USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 540 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 73 ASN : amide:sc= 1.63 K(o=1.8,f=-0.034) USER MOD Set 1.2: A 77 ASN : amide:sc= 0.221 K(o=1.8,f=1.1) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 164:sc= 0.388 (180deg=0) USER MOD Set 2.2: A 74 TYR OH : rot 30:sc= 0.361 USER MOD Set 3.1: A 56 THR OG1 : rot -175:sc= 0.0384 USER MOD Set 3.2: A 59 THR OG1 : rot 111:sc= 0.0384 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.0119) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0129 (180deg=-0.24) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 1.12 (180deg=0.751) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.182 K(o=0.18,f=-1.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00759 USER MOD Single : A 53 GLN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.963 K(o=0.96,f=0) USER MOD Single : A 61 SER OG : rot 33:sc= 0.196 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.594 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -8.447 -27.320 -24.954 1.00 0.00 N ATOM 77 CA MET A 1 -9.881 -27.181 -25.244 1.00 0.00 C ATOM 78 C MET A 1 -10.740 -27.871 -24.173 1.00 0.00 C ATOM 79 O MET A 1 -10.372 -28.926 -23.652 1.00 0.00 O ATOM 80 CB MET A 1 -10.197 -27.749 -26.640 1.00 0.00 C ATOM 81 CG MET A 1 -9.464 -27.022 -27.777 1.00 0.00 C ATOM 82 SD MET A 1 -9.850 -25.258 -27.984 1.00 0.00 S ATOM 83 CE MET A 1 -11.547 -25.359 -28.619 1.00 0.00 C ATOM 0 H1 MET A 1 -7.907 -26.657 -25.546 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.274 -27.108 -23.951 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.144 -28.293 -25.159 1.00 0.00 H new ATOM 0 HA MET A 1 -10.127 -26.119 -25.230 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.930 -28.805 -26.663 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.271 -27.688 -26.814 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.391 -27.120 -27.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.690 -27.534 -28.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.916 -24.356 -28.832 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.558 -25.951 -29.534 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.187 -25.831 -27.873 1.00 0.00 H new ATOM 93 N ASP A 2 -11.910 -27.300 -23.876 1.00 0.00 N ATOM 94 CA ASP A 2 -12.892 -27.827 -22.915 1.00 0.00 C ATOM 95 C ASP A 2 -14.263 -28.057 -23.593 1.00 0.00 C ATOM 96 O ASP A 2 -15.010 -27.096 -23.810 1.00 0.00 O ATOM 97 CB ASP A 2 -13.016 -26.871 -21.718 1.00 0.00 C ATOM 98 CG ASP A 2 -11.749 -26.863 -20.846 1.00 0.00 C ATOM 99 OD1 ASP A 2 -10.957 -25.893 -20.924 1.00 0.00 O ATOM 100 OD2 ASP A 2 -11.552 -27.822 -20.062 1.00 0.00 O ATOM 0 H ASP A 2 -12.213 -26.429 -24.311 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.543 -28.794 -22.552 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.212 -25.862 -22.080 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.872 -27.163 -21.109 1.00 0.00 H new ATOM 105 N PRO A 3 -14.626 -29.311 -23.935 1.00 0.00 N ATOM 106 CA PRO A 3 -15.895 -29.639 -24.594 1.00 0.00 C ATOM 107 C PRO A 3 -17.074 -29.859 -23.635 1.00 0.00 C ATOM 108 O PRO A 3 -18.176 -30.178 -24.087 1.00 0.00 O ATOM 109 CB PRO A 3 -15.576 -30.876 -25.443 1.00 0.00 C ATOM 110 CG PRO A 3 -14.541 -31.613 -24.594 1.00 0.00 C ATOM 111 CD PRO A 3 -13.755 -30.483 -23.928 1.00 0.00 C ATOM 0 HA PRO A 3 -16.247 -28.801 -25.195 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.463 -31.485 -25.619 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.177 -30.604 -26.420 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.015 -32.261 -23.857 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.896 -32.244 -25.206 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.476 -30.753 -22.909 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.830 -30.282 -24.469 1.00 0.00 H new ATOM 119 N LEU A 4 -16.866 -29.681 -22.327 1.00 0.00 N ATOM 120 CA LEU A 4 -17.818 -30.013 -21.261 1.00 0.00 C ATOM 121 C LEU A 4 -18.393 -28.766 -20.548 1.00 0.00 C ATOM 122 O LEU A 4 -18.540 -28.742 -19.328 1.00 0.00 O ATOM 123 CB LEU A 4 -17.175 -31.035 -20.298 1.00 0.00 C ATOM 124 CG LEU A 4 -16.727 -32.369 -20.926 1.00 0.00 C ATOM 125 CD1 LEU A 4 -16.113 -33.260 -19.846 1.00 0.00 C ATOM 126 CD2 LEU A 4 -17.883 -33.136 -21.574 1.00 0.00 C ATOM 0 H LEU A 4 -15.997 -29.287 -21.967 1.00 0.00 H new ATOM 0 HA LEU A 4 -18.693 -30.480 -21.712 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.308 -30.568 -19.830 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -17.888 -31.252 -19.503 1.00 0.00 H new ATOM 0 HG LEU A 4 -16.003 -32.124 -21.703 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.796 -34.204 -20.290 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.251 -32.758 -19.407 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.854 -33.455 -19.070 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.509 -34.067 -22.000 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.639 -33.359 -20.821 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -18.326 -32.528 -22.363 1.00 0.00 H new ATOM 138 N ASP A 5 -18.729 -27.723 -21.310 1.00 0.00 N ATOM 139 CA ASP A 5 -19.358 -26.483 -20.804 1.00 0.00 C ATOM 140 C ASP A 5 -20.831 -26.283 -21.219 1.00 0.00 C ATOM 141 O ASP A 5 -21.445 -25.271 -20.867 1.00 0.00 O ATOM 142 CB ASP A 5 -18.487 -25.280 -21.200 1.00 0.00 C ATOM 143 CG ASP A 5 -17.316 -25.083 -20.226 1.00 0.00 C ATOM 144 OD1 ASP A 5 -17.541 -24.538 -19.117 1.00 0.00 O ATOM 145 OD2 ASP A 5 -16.166 -25.446 -20.566 1.00 0.00 O ATOM 0 H ASP A 5 -18.572 -27.708 -22.318 1.00 0.00 H new ATOM 0 HA ASP A 5 -19.405 -26.576 -19.719 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -18.101 -25.426 -22.209 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.099 -24.378 -21.221 1.00 0.00 H new ATOM 150 N LYS A 6 -21.405 -27.236 -21.965 1.00 0.00 N ATOM 151 CA LYS A 6 -22.714 -27.085 -22.645 1.00 0.00 C ATOM 152 C LYS A 6 -23.776 -28.062 -22.142 1.00 0.00 C ATOM 153 O LYS A 6 -24.860 -27.655 -21.723 1.00 0.00 O ATOM 154 CB LYS A 6 -22.581 -27.189 -24.183 1.00 0.00 C ATOM 155 CG LYS A 6 -21.314 -26.551 -24.783 1.00 0.00 C ATOM 156 CD LYS A 6 -20.186 -27.557 -25.073 1.00 0.00 C ATOM 157 CE LYS A 6 -20.545 -28.509 -26.225 1.00 0.00 C ATOM 158 NZ LYS A 6 -19.426 -29.435 -26.539 1.00 0.00 N ATOM 0 H LYS A 6 -20.974 -28.148 -22.120 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.054 -26.082 -22.389 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -22.603 -28.242 -24.462 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.453 -26.720 -24.638 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -21.580 -26.041 -25.709 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.942 -25.791 -24.096 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.273 -27.016 -25.321 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.978 -28.138 -24.174 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.431 -29.085 -25.959 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.797 -27.928 -27.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.799 -30.283 -27.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.747 -28.959 -27.