USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 656 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 80 SER OG : rot 174:sc= -0.71 USER MOD Set 1.2: A 89 SER OG : rot -86:sc= 0.149 USER MOD Set 2.1: A 55 TYR OH : rot -9:sc= -0.895 USER MOD Set 2.2: A 79 TYR OH : rot -25:sc= 1.02 USER MOD Single : A 9 MET CE :methyl 143:sc= -1.1 (180deg=-2.8!) USER MOD Single : A 11 THR OG1 : rot -90:sc= -1.01 USER MOD Single : A 12 LYS NZ :NH3+ -135:sc= 0.181 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 56:sc=0.000601 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -111:sc= -0.529 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 0.733 (180deg=0.603) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= -0.0803 (180deg=-2.33!) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= -1.66 (180deg=-3.58!) USER MOD Single : A 64 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-2.7) USER MOD Single : A 72 THR OG1 : rot 21:sc= 0.357 USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= -0.503 (180deg=-1.14) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 130:sc= -0.168 USER MOD Single : A 84 THR OG1 : rot 150:sc= 0.231 USER MOD Single : A 87 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.1) USER MOD Single : A 88 SER OG : rot 60:sc= 0.381 USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00625) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.627 -3.320 -2.220 1.00 0.00 N ATOM 60 CA GLY A 7 -19.182 -3.234 -2.334 1.00 0.00 C ATOM 61 C GLY A 7 -18.555 -2.475 -1.182 1.00 0.00 C ATOM 62 O GLY A 7 -19.259 -1.890 -0.358 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.763 -4.240 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.923 -2.744 -3.272 1.00 0.00 H new ATOM 66 N ILE A 8 -17.227 -2.485 -1.122 1.00 0.00 N ATOM 67 CA ILE A 8 -16.506 -1.792 -0.062 1.00 0.00 C ATOM 68 C ILE A 8 -15.926 -0.474 -0.562 1.00 0.00 C ATOM 69 O ILE A 8 -15.196 -0.441 -1.552 1.00 0.00 O ATOM 70 CB ILE A 8 -15.365 -2.660 0.503 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.934 -3.891 1.212 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.501 -1.846 1.454 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.891 -4.935 1.541 1.00 0.00 C ATOM 0 H ILE A 8 -16.629 -2.965 -1.795 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.227 -1.592 0.731 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.741 -2.997 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.424 -3.576 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.701 -4.341 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.700 -2.473 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.071 -0.999 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.112 -1.482 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.366 -5.779 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.418 -5.279 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.136 -4.501 2.197 1.00 0.00 H new ATOM 85 N MET A 9 -16.255 0.612 0.132 1.00 0.00 N ATOM 86 CA MET A 9 -15.764 1.933 -0.241 1.00 0.00 C ATOM 87 C MET A 9 -14.611 2.359 0.662 1.00 0.00 C ATOM 88 O MET A 9 -14.562 1.996 1.837 1.00 0.00 O ATOM 89 CB MET A 9 -16.895 2.961 -0.162 1.00 0.00 C ATOM 90 CG MET A 9 -18.215 2.458 -0.723 1.00 0.00 C ATOM 91 SD MET A 9 -18.132 2.115 -2.492 1.00 0.00 S ATOM 92 CE MET A 9 -18.782 0.447 -2.545 1.00 0.00 C ATOM 0 H MET A 9 -16.859 0.602 0.954 1.00 0.00 H new ATOM 0 HA MET A 9 -15.399 1.882 -1.267 1.00 0.00 H new ATOM 0 HB2 MET A 9 -17.039 3.251 0.879 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.598 3.858 -0.705 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.508 1.551 -0.194 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.991 3.200 -0.537 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.390 0.322 -3.441 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.957 -0.265 -2.564 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.396 0.267 -1.662 1.00 0.00 H new ATOM 102 N VAL A 10 -13.683 3.131 0.104 1.00 0.00 N ATOM 103 CA VAL A 10 -12.529 3.606 0.859 1.00 0.00 C ATOM 104 C VAL A 10 -12.844 4.914 1.577 1.00 0.00 C ATOM 105 O VAL A 10 -12.798 5.990 0.980 1.00 0.00 O ATOM 106 CB VAL A 10 -11.308 3.816 -0.055 1.00 0.00 C ATOM 107 CG1 VAL A 10 -10.122 4.330 0.747 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.955 2.524 -0.777 1.00 0.00 C ATOM 0 H VAL A 10 -13.708 3.441 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.294 2.838 1.595 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.561 4.566 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.269 4.472 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.382 5.281 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.864 3.606 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.090 2.691 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.721 1.751 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.801 2.204 -1.385 1.00 0.00 H new ATOM 118 N THR A 11 -13.163 4.814 2.864 1.00 0.00 N ATOM 119 CA THR A 11 -13.486 5.988 3.665 1.00 0.00 C ATOM 120 C THR A 11 -12.289 6.925 3.774 1.00 0.00 C ATOM 121 O THR A 11 -12.432 8.145 3.695 1.00 0.00 O ATOM 122 CB THR A 11 -13.946 5.594 5.081 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.905 4.874 5.751 1.00 0.00 O ATOM 124 CG2 THR A 11 -15.204 4.740 5.023 1.00 0.00 C ATOM 0 H THR A 11 -13.204 3.931 3.374 1.00 0.00 H new ATOM 0 HA THR A 11 -14.302 6.502 3.157 1.00 0.00 H new ATOM 0 HB THR A 11 -14.170 6.506 5.634 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.005 3.915 5.575 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.510 4.474 6.035 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.003 5.301 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.002 3.832 4.455 1.00 0.00 H new ATOM 132 N LYS A 12 -11.106 6.347 3.956 1.00 0.00 N ATOM 133 CA LYS A 12 -9.882 7.130 4.074 1.00 0.00 C ATOM 134 C LYS A 12 -8.914 6.802 2.942 1.00 0.00 C ATOM 135 O LYS A 12 -8.379 5.696 2.873 1.00 0.00 O ATOM 136 CB LYS A 12 -9.212 6.866 5.425 1.00 0.00 C ATOM 137 CG LYS A 12 -8.143 7.884 5.783 1.00 0.00 C ATOM 138 CD LYS A 12 -7.555 7.615 7.158 1.00 0.00 C ATOM 139 CE LYS A 12 -6.110 8.082 7.247 1.00 0.00 C ATOM 140 NZ LYS A 12 -6.013 9.560 7.397 1.00 0.00 N ATOM 0 H LYS A 12 -10.969 5.339 4.025 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.148 8.185 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.974 6.862 6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.765 5.872 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.350 7.858 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.571 8.886 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.150 8.124 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.608 6.548 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.624 7.598 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.572 7.772 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.279 9.926 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.928 9.994 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.765 9.794 8.380 1.00 0.00 H new ATOM 154 N GLN A 13 -8.694 7.770 2.058 1.00 0.00 N ATOM 155 CA GLN A 13 -7.790 7.582 0.930 1.00 0.00 C ATOM 156 C GLN A 13 -6.335 7.706 1.371 1.00 0.00 C ATOM 157 O GLN A 13 -6.037 8.316 2.399 1.00 0.00 O ATOM 158 CB GLN A 13 -8.091 8.605 -0.168 1.00 0.00 C ATOM 159 CG GLN A 13 -9.559 8.667 -0.555 1.00 0.00 C ATOM 160 CD GLN A 13 -9.764 9.049 -2.007 1.00 0.00 C ATOM 161 OE1 GLN A 13 -9.315 10.105 -2.453 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.447 8.189 -2.755 1.00 0.00 N ATOM 0 H GLN A 13 -9.129 8.692 2.101 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.947 6.578 0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.770 9.591 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.501 8.362 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.021 7.697 -0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.069 9.390 0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.801 7.325 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.617 8.393 -3.740 1.00 0.00 H new ATOM 171 N LEU A 14 -5.433 7.123 0.589 1.00 0.00 N ATOM 172 CA LEU A 14 -4.008 7.168 0.900 1.00 0.00 C ATOM 173 C LEU A 14 -3.494 8.604 0.893 1.00 0.00 C ATOM 174 O LEU A 14 -4.193 9.521 0.462 1.00 0.00 O ATOM 175 CB LEU A 14 -3.221 6.327 -0.107 1.00 0.00 C ATOM 176 CG LEU A 14 -3.559 4.836 -0.146 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.000 4.196 -1.407 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.023 4.135 1.093 1.00 0.00 C ATOM 0 H LEU A 14 -5.663 6.614 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.865 6.756 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.383 6.742 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.159 6.433 0.113 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.644 4.729 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.250 3.135 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.432 4.680 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.917 4.314 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.273 3.075 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.940 4.251 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.471 4.576 1.983 1.00 0.00 H new ATOM 190 N GLU A 15 -2.268 8.790 1.371 1.00 0.00 N ATOM 191 CA GLU A 15 -1.660 