 -1.014 1.00 42.54 H new ATOM 0 HE1 HIS A 62 4.743 19.248 -1.478 1.00 32.44 H new ATOM 0 HE2 HIS A 62 6.622 18.002 -2.655 1.00 62.12 H new ATOM 999 N ASP A 63 5.963 13.130 3.201 1.00 5.51 N ATOM 1000 CA ASP A 63 6.149 12.236 4.342 1.00 32.51 C ATOM 1001 C ASP A 63 7.261 11.240 3.994 1.00 30.32 C ATOM 1002 O ASP A 63 7.040 10.269 3.252 1.00 15.21 O ATOM 1003 CB ASP A 63 4.819 11.508 4.687 1.00 15.31 C ATOM 1004 CG ASP A 63 4.943 10.419 5.782 1.00 73.14 C ATOM 1005 OD1 ASP A 63 5.781 10.544 6.709 1.00 12.51 O ATOM 1006 OD2 ASP A 63 4.171 9.444 5.733 1.00 2.41 O ATOM 0 H ASP A 63 5.203 12.843 2.584 1.00 5.51 H new ATOM 0 HA ASP A 63 6.438 12.805 5.226 1.00 32.51 H new ATOM 0 HB2 ASP A 63 4.089 12.249 5.012 1.00 15.31 H new ATOM 0 HB3 ASP A 63 4.426 11.049 3.780 1.00 15.31 H new ATOM 1011 N THR A 64 8.460 11.533 4.505 1.00 34.55 N ATOM 1012 CA THR A 64 9.655 10.726 4.260 1.00 63.44 C ATOM 1013 C THR A 64 9.525 9.323 4.886 1.00 52.44 C ATOM 1014 O THR A 64 9.870 8.331 4.244 1.00 42.30 O ATOM 1015 CB THR A 64 10.944 11.460 4.773 1.00 43.11 C ATOM 1016 OG1 THR A 64 12.106 10.640 4.583 1.00 30.21 O ATOM 1017 CG2 THR A 64 10.840 11.893 6.251 1.00 53.34 C ATOM 0 H THR A 64 8.628 12.342 5.103 1.00 34.55 H new ATOM 0 HA THR A 64 9.751 10.595 3.182 1.00 63.44 H new ATOM 0 HB THR A 64 11.038 12.368 4.177 1.00 43.11 H new ATOM 0 HG1 THR A 64 12.899 11.116 4.908 1.00 30.21 H new ATOM 0 HG21 THR A 64 11.761 12.395 6.549 1.00 53.34 H new ATOM 0 HG22 THR A 64 9.999 12.576 6.372 1.00 53.34 H new ATOM 0 HG23 THR A 64 10.687 11.014 6.878 1.00 53.34 H new ATOM 1025 N ASP A 65 8.968 9.260 6.111 1.00 73.13 N ATOM 1026 CA ASP A 65 8.862 8.014 6.901 1.00 30.12 C ATOM 1027 C ASP A 65 7.928 6.995 6.228 1.00 70.23 C ATOM 1028 O ASP A 65 8.248 5.804 6.172 1.00 5.14 O ATOM 1029 CB ASP A 65 8.359 8.328 8.331 1.00 73.25 C ATOM 1030 CG ASP A 65 8.157 7.068 9.190 1.00 4.13 C ATOM 1031 OD1 ASP A 65 9.164 6.487 9.649 1.00 63.21 O ATOM 1032 OD2 ASP A 65 6.995 6.648 9.407 1.00 33.43 O ATOM 0 H ASP A 65 8.577 10.075 6.584 1.00 73.13 H new ATOM 0 HA ASP A 65 9.857 7.572 6.957 1.00 30.12 H new ATOM 0 HB2 ASP A 65 9.074 8.986 8.825 1.00 73.25 H new ATOM 0 HB3 ASP A 65 7.416 8.872 8.267 1.00 73.25 H new ATOM 1037 N GLY A 66 6.769 7.480 5.743 1.00 35.11 N ATOM 1038 CA GLY A 66 5.783 6.630 5.074 1.00 11.12 C ATOM 1039 C GLY A 66 6.278 6.108 3.732 1.00 33.33 C ATOM 1040 O GLY A 66 5.988 4.964 3.355 1.00 23.44 O ATOM 0 H GLY A 66 6.498 8.461 5.806 1.00 35.11 H new ATOM 0 HA2 GLY A 66 5.537 5.787 5.720 1.00 11.12 H new ATOM 0 HA3 GLY A 66 4.863 7.195 4.923 1.00 11.12 H new ATOM 1044 N ALA A 67 7.021 6.963 3.009 1.00 5.30 N ATOM 1045 CA ALA A 67 7.665 6.592 1.745 1.00 54.11 C ATOM 1046 C ALA A 67 8.729 5.499 1.989 1.00 42.32 C ATOM 1047 O ALA A 67 8.877 4.575 1.189 1.00 13.15 O ATOM 1048 CB ALA A 67 8.288 7.834 1.089 1.00 32.43 C ATOM 0 H ALA A 67 7.190 7.930 3.287 1.00 5.30 H new ATOM 0 HA ALA A 67 6.915 6.187 1.066 1.00 54.11 H new ATOM 0 HB1 ALA A 67 8.764 7.550 0.151 1.00 32.43 H new ATOM 0 HB2 ALA A 67 7.509 8.571 0.892 1.00 32.43 H new ATOM 0 HB3 ALA A 67 9.033 8.264 1.758 1.00 32.43 H new ATOM 1054 N ARG A 68 9.443 5.620 3.131 1.00 24.04 N ATOM 1055 CA ARG A 68 10.443 4.630 3.584 1.00 24.43 C ATOM 1056 C ARG A 68 9.766 3.321 4.038 1.00 53.11 C ATOM 1057 O ARG A 68 10.350 2.251 3.898 1.00 54.43 O ATOM 1058 CB ARG A 68 11.283 5.205 4.754 1.00 23.25 C ATOM 1059 CG ARG A 68 12.245 6.343 4.359 1.00 1.53 C ATOM 1060 CD ARG A 68 12.866 7.031 5.587 1.00 20.03 C ATOM 1061 NE ARG A 68 13.574 6.077 6.461 1.00 3.11 N ATOM 1062 CZ ARG A 68 13.758 6.219 7.786 1.00 72.22 C ATOM 1063 NH1 ARG A 68 13.302 7.288 8.435 1.00 52.41 N ATOM 1064 NH2 ARG A 68 14.382 5.265 8.457 1.00 51.34 N ATOM 0 H ARG A 68 9.340 6.411 3.766 1.00 24.04 H new ATOM 0 HA ARG A 68 11.096 4.412 2.739 1.00 24.43 H new ATOM 0 HB2 ARG A 68 10.605 5.572 5.524 1.00 23.25 H new ATOM 0 HB3 ARG A 68 11.862 4.396 5.199 1.00 23.25 H new ATOM 0 HG2 ARG A 68 13.039 5.943 3.728 1.00 1.53 H new ATOM 0 HG3 ARG A 68 11.707 7.081 3.764 1.00 1.53 H new ATOM 0 HD2 