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.948 -29.713 -25.658 1.00 0.00 H new ATOM 172 N ILE A 7 -23.441 -29.353 -22.203 1.00 0.00 N ATOM 173 CA ILE A 7 -24.333 -30.499 -21.941 1.00 0.00 C ATOM 174 C ILE A 7 -23.739 -31.507 -20.941 1.00 0.00 C ATOM 175 O ILE A 7 -24.243 -32.624 -20.811 1.00 0.00 O ATOM 176 CB ILE A 7 -24.785 -31.158 -23.273 1.00 0.00 C ATOM 177 CG1 ILE A 7 -23.648 -31.551 -24.246 1.00 0.00 C ATOM 178 CG2 ILE A 7 -25.749 -30.216 -24.015 1.00 0.00 C ATOM 179 CD1 ILE A 7 -22.661 -32.602 -23.726 1.00 0.00 C ATOM 0 H ILE A 7 -22.496 -29.648 -22.448 1.00 0.00 H new ATOM 0 HA ILE A 7 -25.226 -30.113 -21.449 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.261 -32.091 -22.971 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.096 -31.924 -25.167 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -23.089 -30.652 -24.505 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -26.065 -30.681 -24.949 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -26.622 -30.025 -23.392 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -25.244 -29.275 -24.231 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -21.907 -32.802 -24.488 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -22.175 -32.230 -22.824 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.197 -33.523 -23.496 1.00 0.00 H new ATOM 191 N ILE A 8 -22.652 -31.122 -20.255 1.00 0.00 N ATOM 192 CA ILE A 8 -21.896 -31.960 -19.302 1.00 0.00 C ATOM 193 C ILE A 8 -22.791 -32.807 -18.371 1.00 0.00 C ATOM 194 O ILE A 8 -23.657 -32.291 -17.661 1.00 0.00 O ATOM 195 CB ILE A 8 -20.889 -31.104 -18.489 1.00 0.00 C ATOM 196 CG1 ILE A 8 -19.993 -32.008 -17.604 1.00 0.00 C ATOM 197 CG2 ILE A 8 -21.559 -29.983 -17.668 1.00 0.00 C ATOM 198 CD1 ILE A 8 -18.951 -31.271 -16.751 1.00 0.00 C ATOM 0 H ILE A 8 -22.258 -30.186 -20.350 1.00 0.00 H new ATOM 0 HA ILE A 8 -21.340 -32.677 -19.907 1.00 0.00 H new ATOM 0 HB ILE A 8 -20.256 -30.593 -19.214 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -20.635 -32.589 -16.941 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -19.474 -32.718 -18.248 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -20.797 -29.425 -17.125 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -22.093 -29.310 -18.339 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -22.262 -30.421 -16.959 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.378 -31.994 -16.171 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -18.278 -30.713 -17.401 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -19.456 -30.582 -16.074 1.00 0.00 H new ATOM 210 N ASN A 9 -22.530 -34.116 -18.344 1.00 0.00 N ATOM 211 CA ASN A 9 -23.024 -35.060 -17.342 1.00 0.00 C ATOM 212 C ASN A 9 -22.070 -36.263 -17.217 1.00 0.00 C ATOM 213 O ASN A 9 -21.600 -36.796 -18.225 1.00 0.00 O ATOM 214 CB ASN A 9 -24.441 -35.532 -17.725 1.00 0.00 C ATOM 215 CG ASN A 9 -25.032 -36.478 -16.691 1.00 0.00 C ATOM 216 OD1 ASN A 9 -24.816 -36.374 -15.492 1.00 0.00 O ATOM 217 ND2 ASN A 9 -25.782 -37.461 -17.127 1.00 0.00 N ATOM 0 H ASN A 9 -21.945 -34.564 -19.049 1.00 0.00 H new ATOM 0 HA ASN A 9 -23.067 -34.559 -16.375 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -25.093 -34.665 -17.836 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -24.406 -36.031 -18.693 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -26.179 -38.130 -16.468 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -25.968 -37.556 -18.125 1.00 0.00 H new ATOM 224 N ASP A 10 -21.820 -36.719 -15.987 1.00 0.00 N ATOM 225 CA ASP A 10 -21.083 -37.959 -15.684 1.00 0.00 C ATOM 226 C ASP A 10 -21.538 -38.529 -14.338 1.00 0.00 C ATOM 227 O ASP A 10 -20.791 -38.593 -13.361 1.00 0.00 O ATOM 228 CB ASP A 10 -19.573 -37.695 -15.733 1.00 0.00 C ATOM 229 CG ASP A 10 -18.729 -38.987 -15.651 1.00 0.00 C ATOM 230 OD1 ASP A 10 -17.598 -38.941 -15.104 1.00 0.00 O ATOM 231 OD2 ASP A 10 -19.167 -40.033 -16.178 1.00 0.00 O ATOM 0 H ASP A 10 -22.131 -36.227 -15.149 1.00 0.00 H new ATOM 0 HA ASP A 10 -21.303 -38.713 -16.439 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -19.332 -37.169 -16.657 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.298 -37.036 -14.909 1.00 0.00 H new ATOM 236 N ILE A 11 -22.826 -38.867 -14.316 1.00 0.00 N ATOM 237 CA ILE A 11 -23.681 -39.093 -13.160 1.00 0.00 C ATOM 238 C ILE A 11 -23.689 -37.890 -12.200 1.00 0.00 C ATOM 239 O ILE A 11 -22.740 -37.628 -11.460 1.00 0.00 O ATOM 240 CB ILE A 11 -23.371 -40.447 -12.498 1.00 0.00 C ATOM 241 CG1 ILE A 11 -23.603 -41.620 -13.483 1.00 0.00 C ATOM 242 CG2 ILE A 11 -24.239 -40.605 -11.236 1.00 0.00 C ATOM 243 CD1 ILE A 11 -23.167 -42.993 -12.951 1.00 0.00 C ATOM 0 H ILE A 11 -23.340 -39.001 -15.187 1.00 0.00 H new ATOM 0 HA ILE A 11 -24.713 -39.168 -13.502 1.00 0.00 H new ATOM 0 HB ILE A 11 -22.319 -40.470 -12.215 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -24.663 -41.662 -13.735 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -23.063 -41.414 -14.407 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -24.023 -41.563 -10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -24.017 -39.798 -10.538 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.293 -40.566 -11.512 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -23.366 -43.755 -13.705 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -22.101 -42.974 -12.726 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -23.725 -43.226 -12.044 1.00 0.00 H new ATOM 255 N LYS A 12 -24.811 -37.158 -12.213 1.00 0.00 N ATOM 256 CA LYS A 12 -25.102 -36.012 -11.322 1.00 0.00 C ATOM 257 C LYS A 12 -24.000 -34.930 -11.333 1.00 0.00 C ATOM 258 O LYS A 12 -23.708 -34.308 -10.310 1.00 0.00 O ATOM 259 CB LYS A 12 -25.463 -36.511 -9.905 1.00 0.00 C ATOM 260 CG LYS A 12 -26.676 -37.458 -9.813 1.00 0.00 C ATOM 261 CD LYS A 12 -28.038 -36.781 -10.048 1.00 0.00 C ATOM 262 CE LYS A 12 -28.491 -36.787 -11.515 1.00 0.00 C ATOM 263 NZ LYS A 12 -29.829 -36.153 -11.667 1.00 0.00 N ATOM 0 H LYS A 12 -25.572 -37.349 -12.865 1.00 0.00 H new ATOM 0 HA LYS A 12 -25.977 -35.499 -11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -24.595 -37.022 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -25.655 -35.644 -9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -26.552 -38.258 -10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -26.682 -37.924 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -28.792 -37.284 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -27.985 -35.750 -9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -27.762 -36.255 -12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -28.527 -37.812 -11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -30.110 -36.171 -12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -30.528 -36.677 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -29.786 -35.168 -11.337 1.00 0.00 H new ATOM 608 N LEU A 35 -9.811 3.625 -0.056 1.00 0.00 N ATOM 609 CA LEU A 35 -8.947 4.167 1.002 1.00 0.00 C ATOM 610 C LEU A 35 -9.617 5.366 1.706 1.00 0.00 C ATOM 611 O LEU A 35 -10.374 6.114 1.079 1.00 0.00 O ATOM 612 CB LEU A 35 -7.611 4.582 0.358 1.00 0.00 C ATOM 613 CG LEU A 35 -6.766 3.394 -0.154 1.00 0.00 C ATOM 614 CD1 LEU A 35 -6.087 3.729 -1.482 1.00 0.00 C ATOM 615 CD2 LEU A 35 -5.701 3.007 0.871 1.00 0.00 C ATOM 0 HA LEU A 35 -8.774 3.409 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.814 5.256 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.026 5.143 1.087 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.445 2.555 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.500 2.874 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.845 3.963 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.431 4.589 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.117 2.169 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.042 3.857 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.183 2.719 1.805 1.00 0.00 H new ATOM 627 N SER A 36 -9.311 5.583 2.991 1.00 0.00 N ATOM 628 CA SER A 36 -9.685 6.812 3.721 1.00 0.00 C ATOM 629 C SER A 36 -8.817 7.999 3.271 1.00 0.00 C ATOM 630 O SER A 36 -7.794 7.794 2.624 1.00 0.00 O ATOM 631 CB SER A 36 -9.577 6.571 5.233 1.00 0.00 C ATOM 632 OG SER A 36 -10.089 7.678 5.956 1.00 0.00 O ATOM 0 H SER A 36 -8.795 4.912 3.560 1.00 0.00 H new ATOM 0 HA SER A 36 -10.720 7.065 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.127 5.669 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.535 6.403 5.506 1.00 0.00 H new ATOM 0 HG SER A 36 -10.013 7.504 6.917 1.00 0.00 H new ATOM 638 N GLU A 37 -9.169 9.246 3.601 1.00 0.00 N ATOM 639 CA GLU A 37 -8.460 10.447 3.119 1.00 0.00 C ATOM 640 C GLU A 37 -6.959 10.445 3.470 1.00 0.00 C ATOM 641 O GLU A 37 -6.127 10.701 2.600 1.00 0.00 O ATOM 642 CB GLU A 37 -9.166 11.700 3.663 1.00 0.00 C ATOM 643 CG GLU A 37 -8.549 13.010 3.153 1.00 0.00 C ATOM 644 CD GLU A 37 -9.352 14.230 3.646 1.00 0.00 C ATOM 645 OE1 GLU A 37 -10.258 14.703 2.916 1.00 0.00 O ATOM 646 OE2 GLU A 37 -9.080 14.731 4.764 1.00 0.00 O ATOM 0 H GLU A 37 -9.957 9.457 4.213 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.501 10.447 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.218 11.668 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.127 11.687 