10.115 1.418 1.00 0.00 C ATOM 192 C GLU A 15 -0.199 10.059 0.983 1.00 0.00 C ATOM 193 O GLU A 15 0.544 9.162 1.381 1.00 0.00 O ATOM 194 CB GLU A 15 -1.762 10.697 2.830 1.00 0.00 C ATOM 195 CG GLU A 15 -3.158 11.174 3.193 1.00 0.00 C ATOM 196 CD GLU A 15 -3.363 11.294 4.691 1.00 0.00 C ATOM 197 OE1 GLU A 15 -3.684 10.272 5.330 1.00 0.00 O ATOM 198 OE2 GLU A 15 -3.200 12.413 5.223 1.00 0.00 O ATOM 0 H GLU A 15 -1.676 8.041 1.731 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.202 10.760 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.447 9.941 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.067 11.532 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.340 12.142 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.893 10.480 2.784 1.00 0.00 H new ATOM 205 N ASP A 16 0.206 11.024 0.164 1.00 0.00 N ATOM 206 CA ASP A 16 1.578 11.086 -0.325 1.00 0.00 C ATOM 207 C ASP A 16 2.571 10.961 0.826 1.00 0.00 C ATOM 208 O ASP A 16 2.470 11.669 1.828 1.00 0.00 O ATOM 209 CB ASP A 16 1.814 12.395 -1.080 1.00 0.00 C ATOM 210 CG ASP A 16 3.264 12.836 -1.035 1.00 0.00 C ATOM 211 OD1 ASP A 16 4.048 12.383 -1.894 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.614 13.634 -0.139 1.00 0.00 O ATOM 0 H ASP A 16 -0.397 11.774 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 16 1.733 10.250 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.507 12.273 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.186 13.176 -0.652 1.00 0.00 H new ATOM 217 N THR A 17 3.533 10.055 0.676 1.00 0.00 N ATOM 218 CA THR A 17 4.544 9.836 1.703 1.00 0.00 C ATOM 219 C THR A 17 5.949 9.998 1.134 1.00 0.00 C ATOM 220 O THR A 17 6.177 9.783 -0.057 1.00 0.00 O ATOM 221 CB THR A 17 4.413 8.435 2.329 1.00 0.00 C ATOM 222 OG1 THR A 17 3.272 8.388 3.192 1.00 0.00 O ATOM 223 CG2 THR A 17 5.665 8.075 3.115 1.00 0.00 C ATOM 0 H THR A 17 3.633 9.461 -0.147 1.00 0.00 H new ATOM 0 HA THR A 17 4.379 10.587 2.475 1.00 0.00 H new ATOM 0 HB THR A 17 4.288 7.712 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.471 8.644 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.550 7.081 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.528 8.082 2.449 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.816 8.803 3.912 1.00 0.00 H new ATOM 231 N THR A 18 6.890 10.378 1.993 1.00 0.00 N ATOM 232 CA THR A 18 8.273 10.569 1.577 1.00 0.00 C ATOM 233 C THR A 18 9.241 9.979 2.596 1.00 0.00 C ATOM 234 O THR A 18 9.431 10.533 3.678 1.00 0.00 O ATOM 235 CB THR A 18 8.600 12.061 1.380 1.00 0.00 C ATOM 236 OG1 THR A 18 7.706 12.635 0.420 1.00 0.00 O ATOM 237 CG2 THR A 18 10.037 12.244 0.916 1.00 0.00 C ATOM 0 H THR A 18 6.719 10.560 2.982 1.00 0.00 H new ATOM 0 HA THR A 18 8.390 10.050 0.626 1.00 0.00 H new ATOM 0 HB THR A 18 8.478 12.567 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.919 13.584 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.244 13.306 0.784 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.716 11.832 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.182 11.725 -0.032 1.00 0.00 H new ATOM 245 N ALA A 19 9.850 8.851 2.244 1.00 0.00 N ATOM 246 CA ALA A 19 10.800 8.188 3.127 1.00 0.00 C ATOM 247 C ALA A 19 12.208 8.217 2.541 1.00 0.00 C ATOM 248 O ALA A 19 12.414 8.680 1.419 1.00 0.00 O ATOM 249 CB ALA A 19 10.365 6.754 3.389 1.00 0.00 C ATOM 0 H ALA A 19 9.702 8.378 1.353 1.00 0.00 H new ATOM 0 HA ALA A 19 10.817 8.730 4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.084 6.271 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.382 6.752 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.317 6.210 2.446 1.00 0.00 H new ATOM 255 N TYR A 20 13.173 7.722 3.308 1.00 0.00 N ATOM 256 CA TYR A 20 14.562 7.695 2.865 1.00 0.00 C ATOM 257 C TYR A 20 14.973 6.286 2.448 1.00 0.00 C ATOM 258 O TYR A 20 14.332 5.303 2.822 1.00 0.00 O ATOM 259 CB TYR A 20 15.484 8.199 3.977 1.00 0.00 C ATOM 260 CG TYR A 20 15.199 9.622 4.401 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.527 10.692 3.577 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.601 9.897 5.624 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.270 11.994 3.960 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.339 11.196 6.015 1.00 0.00 C ATOM 265 CZ TYR A 20 14.675 12.240 5.180 1.00 0.00 C ATOM 266 OH TYR A 20 14.416 13.536 5.565 1.00 0.00 O ATOM 0 H TYR A 20 13.019 7.334 4.239 1.00 0.00 H new ATOM 0 HA TYR A 20 14.654 8.352 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.387 7.544 4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.518 8.129 3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.991 10.502 2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.336 9.081 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.533 12.814 3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.874 11.392 6.970 1.00 0.00 H new ATOM 0 HH TYR A 20 13.994 13.536 6.449 1.00 0.00 H new ATOM 276 N CYS A 21 16.047 6.196 1.671 1.00 0.00 N ATOM 277 CA CYS A 21 16.546 4.908 1.202 1.00 0.00 C ATOM 278 C CYS A 21 16.932 4.014 2.376 1.00 0.00 C ATOM 279 O CYS A 21 17.933 4.255 3.049 1.00 0.00 O ATOM 280 CB CYS A 21 17.749 5.109 0.280 1.00 0.00 C ATOM 281 SG CYS A 21 18.244 3.622 -0.623 1.00 0.00 S ATOM 0 H CYS A 21 16.589 6.999 1.353 1.00 0.00 H new ATOM 0 HA CYS A 21 15.748 4.418 0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.516 5.896 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.594 5.459 0.874 1.00 0.00 H new ATOM 0 HG CYS A 21 19.268 3.893 -1.377 1.00 0.00 H new ATOM 287 N GLY A 22 16.130 2.981 2.616 1.00 0.00 N ATOM 288 CA GLY A 22 16.404 2.068 3.710 1.00 0.00 C ATOM 289 C GLY A 22 15.417 2.218 4.851 1.00 0.00 C ATOM 290 O GLY A 22 15.341 1.360 5.730 1.00 0.00 O ATOM 0 H GLY A 22 15.296 2.760 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.374 1.043 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.414 2.243 4.081 1.00 0.00 H new ATOM 294 N GLU A 23 14.661 3.311 4.838 1.00 0.00 N ATOM 295 CA GLU A 23 13.676 3.571 5.882 1.00 0.00 C ATOM 296 C GLU A 23 12.457 2.668 5.716 1.00 0.00 C ATOM 297 O GLU A 23 12.275 2.039 4.673 1.00 0.00 O ATOM 298 CB GLU A 23 13.245 5.038 5.853 1.00 0.00 C ATOM 299 CG GLU A 23 14.120 5.946 6.702 1.00 0.00 C ATOM 300 CD GLU A 23 13.640 6.043 8.137 1.00 0.00 C ATOM 301 OE1 GLU A 23 12.429 6.269 8.343 1.00 0.00 O ATOM 302 OE2 GLU A 23 14.475 5.894 9.054 1.00 0.00 O ATOM 0 H GLU A 23 14.711 4.030 4.117 1.00 0.00 H new ATOM 0 HA GLU A 23 14.139 3.355 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.261 5.392 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.214 5.112 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.144 5.573 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.139 6.943 6.261 1.00 0.00 H new ATOM 309 N ARG A 24 11.627 2.609 6.752 1.00 0.00 N ATOM 310 CA ARG A 24 10.426 1.782 6.722 1.00 0.00 C ATOM 311 C ARG A 24 9.188 2.631 6.446 1.00 0.00 C ATOM 312 O ARG A 24 8.852 3.527 7.220 1.00 0.00 O ATOM 313 CB ARG A 24 10.261 1.038 8.048 1.00 0.00 C ATOM 314 CG ARG A 24 9.010 0.177 8.112 1.00 0.00 C ATOM 315 CD ARG A 24 8.653 -0.182 9.546 1.00 0.00 C ATOM 316 NE ARG A 24 7.978 -1.474 9.636 1.00 0.00 N ATOM 317 CZ ARG A 24 7.225 -1.839 10.667 1.00 0.00 C ATOM 318 NH1 ARG A 24 7.052 -1.015 11.691 1.00 0.00 N ATOM 319 NH2 ARG A 24 6.643 -3.032 10.675 1.00 0.00 N ATOM 0 H ARG A 24 11.764 3.123 7.622 1.00 0.00 H new ATOM 0 HA ARG A 24 10.535 1.056 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.135 0.407 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.234 1.763 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.177 0.708 7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.165 -0.735 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.560 -0.204 10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.010 0.593 9.964 1.00 0.00 H new ATOM 0 HE ARG A 24 8.091 -2.132 8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.498 -0.098 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.473 -1.298 12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.774 -3.669 9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.065 -3.312 11.467 1.00 0.00 H new ATOM 333 N VAL A 25 8.514 2.342 5.337 1.00 0.00 N ATOM 334 CA VAL A 25 7.314 3.077 4.959 1.00 0.00 C ATOM 335 C VAL A 25 6.058 2.383 5.475 1.00 0.00 C ATOM 336 O VAL A 25 5.965 1.156 5.460 1.00 0.00 O ATOM 337 CB VAL A 25 7.209 3.233 3.430 1.00 0.00 C ATOM 338 CG1 VAL A 25 6.070 4.173 3.065 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.526 3.729 2.854 1.00 0.00 C ATOM 0 H VAL A 25 8.779 1.604 4.685 1.00 0.00 H new ATOM 0 HA VAL A 25 7.393 4.065 5.413 1.00 0.00 H new ATOM 0 HB VAL A 25 6.994 2.256 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.012 4.270 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.131 3.771 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.250 5.152 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.434 3.834 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.774 4.696 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.316 3.014 3.083 1.00 0.00 H new ATOM 349 N GLU A 26 5.095 3.177 5.932 1.00 0.00 N ATOM 350 CA GLU A 26 3.844 2.638 6.454 1.00 0.00 C ATOM 351 C GLU A 26 2.647 3.397 5.889 1.00 0.00 C ATOM 352 O GLU A 26 2.409 4.554 6.241 1.00 0.00 O ATOM 353 CB GLU A 26 3.832 2.707 7.982 1.00 0.00 C ATOM 354 CG GLU A 26 