ARG A 68 13.561 7.803 5.256 1.00 20.03 H new ATOM 0 HD3 ARG A 68 12.082 7.530 6.157 1.00 20.03 H new ATOM 0 HE ARG A 68 13.957 5.239 6.024 1.00 3.11 H new ATOM 0 HH11 ARG A 68 12.803 8.018 7.927 1.00 52.41 H new ATOM 0 HH12 ARG A 68 13.452 7.377 9.440 1.00 52.41 H new ATOM 0 HH21 ARG A 68 14.717 4.434 7.969 1.00 51.34 H new ATOM 0 HH22 ARG A 68 14.528 5.360 9.462 1.00 51.34 H new ATOM 1078 N ARG A 69 8.542 3.448 4.602 1.00 44.15 N ATOM 1079 CA ARG A 69 7.735 2.312 5.113 1.00 73.30 C ATOM 1080 C ARG A 69 7.374 1.376 3.948 1.00 32.02 C ATOM 1081 O ARG A 69 7.592 0.157 4.010 1.00 53.02 O ATOM 1082 CB ARG A 69 6.426 2.843 5.837 1.00 70.20 C ATOM 1083 CG ARG A 69 6.250 2.388 7.304 1.00 32.52 C ATOM 1084 CD ARG A 69 6.242 0.863 7.455 1.00 2.21 C ATOM 1085 NE ARG A 69 6.032 0.447 8.853 1.00 70.31 N ATOM 1086 CZ ARG A 69 5.878 -0.822 9.258 1.00 72.44 C ATOM 1087 NH1 ARG A 69 5.912 -1.818 8.383 1.00 72.12 N ATOM 1088 NH2 ARG A 69 5.685 -1.091 10.536 1.00 52.42 N ATOM 0 H ARG A 69 8.081 4.351 4.717 1.00 44.15 H new ATOM 0 HA ARG A 69 8.320 1.755 5.845 1.00 73.30 H new ATOM 0 HB2 ARG A 69 6.433 3.933 5.811 1.00 70.20 H new ATOM 0 HB3 ARG A 69 5.557 2.516 5.266 1.00 70.20 H new ATOM 0 HG2 ARG A 69 7.056 2.804 7.908 1.00 32.52 H new ATOM 0 HG3 ARG A 69 5.317 2.792 7.696 1.00 32.52 H new ATOM 0 HD2 ARG A 69 5.456 0.441 6.829 1.00 2.21 H new ATOM 0 HD3 ARG A 69 7.188 0.458 7.095 1.00 2.21 H new ATOM 0 HE ARG A 69 6.002 1.177 9.564 1.00 70.31 H new ATOM 0 HH11 ARG A 69 6.056 -1.622 7.392 1.00 72.12 H new ATOM 0 HH12 ARG A 69 5.794 -2.780 8.701 1.00 72.12 H new ATOM 0 HH21 ARG A 69 5.653 -0.333 11.218 1.00 52.42 H new ATOM 0 HH22 ARG A 69 5.568 -2.057 10.842 1.00 52.42 H new ATOM 1102 N ALA A 70 6.843 1.993 2.878 1.00 34.25 N ATOM 1103 CA ALA A 70 6.462 1.296 1.648 1.00 25.25 C ATOM 1104 C ALA A 70 7.703 0.746 0.926 1.00 75.22 C ATOM 1105 O ALA A 70 7.668 -0.369 0.415 1.00 52.51 O ATOM 1106 CB ALA A 70 5.648 2.233 0.741 1.00 32.53 C ATOM 0 H ALA A 70 6.667 2.997 2.847 1.00 34.25 H new ATOM 0 HA ALA A 70 5.832 0.444 1.905 1.00 25.25 H new ATOM 0 HB1 ALA A 70 5.370 1.705 -0.171 1.00 32.53 H new ATOM 0 HB2 ALA A 70 4.747 2.554 1.264 1.00 32.53 H new ATOM 0 HB3 ALA A 70 6.249 3.106 0.486 1.00 32.53 H new ATOM 1112 N ALA A 71 8.804 1.533 0.935 1.00 21.51 N ATOM 1113 CA ALA A 71 10.096 1.147 0.322 1.00 15.52 C ATOM 1114 C ALA A 71 10.760 -0.033 1.062 1.00 51.52 C ATOM 1115 O ALA A 71 11.490 -0.828 0.453 1.00 63.03 O ATOM 1116 CB ALA A 71 11.048 2.354 0.292 1.00 12.24 C ATOM 0 H ALA A 71 8.821 2.456 1.369 1.00 21.51 H new ATOM 0 HA ALA A 71 9.889 0.820 -0.697 1.00 15.52 H new ATOM 0 HB1 ALA A 71 11.995 2.059 -0.161 1.00 12.24 H new ATOM 0 HB2 ALA A 71 10.600 3.156 -0.294 1.00 12.24 H new ATOM 0 HB3 ALA A 71 11.225 2.703 1.309 1.00 12.24 H new ATOM 1122 N LYS A 72 10.505 -0.116 2.375 1.00 51.34 N ATOM 1123 CA LYS A 72 11.039 -1.173 3.249 1.00 53.03 C ATOM 1124 C LYS A 72 10.343 -2.506 2.941 1.00 53.22 C ATOM 1125 O LYS A 72 10.998 -3.537 2.745 1.00 11.03 O ATOM 1126 CB LYS A 72 10.820 -0.795 4.740 1.00 62.11 C ATOM 1127 CG LYS A 72 11.396 -1.808 5.755 1.00 33.12 C ATOM 1128 CD LYS A 72 12.944 -1.890 5.710 1.00 1.34 C ATOM 1129 CE LYS A 72 13.506 -2.954 6.659 1.00 24.11 C ATOM 1130 NZ LYS A 72 14.990 -2.925 6.694 1.00 23.33 N ATOM 0 H LYS A 72 9.916 0.556 2.867 1.00 51.34 H new ATOM 0 HA LYS A 72 12.108 -1.277 3.064 1.00 53.03 H new ATOM 0 HB2 LYS A 72 11.272 0.180 4.924 1.00 62.11 H new ATOM 0 HB3 LYS A 72 9.750 -0.689 4.920 1.00 62.11 H new ATOM 0 HG2 LYS A 72 11.081 -1.528 6.760 1.00 33.12 H new ATOM 0 HG3 LYS A 72 10.978 -2.795 5.554 1.00 33.12 H new ATOM 0 HD2 LYS A 72 13.263 -2.112 4.692 1.00 1.34 H new ATOM 0 HD3 LYS A 72 13.363 -0.918 5.971 1.00 1.34 H new ATOM 0 HE2 LYS A 72 13.114 -2.790 7.663 1.00 24.11 H new ATOM 0 HE3 LYS A 72 13.168 -3.941 6.342 1.00 24.11 H new ATOM 0 HZ1 LYS A 72 15.336 -3.658 7.346 1.00 23.33 H new ATOM 0 HZ2 LYS A 72 15.363 -3.106 5.740 1.00 23.33 H new ATOM 0 HZ3 LYS A 72 15.311 -1.991 7.020 1.00 23.33 H new ATOM 1144 N SER A 73 9.004 -2.443 2.889 