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.517 13.087 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.523 13.004 2.063 1.00 0.00 H new ATOM 653 N GLN A 38 -6.594 10.080 4.705 1.00 0.00 N ATOM 654 CA GLN A 38 -5.186 9.943 5.104 1.00 0.00 C ATOM 655 C GLN A 38 -4.553 8.653 4.566 1.00 0.00 C ATOM 656 O GLN A 38 -3.392 8.657 4.160 1.00 0.00 O ATOM 657 CB GLN A 38 -5.023 10.064 6.632 1.00 0.00 C ATOM 658 CG GLN A 38 -5.850 9.069 7.469 1.00 0.00 C ATOM 659 CD GLN A 38 -5.273 8.893 8.871 1.00 0.00 C ATOM 660 OE1 GLN A 38 -5.693 9.519 9.837 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.282 8.039 9.033 1.00 0.00 N ATOM 0 H GLN A 38 -7.259 9.873 5.450 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.642 10.770 4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.970 9.932 6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.295 11.077 6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.879 9.421 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.878 8.104 6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.926 7.514 8.235 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.871 7.904 9.957 1.00 0.00 H new ATOM 670 N GLN A 39 -5.315 7.555 4.500 1.00 0.00 N ATOM 671 CA GLN A 39 -4.820 6.275 3.989 1.00 0.00 C ATOM 672 C GLN A 39 -4.475 6.369 2.500 1.00 0.00 C ATOM 673 O GLN A 39 -3.434 5.878 2.081 1.00 0.00 O ATOM 674 CB GLN A 39 -5.825 5.152 4.277 1.00 0.00 C ATOM 675 CG GLN A 39 -5.812 4.740 5.760 1.00 0.00 C ATOM 676 CD GLN A 39 -6.801 3.614 6.062 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.889 3.542 5.507 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.477 2.704 6.958 1.00 0.00 N ATOM 0 H GLN A 39 -6.290 7.530 4.799 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.896 6.030 4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.827 5.481 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.591 4.287 3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.807 4.421 6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.052 5.606 6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.573 2.751 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.130 1.952 7.181 1.00 0.00 H new ATOM 687 N LYS A 40 -5.276 7.088 1.712 1.00 0.00 N ATOM 688 CA LYS A 40 -5.028 7.348 0.290 1.00 0.00 C ATOM 689 C LYS A 40 -3.687 8.066 0.093 1.00 0.00 C ATOM 690 O LYS A 40 -2.924 7.692 -0.794 1.00 0.00 O ATOM 691 CB LYS A 40 -6.211 8.179 -0.239 1.00 0.00 C ATOM 692 CG LYS A 40 -6.090 8.550 -1.723 1.00 0.00 C ATOM 693 CD LYS A 40 -7.269 9.416 -2.199 1.00 0.00 C ATOM 694 CE LYS A 40 -8.593 8.639 -2.229 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.701 9.474 -2.764 1.00 0.00 N ATOM 0 H LYS A 40 -6.137 7.517 2.052 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.957 6.415 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.134 7.618 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.293 9.093 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.156 9.087 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.044 7.640 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.372 10.278 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.054 9.801 -3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.479 7.746 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.842 8.303 -1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.581 8.920 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.825 10.313 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.473 9.774 -3.733 1.00 0.00 H new ATOM 709 N ILE A 41 -3.365 9.040 0.951 1.00 0.00 N ATOM 710 CA ILE A 41 -2.092 9.777 0.902 1.00 0.00 C ATOM 711 C ILE A 41 -0.922 8.893 1.346 1.00 0.00 C ATOM 712 O ILE A 41 0.115 8.931 0.696 1.00 0.00 O ATOM 713 CB ILE A 41 -2.148 11.064 1.748 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.292 12.001 1.286 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.814 11.837 1.701 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.720 13.012 2.356 1.00 0.00 C ATOM 0 H ILE A 41 -3.982 9.343 1.704 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.928 10.066 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.338 10.747 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.972 12.540 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.154 11.397 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.894 12.738 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.014 11.206 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.590 12.114 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.524 13.636 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.070 12.480 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.870 13.640 2.623 1.00 0.00 H new ATOM 728 N ILE A 42 -1.061 8.068 2.391 1.00 0.00 N ATOM 729 CA ILE A 42 0.018 7.155 2.824 1.00 0.00 C ATOM 730 C ILE A 42 0.295 6.103 1.740 1.00 0.00 C ATOM 731 O ILE A 42 1.445 5.802 1.423 1.00 0.00 O ATOM 732 CB ILE A 42 -0.333 6.480 4.165 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.498 7.507 5.307 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.760 5.469 4.558 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.407 6.964 6.414 1.00 0.00 C ATOM 0 H ILE A 42 -1.908 8.010 2.956 1.00 0.00 H new ATOM 0 HA ILE A 42 0.923 7.743 2.974 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.285 5.969 4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.479 7.752 5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.917 8.432 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.498 5.001 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.842 4.704 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.714 5.986 4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.504 7.709 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.391 6.743 6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.974 6.053 6.826 1.00 0.00 H new ATOM 747 N LEU A 43 -0.768 5.578 1.133 1.00 0.00 N ATOM 748 CA LEU A 43 -0.704 4.617 0.034 1.00 0.00 C ATOM 749 C LEU A 43 0.027 5.221 -1.175 1.00 0.00 C ATOM 750 O LEU A 43 0.960 4.625 -1.717 1.00 0.00 O ATOM 751 CB LEU A 43 -2.150 4.179 -0.282 1.00 0.00 C ATOM 752 CG LEU A 43 -2.364 3.054 -1.302 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.304 3.549 -2.745 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.410 1.877 -1.072 1.00 0.00 C ATOM 0 H LEU A 43 -1.723 5.816 1.400 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.124 3.736 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.616 3.872 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.693 5.056 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.377 2.688 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.462 2.711 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.080 4.297 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.327 3.993 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.598 1.105 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.380 2.222 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.573 1.466 -0.076 1.00 0.00 H new ATOM 766 N ALA A 44 -0.364 6.439 -1.555 1.00 0.00 N ATOM 767 CA ALA A 44 0.224 7.186 -2.654 1.00 0.00 C ATOM 768 C ALA A 44 1.678 7.578 -2.373 1.00 0.00 C ATOM 769 O ALA A 44 2.541 7.301 -3.200 1.00 0.00 O ATOM 770 CB ALA A 44 -0.635 8.425 -2.896 1.00 0.00 C ATOM 0 H ALA A 44 -1.120 6.942 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 44 0.245 6.556 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.214 9.004 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.650 8.120 -3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.654 9.036 -1.994 1.00 0.00 H new ATOM 776 N GLU A 45 1.981 8.175 -1.216 1.00 0.00 N ATOM 777 CA GLU A 45 3.334 8.657 -0.901 1.00 0.00 C ATOM 778 C GLU A 45 4.366 7.522 -0.778 1.00 0.00 C ATOM 779 O GLU A 45 5.554 7.748 -1.015 1.00 0.00 O ATOM 780 CB GLU A 45 3.295 9.594 0.321 1.00 0.00 C ATOM 781 CG GLU A 45 3.298 8.926 1.706 1.00 0.00 C ATOM 782 CD GLU A 45 4.716 8.711 2.279 1.00 0.00 C ATOM 783 OE1 GLU A 45 5.115 7.545 2.514 1.00 0.00 O ATOM 784 OE2 GLU A 45 5.424 9.712 2.549 1.00 0.00 O ATOM 0 H GLU A 45 1.301 8.338 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 45 3.687 9.245 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.154 