4.567 1.557 8.650 1.00 0.00 C ATOM 355 CD GLU A 26 4.126 1.337 10.084 1.00 0.00 C ATOM 356 OE1 GLU A 26 2.977 1.697 10.414 1.00 0.00 O ATOM 357 OE2 GLU A 26 4.931 0.803 10.876 1.00 0.00 O ATOM 0 H GLU A 26 5.157 4.195 5.952 1.00 0.00 H new ATOM 0 HA GLU A 26 3.769 1.596 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.283 3.648 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.799 2.717 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.401 0.644 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.639 1.755 8.630 1.00 0.00 H new ATOM 364 N LEU A 27 1.897 2.739 5.012 1.00 0.00 N ATOM 365 CA LEU A 27 0.724 3.351 4.398 1.00 0.00 C ATOM 366 C LEU A 27 -0.555 2.893 5.091 1.00 0.00 C ATOM 367 O LEU A 27 -0.929 1.723 5.012 1.00 0.00 O ATOM 368 CB LEU A 27 0.664 3.004 2.909 1.00 0.00 C ATOM 369 CG LEU A 27 1.945 3.249 2.111 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.824 2.658 0.715 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.250 4.738 2.037 1.00 0.00 C ATOM 0 H LEU A 27 2.080 1.782 4.710 1.00 0.00 H new ATOM 0 HA LEU A 27 0.808 4.432 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.395 1.952 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.140 3.582 2.454 1.00 0.00 H new ATOM 0 HG LEU A 27 2.770 2.754 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.745 2.842 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.653 1.584 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.988 3.124 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.165 4.894 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.424 5.255 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.380 5.133 3.044 1.00 0.00 H new ATOM 383 N GLU A 28 -1.222 3.823 5.767 1.00 0.00 N ATOM 384 CA GLU A 28 -2.460 3.514 6.472 1.00 0.00 C ATOM 385 C GLU A 28 -3.673 3.993 5.678 1.00 0.00 C ATOM 386 O GLU A 28 -3.594 4.973 4.936 1.00 0.00 O ATOM 387 CB GLU A 28 -2.458 4.159 7.859 1.00 0.00 C ATOM 388 CG GLU A 28 -3.512 3.593 8.796 1.00 0.00 C ATOM 389 CD GLU A 28 -3.991 4.607 9.816 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.845 5.447 9.463 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.512 4.559 10.969 1.00 0.00 O ATOM 0 H GLU A 28 -0.926 4.796 5.841 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.524 2.432 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.475 4.027 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.618 5.232 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.362 3.242 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.103 2.726 9.315 1.00 0.00 H new ATOM 398 N CYS A 29 -4.791 3.295 5.840 1.00 0.00 N ATOM 399 CA CYS A 29 -6.020 3.647 5.138 1.00 0.00 C ATOM 400 C CYS A 29 -7.233 3.015 5.814 1.00 0.00 C ATOM 401 O CYS A 29 -7.092 2.171 6.698 1.00 0.00 O ATOM 402 CB CYS A 29 -5.944 3.199 3.677 1.00 0.00 C ATOM 403 SG CYS A 29 -6.065 1.409 3.447 1.00 0.00 S ATOM 0 H CYS A 29 -4.872 2.482 6.451 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.131 4.731 5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.746 3.681 3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.003 3.547 3.250 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.921 0.946 3.039 1.00 0.00 H new ATOM 409 N GLU A 30 -8.423 3.431 5.392 1.00 0.00 N ATOM 410 CA GLU A 30 -9.659 2.907 5.960 1.00 0.00 C ATOM 411 C GLU A 30 -10.660 2.564 4.860 1.00 0.00 C ATOM 412 O GLU A 30 -10.652 3.168 3.787 1.00 0.00 O ATOM 413 CB GLU A 30 -10.274 3.923 6.925 1.00 0.00 C ATOM 414 CG GLU A 30 -9.747 3.808 8.346 1.00 0.00 C ATOM 415 CD GLU A 30 -10.317 4.869 9.267 1.00 0.00 C ATOM 416 OE1 GLU A 30 -10.504 6.016 8.809 1.00 0.00 O ATOM 417 OE2 GLU A 30 -10.577 4.552 10.447 1.00 0.00 O ATOM 0 H GLU A 30 -8.557 4.128 4.660 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.420 1.995 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.078 4.929 6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.356 3.792 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.989 2.821 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.660 3.888 8.334 1.00 0.00 H new ATOM 424 N VAL A 31 -11.521 1.590 5.134 1.00 0.00 N ATOM 425 CA VAL A 31 -12.529 1.166 4.170 1.00 0.00 C ATOM 426 C VAL A 31 -13.932 1.272 4.758 1.00 0.00 C ATOM 427 O VAL A 31 -14.112 1.747 5.879 1.00 0.00 O ATOM 428 CB VAL A 31 -12.287 -0.283 3.706 1.00 0.00 C ATOM 429 CG1 VAL A 31 -10.978 -0.387 2.939 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.295 -1.231 4.895 1.00 0.00 C ATOM 0 H VAL A 31 -11.541 1.079 6.017 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.447 1.833 3.312 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.096 -0.571 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.824 -1.418 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.016 0.262 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.154 -0.080 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.123 -2.250 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.507 -0.946 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.261 -1.177 5.397 1.00 0.00 H new ATOM 440 N SER A 32 -14.923 0.826 3.993 1.00 0.00 N ATOM 441 CA SER A 32 -16.312 0.874 4.436 1.00 0.00 C ATOM 442 C SER A 32 -16.619 -0.280 5.385 1.00 0.00 C ATOM 443 O SER A 32 -17.294 -0.102 6.398 1.00 0.00 O ATOM 444 CB SER A 32 -17.256 0.826 3.233 1.00 0.00 C ATOM 445 OG SER A 32 -18.609 0.912 3.643 1.00 0.00 O ATOM 0 H SER A 32 -14.790 0.427 3.064 1.00 0.00 H new ATOM 0 HA SER A 32 -16.465 1.812 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.026 1.646 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.098 -0.100 2.680 1.00 0.00 H new ATOM 0 HG SER A 32 -19.192 0.881 2.856 1.00 0.00 H new ATOM 451 N GLU A 33 -16.118 -1.465 5.048 1.00 0.00 N ATOM 452 CA GLU A 33 -16.340 -2.649 5.869 1.00 0.00 C ATOM 453 C GLU A 33 -15.129 -2.933 6.752 1.00 0.00 C ATOM 454 O GLU A 33 -14.085 -2.293 6.618 1.00 0.00 O ATOM 455 CB GLU A 33 -16.635 -3.862 4.984 1.00 0.00 C ATOM 456 CG GLU A 33 -17.978 -3.788 4.278 1.00 0.00 C ATOM 457 CD GLU A 33 -18.470 -5.146 3.816 1.00 0.00 C ATOM 458 OE1 GLU A 33 -18.917 -5.937 4.672 1.00 0.00 O ATOM 459 OE2 GLU A 33 -18.409 -5.417 2.598 1.00 0.00 O ATOM 0 H GLU A 33 -15.556 -1.630 4.213 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.200 -2.459 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.846 -3.957 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.605 -4.764 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.714 -3.349 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.896 -3.124 3.418 1.00 0.00 H new ATOM 466 N ASP A 34 -15.276 -3.896 7.655 1.00 0.00 N ATOM 467 CA ASP A 34 -14.194 -4.266 8.562 1.00 0.00 C ATOM 468 C ASP A 34 -13.561 -5.588 8.140 1.00 0.00 C ATOM 469 O ASP A 34 -14.098 -6.304 7.295 1.00 0.00 O ATOM 470 CB ASP A 34 -14.716 -4.370 9.996 1.00 0.00 C ATOM 471 CG ASP A 34 -15.217 -5.761 10.330 1.00 0.00 C ATOM 472 OD1 ASP A 34 -15.908 -6.363 9.481 1.00 0.00 O ATOM 473 OD2 ASP A 34 -14.918 -6.249 11.439 1.00 0.00 O ATOM 0 H ASP A 34 -16.133 -4.435 7.779 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.432 -3.488 8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.921 -4.097 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.524 -3.652 10.139 1.00 0.00 H new ATOM 478 N ASP A 35 -12.415 -5.905 8.734 1.00 0.00 N ATOM 479 CA ASP A 35 -11.708 -7.141 8.420 1.00 0.00 C ATOM 480 C ASP A 35 -11.851 -7.489 6.942 1.00 0.00 C ATOM 481 O ASP A 35 -12.077 -8.644 6.585 1.00 0.00 O ATOM 482 CB ASP A 35 -12.237 -8.289 9.281 1.00 0.00 C ATOM 483 CG ASP A 35 -11.951 -8.086 10.756 1.00 0.00 C ATOM 484 OD1 ASP A 35 -12.333 -7.025 11.293 1.00 0.00 O ATOM 485 OD2 ASP A 35 -11.346 -8.987 11.373 1.00 0.00 O ATOM 0 H ASP A 35 -11.956 -5.323 9.435 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.651 -6.991 8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.313 -8.385 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.785 -9.225 8.952 1.00 0.00 H new ATOM 490 N ALA A 36 -11.719 -6.480 6.086 1.00 0.00 N ATOM 491 CA ALA A 36 -11.833 -6.680 4.647 1.00 0.00 C ATOM 492 C ALA A 36 -10.488 -7.062 4.037 1.00 0.00 C ATOM 493 O ALA A 36 -9.445 -6.921 4.674 1.00 0.00 O ATOM 494 CB ALA A 36 -12.378 -5.425 3.982 1.00 0.00 C ATOM 0 H ALA A 36 -11.533 -5.517 6.365 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.528 -7.502 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.458 -5.588 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.363 -5.196 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.704 -4.590 4.173 1.00 0.00 H new ATOM 500 N ASN A 37 -10.520 -7.547 2.801 1.00 0.00 N ATOM 501 CA ASN A 37 -9.303 -7.951 2.106 1.00 0.00 C ATOM 502 C ASN A 37 -9.033 -7.043 0.910 1.00 0.00 C ATOM 503 O ASN A 37 -9.578 -7.248 -0.175 1.00 0.00 O ATOM 504 CB ASN A 37 -9.415 -9.405 1.642 1.00 0.00 C ATOM 505 CG ASN A 37 -8.149 -9.894 0.964 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.041 -9.524 1.353 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.309 -10.730 -0.055 1.00 0.00 N ATOM 0 H ASN A 37 -11.375 -7.670 2.259 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.469 -7.862 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.634 -10.041 2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.254 -9.500 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.494 -11.093 -0.550 