1.00 72.05 N ATOM 1145 CA SER A 73 8.144 -3.589 2.588 1.00 35.24 C ATOM 1146 C SER A 73 8.372 -4.061 1.134 1.00 33.35 C ATOM 1147 O SER A 73 8.230 -5.251 0.833 1.00 61.11 O ATOM 1148 CB SER A 73 6.676 -3.197 2.837 1.00 14.25 C ATOM 1149 OG SER A 73 5.833 -4.329 2.868 1.00 43.13 O ATOM 0 H SER A 73 8.485 -1.581 3.058 1.00 72.05 H new ATOM 0 HA SER A 73 8.393 -4.424 3.242 1.00 35.24 H new ATOM 0 HB2 SER A 73 6.598 -2.659 3.782 1.00 14.25 H new ATOM 0 HB3 SER A 73 6.343 -2.516 2.054 1.00 14.25 H new ATOM 0 HG SER A 73 5.345 -4.396 2.021 1.00 43.13 H new ATOM 1155 N LEU A 74 8.742 -3.101 0.254 1.00 21.43 N ATOM 1156 CA LEU A 74 9.191 -3.373 -1.124 1.00 50.10 C ATOM 1157 C LEU A 74 10.496 -4.168 -1.124 1.00 10.13 C ATOM 1158 O LEU A 74 10.595 -5.148 -1.842 1.00 14.11 O ATOM 1159 CB LEU A 74 9.371 -2.048 -1.928 1.00 62.32 C ATOM 1160 CG LEU A 74 8.077 -1.499 -2.579 1.00 2.41 C ATOM 1161 CD1 LEU A 74 8.239 -0.062 -3.080 1.00 61.23 C ATOM 1162 CD2 LEU A 74 7.601 -2.426 -3.713 1.00 53.23 C ATOM 0 H LEU A 74 8.736 -2.108 0.487 1.00 21.43 H new ATOM 0 HA LEU A 74 8.419 -3.969 -1.611 1.00 50.10 H new ATOM 0 HB2 LEU A 74 9.775 -1.287 -1.260 1.00 62.32 H new ATOM 0 HB3 LEU A 74 10.112 -2.213 -2.710 1.00 62.32 H new ATOM 0 HG LEU A 74 7.313 -1.478 -1.802 1.00 2.41 H new ATOM 0 HD11 LEU A 74 7.304 0.275 -3.527 1.00 61.23 H new ATOM 0 HD12 LEU A 74 8.496 0.588 -2.244 1.00 61.23 H new ATOM 0 HD13 LEU A 74 9.033 -0.024 -3.826 1.00 61.23 H new ATOM 0 HD21 LEU A 74 6.691 -2.021 -4.156 1.00 53.23 H new ATOM 0 HD22 LEU A 74 8.376 -2.495 -4.476 1.00 53.23 H new ATOM 0 HD23 LEU A 74 7.398 -3.419 -3.311 1.00 53.23 H new ATOM 1174 N SER A 75 11.471 -3.742 -0.303 1.00 34.11 N ATOM 1175 CA SER A 75 12.802 -4.386 -0.214 1.00 72.13 C ATOM 1176 C SER A 75 12.667 -5.875 0.185 1.00 63.45 C ATOM 1177 O SER A 75 13.440 -6.728 -0.269 1.00 3.53 O ATOM 1178 CB SER A 75 13.680 -3.619 0.806 1.00 60.23 C ATOM 1179 OG SER A 75 15.003 -4.129 0.867 1.00 71.42 O ATOM 0 H SER A 75 11.363 -2.941 0.320 1.00 34.11 H new ATOM 0 HA SER A 75 13.281 -4.349 -1.193 1.00 72.13 H new ATOM 0 HB2 SER A 75 13.712 -2.564 0.534 1.00 60.23 H new ATOM 0 HB3 SER A 75 13.223 -3.680 1.794 1.00 60.23 H new ATOM 0 HG SER A 75 15.522 -3.615 1.521 1.00 71.42 H new ATOM 1185 N GLU A 76 11.641 -6.165 1.012 1.00 73.12 N ATOM 1186 CA GLU A 76 11.286 -7.531 1.429 1.00 63.23 C ATOM 1187 C GLU A 76 10.541 -8.270 0.297 1.00 3.24 C ATOM 1188 O GLU A 76 10.756 -9.467 0.079 1.00 65.53 O ATOM 1189 CB GLU A 76 10.421 -7.467 2.714 1.00 3.23 C ATOM 1190 CG GLU A 76 11.093 -6.723 3.885 1.00 42.33 C ATOM 1191 CD GLU A 76 10.167 -6.559 5.099 1.00 51.30 C ATOM 1192 OE1 GLU A 76 9.383 -5.588 5.139 1.00 22.11 O ATOM 1193 OE2 GLU A 76 10.208 -7.406 6.009 1.00 43.45 O ATOM 0 H GLU A 76 11.033 -5.450 1.410 1.00 73.12 H new ATOM 0 HA GLU A 76 12.197 -8.090 1.643 1.00 63.23 H new ATOM 0 HB2 GLU A 76 9.476 -6.977 2.480 1.00 3.23 H new ATOM 0 HB3 GLU A 76 10.183 -8.483 3.031 1.00 3.23 H new ATOM 0 HG2 GLU A 76 11.988 -7.266 4.188 1.00 42.33 H new ATOM 0 HG3 GLU A 76 11.417 -5.739 3.546 1.00 42.33 H new ATOM 1200 N ALA A 77 9.680 -7.528 -0.427 1.00 13.03 N ATOM 1201 CA ALA A 77 8.836 -8.074 -1.511 1.00 70.54 C ATOM 1202 C ALA A 77 9.682 -8.517 -2.727 1.00 51.44 C ATOM 1203 O ALA A 77 9.404 -9.555 -3.335 1.00 65.41 O ATOM 1204 CB ALA A 77 7.774 -7.041 -1.938 1.00 73.55 C ATOM 0 H ALA A 77 9.549 -6.528 -0.276 1.00 13.03 H new ATOM 0 HA ALA A 77 8.331 -8.959 -1.123 1.00 70.54 H new ATOM 0 HB1 ALA A 77 7.161 -7.458 -2.737 1.00 73.55 H new ATOM 0 HB2 ALA A 77 7.141 -6.796 -1.085 1.00 73.55 H new ATOM 0 HB3 ALA A 77 8.268 -6.137 -2.294 1.00 73.55 H new ATOM 1210 N TYR A 78 10.735 -7.739 -3.045 1.00 34.41 N ATOM 1211 CA TYR A 78 11.628 -8.017 -4.187 1.00 35.12 C ATOM 1212 C TYR A 78 12.455 -9.288 -3.945 1.00 31.40 C ATOM 1213 O TYR A 78 12.850 -9.935 -4.900 1.00 21.55 O ATOM 1214 CB TYR A 78 12.554 -6.805 -4.497 1.00 34.22 C ATOM 1215 CG TYR A 78 11.813 -5.610 -5.130 1.00 30.20 C ATOM 1216 CD1 TYR A 78 11.189 -5.735 -6.376 1.00 64.22 C ATOM 1217 CD2 TYR A 78 