10.263 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.402 10.215 0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.723 9.540 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.792 7.963 1.638 1.00 0.00 H new ATOM 791 N TYR A 46 3.914 6.293 -0.500 1.00 0.00 N ATOM 792 CA TYR A 46 4.746 5.094 -0.495 1.00 0.00 C ATOM 793 C TYR A 46 5.144 4.697 -1.930 1.00 0.00 C ATOM 794 O TYR A 46 6.322 4.697 -2.285 1.00 0.00 O ATOM 795 CB TYR A 46 3.979 3.987 0.256 1.00 0.00 C ATOM 796 CG TYR A 46 4.691 2.675 0.536 1.00 0.00 C ATOM 797 CD1 TYR A 46 3.946 1.606 1.081 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.073 2.517 0.306 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.579 0.385 1.388 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.711 1.310 0.639 1.00 0.00 C ATOM 801 CZ TYR A 46 5.966 0.240 1.176 1.00 0.00 C ATOM 802 OH TYR A 46 6.583 -0.936 1.461 1.00 0.00 O ATOM 0 H TYR A 46 2.939 6.106 -0.268 1.00 0.00 H new ATOM 0 HA TYR A 46 5.687 5.273 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.654 4.399 1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.079 3.761 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.888 1.725 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.643 3.326 -0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.003 -0.438 1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.774 1.202 0.483 1.00 0.00 H new ATOM 0 HH TYR A 46 7.538 -0.863 1.255 1.00 0.00 H new ATOM 812 N ILE A 47 4.162 4.438 -2.793 1.00 0.00 N ATOM 813 CA ILE A 47 4.308 4.044 -4.192 1.00 0.00 C ATOM 814 C ILE A 47 4.973 5.151 -5.025 1.00 0.00 C ATOM 815 O ILE A 47 5.724 4.853 -5.945 1.00 0.00 O ATOM 816 CB ILE A 47 2.893 3.734 -4.719 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.371 2.444 -4.048 1.00 0.00 C ATOM 818 CG2 ILE A 47 2.836 3.627 -6.253 1.00 0.00 C ATOM 819 CD1 ILE A 47 0.880 2.181 -4.287 1.00 0.00 C ATOM 0 H ILE A 47 3.183 4.502 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 47 4.956 3.171 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 47 2.247 4.571 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.944 1.595 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.552 2.505 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.815 3.408 -6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.156 4.570 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.497 2.827 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.588 1.258 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.296 3.011 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.694 2.086 -5.357 1.00 0.00 H new ATOM 831 N ALA A 48 4.741 6.423 -4.705 1.00 0.00 N ATOM 832 CA ALA A 48 5.374 7.563 -5.367 1.00 0.00 C ATOM 833 C ALA A 48 6.871 7.697 -5.020 1.00 0.00 C ATOM 834 O ALA A 48 7.640 8.250 -5.810 1.00 0.00 O ATOM 835 CB ALA A 48 4.594 8.820 -4.976 1.00 0.00 C ATOM 0 H ALA A 48 4.095 6.696 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 48 5.342 7.414 -6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.043 9.690 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.558 8.721 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.625 8.945 -3.894 1.00 0.00 H new ATOM 841 N GLU A 49 7.299 7.172 -3.866 1.00 0.00 N ATOM 842 CA GLU A 49 8.704 7.143 -3.444 1.00 0.00 C ATOM 843 C GLU A 49 9.428 5.861 -3.893 1.00 0.00 C ATOM 844 O GLU A 49 10.587 5.941 -4.306 1.00 0.00 O ATOM 845 CB GLU A 49 8.779 7.348 -1.920 1.00 0.00 C ATOM 846 CG GLU A 49 10.224 7.441 -1.413 1.00 0.00 C ATOM 847 CD GLU A 49 10.275 7.885 0.061 1.00 0.00 C ATOM 848 OE1 GLU A 49 10.263 7.013 0.966 1.00 0.00 O ATOM 849 OE2 GLU A 49 10.355 9.109 0.327 1.00 0.00 O ATOM 0 H GLU A 49 6.667 6.748 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 49 9.231 7.960 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.243 8.259 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.274 6.522 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.712 6.472 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.782 8.148 -2.027 1.00 0.00 H new ATOM 856 N VAL A 50 8.765 4.693 -3.849 1.00 0.00 N ATOM 857 CA VAL A 50 9.405 3.386 -4.125 1.00 0.00 C ATOM 858 C VAL A 50 8.954 2.730 -5.438 1.00 0.00 C ATOM 859 O VAL A 50 9.475 1.685 -5.831 1.00 0.00 O ATOM 860 CB VAL A 50 9.343 2.434 -2.915 1.00 0.00 C ATOM 861 CG1 VAL A 50 9.625 3.136 -1.581 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.031 1.654 -2.803 1.00 0.00 C ATOM 0 H VAL A 50 7.773 4.623 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 50 10.460 3.610 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 50 10.142 1.720 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.566 2.411 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.623 3.575 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.887 3.922 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.066 1.007 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.200 2.352 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.891 1.047 -3.697 1.00 0.00 H new ATOM 872 N GLY A 51 8.007 3.351 -6.140 1.00 0.00 N ATOM 873 CA GLY A 51 7.744 3.150 -7.575 1.00 0.00 C ATOM 874 C GLY A 51 6.826 1.975 -7.917 1.00 0.00 C ATOM 875 O GLY A 51 6.935 1.420 -9.009 1.00 0.00 O ATOM 0 H GLY A 51 7.377 4.032 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.303 4.062 -7.977 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.697 3.005 -8.085 1.00 0.00 H new ATOM 879 N LEU A 52 5.987 1.544 -6.967 1.00 0.00 N ATOM 880 CA LEU A 52 5.156 0.321 -6.985 1.00 0.00 C ATOM 881 C LEU A 52 5.938 -1.007 -7.187 1.00 0.00 C ATOM 882 O LEU A 52 5.357 -2.081 -7.336 1.00 0.00 O ATOM 883 CB LEU A 52 3.977 0.479 -7.985 1.00 0.00 C ATOM 884 CG LEU A 52 2.592 0.154 -7.392 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.498 0.488 -8.403 1.00 0.00 C ATOM 886 CD2 LEU A 52 2.416 -1.303 -6.976 1.00 0.00 C ATOM 0 H LEU A 52 5.858 2.072 -6.104 1.00 0.00 H new ATOM 0 HA LEU A 52 4.751 0.223 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.968 1.503 -8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.154 -0.171 -8.842 1.00 0.00 H new ATOM 0 HG LEU A 52 2.515 0.765 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.523 0.255 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.542 1.549 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.647 -0.101 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.415 -1.447 -6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.551 -1.948 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.156 -1.557 -6.217 1.00 0.00 H new ATOM 898 N GLN A 53 7.269 -0.942 -7.182 1.00 0.00 N ATOM 899 CA GLN A 53 8.183 -2.055 -7.500 1.00 0.00 C ATOM 900 C GLN A 53 8.849 -2.658 -6.255 1.00 0.00 C ATOM 901 O GLN A 53 9.370 -3.773 -6.311 1.00 0.00 O ATOM 902 CB GLN A 53 9.251 -1.542 -8.480 1.00 0.00 C ATOM 903 CG GLN A 53 8.705 -1.381 -9.907 1.00 0.00 C ATOM 904 CD GLN A 53 9.552 -0.397 -10.707 1.00 0.00 C ATOM 905 OE1 GLN A 53 10.464 -0.756 -11.443 1.00 0.00 O ATOM 906 NE2 GLN A 53 9.293 0.884 -10.564 1.00 0.00 N ATOM 0 H GLN A 53 7.766 -0.083 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 53 7.597 -2.857 -7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.632 -0.583 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.093 -2.234 -8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.695 -2.349 -10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.673 -1.031 -9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.535 1.186 -9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.850 1.576 -11.065 1.00 0.00 H new ATOM 915 N ASN A 54 8.833 -1.924 -5.138 1.00 0.00 N ATOM 916 CA ASN A 54 9.537 -2.283 -3.898 1.00 0.00 C ATOM 917 C ASN A 54 8.615 -2.359 -2.663 1.00 0.00 C ATOM 918 O ASN A 54 9.097 -2.584 -1.550 1.00 0.00 O ATOM 919 CB ASN A 54 10.709 -1.308 -3.683 1.00 0.00 C ATOM 920 CG ASN A 54 11.687 -1.246 -4.844 1.00 0.00 C ATOM 921 OD1 ASN A 54 12.570 -2.079 -4.989 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.570 -0.261 -5.711 1.00 0.00 N ATOM 0 H ASN A 54 8.320 -1.045 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 54 9.922 -3.296 -4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.309 -0.310 -3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.249 -1.600 -2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.214 -0.196 -6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.835 0.436 -5.594 1.00 0.00 H new ATOM 929 N ILE A 55 7.299 -2.185 -2.843 1.00 0.00 N ATOM 930 CA ILE A 55 6.312 -2.375 -1.769 1.00 0.00 C ATOM 931 C ILE A 55 6.078 -3.863 -1.485 1.00 0.00 C ATOM 932 O ILE A 55 6.249 -4.712 -2.364 1.00 0.00 O ATOM 933 CB ILE A 55 4.978 -1.640 -2.032 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.156 -2.246 -3.186 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.209 -0.139 -2.254 1.00 0.00 C ATOM 936 CD1 ILE A 55 2.828 -1.512 -3.374 1.00 0.00 C ATOM 0 H ILE A 55 6.888 -1.909 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 55 6.742 -1.919 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 55 4.380 -1.776 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.733 -2.198 -4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.965 -3.300 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.254 0.353 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.676 0.292 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.862 0.005 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.275 -1.966 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.241 -1.582 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.021 -0.464 -3.602 1.00 0.00 H new ATOM 948 N THR A 56 5.639 -4.177 -0.268 1.00 0.00 N ATOM 949 CA THR A 56 5.341 -5.541 0.181 1.00 0.00 C ATOM 950 C THR A 56 4.054 -5.560 0.986 1.00 0.00 C ATOM 951 O THR A 56 3.816 -4.652 1.772 1.00 0.00 O ATOM 952 CB THR A 56 6.491 -6.106 1.044 1.00 0.00 C ATOM 953 OG1 THR A 56 7.127 -5.103 1.805 1.00 0.00 O ATOM 954 CG2 THR A 56 7.561 -6.779 0.186 1.00 0.00 C ATOM 0 H THR A 56 5.476 -3.475 0.453 1.00 0.00 H new ATOM 0 HA THR A 56 5.228 -6.166 -0.705 1.00 0.00 H new ATOM 0 HB THR A 56 6.026 -6.834 1.708 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.896 -5.487 2.275 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.353 -7.164 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.115 -7.602 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.979 -6.052 -0.510 1.00 0.00 H new ATOM 962 N ALA A 57 3.235 -6.607 0.851 1.00 0.00 N ATOM 963 CA ALA A 57 1.966 -6.744 1.567 1.00 0.00 C ATOM 964 C ALA A 57 2.158 -6.764 3.092 1.00 0.00 C ATOM 965 O ALA A 57 1.284 -6.318 3.823 1.00 0.00 O ATOM 966 CB ALA A 57 1.279 -8.026 1.086 1.00 0.00 C ATOM 0 H ALA A 57 3.438 -7.393 0.233 1.00 0.00 H new ATOM 0 HA ALA A 57 1.343 -5.877 1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.330 -8.148 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.098 -7.961 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.920 -8.883 1.294 1.00 0.00 H new ATOM 972 N ILE A 58 3.325 -7.215 3.562 1.00 0.00 N ATOM 973 CA ILE A 58 3.736 -7.216 4.972 1.00 0.00 C ATOM 974 C ILE A 58 3.894 -5.778 5.476 1.00 0.00 C ATOM 975 O ILE A 58 3.374 -5.411 6.528 1.00 0.00 O ATOM 976 CB ILE A 58 5.080 -7.970 5.112 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.955 -9.507 4.955 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.699 -7.714 6.502 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.491 -10.027 3.589 1.00 0.00 C ATOM 0 H ILE A 58 4.039 -7.605 2.947 1.00 0.00 H new ATOM 0 HA ILE A 58 2.972 -7.715 5.569 1.00 0.00 H new ATOM 0 HB ILE A 58 5.704 -7.585 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.926 -9.951 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.259 -9.870 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.644 -8.251 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.877 -6.646 6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.015 -8.063 7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.445 -11.116 3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.503 -9.627 3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.195 -9.709 2.820 1.00 0.00 H new ATOM 991 N THR A 59 4.628 -4.960 4.724 1.00 0.00 N ATOM 992 CA THR A 59 4.955 -3.586 5.104 1.00 0.00 C ATOM 993 C THR A 59 3.759 -2.681 4.858 1.00 0.00 C ATOM 994 O THR A 59 3.377 -1.920 5.734 1.00 0.00 O ATOM 995 CB THR A 59 6.198 -3.134 4.334 1.00 0.00 C ATOM 996 OG1 THR A 59 7.293 -3.937 4.725 1.00 0.00 O ATOM 997 CG2 THR A 59 6.588 -1.686 4.603 1.00 0.00 C ATOM 0 H THR A 59 5.017 -5.236 3.822 1.00 0.00 H new ATOM 0 HA THR A 59 5.183 -3.530 6.168 1.00 0.00 H new ATOM 0 HB THR A 59 5.956 -3.230 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.559 -4.513 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.477 -1.435 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.768 -1.029 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.798 -1.557 5.665 1.00 0.00 H new ATOM 1005 N LEU A 60 3.081 -2.830 3.722 1.00 0.00 N ATOM 1006 CA LEU A 60 1.847 -2.134 3.375 1.00 0.00 C ATOM 1007 C LEU A 60 0.701 -2.455 4.358 1.00 0.00 C ATOM 1008 O LEU A 60 -0.033 -1.550 4.749 1.00 0.00 O ATOM 1009 CB LEU A 60 1.540 -2.512 1.914 1.00 0.00 C ATOM 1010 CG LEU A 60 0.475 -1.665 1.205 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.978 -0.245 0.981 1.00 0.00 C ATOM 1012 CD2 LEU A 60 0.190 -2.276 -0.162 1.00 0.00 C ATOM 0 H LEU A 60 3.391 -3.467 2.988 1.00 0.00 H new ATOM 0 HA LEU A 60 1.958 -1.053 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.466 -2.448 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.221 -3.554 1.889 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.420 -1.643 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.208 0.339 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.211 0.214 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.876 -0.270 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.566 -1.682 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.106 -2.288 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.174 -3.296 -0.036 1.00 0.00 H new ATOM 1024 N SER A 61 0.625 -3.690 4.878 1.00 0.00 N ATOM 1025 CA SER A 61 -0.252 -4.077 5.999 1.00 0.00 C ATOM 1026 C SER A 61 -0.037 -3.205 7.240 1.00 0.00 C ATOM 1027 O SER A 61 -0.968 -2.882 7.977 1.00 0.00 O ATOM 1028 CB SER A 61 -0.058 -5.561 6.336 1.00 0.00 C ATOM 1029 OG SER A 61 -0.751 -5.958 7.501 1.00 0.00 O ATOM 0 H SER A 61 1.184 -4.467 4.524 1.00 0.00 H new ATOM 0 HA SER A 61 -1.281 -3.915 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.396 -6.166 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.005 -5.762 6.466 1.00 0.00 H new ATOM 0 HG SER A 61 -1.581 -5.443 7.580 1.00 0.00 H new ATOM 1035 N LYS A 62 1.196 -2.741 7.426 1.00 0.00 N ATOM 1036 CA LYS A 62 1.641 -1.982 8.597 1.00 0.00 C ATOM 1037 C LYS A 62 1.721 -0.467 8.370 1.00 0.00 C ATOM 1038 O LYS A 62 1.510 0.287 9.320 1.00 0.00 O ATOM 1039 CB LYS A 62 2.962 -2.565 9.122 1.00 0.00 C ATOM 1040 CG LYS A 62 2.766 -3.991 9.663 1.00 0.00 C ATOM 1041 CD LYS A 62 4.087 -4.555 10.190 1.00 0.00 C ATOM 1042 CE LYS A 62 3.887 -5.996 10.676 1.00 0.00 C ATOM 1043 NZ LYS A 62 5.144 -6.569 11.226 1.00 0.00 N ATOM 0 H LYS A 62 1.940 -2.887 6.744 1.00 0.00 H new ATOM 0 HA LYS A 62 0.873 -2.096 9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.701 -2.576 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.356 -1.925 9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.024 -3.984 10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.379 -4.635 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.842 -4.529 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.456 -3.935 11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.111 -6.018 11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.536 -6.614 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.971 -7.544 11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.877 -6.571 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.465 -5.994 12.031 1.00 0.00 H new ATOM 1057 N LYS A 63 1.935 0.000 7.130 1.00 0.00 N ATOM 1058 CA LYS A 63 1.930 1.424 6.750 1.00 0.00 C ATOM 1059 C LYS A 63 0.569 2.077 7.011 1.00 0.00 C ATOM 1060 O LYS A 63 0.519 3.229 7.440 1.00 0.00 O ATOM 1061 CB LYS A 63 2.287 1.527 5.256 1.00 0.00 C ATOM 1062 CG LYS A 63 3.761 1.269 4.902 1.00 0.00 C ATOM 1063 CD LYS A 63 4.697 2.440 5.222 1.00 0.00 C ATOM 1064 CE LYS A 63 6.050 2.226 4.531 1.00 0.00 C ATOM 1065 NZ LYS