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.247 -11.010 -0.343 1.00 0.00 H new ATOM 514 N VAL A 38 -8.187 -6.039 1.116 1.00 0.00 N ATOM 515 CA VAL A 38 -7.842 -5.100 0.055 1.00 0.00 C ATOM 516 C VAL A 38 -6.645 -5.595 -0.749 1.00 0.00 C ATOM 517 O VAL A 38 -5.836 -6.382 -0.259 1.00 0.00 O ATOM 518 CB VAL A 38 -7.524 -3.704 0.622 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.547 -3.310 1.676 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.115 -3.671 1.196 1.00 0.00 C ATOM 0 H VAL A 38 -7.728 -5.855 2.008 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.711 -5.029 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.578 -2.980 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.306 -2.321 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.541 -3.292 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.528 -4.035 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.907 -2.677 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.031 -4.406 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.397 -3.906 0.411 1.00 0.00 H new ATOM 530 N LYS A 39 -6.537 -5.127 -1.988 1.00 0.00 N ATOM 531 CA LYS A 39 -5.438 -5.519 -2.862 1.00 0.00 C ATOM 532 C LYS A 39 -4.512 -4.338 -3.136 1.00 0.00 C ATOM 533 O LYS A 39 -4.889 -3.389 -3.822 1.00 0.00 O ATOM 534 CB LYS A 39 -5.981 -6.072 -4.182 1.00 0.00 C ATOM 535 CG LYS A 39 -6.612 -7.447 -4.052 1.00 0.00 C ATOM 536 CD LYS A 39 -7.311 -7.863 -5.335 1.00 0.00 C ATOM 537 CE LYS A 39 -6.359 -8.579 -6.281 1.00 0.00 C ATOM 538 NZ LYS A 39 -6.894 -8.633 -7.670 1.00 0.00 N ATOM 0 H LYS A 39 -7.198 -4.475 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.866 -6.297 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.721 -5.378 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.169 -6.121 -4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.844 -8.179 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.329 -7.443 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.150 -8.517 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.722 -6.982 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.396 -8.068 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.182 -9.592 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.216 -9.129 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.801 -9.142 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.039 -7.666 -8.024 1.00 0.00 H new ATOM 552 N TRP A 40 -3.301 -4.405 -2.596 1.00 0.00 N ATOM 553 CA TRP A 40 -2.321 -3.341 -2.783 1.00 0.00 C ATOM 554 C TRP A 40 -1.538 -3.544 -4.076 1.00 0.00 C ATOM 555 O TRP A 40 -1.055 -4.641 -4.355 1.00 0.00 O ATOM 556 CB TRP A 40 -1.361 -3.288 -1.594 1.00 0.00 C ATOM 557 CG TRP A 40 -2.041 -2.980 -0.294 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.736 -3.853 0.494 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.093 -1.711 0.366 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.216 -3.202 1.605 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.835 -1.888 1.550 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.583 -0.443 0.074 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.079 -0.843 2.438 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.826 0.592 0.956 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.568 0.387 2.127 1.00 0.00 C ATOM 0 H TRP A 40 -2.974 -5.184 -2.025 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.858 -2.395 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.847 -4.245 -1.509 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.599 -2.532 -1.785 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.886 -4.900 0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.767 -3.629 2.350 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.009 -0.275 -0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.652 -0.999 3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.437 1.576 0.739 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.740 1.216 2.797 1.00 0.00 H new ATOM 576 N PHE A 41 -1.416 -2.479 -4.862 1.00 0.00 N ATOM 577 CA PHE A 41 -0.692 -2.541 -6.126 1.00 0.00 C ATOM 578 C PHE A 41 0.388 -1.464 -6.188 1.00 0.00 C ATOM 579 O PHE A 41 0.183 -0.336 -5.738 1.00 0.00 O ATOM 580 CB PHE A 41 -1.659 -2.378 -7.300 1.00 0.00 C ATOM 581 CG PHE A 41 -2.736 -3.424 -7.339 1.00 0.00 C ATOM 582 CD1 PHE A 41 -3.807 -3.366 -6.461 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.679 -4.463 -8.253 1.00 0.00 C ATOM 584 CE1 PHE A 41 -4.799 -4.328 -6.494 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.669 -5.427 -8.291 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.731 -5.359 -7.411 1.00 0.00 C ATOM 0 H PHE A 41 -1.809 -1.563 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.211 -3.517 -6.193 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.122 -1.393 -7.245 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.095 -2.413 -8.232 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.867 -2.561 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.851 -4.521 -8.944 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.627 -4.274 -5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.612 -6.232 -9.008 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.507 -6.110 -7.440 1.00 0.00 H new ATOM 596 N LYS A 42 1.539 -1.820 -6.748 1.00 0.00 N ATOM 597 CA LYS A 42 2.652 -0.886 -6.871 1.00 0.00 C ATOM 598 C LYS A 42 2.738 -0.325 -8.287 1.00 0.00 C ATOM 599 O LYS A 42 3.380 -0.910 -9.158 1.00 0.00 O ATOM 600 CB LYS A 42 3.967 -1.577 -6.504 1.00 0.00 C ATOM 601 CG LYS A 42 5.121 -0.613 -6.291 1.00 0.00 C ATOM 602 CD LYS A 42 6.453 -1.249 -6.655 1.00 0.00 C ATOM 603 CE LYS A 42 7.505 -0.197 -6.969 1.00 0.00 C ATOM 604 NZ LYS A 42 8.878 -0.776 -6.992 1.00 0.00 N ATOM 0 H LYS A 42 1.726 -2.750 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 42 2.478 -0.060 -6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.820 -2.161 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.232 -2.279 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.966 0.281 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.142 -0.293 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.796 -1.874 -5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.322 -1.903 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.286 0.258 -7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.458 0.597 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.579 -0.008 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.011 -1.388 -6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.004 -1.337 -7.859 1.00 0.00 H new ATOM 618 N ASN A 43 2.087 0.812 -8.509 1.00 0.00 N ATOM 619 CA ASN A 43 2.091 1.452 -9.819 1.00 0.00 C ATOM 620 C ASN A 43 1.313 0.620 -10.833 1.00 0.00 C ATOM 621 O ASN A 43 1.659 0.577 -12.013 1.00 0.00 O ATOM 622 CB ASN A 43 3.528 1.656 -10.305 1.00 0.00 C ATOM 623 CG ASN A 43 3.667 2.871 -11.202 1.00 0.00 C ATOM 624 OD1 ASN A 43 2.709 3.291 -11.852 1.00 0.00 O ATOM 625 ND2 ASN A 43 4.865 3.443 -11.241 1.00 0.00 N ATOM 0 H ASN A 43 1.550 1.309 -7.798 1.00 0.00 H new ATOM 0 HA ASN A 43 1.605 2.423 -9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.188 1.766 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.855 0.768 -10.847 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.019 4.264 -11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.631 3.061 -10.686 1.00 0.00 H new ATOM 632 N GLY A 44 0.257 -0.039 -10.365 1.00 0.00 N ATOM 633 CA GLY A 44 -0.554 -0.861 -11.243 1.00 0.00 C ATOM 634 C GLY A 44 -0.274 -2.341 -11.076 1.00 0.00 C ATOM 635 O GLY A 44 -1.152 -3.174 -11.298 1.00 0.00 O ATOM 0 H GLY A 44 -0.051 -0.018 -9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.608 -0.669 -11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.368 -0.574 -12.278 1.00 0.00 H new ATOM 639 N GLU A 45 0.953 -2.669 -10.684 1.00 0.00 N ATOM 640 CA GLU A 45 1.346 -4.060 -10.490 1.00 0.00 C ATOM 641 C GLU A 45 0.797 -4.601 -9.173 1.00 0.00 C ATOM 642 O GLU A 45 0.707 -3.877 -8.182 1.00 0.00 O ATOM 643 CB GLU A 45 2.871 -4.190 -10.511 1.00 0.00 C ATOM 644 CG GLU A 45 3.522 -3.941 -9.162 1.00 0.00 C ATOM 645 CD GLU A 45 5.016 -3.704 -9.270 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.442 -3.023 -10.225 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.759 -4.201 -8.397 1.00 0.00 O ATOM 0 H GLU A 45 1.691 -1.991 -10.495 1.00 0.00 H new ATOM 0 HA GLU A 45 0.927 -4.647 -11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.137 -5.190 -10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.277 -3.485 -11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.054 -3.077 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.340 -4.796 -8.511 1.00 0.00 H new ATOM 654 N GLU A 46 0.432 -5.880 -9.172 1.00 0.00 N ATOM 655 CA GLU A 46 -0.109 -6.518 -7.978 1.00 0.00 C ATOM 656 C GLU A 46 1.012 -6.951 -7.037 1.00 0.00 C ATOM 657 O GLU A 46 1.992 -7.563 -7.462 1.00 0.00 O ATOM 658 CB GLU A 46 -0.963 -7.728 -8.362 1.00 0.00 C ATOM 659 CG GLU A 46 -1.385 -8.577 -7.174 1.00 0.00 C ATOM 660 CD GLU A 46 -2.356 -9.676 -7.559 1.00 0.00 C ATOM 661 OE1 GLU A 46 -1.935 -10.624 -8.254 1.00 0.00 O ATOM 662 OE2 GLU A 46 -3.537 -9.589 -7.163 1.00 0.00 O ATOM 0 H GLU A 46 0.501 -6.493 -9.984 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.734 -5.791 