11.718 -4.378 -4.486 1.00 61.21 C ATOM 1218 CE1 TYR A 78 10.505 -4.679 -6.945 1.00 4.43 C ATOM 1219 CE2 TYR A 78 11.034 -3.328 -5.048 1.00 32.24 C ATOM 1220 CZ TYR A 78 10.429 -3.475 -6.273 1.00 10.01 C ATOM 1221 OH TYR A 78 9.737 -2.416 -6.819 1.00 22.21 O ATOM 0 H TYR A 78 10.990 -6.903 -2.519 1.00 34.41 H new ATOM 0 HA TYR A 78 10.997 -8.183 -5.060 1.00 35.12 H new ATOM 0 HB2 TYR A 78 13.032 -6.478 -3.574 1.00 34.22 H new ATOM 0 HB3 TYR A 78 13.348 -7.128 -5.170 1.00 34.22 H new ATOM 0 HD1 TYR A 78 11.243 -6.676 -6.903 1.00 64.22 H new ATOM 0 HD2 TYR A 78 12.192 -4.246 -3.525 1.00 61.21 H new ATOM 0 HE1 TYR A 78 10.033 -4.794 -7.909 1.00 4.43 H new ATOM 0 HE2 TYR A 78 10.971 -2.385 -4.526 1.00 32.24 H new ATOM 0 HH TYR A 78 9.784 -1.647 -6.213 1.00 22.21 H new ATOM 1231 N GLN A 79 12.692 -9.636 -2.661 1.00 23.34 N ATOM 1232 CA GLN A 79 13.362 -10.900 -2.274 1.00 72.43 C ATOM 1233 C GLN A 79 12.536 -12.112 -2.741 1.00 3.20 C ATOM 1234 O GLN A 79 13.071 -13.065 -3.304 1.00 23.51 O ATOM 1235 CB GLN A 79 13.540 -10.978 -0.732 1.00 73.43 C ATOM 1236 CG GLN A 79 14.408 -9.862 -0.127 1.00 53.04 C ATOM 1237 CD GLN A 79 14.419 -9.861 1.406 1.00 24.53 C ATOM 1238 OE1 GLN A 79 14.269 -10.905 2.049 1.00 35.31 O ATOM 1239 NE2 GLN A 79 14.593 -8.689 2.001 1.00 34.14 N ATOM 0 H GLN A 79 12.427 -9.053 -1.867 1.00 23.34 H new ATOM 0 HA GLN A 79 14.341 -10.917 -2.753 1.00 72.43 H new ATOM 0 HB2 GLN A 79 12.556 -10.948 -0.265 1.00 73.43 H new ATOM 0 HB3 GLN A 79 13.983 -11.941 -0.480 1.00 73.43 H new ATOM 0 HG2 GLN A 79 15.430 -9.970 -0.490 1.00 53.04 H new ATOM 0 HG3 GLN A 79 14.044 -8.897 -0.481 1.00 53.04 H new ATOM 0 HE21 GLN A 79 14.714 -7.845 1.440 1.00 34.14 H new ATOM 0 HE22 GLN A 79 14.606 -8.631 3.019 1.00 34.14 H new ATOM 1248 N LYS A 80 11.217 -12.021 -2.513 1.00 13.32 N ATOM 1249 CA LYS A 80 10.260 -13.115 -2.767 1.00 12.24 C ATOM 1250 C LYS A 80 10.096 -13.356 -4.283 1.00 70.52 C ATOM 1251 O LYS A 80 9.989 -14.500 -4.738 1.00 54.12 O ATOM 1252 CB LYS A 80 8.896 -12.758 -2.122 1.00 14.23 C ATOM 1253 CG LYS A 80 9.006 -12.280 -0.652 1.00 43.21 C ATOM 1254 CD LYS A 80 7.683 -11.702 -0.100 1.00 31.31 C ATOM 1255 CE LYS A 80 7.856 -10.978 1.248 1.00 50.15 C ATOM 1256 NZ LYS A 80 8.266 -11.900 2.339 1.00 60.51 N ATOM 0 H LYS A 80 10.778 -11.178 -2.143 1.00 13.32 H new ATOM 0 HA LYS A 80 10.640 -14.035 -2.323 1.00 12.24 H new ATOM 0 HB2 LYS A 80 8.418 -11.977 -2.714 1.00 14.23 H new ATOM 0 HB3 LYS A 80 8.246 -13.632 -2.163 1.00 14.23 H new ATOM 0 HG2 LYS A 80 9.318 -13.117 -0.027 1.00 43.21 H new ATOM 0 HG3 LYS A 80 9.785 -11.521 -0.581 1.00 43.21 H new ATOM 0 HD2 LYS A 80 7.265 -11.007 -0.828 1.00 31.31 H new ATOM 0 HD3 LYS A 80 6.962 -12.511 0.019 1.00 31.31 H new ATOM 0 HE2 LYS A 80 8.603 -10.191 1.141 1.00 50.15 H new ATOM 0 HE3 LYS A 80 6.918 -10.493 1.519 1.00 50.15 H new ATOM 0 HZ1 LYS A 80 8.369 -11.365 3.225 1.00 60.51 H new ATOM 0 HZ2 LYS A 80 7.542 -12.637 2.461 1.00 60.51 H new ATOM 0 HZ3 LYS A 80 9.174 -12.344 2.095 1.00 60.51 H new ATOM 1270 N VAL A 81 10.086 -12.247 -5.036 1.00 12.34 N ATOM 1271 CA VAL A 81 9.979 -12.245 -6.506 1.00 22.44 C ATOM 1272 C VAL A 81 11.275 -12.772 -7.155 1.00 44.12 C ATOM 1273 O VAL A 81 11.230 -13.599 -8.070 1.00 52.32 O ATOM 1274 CB VAL A 81 9.651 -10.786 -7.018 1.00 32.41 C ATOM 1275 CG1 VAL A 81 9.713 -10.672 -8.565 1.00 1.30 C ATOM 1276 CG2 VAL A 81 8.270 -10.337 -6.481 1.00 14.34 C ATOM 0 H VAL A 81 10.153 -11.311 -4.637 1.00 12.34 H new ATOM 0 HA VAL A 81 9.168 -12.912 -6.797 1.00 22.44 H new ATOM 0 HB VAL A 81 10.420 -10.118 -6.629 1.00 32.41 H new ATOM 0 HG11 VAL A 81 9.480 -9.650 -8.864 1.00 1.30 H new ATOM 0 HG12 VAL A 81 10.714 -10.931 -8.909 1.00 1.30 H new ATOM 0 HG13 VAL A 81 8.989 -11.354 -9.009 1.00 1.30 H new ATOM 0 HG21 VAL A 81 8.051 -9.331 -6.838 1.00 14.34 H new ATOM 0 HG22 VAL A 81 7.501 -11.023 -6.835 1.00 14.34 H new ATOM 0 HG23 VAL A 81 8.285 -10.340 -5.391 1.00 14.34 H new ATOM 1286 N GLU A 82 12.414 -12.284 -6.648 1.00 32.13 N ATOM 1287 CA GLU A 82 13.753 -12.575 -7.191 1.00 14.40 C ATOM 1288 C