A 63 6.974 3.364 4.776 1.00 0.00 N ATOM 0 H LYS A 63 2.122 -0.619 6.341 1.00 0.00 H new ATOM 0 HA LYS A 63 2.663 1.955 7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.671 0.817 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.017 2.523 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.104 0.386 5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.833 1.040 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.251 3.376 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.837 2.522 6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.503 1.304 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.897 2.105 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.879 3.186 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.552 4.240 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.139 3.463 5.798 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.522 1.338 6.769 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.905 1.840 6.850 1.00 0.00 C ATOM 1081 C LEU A 64 -2.764 1.152 7.932 1.00 0.00 C ATOM 1082 O LEU A 64 -3.961 1.430 8.025 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.560 1.790 5.455 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.733 2.467 4.349 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.042 1.455 3.435 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.628 3.306 3.466 1.00 0.00 C ATOM 0 H LEU A 64 -0.469 0.354 6.506 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.851 2.878 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.729 0.748 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.538 2.268 5.507 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.984 3.072 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.472 1.984 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.369 0.832 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.792 0.826 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.030 3.780 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.385 2.670 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.115 4.074 4.067 1.00 0.00 H new ATOM 1098 N ASN A 65 -2.158 0.294 8.763 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.796 -0.477 9.844 1.00 0.00 C ATOM 1100 C ASN A 65 -3.968 -1.363 9.353 1.00 0.00 C ATOM 1101 O ASN A 65 -5.110 -1.230 9.802 1.00 0.00 O ATOM 1102 CB ASN A 65 -3.174 0.449 11.022 1.00 0.00 C ATOM 1103 CG ASN A 65 -2.048 1.365 11.468 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -1.155 0.981 12.209 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -2.053 2.604 11.023 1.00 0.00 N ATOM 0 H ASN A 65 -1.157 0.108 8.698 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.061 -1.190 10.217 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.031 1.057 10.733 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.488 -0.164 11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.310 3.247 11.296 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.800 2.921 10.405 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.678 -2.253 8.401 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.636 -3.099 7.669 1.00 0.00 C ATOM 1114 C ILE A 66 -4.260 -4.590 7.792 1.00 0.00 C ATOM 1115 O ILE A 66 -3.413 -4.954 8.609 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.755 -2.590 6.204 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.451 -1.974 5.642 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.899 -1.564 6.152 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.467 -1.759 4.124 1.00 0.00 C ATOM 0 H ILE A 66 -2.717 -2.415 8.100 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.629 -3.020 8.112 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.959 -3.451 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.273 -1.017 6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.614 -2.624 5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.006 -1.189 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.829 -2.040 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.674 -0.734 6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.519 -1.324 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.613 -2.716 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.281 -1.084 3.861 1.00 0.00 H new ATOM 1131 N THR A 67 -4.920 -5.473 7.035 1.00 0.00 N ATOM 1132 CA THR A 67 -4.525 -6.889 6.900 1.00 0.00 C ATOM 1133 C THR A 67 -3.546 -7.075 5.738 1.00 0.00 C ATOM 1134 O THR A 67 -3.505 -6.259 4.811 1.00 0.00 O ATOM 1135 CB THR A 67 -5.727 -7.849 6.774 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.145 -7.978 5.435 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.952 -7.428 7.588 1.00 0.00 C ATOM 0 H THR A 67 -5.749 -5.229 6.493 1.00 0.00 H new ATOM 0 HA THR A 67 -4.021 -7.156 7.829 1.00 0.00 H new ATOM 0 HB THR A 67 -5.353 -8.794 7.169 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.906 -8.593 5.388 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.751 -8.155 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.688 -7.382 8.645 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.290 -6.447 7.255 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.794 -8.182 5.740 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.925 -8.571 4.611 1.00 0.00 C ATOM 1147 C VAL A 68 -2.742 -8.822 3.341 1.00 0.00 C ATOM 1148 O VAL A 68 -2.260 -8.541 2.250 1.00 0.00 O ATOM 1149 CB VAL A 68 -1.066 -9.803 4.974 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.176 -10.291 3.818 1.00 0.00 C ATOM 1151 CG2 VAL A 68 -0.130 -9.482 6.150 1.00 0.00 C ATOM 0 H VAL A 68 -2.767 -8.837 6.522 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.250 -7.739 4.409 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.783 -10.585 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.399 -11.158 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.801 -10.568 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.506 -9.494 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.467 -10.362 6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.531 -8.660 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.723 -9.196 7.019 1.00 0.00 H new ATOM 1161 N GLU A 69 -3.995 -9.272 3.444 1.00 0.00 N ATOM 1162 CA GLU A 69 -4.835 -9.556 2.273 1.00 0.00 C ATOM 1163 C GLU A 69 -5.426 -8.261 1.710 1.00 0.00 C ATOM 1164 O GLU A 69 -5.485 -8.076 0.493 1.00 0.00 O ATOM 1165 CB GLU A 69 -5.943 -10.556 2.640 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.381 -11.937 3.007 1.00 0.00 C ATOM 1167 CD GLU A 69 -6.517 -12.944 3.274 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -6.954 -13.078 4.443 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -6.975 -13.616 2.318 1.00 0.00 O ATOM 0 H GLU A 69 -4.456 -9.450 4.336 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.215 -10.007 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.519 -10.166 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.631 -10.657 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.749 -12.303 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.750 -11.853 3.892 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.783 -7.319 2.594 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.308 -6.004 2.233 1.00 0.00 C ATOM 1178 C LYS A 70 -5.230 -5.158 1.563 1.00 0.00 C ATOM 1179 O LYS A 70 -5.456 -4.584 0.508 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.887 -5.359 3.501 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.876 -4.218 3.252 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.278 -2.863 2.849 1.00 0.00 C ATOM 1183 CE LYS A 70 -8.297 -1.735 3.104 1.00 0.00 C ATOM 1184 NZ LYS A 70 -9.205 -1.496 1.947 1.00 0.00 N ATOM 0 H LYS A 70 -5.711 -7.458 3.602 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.108 -6.091 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.386 -6.130 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.064 -4.980 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.567 -4.531 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.465 -4.074 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.367 -2.676 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.999 -2.879 1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.894 -1.984 