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.854 -7.382 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.404 -8.349 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.501 -9.022 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.845 -7.938 -6.421 1.00 0.00 H new ATOM 669 N ILE A 47 0.859 -6.628 -5.757 1.00 0.00 N ATOM 670 CA ILE A 47 1.857 -6.983 -4.756 1.00 0.00 C ATOM 671 C ILE A 47 1.546 -8.336 -4.126 1.00 0.00 C ATOM 672 O ILE A 47 0.399 -8.622 -3.780 1.00 0.00 O ATOM 673 CB ILE A 47 1.944 -5.920 -3.645 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.500 -4.609 -4.205 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.808 -6.421 -2.498 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.619 -3.512 -3.171 1.00 0.00 C ATOM 0 H ILE A 47 0.054 -6.121 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 47 2.816 -7.036 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 47 0.940 -5.733 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.482 -4.796 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.855 -4.266 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.859 -5.658 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.373 -7.331 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.812 -6.634 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.020 -2.613 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.635 -3.297 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.288 -3.835 -2.373 1.00 0.00 H new ATOM 688 N ILE A 48 2.575 -9.164 -3.978 1.00 0.00 N ATOM 689 CA ILE A 48 2.411 -10.486 -3.386 1.00 0.00 C ATOM 690 C ILE A 48 3.291 -10.648 -2.151 1.00 0.00 C ATOM 691 O ILE A 48 4.444 -11.071 -2.230 1.00 0.00 O ATOM 692 CB ILE A 48 2.752 -11.600 -4.394 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.857 -11.490 -5.630 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.601 -12.967 -3.744 1.00 0.00 C ATOM 695 CD1 ILE A 48 2.393 -10.545 -6.683 1.00 0.00 C ATOM 0 H ILE A 48 3.530 -8.943 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 48 1.364 -10.575 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 48 3.789 -11.481 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.736 -12.480 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.867 -11.154 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.845 -13.744 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.276 -13.041 -2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.573 -13.097 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.707 -10.517 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.488 -9.545 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.370 -10.891 -7.019 1.00 0.00 H new ATOM 707 N PRO A 49 2.734 -10.305 -0.980 1.00 0.00 N ATOM 708 CA PRO A 49 3.449 -10.406 0.296 1.00 0.00 C ATOM 709 C PRO A 49 3.681 -11.853 0.718 1.00 0.00 C ATOM 710 O PRO A 49 3.409 -12.782 -0.041 1.00 0.00 O ATOM 711 CB PRO A 49 2.513 -9.705 1.284 1.00 0.00 C ATOM 712 CG PRO A 49 1.158 -9.834 0.678 1.00 0.00 C ATOM 713 CD PRO A 49 1.364 -9.794 -0.811 1.00 0.00 C ATOM 0 HA PRO A 49 4.443 -9.963 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.553 -10.173 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.789 -8.659 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.682 -10.767 0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.506 -9.023 1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.636 -10.415 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.261 -8.782 -1.204 1.00 0.00 H new ATOM 721 N GLY A 50 4.184 -12.037 1.935 1.00 0.00 N ATOM 722 CA GLY A 50 4.443 -13.374 2.436 1.00 0.00 C ATOM 723 C GLY A 50 5.601 -13.412 3.414 1.00 0.00 C ATOM 724 O GLY A 50 6.066 -12.381 3.899 1.00 0.00 O ATOM 0 H GLY A 50 4.417 -11.284 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.546 -13.756 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.657 -14.038 1.598 1.00 0.00 H new ATOM 775 N ARG A 54 9.075 -8.389 0.738 1.00 0.00 N ATOM 776 CA ARG A 54 9.365 -7.085 1.324 1.00 0.00 C ATOM 777 C ARG A 54 8.076 -6.363 1.708 1.00 0.00 C ATOM 778 O ARG A 54 8.074 -5.503 2.588 1.00 0.00 O ATOM 779 CB ARG A 54 10.169 -6.229 0.343 1.00 0.00 C ATOM 780 CG ARG A 54 9.368 -5.774 -0.866 1.00 0.00 C ATOM 781 CD ARG A 54 9.306 -6.856 -1.932 1.00 0.00 C ATOM 782 NE ARG A 54 9.148 -6.295 -3.272 1.00 0.00 N ATOM 783 CZ ARG A 54 8.948 -7.033 -4.358 1.00 0.00 C ATOM 784 NH1 ARG A 54 8.880 -8.354 -4.264 1.00 0.00 N ATOM 785 NH2 ARG A 54 8.814 -6.450 -5.543 1.00 0.00 N ATOM 0 HA ARG A 54 9.956 -7.243 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.550 -5.352 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.034 -6.798 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.357 -5.509 -0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.819 -4.874 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.216 -7.455 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.474 -7.527 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 54 9.194 -5.282 -3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.981 -8.807 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.726 -8.918 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.865 -5.434 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.660 -7.018 -6.376 1.00 0.00 H new ATOM 799 N TYR A 55 6.984 -6.719 1.041 1.00 0.00 N ATOM 800 CA TYR A 55 5.690 -6.103 1.311 1.00 0.00 C ATOM 801 C TYR A 55 4.890 -6.932 2.311 1.00 0.00 C ATOM 802 O TYR A 55 4.839 -8.159 2.219 1.00 0.00 O ATOM 803 CB TYR A 55 4.896 -5.946 0.013 1.00 0.00 C ATOM 804 CG TYR A 55 5.580 -5.070 -1.013 1.00 0.00 C ATOM 805 CD1 TYR A 55 5.630 -3.691 -0.855 1.00 0.00 C ATOM 806 CD2 TYR A 55 6.176 -5.622 -2.140 1.00 0.00 C ATOM 807 CE1 TYR A 55 6.253 -2.886 -1.789 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.803 -4.826 -3.079 1.00 0.00 C ATOM 809 CZ TYR A 55 6.839 -3.459 -2.899 1.00 0.00 C ATOM 810 OH TYR A 55 7.461 -2.662 -3.833 1.00 0.00 O ATOM 0 H TYR A 55 6.969 -7.430 0.310 1.00 0.00 H new ATOM 0 HA TYR A 55 5.868 -5.118 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.724 -6.932 -0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.918 -5.525 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.174 -3.240 0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.149 -6.692 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.281 -1.815 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.262 -5.272 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 55 7.278 -1.720 -3.634 1.00 0.00 H new ATOM 820 N ARG A 56 4.266 -6.252 3.268 1.00 0.00 N ATOM 821 CA ARG A 56 3.468 -6.924 4.287 1.00 0.00 C ATOM 822 C ARG A 56 2.136 -6.210 4.492 1.00 0.00 C ATOM 823 O ARG A 56 2.079 -5.146 5.110 1.00 0.00 O ATOM 824 CB ARG A 56 4.236 -6.983 5.608 1.00 0.00 C ATOM 825 CG ARG A 56 5.713 -7.301 5.441 1.00 0.00 C ATOM 826 CD ARG A 56 6.544 -6.694 6.560 1.00 0.00 C ATOM 827 NE ARG A 56 5.873 -6.790 7.854 1.00 0.00 N ATOM 828 CZ ARG A 56 6.461 -6.499 9.009 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.723 -6.095 9.032 1.00 0.00 N ATOM 830 NH2 ARG A 56 5.784 -6.610 10.145 1.00 0.00 N ATOM 0 H ARG A 56 4.298 -5.237 3.359 1.00 0.00 H new ATOM 0 HA ARG A 56 3.267 -7.939 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.135 -6.026 6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.781 -7.738 6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.854 -8.382 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.062 -6.921 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.507 -7.202 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.747 -5.647 6.334 1.00 0.00 H new ATOM 0 HE ARG A 56 4.900 -7.097 7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.246 -6.007 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.171 -5.872 9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.812 -6.919 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.236 -6.387 11.032 1.00 0.00 H new ATOM 844 N ILE A 57 1.066 -6.801 3.970 1.00 0.00 N ATOM 845 CA ILE A 57 -0.265 -6.222 4.097 1.00 0.00 C ATOM 846 C ILE A 57 -0.934 -6.662 5.395 1.00 0.00 C ATOM 847 O ILE A 57 -1.313 -7.823 5.548 1.00 0.00 O ATOM 848 CB ILE A 57 -1.165 -6.614 2.911 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.557 -6.120 1.596 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.565 -6.049 3.098 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.169 -6.758 0.369 1.00 0.00 C ATOM 0 H ILE A 57 1.096 -7.681 3.455 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.139 -5.139 4.104 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.235 -7.701 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.679 -5.039 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.515 -6.320 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.189 -6.335 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.997 -6.445 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.513 -4.962 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.689 -6.360 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.024 -7.838 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.236 -6.537 0.338 1.00 0.00 H new ATOM 863 N ARG A 58 -1.078 -5.725 6.327 1.00 0.00 N ATOM 864 CA ARG A 58 -1.702 -6.016 7.612 1.00 0.00 C ATOM 865 C ARG A 58 -3.057 -5.322 7.728 1.00 0.00 C ATOM 866 O ARG A 58 -3.218 -4.177 7.307 1.00 0.00 O