GLU A 82 14.153 -14.043 -6.948 1.00 64.43 C ATOM 1289 O GLU A 82 14.754 -14.682 -7.817 1.00 60.12 O ATOM 1290 CB GLU A 82 14.782 -11.628 -6.526 1.00 22.33 C ATOM 1291 CG GLU A 82 16.237 -11.770 -7.003 1.00 43.51 C ATOM 1292 CD GLU A 82 17.210 -10.911 -6.181 1.00 11.32 C ATOM 1293 OE1 GLU A 82 17.538 -11.303 -5.038 1.00 34.24 O ATOM 1294 OE2 GLU A 82 17.638 -9.839 -6.659 1.00 62.01 O ATOM 0 H GLU A 82 12.435 -11.666 -5.837 1.00 32.13 H new ATOM 0 HA GLU A 82 13.735 -12.413 -8.269 1.00 14.40 H new ATOM 0 HB2 GLU A 82 14.463 -10.600 -6.697 1.00 22.33 H new ATOM 0 HB3 GLU A 82 14.756 -11.794 -5.449 1.00 22.33 H new ATOM 0 HG2 GLU A 82 16.537 -12.816 -6.939 1.00 43.51 H new ATOM 0 HG3 GLU A 82 16.302 -11.484 -8.053 1.00 43.51 H new ATOM 1301 N GLY A 83 13.798 -14.566 -5.765 1.00 3.51 N ATOM 1302 CA GLY A 83 14.229 -15.891 -5.324 1.00 51.14 C ATOM 1303 C GLY A 83 15.212 -15.793 -4.166 1.00 43.21 C ATOM 1304 O GLY A 83 15.200 -14.791 -3.438 1.00 74.01 O ATOM 0 H GLY A 83 13.205 -14.080 -5.092 1.00 3.51 H new ATOM 0 HA2 GLY A 83 13.361 -16.476 -5.019 1.00 51.14 H new ATOM 0 HA3 GLY A 83 14.694 -16.420 -6.156 1.00 51.14 H new ATOM 1308 N SER A 84 16.073 -16.825 -4.016 1.00 44.42 N ATOM 1309 CA SER A 84 17.009 -16.977 -2.877 1.00 34.22 C ATOM 1310 C SER A 84 16.209 -17.201 -1.573 1.00 41.04 C ATOM 1311 O SER A 84 15.731 -16.249 -0.944 1.00 63.00 O ATOM 1312 CB SER A 84 17.995 -15.778 -2.761 1.00 23.32 C ATOM 1313 OG SER A 84 18.895 -15.935 -1.677 1.00 71.34 O ATOM 0 H SER A 84 16.139 -17.586 -4.692 1.00 44.42 H new ATOM 0 HA SER A 84 17.630 -17.854 -3.057 1.00 34.22 H new ATOM 0 HB2 SER A 84 18.558 -15.681 -3.689 1.00 23.32 H new ATOM 0 HB3 SER A 84 17.430 -14.855 -2.633 1.00 23.32 H new ATOM 0 HG SER A 84 19.498 -15.164 -1.638 1.00 71.34 H new ATOM 1319 N GLY A 85 16.047 -18.482 -1.205 1.00 11.44 N ATOM 1320 CA GLY A 85 15.129 -18.895 -0.130 1.00 64.41 C ATOM 1321 C GLY A 85 13.772 -19.326 -0.686 1.00 12.10 C ATOM 1322 O GLY A 85 12.856 -19.665 0.079 1.00 24.23 O ATOM 0 H GLY A 85 16.546 -19.257 -1.641 1.00 11.44 H new ATOM 0 HA2 GLY A 85 15.571 -19.718 0.431 1.00 64.41 H new ATOM 0 HA3 GLY A 85 14.991 -18.070 0.569 1.00 64.41 H new ATOM 1326 N ASP A 86 13.660 -19.313 -2.031 1.00 5.42 N ATOM 1327 CA ASP A 86 12.448 -19.711 -2.760 1.00 22.42 C ATOM 1328 C ASP A 86 12.230 -21.235 -2.668 1.00 14.03 C ATOM 1329 O ASP A 86 13.193 -22.018 -2.656 1.00 64.02 O ATOM 1330 CB ASP A 86 12.552 -19.272 -4.249 1.00 34.23 C ATOM 1331 CG ASP A 86 13.748 -19.913 -4.987 1.00 30.14 C ATOM 1332 OD1 ASP A 86 14.893 -19.454 -4.774 1.00 22.11 O ATOM 1333 OD2 ASP A 86 13.559 -20.891 -5.747 1.00 10.44 O ATOM 0 H ASP A 86 14.421 -19.021 -2.644 1.00 5.42 H new ATOM 0 HA ASP A 86 11.592 -19.215 -2.302 1.00 22.42 H new ATOM 0 HB2 ASP A 86 11.629 -19.538 -4.765 1.00 34.23 H new ATOM 0 HB3 ASP A 86 12.643 -18.187 -4.296 1.00 34.23 H new ATOM 1338 N LYS A 87 10.951 -21.625 -2.603 1.00 32.23 N ATOM 1339 CA LYS A 87 10.511 -23.020 -2.445 1.00 10.13 C ATOM 1340 C LYS A 87 9.014 -23.106 -2.798 1.00 42.55 C ATOM 1341 O LYS A 87 8.172 -22.485 -2.136 1.00 63.23 O ATOM 1342 CB LYS A 87 10.819 -23.534 -1.000 1.00 51.43 C ATOM 1343 CG LYS A 87 10.493 -22.536 0.140 1.00 63.54 C ATOM 1344 CD LYS A 87 10.918 -23.061 1.530 1.00 4.24 C ATOM 1345 CE LYS A 87 10.744 -22.012 2.642 1.00 61.02 C ATOM 1346 NZ LYS A 87 11.582 -20.801 2.402 1.00 61.14 N ATOM 0 H LYS A 87 10.175 -20.966 -2.660 1.00 32.23 H new ATOM 0 HA LYS A 87 11.061 -23.672 -3.124 1.00 10.13 H new ATOM 0 HB2 LYS A 87 10.255 -24.451 -0.830 1.00 51.43 H new ATOM 0 HB3 LYS A 87 11.876 -23.794 -0.942 1.00 51.43 H new ATOM 0 HG2 LYS A 87 10.996 -21.589 -0.056 1.00 63.54 H new ATOM 0 HG3 LYS A 87 9.422 -22.333 0.145 1.00 63.54 H new ATOM 0 HD2 LYS A 87 10.329 -23.945 1.775 1.00 4.24 H new ATOM 0 HD3 LYS A 87 11.961 -23.374 1.492 1.00 4.24 H new ATOM 0 HE2 LYS A 87 9.695 -21.721 2.705 1.00 61.02 H new ATOM 0 HE3 LYS A 87 11.011 -22.453 3.602 1.00 61.02 H new ATOM 0 HZ1 LYS A 87 12.196 -20.635 3.225 1.00 61.14 H new ATOM 0 HZ2 LYS A 87 12.169 -20.947 1.556 1.00 