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.761 -0.814 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.024 -0.935 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.693 -0.978 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.533 -2.408 1.569 1.00 0.00 H new ATOM 1198 N ALA A 71 -4.030 -5.167 2.122 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.824 -4.597 1.528 1.00 0.00 C ATOM 1200 C ALA A 71 -2.472 -5.232 0.166 1.00 0.00 C ATOM 1201 O ALA A 71 -2.229 -4.526 -0.812 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.684 -4.778 2.535 1.00 0.00 C ATOM 0 H ALA A 71 -3.860 -5.586 3.036 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.992 -3.540 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.765 -4.362 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.932 -4.261 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.543 -5.840 2.738 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.495 -6.566 0.065 1.00 0.00 N ATOM 1209 CA LYS A 72 -2.120 -7.313 -1.141 1.00 0.00 C ATOM 1210 C LYS A 72 -3.111 -7.082 -2.271 1.00 0.00 C ATOM 1211 O LYS A 72 -2.704 -7.100 -3.430 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.986 -8.798 -0.764 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.659 -9.743 -1.923 1.00 0.00 C ATOM 1214 CD LYS A 72 -1.362 -11.164 -1.404 1.00 0.00 C ATOM 1215 CE LYS A 72 0.086 -11.368 -0.930 1.00 0.00 C ATOM 1216 NZ LYS A 72 1.049 -11.446 -2.062 1.00 0.00 N ATOM 0 H LYS A 72 -2.781 -7.169 0.836 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.162 -6.957 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.207 -8.894 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.919 -9.124 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.496 -9.773 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.798 -9.365 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.038 -11.387 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.578 -11.881 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.369 -10.546 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.147 -12.283 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.011 -11.584 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.797 -12.246 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.013 -10.563 -2.610 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.367 -6.760 -1.952 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.365 -6.397 -2.953 1.00 0.00 C ATOM 1232 C ASN A 73 -4.836 -5.295 -3.895 1.00 0.00 C ATOM 1233 O ASN A 73 -4.984 -5.386 -5.113 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.709 -6.035 -2.263 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.161 -4.595 -2.471 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -7.495 -4.188 -3.567 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -7.141 -3.759 -1.470 1.00 0.00 N ATOM 0 H ASN A 73 -4.717 -6.744 -0.994 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.564 -7.257 -3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.485 -6.703 -2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.615 -6.222 -1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.403 -2.784 -1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.864 -4.080 -0.543 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.153 -4.293 -3.339 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.629 -3.146 -4.070 1.00 0.00 C ATOM 1246 C TYR A 74 -2.460 -3.541 -4.974 1.00 0.00 C ATOM 1247 O TYR A 74 -2.394 -3.095 -6.113 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.151 -2.093 -3.068 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.183 -1.620 -2.067 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -3.837 -1.587 -0.703 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -5.459 -1.189 -2.488 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -4.742 -1.076 0.243 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -6.369 -0.675 -1.540 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.005 -0.611 -0.179 1.00 0.00 C ATOM 1255 OH TYR A 74 -6.881 -0.117 0.733 1.00 0.00 O ATOM 0 H TYR A 74 -3.945 -4.259 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.426 -2.749 -4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.301 -2.499 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.788 -1.228 -3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.874 -1.955 -0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.737 -1.252 -3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.472 -1.040 1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.343 -0.331 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.386 0.287 1.476 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.583 -4.427 -4.490 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.404 -4.945 -5.205 1.00 0.00 C ATOM 1267 C ILE A 75 -0.820 -5.818 -6.407 1.00 0.00 C ATOM 1268 O ILE A 75 -0.073 -5.946 -7.379 1.00 0.00 O ATOM 1269 CB ILE A 75 0.503 -5.714 -4.207 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.848 -4.821 -2.986 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.795 -6.211 -4.884 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.706 -5.487 -1.909 1.00 0.00 C ATOM 0 H ILE A 75 -1.676 -4.820 -3.553 1.00 0.00 H new ATOM 0 HA ILE A 75 0.167 -4.112 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.053 -6.586 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.368 -3.932 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.082 -4.484 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.405 -6.745 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.541 -6.881 -5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.354 -5.359 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.890 -4.779 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.184 -6.359 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.657 -5.798 -2.342 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.023 -6.405 -6.370 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.594 -7.241 -7.436 1.00 0.00 C ATOM 1286 C LYS A 76 -3.511 -6.460 -8.392 1.00 0.00 C ATOM 1287 O LYS A 76 -3.644 -6.848 -9.551 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.333 -8.413 -6.769 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.516 -9.315 -5.827 1.00 0.00 C ATOM 1290 CD LYS A 76 -1.611 -10.355 -6.510 1.00 0.00 C ATOM 1291 CE LYS A 76 -0.323 -9.761 -7.102 1.00 0.00 C ATOM 1292 NZ LYS A 76 0.570 -10.822 -7.639 1.00 0.00 N ATOM 0 H LYS A 76 -2.648 -6.308 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.785 -7.610 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.171 -8.006 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.753 -9.039 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.895 -8.680 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.207 -9.840 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.346 -11.124 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.173 -10.846 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.576 -9.060 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.204 -9.195 -6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.430 -10.387 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.831 -11.476 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.075 -11.346 -8.389 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.108 -5.355 -7.936 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.912 -4.433 -8.742 1.00 0.00 C ATOM 1308 C ASN A 77 -4.013 -3.472 -9.521 1.00 0.00 C ATOM 1309 O ASN A 77 -4.247 -3.233 -10.707 1.00 0.00 O ATOM 1310 CB ASN A 77 -5.860 -3.653 -7.813 1.00 0.00 C ATOM 1311 CG ASN A 77 -7.127 -4.428 -7.523 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -7.777 -4.932 -8.417 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -7.546 -4.541 -6.292 1.00 0.00 N ATOM 0 H ASN A 77 -4.042 -5.068 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.497 -5.001 -9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.349 -3.429 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.115 -2.698 -8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.408 -5.047 -6.091 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.011 -4.123 -5.531 1.00 0.00 H new ATOM 1597 N GLU A 95 -4.718 