61.14 H new ATOM 0 HZ3 LYS A 87 10.966 -19.976 2.258 1.00 61.14 H new ATOM 1360 N GLY A 88 8.697 -23.862 -3.864 1.00 53.42 N ATOM 1361 CA GLY A 88 7.352 -23.896 -4.437 1.00 14.21 C ATOM 1362 C GLY A 88 6.447 -24.958 -3.817 1.00 51.34 C ATOM 1363 O GLY A 88 5.984 -25.863 -4.517 1.00 75.10 O ATOM 0 H GLY A 88 9.367 -24.462 -4.346 1.00 53.42 H new ATOM 0 HA2 GLY A 88 6.888 -22.918 -4.311 1.00 14.21 H new ATOM 0 HA3 GLY A 88 7.428 -24.077 -5.509 1.00 14.21 H new ATOM 1367 N LYS A 89 6.228 -24.876 -2.487 1.00 44.42 N ATOM 1368 CA LYS A 89 5.154 -25.630 -1.810 1.00 25.14 C ATOM 1369 C LYS A 89 4.027 -24.646 -1.487 1.00 72.34 C ATOM 1370 O LYS A 89 4.154 -23.797 -0.599 1.00 40.43 O ATOM 1371 CB LYS A 89 5.628 -26.380 -0.527 1.00 41.42 C ATOM 1372 CG LYS A 89 6.444 -27.677 -0.805 1.00 40.34 C ATOM 1373 CD LYS A 89 7.937 -27.426 -1.166 1.00 31.43 C ATOM 1374 CE LYS A 89 8.845 -27.303 0.073 1.00 31.24 C ATOM 1375 NZ LYS A 89 8.467 -26.189 0.990 1.00 55.35 N ATOM 0 H LYS A 89 6.783 -24.293 -1.861 1.00 44.42 H new ATOM 0 HA LYS A 89 4.809 -26.416 -2.482 1.00 25.14 H new ATOM 0 HB2 LYS A 89 6.238 -25.703 0.071 1.00 41.42 H new ATOM 0 HB3 LYS A 89 4.755 -26.636 0.073 1.00 41.42 H new ATOM 0 HG2 LYS A 89 6.397 -28.318 0.075 1.00 40.34 H new ATOM 0 HG3 LYS A 89 5.971 -28.222 -1.622 1.00 40.34 H new ATOM 0 HD2 LYS A 89 8.296 -28.243 -1.792 1.00 31.43 H new ATOM 0 HD3 LYS A 89 8.013 -26.514 -1.757 1.00 31.43 H new ATOM 0 HE2 LYS A 89 8.817 -28.242 0.626 1.00 31.24 H new ATOM 0 HE3 LYS A 89 9.874 -27.157 -0.256 1.00 31.24 H new ATOM 0 HZ1 LYS A 89 9.248 -26.003 1.651 1.00 55.35 H new ATOM 0 HZ2 LYS A 89 8.272 -25.332 0.434 1.00 55.35 H new ATOM 0 HZ3 LYS A 89 7.616 -26.454 1.526 1.00 55.35 H new ATOM 1389 N ILE A 90 2.933 -24.777 -2.237 1.00 2.33 N ATOM 1390 CA ILE A 90 1.742 -23.909 -2.142 1.00 33.25 C ATOM 1391 C ILE A 90 0.728 -24.442 -1.103 1.00 70.24 C ATOM 1392 O ILE A 90 -0.475 -24.179 -1.210 1.00 14.43 O ATOM 1393 CB ILE A 90 1.069 -23.779 -3.567 1.00 51.13 C ATOM 1394 CG1 ILE A 90 0.711 -25.193 -4.154 1.00 75.43 C ATOM 1395 CG2 ILE A 90 1.984 -22.983 -4.532 1.00 55.33 C ATOM 1396 CD1 ILE A 90 0.155 -25.191 -5.569 1.00 22.11 C ATOM 0 H ILE A 90 2.840 -25.504 -2.946 1.00 2.33 H new ATOM 0 HA ILE A 90 2.060 -22.924 -1.802 1.00 33.25 H new ATOM 0 HB ILE A 90 0.137 -23.226 -3.455 1.00 51.13 H new ATOM 0 HG12 ILE A 90 1.607 -25.813 -4.135 1.00 75.43 H new ATOM 0 HG13 ILE A 90 -0.018 -25.667 -3.496 1.00 75.43 H new ATOM 0 HG21 ILE A 90 1.503 -22.904 -5.507 1.00 55.33 H new ATOM 0 HG22 ILE A 90 2.155 -21.984 -4.130 1.00 55.33 H new ATOM 0 HG23 ILE A 90 2.938 -23.500 -4.638 1.00 55.33 H new ATOM 0 HD11 ILE A 90 -0.058 -26.214 -5.878 1.00 22.11 H new ATOM 0 HD12 ILE A 90 -0.763 -24.604 -5.598 1.00 22.11 H new ATOM 0 HD13 ILE A 90 0.887 -24.753 -6.247 1.00 22.11 H new ATOM 1408 N PHE A 91 1.253 -25.128 -0.062 1.00 31.13 N ATOM 1409 CA PHE A 91 0.448 -25.721 1.025 1.00 61.14 C ATOM 1410 C PHE A 91 -0.463 -24.661 1.689 1.00 52.23 C ATOM 1411 O PHE A 91 -1.623 -24.941 1.995 1.00 50.12 O ATOM 1412 CB PHE A 91 1.381 -26.379 2.081 1.00 30.22 C ATOM 1413 CG PHE A 91 0.614 -27.046 3.234 1.00 3.35 C ATOM 1414 CD1 PHE A 91 -0.037 -28.264 3.034 1.00 24.20 C ATOM 1415 CD2 PHE A 91 0.513 -26.444 4.494 1.00 65.44 C ATOM 1416 CE1 PHE A 91 -0.757 -28.857 4.048 1.00 1.35 C ATOM 1417 CE2 PHE A 91 -0.205 -27.043 5.510 1.00 12.33 C ATOM 1418 CZ PHE A 91 -0.844 -28.248 5.285 1.00 51.13 C ATOM 0 H PHE A 91 2.255 -25.285 0.046 1.00 31.13 H new ATOM 0 HA PHE A 91 -0.195 -26.488 0.595 1.00 61.14 H new ATOM 0 HB2 PHE A 91 2.006 -27.125 1.590 1.00 30.22 H new ATOM 0 HB3 PHE A 91 2.050 -25.621 2.489 1.00 30.22 H new ATOM 0 HD1 PHE A 91 0.024 -28.749 2.071 1.00 24.20 H new ATOM 0 HD2 PHE A 91 1.003 -25.499 4.674 1.00 65.44 H new ATOM 0 HE1 PHE A 91 -1.254 -29.800 3.875 1.00 1.35 H new ATOM 0 HE2 PHE A 91 -0.267 -26.571 6.479 1.00 12.33 H new ATOM 0 HZ PHE A 91 -1.412 -28.714 6.077 1.00 51.13 H new ATOM 1428 N GLN A 92 0.083 -23.444 1.891 1.00 75.43 N ATOM 1429 CA GLN A 92 -0.666 -22.305 2.433 1.00 25.04 C ATOM 1430 C GLN A 92 -1.525 -21.663 1.338 1.00 63.20 C ATOM 1431 O GLN A 92 -1.028 -20.879 0.525 1.00 2.34 O ATOM 1432 CB GLN A 92 0.291 -21.257 3.069 1.00 43.54 C ATOM 1433 CG GLN A 92 0.980 -21.728 4.364 1.00 73.32 C ATOM 1434 CD GLN A 92 1.905 -20.662 4.953 1.00 63.24 C ATOM 1435 OE1 GLN A 92 3.088 -20.613 4.636 1.00 4.22 O ATOM 1436 NE2 GLN A 92 1.364 -19.777 5.779 1.00 62.45 N ATOM 0 H GLN A 92 1.058 -23.229 1.681 1.00 75.43 H new ATOM 0 HA GLN A 92 -1.325 -22.674 3.219 1.00 25.04 H new ATOM 0 HB2 GLN A 92 1.057 -20.993 2.340 1.00 43.54 H new ATOM 0 HB3 GLN A 92 -0.274 -20.349 3.282 1.00 43.54 H new ATOM 0 HG2 GLN A 92 0.221 -21.994 5.100 1.00 73.32 H new ATOM 0 HG3 GLN A 92 1.555 -22.631 4.159 1.00 73.32 H new ATOM 0 HE21 GLN A 92 0.376 -19.845 6.023 1.00 62.45 H new ATOM 0 HE22 GLN A 92 1.936 -19.028 6.170 1.00 62.45 H new ATOM 1445 N LYS A 93 -2.801 -22.078 1.283 1.00 11.21 N ATOM 1446 CA LYS A 93 -3.844 -21.356 0.547 1.00 3.55 C ATOM 1447 C LYS A 93 -4.807 -20.755 1.570 1.00 74.14 C ATOM 1448 O LYS A 93 -5.768 -21.407 2.007 1.00 35.13 O ATOM 1449 CB LYS A 93 -4.598 -22.270 -0.462 1.00 63.13 C ATOM 1450 CG LYS A 93 -5.713 -21.538 -1.272 1.00 64.53 C ATOM 1451 CD LYS A 93 -6.512 -22.477 -2.208 1.00 55.14 C ATOM 1452 CE LYS A 93 -5.644 -23.084 -3.320 1.00 73.14 C ATOM 1453 NZ LYS A 93 -6.418 -23.988 -4.208 1.00 71.33 N ATOM 0 H LYS A 93 -3.135 -22.922 1.748 1.00 11.21 H new ATOM 0 HA LYS A 93 -3.382 -20.571 -0.051 1.00 3.55 H new ATOM 0 HB2 LYS A 93 -3.877 -22.696 -1.160 1.00 63.13 H new ATOM 0 HB3 LYS A 93 -5.045 -23.102 0.082 1.00 63.13 H new ATOM 0 HG2 LYS A 93 -6.402 -21.059 -0.576 1.00 64.53 H new ATOM 0 HG3 LYS A 93 -5.259 -20.746 -1.867 1.00 64.53 H new ATOM 0 HD2 LYS A 93 -6.954 -23.280 -1.619 1.00 55.14 H new ATOM 0 HD3 LYS A 93 -7.335 -21.921 -2.658 1.00 55.14 H new ATOM 0 HE2 LYS A 93 -5.206 -22.282 -3.914 1.00 73.14 H new ATOM 0 HE3 LYS A 93 -4.818 -23.637 -2.872 1.00 73.14 H new ATOM 0 HZ1 LYS A 93 -5.791 -24.374 -4.943 1.00 71.33 H new ATOM 0 HZ2 LYS A 93 -6.815 -24.769 -3.647 1.00 71.33 H new ATOM 0 HZ3 LYS A 93 -7.191 -23.456 -4.657 1.00 71.33 H new ATOM 1467 N GLU A 94 -4.492 -19.535 2.018 1.00 41.15 N ATOM 1468 CA GLU A 94 -5.373 -18.776 2.903 1.00 44.41 C ATOM 1469 C GLU A 94 -6.342 -17.976 2.019 1.00 30.15 C ATOM 1470 O GLU A 94 -6.059 -16.840 1.621 1.00 44.52 O ATOM 1471 CB GLU A 94 -4.550 -17.861 3.846 1.00 23.21 C ATOM 1472 CG GLU A 94 -5.351 -17.299 5.037 1.00 52.34 C ATOM 1473 CD GLU A 94 -4.486 -16.512 6.036 1.00 25.41 C ATOM 1474 OE1 GLU A 94 -3.554 -17.106 6.621 1.00 61.44 O ATOM 1475 OE2 GLU A 94 -4.736 -15.309 6.254 1.00 62.03 O ATOM 0 H GLU A 94 -3.626 -19.052 1.778 1.00 41.15 H new ATOM 0 HA GLU A 94 -5.941 -19.444 3.550 1.00 44.41 H new ATOM 0 HB2 GLU A 94 -3.698 -18.424 4.228 1.00 23.21 H new ATOM 0 HB3 GLU A 94 -4.148 -17.029 3.268 1.00 23.21 H new ATOM 0 HG2 GLU A 94 -6.141 -16.649 4.660 1.00 52.34 H new ATOM 0 HG3 GLU A 94 -5.838 -18.123 5.559 1.00 52.34 H new ATOM 1482 N GLY A 95 -7.427 -18.657 1.621 1.00 23.04 N ATOM 1483 CA GLY A 95 -8.454 -18.090 0.759 1.00 12.23 C ATOM 1484 C GLY A 95 -9.372 -19.179 0.221 1.00 34.44 C ATOM 1485 O GLY A 95 -9.043 -19.831 -0.773 1.00 23.25 O ATOM 0 H GLY A 95 -7.610 -19.622 1.895 1.00 23.04 H new ATOM 0 HA2 GLY A 95 -9.039 -17.358 1.316 1.00 12.23 H new ATOM 0 HA3 GLY A 95 -7.986 -17.560 -0.071 1.00 12.23 H new ATOM 1489 N GLU A 96 -10.498 -19.416 0.925 1.00 62.24 N ATOM 1490 CA GLU A 96 -11.557 -20.347 0.476 1.00 65.10 C ATOM 1491 C GLU A 96 -12.224 -19.800 -0.799 1.00 44.41 C ATOM 1492 O GLU A 96 -12.338 -18.574 -0.970 1.00 62.15 O ATOM 1493 CB GLU A 96 -12.606 -20.547 1.602 1.00 63.22 C ATOM 1494 CG GLU A 96 -12.030 -21.146 2.904 1.00 53.02 C ATOM 1495 CD GLU A 96 -13.087 -21.345 3.999 1.00 43.45 C ATOM 1496 OE1 GLU A 96 -13.493 -20.346 4.635 1.00 11.31 O ATOM 1497 OE2 GLU A 96 -13.536 -22.488 4.220 1.00 14.24 O ATOM 0 H GLU A 96 -10.700 -18.969 1.819 1.00 62.24 H new ATOM 0 HA GLU A 96 -11.111 -21.315 0.249 1.00 65.10 H new ATOM 0 HB2 GLU A 96 -13.066 -19.585 1.830 1.00 