16.746 -34.965 1.00 0.00 N ATOM 1598 CA GLU A 95 -5.377 17.957 -34.443 1.00 0.00 C ATOM 1599 C GLU A 95 -5.440 19.125 -35.452 1.00 0.00 C ATOM 1600 O GLU A 95 -6.297 20.002 -35.322 1.00 0.00 O ATOM 1601 CB GLU A 95 -4.655 18.413 -33.162 1.00 0.00 C ATOM 1602 CG GLU A 95 -4.808 17.445 -31.977 1.00 0.00 C ATOM 1603 CD GLU A 95 -6.239 17.462 -31.402 1.00 0.00 C ATOM 1604 OE1 GLU A 95 -7.076 16.619 -31.808 1.00 0.00 O ATOM 1605 OE2 GLU A 95 -6.537 18.319 -30.534 1.00 0.00 O ATOM 0 HA GLU A 95 -6.412 17.684 -34.236 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.594 18.538 -33.380 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.038 19.391 -32.870 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.558 16.434 -32.299 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.099 17.714 -31.194 1.00 0.00 H new ATOM 1612 N GLU A 96 -4.565 19.146 -36.466 1.00 0.00 N ATOM 1613 CA GLU A 96 -4.527 20.178 -37.516 1.00 0.00 C ATOM 1614 C GLU A 96 -4.158 19.569 -38.883 1.00 0.00 C ATOM 1615 O GLU A 96 -3.011 19.617 -39.335 1.00 0.00 O ATOM 1616 CB GLU A 96 -3.588 21.321 -37.080 1.00 0.00 C ATOM 1617 CG GLU A 96 -3.724 22.565 -37.969 1.00 0.00 C ATOM 1618 CD GLU A 96 -2.803 23.695 -37.470 1.00 0.00 C ATOM 1619 OE1 GLU A 96 -3.216 24.469 -36.570 1.00 0.00 O ATOM 1620 OE2 GLU A 96 -1.659 23.824 -37.971 1.00 0.00 O ATOM 0 H GLU A 96 -3.847 18.431 -36.584 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.521 20.606 -37.647 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.805 21.591 -36.047 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.556 20.970 -37.107 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.472 22.312 -38.999 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.759 22.906 -37.969 1.00 0.00 H new ATOM 1627 N VAL A 97 -5.153 18.961 -39.535 1.00 0.00 N ATOM 1628 CA VAL A 97 -5.061 18.360 -40.877 1.00 0.00 C ATOM 1629 C VAL A 97 -6.424 18.410 -41.586 1.00 0.00 C ATOM 1630 O VAL A 97 -7.464 18.475 -40.927 1.00 0.00 O ATOM 1631 CB VAL A 97 -4.485 16.927 -40.781 1.00 0.00 C ATOM 1632 CG1 VAL A 97 -5.417 15.949 -40.055 1.00 0.00 C ATOM 1633 CG2 VAL A 97 -4.104 16.339 -42.144 1.00 0.00 C ATOM 0 H VAL A 97 -6.084 18.868 -39.129 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.371 18.941 -41.489 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.578 17.045 -40.188 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.955 14.962 -40.022 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.594 16.301 -39.039 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.366 15.887 -40.588 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.707 15.333 -42.008 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.987 16.297 -42.782 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.347 16.968 -42.613 1.00 0.00 H new ATOM 1643 N SER A 98 -6.421 18.401 -42.924 1.00 0.00 N ATOM 1644 CA SER A 98 -7.581 18.455 -43.846 1.00 0.00 C ATOM 1645 C SER A 98 -8.440 19.734 -43.812 1.00 0.00 C ATOM 1646 O SER A 98 -8.840 20.221 -44.871 1.00 0.00 O ATOM 1647 CB SER A 98 -8.463 17.204 -43.702 1.00 0.00 C ATOM 1648 OG SER A 98 -7.699 16.021 -43.897 1.00 0.00 O ATOM 0 H SER A 98 -5.542 18.352 -43.439 1.00 0.00 H new ATOM 0 HA SER A 98 -7.115 18.482 -44.831 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.920 17.188 -42.713 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.275 17.241 -44.428 1.00 0.00 H new ATOM 0 HG SER A 98 -8.279 15.237 -43.799 1.00 0.00 H new ATOM 1654 N SER A 99 -8.699 20.318 -42.640 1.00 0.00 N ATOM 1655 CA SER A 99 -9.548 21.513 -42.465 1.00 0.00 C ATOM 1656 C SER A 99 -8.802 22.847 -42.648 1.00 0.00 C ATOM 1657 O SER A 99 -9.437 23.877 -42.885 1.00 0.00 O ATOM 1658 CB SER A 99 -10.204 21.485 -41.078 1.00 0.00 C ATOM 1659 OG SER A 99 -10.995 20.314 -40.921 1.00 0.00 O ATOM 0 H SER A 99 -8.318 19.969 -41.761 1.00 0.00 H new ATOM 0 HA SER A 99 -10.298 21.467 -43.255 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.435 21.517 -40.306 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.826 22.371 -40.946 1.00 0.00 H new ATOM 0 HG SER A 99 -11.404 20.312 -40.030 1.00 0.00 H new ATOM 1665 N MET A 100 -7.466 22.844 -42.541 1.00 0.00 N ATOM 1666 CA MET A 100 -6.606 24.040 -42.641 1.00 0.00 C ATOM 1667 C MET A 100 -5.255 23.740 -43.330 1.00 0.00 C ATOM 1668 O MET A 100 -4.233 24.364 -43.044 1.00 0.00 O ATOM 1669 CB MET A 100 -6.449 24.663 -41.238 1.00 0.00 C ATOM 1670 CG MET A 100 -6.122 26.161 -41.289 1.00 0.00 C ATOM 1671 SD MET A 100 -6.007 26.947 -39.658 1.00 0.00 S ATOM 1672 CE MET A 100 -5.653 28.649 -40.174 1.00 0.00 C ATOM 0 H MET A 100 -6.936 21.988 -42.378 1.00 0.00 H new ATOM 0 HA MET A 100 -7.086 24.773 -43.290 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.370 24.515 -40.674 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.658 24.141 -40.699 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.177 26.298 -41.815 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.889 26.670 -41.873 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.549 29.282 -39.293 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.726 28.670 -40.747 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.471 29.019 -40.792 1.00 0.00 H new ATOM 1682 N GLU A 101 -5.225 22.753 -44.231 1.00 0.00 N ATOM 1683 CA GLU A 101 -4.007 22.259 -44.901 1.00 0.00 C ATOM 1684 C GLU A 101 -3.638 23.129 -46.129 1.00 0.00 C ATOM 1685 O GLU A 101 -3.633 22.670 -47.274 1.00 0.00 O ATOM 1686 CB GLU A 101 -4.169 20.750 -45.192 1.00 0.00 C ATOM 1687 CG GLU A 101 -2.860 19.948 -45.101 1.00 0.00 C ATOM 1688 CD GLU A 101 -1.813 20.335 -46.164 1.00 0.00 C ATOM 1689 OE1 GLU A 101 -1.778 19.704 -47.249 1.00 0.00 O ATOM 1690 OE2 GLU A 101 -0.986 21.242 -45.898 1.00 0.00 O ATOM 0 H GLU A 101 -6.067 22.259 -44.526 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.143 22.359 -44.244 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.889 20.331 -44.489 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.589 20.627 -46.190 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.427 20.090 -44.111 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.088 18.887 -45.200 1.00 0.00 H new ATOM 1697 N ALA A 102 -3.398 24.422 -45.888 1.00 0.00 N ATOM 1698 CA ALA A 102 -3.081 25.440 -46.897 1.00 0.00 C ATOM 1699 C ALA A 102 -2.218 26.588 -46.326 1.00 0.00 C ATOM 1700 O ALA A 102 -2.122 26.768 -45.108 1.00 0.00 O ATOM 1701 CB ALA A 102 -4.403 25.983 -47.465 1.00 0.00 C ATOM 0 H ALA A 102 -3.420 24.805 -44.943 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.487 24.978 -47.686 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.191 26.742 -48.218 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.966 25.168 -47.920 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.991 26.424 -46.660 1.00 0.00 H new ATOM 1707 N LYS A 103 -1.623 27.394 -47.220 1.00 0.00 N ATOM 1708 CA LYS A 103 -0.903 28.647 -46.911 1.00 0.00 C ATOM 1709 C LYS A 103 -1.406 29.814 -47.774 1.00 0.00 C ATOM 1710 O LYS A 103 -1.833 29.610 -48.914 1.00 0.00 O ATOM 1711 CB LYS A 103 0.617 28.461 -47.087 1.00 0.00 C ATOM 1712 CG LYS A 103 1.240 27.577 -45.992 1.00 0.00 C ATOM 1713 CD LYS A 103 2.779 27.577 -46.038 1.00 0.00 C ATOM 1714 CE LYS A 103 3.383 26.942 -47.301 1.00 0.00 C ATOM 1715 NZ LYS A 103 3.211 25.465 -47.329 1.00 0.00 N ATOM 0 H LYS A 103 -1.629 27.185 -48.218 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.105 28.893 -45.868 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.813 28.016 -48.062 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.101 29.437 -47.079 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.909 27.928 -45.015 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.876 26.556 -46.104 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.131 28.606 -45.961 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.155 27.045 -45.164 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.913 27.377 -48.183 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.445 27.183 -47.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.634 25.083 -48.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.681 25.045 -46.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.197 25.233 -47.306 1.00 0.00 H new