63.22 H new ATOM 0 HB3 GLU A 96 -13.398 -21.200 1.234 1.00 63.22 H new ATOM 0 HG2 GLU A 96 -11.564 -22.105 2.680 1.00 53.02 H new ATOM 0 HG3 GLU A 96 -11.245 -20.491 3.281 1.00 53.02 H new ATOM 1504 N SER A 97 -12.623 -20.714 -1.695 1.00 15.40 N ATOM 1505 CA SER A 97 -13.257 -20.362 -2.971 1.00 50.53 C ATOM 1506 C SER A 97 -14.730 -19.973 -2.740 1.00 14.21 C ATOM 1507 O SER A 97 -15.646 -20.780 -2.943 1.00 24.44 O ATOM 1508 CB SER A 97 -13.136 -21.535 -3.969 1.00 24.41 C ATOM 1509 OG SER A 97 -11.791 -21.924 -4.157 1.00 51.30 O ATOM 0 H SER A 97 -12.515 -21.718 -1.554 1.00 15.40 H new ATOM 0 HA SER A 97 -12.744 -19.502 -3.401 1.00 50.53 H new ATOM 0 HB2 SER A 97 -13.713 -22.385 -3.604 1.00 24.41 H new ATOM 0 HB3 SER A 97 -13.568 -21.244 -4.927 1.00 24.41 H new ATOM 0 HG SER A 97 -11.752 -22.669 -4.793 1.00 51.30 H new ATOM 1515 N ILE A 98 -14.927 -18.743 -2.231 1.00 44.10 N ATOM 1516 CA ILE A 98 -16.243 -18.147 -1.975 1.00 4.10 C ATOM 1517 C ILE A 98 -16.364 -16.843 -2.783 1.00 1.22 C ATOM 1518 O ILE A 98 -15.551 -15.920 -2.658 1.00 71.34 O ATOM 1519 CB ILE A 98 -16.517 -17.951 -0.415 1.00 13.21 C ATOM 1520 CG1 ILE A 98 -15.299 -17.307 0.381 1.00 43.22 C ATOM 1521 CG2 ILE A 98 -16.912 -19.310 0.224 1.00 43.24 C ATOM 1522 CD1 ILE A 98 -15.246 -15.784 0.415 1.00 63.24 C ATOM 0 H ILE A 98 -14.155 -18.125 -1.982 1.00 44.10 H new ATOM 0 HA ILE A 98 -17.024 -18.829 -2.311 1.00 4.10 H new ATOM 0 HB ILE A 98 -17.338 -17.238 -0.336 1.00 13.21 H new ATOM 0 HG12 ILE A 98 -15.330 -17.672 1.408 1.00 43.22 H new ATOM 0 HG13 ILE A 98 -14.371 -17.672 -0.059 1.00 43.22 H new ATOM 0 HG21 ILE A 98 -17.098 -19.171 1.289 1.00 43.24 H new ATOM 0 HG22 ILE A 98 -17.815 -19.689 -0.256 1.00 43.24 H new ATOM 0 HG23 ILE A 98 -16.101 -20.026 0.088 1.00 43.24 H new ATOM 0 HD11 ILE A 98 -14.374 -15.463 0.985 1.00 63.24 H new ATOM 0 HD12 ILE A 98 -15.176 -15.400 -0.603 1.00 63.24 H new ATOM 0 HD13 ILE A 98 -16.150 -15.399 0.887 1.00 63.24 H new ATOM 1534 N LEU A 99 -17.335 -16.838 -3.700 1.00 73.33 N ATOM 1535 CA LEU A 99 -17.608 -15.720 -4.609 1.00 52.41 C ATOM 1536 C LEU A 99 -18.984 -15.128 -4.281 1.00 70.40 C ATOM 1537 O LEU A 99 -19.836 -15.805 -3.681 1.00 75.31 O ATOM 1538 CB LEU A 99 -17.539 -16.191 -6.097 1.00 41.41 C ATOM 1539 CG LEU A 99 -16.152 -16.719 -6.631 1.00 22.12 C ATOM 1540 CD1 LEU A 99 -14.996 -15.753 -6.293 1.00 21.30 C ATOM 1541 CD2 LEU A 99 -15.842 -18.167 -6.173 1.00 4.14 C ATOM 0 H LEU A 99 -17.967 -17.627 -3.835 1.00 73.33 H new ATOM 0 HA LEU A 99 -16.849 -14.949 -4.474 1.00 52.41 H new ATOM 0 HB2 LEU A 99 -18.275 -16.983 -6.233 1.00 41.41 H new ATOM 0 HB3 LEU A 99 -17.847 -15.357 -6.728 1.00 41.41 H new ATOM 0 HG LEU A 99 -16.240 -16.752 -7.717 1.00 22.12 H new ATOM 0 HD11 LEU A 99 -14.060 -16.156 -6.680 1.00 21.30 H new ATOM 0 HD12 LEU A 99 -15.188 -14.782 -6.749 1.00 21.30 H new ATOM 0 HD13 LEU A 99 -14.922 -15.638 -5.212 1.00 21.30 H new ATOM 0 HD21 LEU A 99 -14.875 -18.475 -6.571 1.00 4.14 H new ATOM 0 HD22 LEU A 99 -15.815 -18.206 -5.084 1.00 4.14 H new ATOM 0 HD23 LEU A 99 -16.617 -18.839 -6.541 1.00 4.14 H new ATOM 1553 N GLU A 100 -19.180 -13.852 -4.654 1.00 13.23 N ATOM 1554 CA GLU A 100 -20.438 -13.124 -4.397 1.00 2.40 C ATOM 1555 C GLU A 100 -21.557 -13.675 -5.320 1.00 1.42 C ATOM 1556 O GLU A 100 -21.511 -13.419 -6.542 1.00 52.55 O ATOM 1557 CB GLU A 100 -20.236 -11.588 -4.585 1.00 72.22 C ATOM 1558 CG GLU A 100 -21.454 -10.720 -4.182 1.00 53.12 C ATOM 1559 CD GLU A 100 -21.243 -9.214 -4.441 1.00 63.41 C ATOM 1560 OE1 GLU A 100 -20.672 -8.516 -3.574 1.00 43.23 O ATOM 1561 OE2 GLU A 100 -21.642 -8.726 -5.525 1.00 23.41 O ATOM 1562 OXT GLU A 100 -22.456 -14.393 -4.820 1.00 37.71 O ATOM 0 H GLU A 100 -18.476 -13.297 -5.140 1.00 13.23 H new ATOM 0 HA GLU A 100 -20.741 -13.282 -3.362 1.00 2.40 H new ATOM 0 HB2 GLU A 100 -19.373 -11.274 -3.997 1.00 72.22 H new ATOM 0 HB3 GLU A 100 -19.998 -11.392 -5.630 1.00 72.22 H new ATOM 0 HG2 GLU A 100 -22.331 -11.057 -4.735 1.00 53.12 H new ATOM 0 HG3 GLU A 100 -21.666 -10.873 -3.124 1.00 53.12 H new TER 1569 GLU A 100