ATOM 867 CB ARG A 58 -0.791 -5.572 8.758 1.00 0.00 C ATOM 868 CG ARG A 58 -1.470 -5.591 10.118 1.00 0.00 C ATOM 869 CD ARG A 58 -0.694 -4.773 11.139 1.00 0.00 C ATOM 870 NE ARG A 58 0.523 -5.453 11.574 1.00 0.00 N ATOM 871 CZ ARG A 58 1.462 -4.877 12.315 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.325 -3.616 12.702 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.542 -5.561 12.672 1.00 0.00 N ATOM 0 H ARG A 58 -0.771 -4.759 6.216 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.857 -7.093 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.083 -6.222 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.431 -4.563 8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.482 -5.196 10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.560 -6.620 10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.435 -3.806 10.707 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.328 -4.576 12.003 1.00 0.00 H new ATOM 0 HE ARG A 58 0.659 -6.424 11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.497 -3.086 12.430 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.048 -3.176 13.271 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.652 -6.531 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.262 -5.116 13.241 1.00 0.00 H new ATOM 887 N VAL A 59 -4.029 -6.025 8.300 1.00 0.00 N ATOM 888 CA VAL A 59 -5.369 -5.478 8.472 1.00 0.00 C ATOM 889 C VAL A 59 -5.717 -5.327 9.948 1.00 0.00 C ATOM 890 O VAL A 59 -5.552 -6.261 10.733 1.00 0.00 O ATOM 891 CB VAL A 59 -6.429 -6.366 7.794 1.00 0.00 C ATOM 892 CG1 VAL A 59 -6.325 -7.799 8.295 1.00 0.00 C ATOM 893 CG2 VAL A 59 -7.824 -5.809 8.035 1.00 0.00 C ATOM 0 H VAL A 59 -3.913 -6.975 8.652 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.372 -4.496 7.999 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.243 -6.367 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.082 -8.412 7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.335 -8.193 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.484 -7.820 9.373 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.560 -6.449 7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.023 -5.776 9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.890 -4.802 7.623 1.00 0.00 H new ATOM 903 N GLU A 60 -6.199 -4.145 10.320 1.00 0.00 N ATOM 904 CA GLU A 60 -6.569 -3.873 11.704 1.00 0.00 C ATOM 905 C GLU A 60 -7.942 -3.210 11.779 1.00 0.00 C ATOM 906 O GLU A 60 -8.095 -2.035 11.450 1.00 0.00 O ATOM 907 CB GLU A 60 -5.522 -2.978 12.369 1.00 0.00 C ATOM 908 CG GLU A 60 -4.243 -3.710 12.740 1.00 0.00 C ATOM 909 CD GLU A 60 -3.551 -3.101 13.944 1.00 0.00 C ATOM 910 OE1 GLU A 60 -4.221 -2.905 14.979 1.00 0.00 O ATOM 911 OE2 GLU A 60 -2.337 -2.821 13.851 1.00 0.00 O ATOM 0 H GLU A 60 -6.342 -3.361 9.683 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.613 -4.824 12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.278 -2.156 11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.952 -2.536 13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.474 -4.755 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.562 -3.698 11.889 1.00 0.00 H new ATOM 918 N GLY A 61 -8.939 -3.975 12.215 1.00 0.00 N ATOM 919 CA GLY A 61 -10.286 -3.446 12.325 1.00 0.00 C ATOM 920 C GLY A 61 -10.857 -3.031 10.984 1.00 0.00 C ATOM 921 O GLY A 61 -11.154 -3.876 10.139 1.00 0.00 O ATOM 0 H GLY A 61 -8.838 -4.951 12.494 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.933 -4.199 12.775 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.282 -2.587 12.996 1.00 0.00 H new ATOM 925 N LYS A 62 -11.014 -1.727 10.787 1.00 0.00 N ATOM 926 CA LYS A 62 -11.555 -1.200 9.540 1.00 0.00 C ATOM 927 C LYS A 62 -10.509 -0.373 8.799 1.00 0.00 C ATOM 928 O LYS A 62 -10.832 0.375 7.877 1.00 0.00 O ATOM 929 CB LYS A 62 -12.793 -0.345 9.817 1.00 0.00 C ATOM 930 CG LYS A 62 -13.802 -1.015 10.733 1.00 0.00 C ATOM 931 CD LYS A 62 -15.039 -0.153 10.926 1.00 0.00 C ATOM 932 CE LYS A 62 -16.057 -0.384 9.819 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.004 -1.483 10.157 1.00 0.00 N ATOM 0 H LYS A 62 -10.774 -1.014 11.476 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.838 -2.044 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.480 0.599 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.277 -0.105 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.091 -1.979 10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.341 -1.213 11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.493 -0.377 11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.752 0.898 10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.616 0.535 9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.537 -0.625 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.082 -2.135 9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.653 -2.001 10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.940 -1.082 10.370 1.00 0.00 H new ATOM 947 N LYS A 63 -9.252 -0.514 9.208 1.00 0.00 N ATOM 948 CA LYS A 63 -8.157 0.217 8.583 1.00 0.00 C ATOM 949 C LYS A 63 -6.992 -0.715 8.264 1.00 0.00 C ATOM 950 O LYS A 63 -6.614 -1.554 9.082 1.00 0.00 O ATOM 951 CB LYS A 63 -7.683 1.348 9.498 1.00 0.00 C ATOM 952 CG LYS A 63 -6.631 0.915 10.506 1.00 0.00 C ATOM 953 CD LYS A 63 -6.719 1.726 11.787 1.00 0.00 C ATOM 954 CE LYS A 63 -6.471 3.205 11.530 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.681 3.885 10.992 1.00 0.00 N ATOM 0 H LYS A 63 -8.967 -1.129 9.970 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.525 0.643 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.278 2.154 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.541 1.755 10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.759 -0.143 10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.639 1.029 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.704 1.594 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.989 1.353 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.165 3.688 12.458 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.647 3.318 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.763 4.832 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.600 3.971 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.526 3.327 11.228 1.00 0.00 H new ATOM 969 N HIS A 64 -6.427 -0.561 7.070 1.00 0.00 N ATOM 970 CA HIS A 64 -5.304 -1.388 6.645 1.00 0.00 C ATOM 971 C HIS A 64 -3.992 -0.615 6.742 1.00 0.00 C ATOM 972 O HIS A 64 -3.987 0.616 6.772 1.00 0.00 O ATOM 973 CB HIS A 64 -5.517 -1.876 5.212 1.00 0.00 C ATOM 974 CG HIS A 64 -6.537 -2.967 5.096 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.263 -4.197 4.536 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.836 -3.008 5.473 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.350 -4.947 4.573 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.319 -4.249 5.137 1.00 0.00 N ATOM 0 H HIS A 64 -6.728 0.128 6.381 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.247 -2.250 7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.826 -1.034 4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.567 -2.234 4.814 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.390 -2.213 5.950 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.432 -5.959 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.271 -4.578 5.297 1.00 0.00 H new ATOM 987 N ILE A 65 -2.883 -1.345 6.790 1.00 0.00 N ATOM 988 CA ILE A 65 -1.566 -0.726 6.884 1.00 0.00 C ATOM 989 C ILE A 65 -0.544 -1.481 6.041 1.00 0.00 C ATOM 990 O ILE A 65 -0.128 -2.587 6.391 1.00 0.00 O ATOM 991 CB ILE A 65 -1.072 -0.671 8.341 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.995 0.214 9.182 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.358 -0.156 8.396 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.134 -0.543 9.828 1.00 0.00 C ATOM 0 H ILE A 65 -2.870 -2.365 6.765 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.667 0.291 6.505 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.091 -1.680 8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.407 0.703 9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.405 1.001 8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.693 -0.123 9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.007 -0.821 7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.401 0.846 7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.747 0.147 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.745 -1.010 9.055 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.732 -1.313 10.487 1.00 0.00 H new ATOM 1006 N LEU A 66 -0.140 -0.877 4.929 1.00 0.00 N ATOM 1007 CA LEU A 66 0.837 -1.491 4.036 1.00 0.00 C ATOM 1008 C LEU A 66 2.249 -1.019 4.366 1.00 0.00 C ATOM 1009 O LEU A 66 2.631 0.104 4.038 1.00 0.00 O ATOM 1010 CB LEU A 66 0.504 -1.160 2.580 1.00 0.00 C ATOM 1011 CG LEU A 66 1.534 -1.601 1.539 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.557 -3.116 1.419 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.237 -0.961 0.191 1.00 0.00 C ATOM 0 H LEU A 66 -0.474 0.037 4.624 1.00 0.00 H new ATOM 0 HA LEU A 66 0.793 -2.571 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.453 -1.621 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.370 -0.082 2.495 1.00 0.00 H new ATOM 0 HG LEU A 66 2.519 -1.269 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.296 -3.411 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.819 -3.553 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.573 -3.472 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.980 -1.286 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.244 -1.262 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.274 0.124 0.287 1.00 0.00 H new ATOM 1025 N ILE A 67 3.020 -1.886 5.015 1.00 0.00 N ATOM 1026 CA ILE A 67 4.391 -1.559 5.387 1.00 0.00 C ATOM 1027 C ILE A 67 5.371 -1.982 4.298 1.00 0.00 C ATOM 1028 O ILE A 67 5.204 -3.029 3.672 1.00 0.00 O ATOM 1029 CB ILE A 67 4.791 -2.232 6.713 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.195 -1.791 7.131 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.723 -3.746 6.579 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.296 -2.649 6.548 1.00 0.00 C ATOM 0 H ILE A 67 2.718 -2.820 5.294 1.00 0.00 H new ATOM 0 HA ILE A 67 4.435 -0.477 5.512 1.00 0.00 H new ATOM 0 HB ILE A 67 4.089 -1.923 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.349 -0.757 6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.265 -1.813 8.219 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.008 -4.208 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.706 -4.043 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.406 -4.073 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.264 -2.279 6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.167 -3.680 6.877 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.252 -2.607 5.460 1.00 0.00 H new ATOM 1044 N ILE A 68 6.394 -1.163 4.080 1.00 0.00 N ATOM 1045 CA ILE A 68 7.403 -1.454 3.069 1.00 0.00 C ATOM 1046 C ILE A 68 8.809 -1.358 3.652 1.00 0.00 C ATOM 1047 O ILE A 68 9.341 -0.264 3.835 1.00 0.00 O ATOM 1048 CB ILE A 68 7.291 -0.496 1.869 1.00 0.00 C ATOM 1049 CG1 ILE A 68 5.876 -0.535 1.288 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.316 -0.857 0.805 1.00 0.00 C ATOM 1051 CD1 ILE A 68 5.653 0.460 0.171 1.00 0.00 C ATOM 0 H ILE A 68 6.546 -0.293 4.590 1.00 0.00 H new ATOM 0 HA ILE A 68 7.222 -2.473 2.728 1.00 0.00 H new ATOM 0 HB ILE A 68 7.495 0.518 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.673 -1.539 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.159 -0.340 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.224 -0.171 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.319 -0.783 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.141 -1.877 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.629 0.376 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.824 1.470 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.345 0.252 -0.645 1.00 0.00 H new ATOM 1063 N GLU A 69 9.405 -2.511 3.939 1.00 0.00 N ATOM 1064 CA GLU A 69 10.750 -2.556 4.500 1.00 0.00 C ATOM 1065 C GLU A 69 11.793 -2.210 3.442 1.00 0.00 C ATOM 1066 O GLU A 69 11.806 -2.787 2.355 1.00 0.00 O ATOM 1067 CB GLU A 69 11.038 -3.941 5.082 1.00 0.00 C ATOM 1068 CG GLU A 69 10.750 -4.049 6.570 1.00 0.00 C ATOM 1069 CD GLU A 69 11.253 -2.849 7.350 1.00 0.00 C ATOM 1070 OE1 GLU A 69 12.355 -2.355 7.034 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.543 -2.404 8.276 1.00 0.00 O ATOM 0 H GLU A 69 8.978 -3.426 3.792 1.00 0.00 H new ATOM 0 HA GLU A 69 10.808 -1.816 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.439 -4.681 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.084 -4.190 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.676 -4.152 6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.215 -4.953 6.962 1.00 0.00 H new ATOM 1078 N GLY A 70 12.667 -1.261 3.767 1.00 0.00 N ATOM 1079 CA GLY A 70 13.701 -0.854 2.834 1.00 0.00 C ATOM 1080 C GLY A 70 13.137 -0.153 1.614 1.00 0.00 C ATOM 1081 O GLY A 70 13.030 -0.749 0.543 1.00 0.00 O ATOM 0 H GLY A 70 12.677 -0.767 4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.401 -0.189 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.266 -1.731 2.517 1.00 0.00 H new ATOM 1085 N ALA A 71 12.776 1.115 1.776 1.00 0.00 N ATOM 1086 CA ALA A 71 12.220 1.897 0.678 1.00 0.00 C ATOM 1087 C ALA A 71 13.326 2.468 -0.204 1.00 0.00 C ATOM 1088 O ALA A 71 13.823 3.568 0.038 1.00 0.00 O ATOM 1089 CB ALA A 71 11.344 3.017 1.219 1.00 0.00 C ATOM 0 H ALA A 71 12.858 1.623 2.657 1.00 0.00 H new ATOM 0 HA ALA A 71 11.608 1.234 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.935 3.593 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.527 2.591 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.941 3.671 1.855 1.00 0.00 H new ATOM 1095 N THR A 72 13.709 1.712 -1.228 1.00 0.00 N ATOM 1096 CA THR A 72 14.757 2.141 -2.145 1.00 0.00 C ATOM 1097 C THR A 72 14.211 3.107 -3.190 1.00 0.00 C ATOM 1098 O THR A 72 13.018 3.409 -3.210 1.00 0.00 O ATOM 1099 CB THR A 72 15.403 0.940 -2.861 1.00 0.00 C ATOM 1100 OG1 THR A 72 14.390 0.028 -3.301 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.375 0.219 -1.939 1.00 0.00 C ATOM 0 H THR A 72 13.309 0.799 -1.443 1.00 0.00 H new ATOM 0 HA THR A 72 15.514 2.647 -1.546 1.00 0.00 H new ATOM 0 HB THR A 72 15.954 1.314 -3.724 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.531 0.496 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.819 -0.625 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.161 0.907 -1.629 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.842 -0.142 -1.059 1.00 0.00 H new ATOM 1109 N LYS A 73 15.092 3.590 -4.060 1.00 0.00 N ATOM 1110 CA LYS A 73 14.700 4.522 -5.111 1.00 0.00 C ATOM 1111 C LYS A 73 13.622 3.913 -6.002 1.00 0.00 C ATOM 1112 O LYS A 73 12.760 4.621 -6.521 1.00 0.00 O ATOM 1113 CB LYS A 73 15.915 4.912 -5.955 1.00 0.00 C ATOM 1114 CG LYS A 73 16.676 6.108 -5.409 1.00 0.00 C ATOM 1115 CD LYS A 73 17.595 5.710 -4.266 1.00 0.00 C ATOM 1116 CE LYS A 73 18.115 6.928 -3.518 1.00 0.00 C ATOM 1117 NZ LYS A 73 17.035 7.613 -2.755 1.00 0.00 N ATOM 0 H LYS A 73 16.084 3.351 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 73 14.294 5.416 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.591 4.060 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.586 5.134 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.263 6.562 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.970 6.863 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.058 5.060 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.435 5.136 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.906 6.623 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.559 7.627 -4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.039 8.628 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.114 7.204 -3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.196 7.487 -1.735 1.00 0.00 H new ATOM 1131 N ALA A 74 13.677 2.596 -6.175 1.00 0.00 N ATOM 1132 CA ALA A 74 12.704 1.893 -7.001 1.00 0.00 C ATOM 1133 C ALA A 74 11.365 1.764 -6.282 1.00 0.00 C ATOM 1134 O ALA A 74 10.308 1.778 -6.913 1.00 0.00 O ATOM 1135 CB ALA A 74 13.233 0.519 -7.386 1.00 0.00 C ATOM 0 H ALA A 74 14.385 1.995 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 74 12.545 2.476 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.496 0.005 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.161 0.630 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.422 -0.064 -6.485 1.00 0.00 H new ATOM 1141 N ASP A 75 11.418 1.638 -4.961 1.00 0.00 N ATOM 1142 CA ASP A 75 10.209 1.507 -4.156 1.00 0.00 C ATOM 1143 C ASP A 75 9.306 2.724 -4.330 1.00 0.00 C ATOM 1144 O ASP A 75 8.084 2.623 -4.222 1.00 0.00 O ATOM 1145 CB ASP A 75 10.570 1.330 -2.681 1.00 0.00 C ATOM 1146 CG ASP A 75 11.255 0.006 -2.407 1.00 0.00 C ATOM 1147 OD1 ASP A 75 11.936 -0.510 -3.318 1.00 0.00 O ATOM 1148 OD2 ASP A 75 11.111 -0.514 -1.281 1.00 0.00 O ATOM 0 H ASP A 75 12.285 1.624 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 75 9.668 0.624 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.223 2.145 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.665 1.399 -2.078 1.00 0.00 H new ATOM 1153 N ALA A 76 9.916 3.874 -4.599 1.00 0.00 N ATOM 1154 CA ALA A 76 9.168 5.110 -4.789 1.00 0.00 C ATOM 1155 C ALA A 76 8.283 5.032 -6.029 1.00 0.00 C ATOM 1156 O ALA A 76 8.705 5.392 -7.127 1.00 0.00 O ATOM 1157 CB ALA A 76 10.119 6.293 -4.890 1.00 0.00 C ATOM 0 H ALA A 76 10.927 3.975 -4.690 1.00 0.00 H new ATOM 0 HA ALA A 76 8.522 5.251 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.546 7.209 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.704 6.369 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.789 6.150 -5.737 1.00 0.00 H new ATOM 1163 N ALA A 77 7.055 4.558 -5.845 1.00 0.00 N ATOM 1164 CA ALA A 77 6.111 4.434 -6.949 1.00 0.00 C ATOM 1165 C ALA A 77 4.689 4.741 -6.492 1.00 0.00 C ATOM 1166 O ALA A 77 4.431 4.898 -5.299 1.00 0.00 O ATOM 1167 CB ALA A 77 6.185 3.039 -7.551 1.00 0.00 C ATOM 0 H ALA A 77 6.691 4.254 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 77 6.384 5.162 -7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.475 2.960 -8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.193 2.856 -7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.940 2.300 -6.788 1.00 0.00 H new ATOM 1173 N GLU A 78 3.770 4.826 -7.449 1.00 0.00 N ATOM 1174 CA GLU A 78 2.374 5.116 -7.143 1.00 0.00 C ATOM 1175 C GLU A 78 1.671 3.881 -6.589 1.00 0.00 C ATOM 1176 O GLU A 78 1.276 2.989 -7.340 1.00 0.00 O ATOM 1177 CB GLU A 78 1.648 5.612 -8.395 1.00 0.00 C ATOM 1178 CG GLU A 78 0.201 6.004 -8.144 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.423 6.720 -9.326 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.645 6.065 -10.366 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -0.689 7.935 -9.211 1.00 0.00 O ATOM 0 H GLU A 78 3.967 4.698 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 78 2.349 5.898 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.184 6.471 -8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.678 4.831 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.380 5.110 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.150 6.648 -7.266 1.00 0.00 H new ATOM 1188 N TYR A 79 1.518 3.836 -5.270 1.00 0.00 N ATOM 1189 CA TYR A 79 0.865 2.710 -4.614 1.00 0.00 C ATOM 1190 C TYR A 79 -0.646 2.911 -4.562 1.00 0.00 C ATOM 1191 O TYR A 79 -1.138 3.844 -3.928 1.00 0.00 O ATOM 1192 CB TYR A 79 1.416 2.528 -3.199 1.00 0.00 C ATOM 1193 CG TYR A 79 2.828 1.989 -3.163 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.920 2.847 -3.182 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.070 0.622 -3.111 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.212 2.359 -3.150 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.358 0.125 -3.077 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.426 0.998 -3.097 1.00 0.00 C ATOM 1199 OH TYR A 79 6.711 0.507 -3.065 1.00 0.00 O ATOM 0 H TYR A 79 1.838 4.567 -4.634 1.00 0.00 H new ATOM 0 HA TYR A 79 1.074 1.812 -5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.389 3.487 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.763 1.850 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.756 3.914 -3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.236 -0.064 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.050 3.040 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.528 -0.941 -3.035 1.00 0.00 H new ATOM 0 HH TYR A 79 7.321 1.160 -3.468 1.00 0.00 H new ATOM 1209 N SER A 80 -1.378 2.028 -5.235 1.00 0.00 N ATOM 1210 CA SER A 80 -2.833 2.109 -5.269 1.00 0.00 C ATOM 1211 C SER A 80 -3.461 0.802 -4.794 1.00 0.00 C ATOM 1212 O SER A 80 -3.013 -0.285 -5.160 1.00 0.00 O ATOM 1213 CB SER A 80 -3.314 2.434 -6.684 1.00 0.00 C ATOM 1214 OG SER A 80 -2.786 3.671 -7.131 1.00 0.00 O ATOM 0 H SER A 80 -0.987 1.249 -5.764 1.00 0.00 H new ATOM 0 HA SER A 80 -3.144 2.907 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.012 1.639 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.403 2.472 -6.701 1.00 0.00 H new ATOM 0 HG SER A 80 -3.028 3.810 -8.070 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.503 0.916 -3.976 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.195 -0.255 -3.451 1.00 0.00 C ATOM 1222 C VAL A 81 -6.475 -0.533 -4.230 1.00 0.00 C ATOM 1223 O VAL A 81 -7.030 0.360 -4.870 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.541 -0.081 -1.961 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.398 0.598 -1.222 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.832 0.709 -1.803 1.00 0.00 C ATOM 0 H VAL A 81 -4.886 1.808 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.516 -1.100 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.689 -1.068 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.661 0.712 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.498 -0.011 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.215 1.580 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.062 0.823 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.714 1.693 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.646 0.178 -2.296 1.00 0.00 H new ATOM 1236 N MET A 82 -6.939 -1.777 -4.172 1.00 0.00 N ATOM 1237 CA MET A 82 -8.156 -2.171 -4.872 1.00 0.00 C ATOM 1238 C MET A 82 -9.033 -3.049 -3.984 1.00 0.00 C ATOM 1239 O MET A 82 -8.594 -4.089 -3.493 1.00 0.00 O ATOM 1240 CB MET A 82 -7.809 -2.917 -6.162 1.00 0.00 C ATOM 1241 CG MET A 82 -8.843 -2.740 -7.262 1.00 0.00 C ATOM 1242 SD MET A 82 -8.785 -4.061 -8.489 1.00 0.00 S ATOM 1243 CE MET A 82 -7.884 -3.255 -9.811 1.00 0.00 C ATOM 0 H MET A 82 -6.491 -2.529 -3.648 1.00 0.00 H new ATOM 0 HA MET A 82 -8.711 -1.267 -5.122 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.842 -2.569 -6.524 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.704 -3.979 -5.941 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.838 -2.705 -6.818 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.681 -1.782 -7.757 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.767 -3.946 -10.646 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.435 -2.375 -10.143 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.901 -2.952 -9.450 1.00 0.00 H new ATOM 1253 N THR A 83 -10.276 -2.622 -3.780 1.00 0.00 N ATOM 1254 CA THR A 83 -11.214 -3.368 -2.951 1.00 0.00 C ATOM 1255 C THR A 83 -12.392 -3.877 -3.774 1.00 0.00 C ATOM 1256 O THR A 83 -12.455 -3.663 -4.985 1.00 0.00 O ATOM 1257 CB THR A 83 -11.747 -2.505 -1.791 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.453 -1.372 -2.309 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.609 -2.035 -0.898 1.00 0.00 C ATOM 0 H THR A 83 -10.656 -1.763 -4.178 1.00 0.00 H new ATOM 0 HA THR A 83 -10.667 -4.217 -2.541 1.00 0.00 H new ATOM 0 HB THR A 83 -12.426 -3.115 -1.195 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.325 -1.301 -1.868 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.010 -1.428 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.092 -2.900 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.908 -1.440 -1.484 1.00 0.00 H new ATOM 1267 N THR A 84 -13.324 -4.552 -3.109 1.00 0.00 N ATOM 1268 CA THR A 84 -14.500 -5.092 -3.779 1.00 0.00 C ATOM 1269 C THR A 84 -15.292 -3.990 -4.474 1.00 0.00 C ATOM 1270 O THR A 84 -15.879 -4.207 -5.533 1.00 0.00 O ATOM 1271 CB THR A 84 -15.424 -5.827 -2.789 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.849 -4.929 -1.758 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.712 -7.019 -2.168 1.00 0.00 C ATOM 0 H THR A 84 -13.287 -4.738 -2.107 1.00 0.00 H new ATOM 0 HA THR A 84 -14.140 -5.802 -4.524 1.00 0.00 H new ATOM 0 HB THR A 84 -16.294 -6.189 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.738 -5.193 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.384 -7.522 -1.473 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.415 -7.714 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.827 -6.676 -1.633 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.304 -2.806 -3.869 1.00 0.00 N ATOM 1282 CA GLY A 85 -16.027 -1.687 -4.445 1.00 0.00 C ATOM 1283 C GLY A 85 -15.380 -0.353 -4.127 1.00 0.00 C ATOM 1284 O GLY A 85 -16.061 0.602 -3.757 1.00 0.00 O ATOM 0 H GLY A 85 -14.826 -2.602 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.082 -1.812 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.051 -1.689 -4.071 1.00 0.00 H new ATOM 1288 N GLY A 86 -14.060 -0.289 -4.269 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.343 0.941 -3.988 1.00 0.00 C ATOM 1290 C GLY A 86 -11.892 0.879 -4.424 1.00 0.00 C ATOM 1291 O GLY A 86 -11.337 -0.204 -4.602 1.00 0.00 O ATOM 0 H GLY A 86 -13.474 -1.067 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.837 1.770 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.389 1.149 -2.919 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.278 2.045 -4.598 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.884 2.118 -5.019 1.00 0.00 C ATOM 1297 C GLN A 87 -9.235 3.409 -4.530 1.00 0.00 C ATOM 1298 O GLN A 87 -9.904 4.429 -4.367 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.783 2.028 -6.542 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.419 3.205 -7.265 1.00 0.00 C ATOM 1301 CD GLN A 87 -9.466 4.371 -7.432 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -8.272 4.184 -7.664 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -9.990 5.586 -7.314 1.00 0.00 N ATOM 0 H GLN A 87 -11.724 2.951 -4.454 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.353 1.275 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.732 1.963 -6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.260 1.107 -6.876 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.765 2.880 -8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.298 3.535 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.986 5.695 -7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.397 6.409 -7.416 1.00 0.00 H new ATOM 1312 N SER A 88 -7.927 3.357 -4.298 1.00 0.00 N ATOM 1313 CA SER A 88 -7.188 4.521 -3.824 1.00 0.00 C ATOM 1314 C SER A 88 -5.770 4.530 -4.386 1.00 0.00 C ATOM 1315 O SER A 88 -5.248 3.495 -4.801 1.00 0.00 O ATOM 1316 CB SER A 88 -7.142 4.534 -2.294 1.00 0.00 C ATOM 1317 OG SER A 88 -6.733 5.800 -1.807 1.00 0.00 O ATOM 0 H SER A 88 -7.358 2.521 -4.431 1.00 0.00 H new ATOM 0 HA SER A 88 -7.704 5.415 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.126 4.288 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.454 3.766 -1.941 1.00 0.00 H new ATOM 0 HG SER A 88 -7.364 6.486 -2.109 1.00 0.00 H new ATOM 1323 N SER A 89 -5.152 5.707 -4.398 1.00 0.00 N ATOM 1324 CA SER A 89 -3.796 5.854 -4.913 1.00 0.00 C ATOM 1325 C SER A 89 -3.017 6.888 -4.106 1.00 0.00 C ATOM 1326 O SER A 89 -3.595 7.821 -3.550 1.00 0.00 O ATOM 1327 CB SER A 89 -3.829 6.260 -6.387 1.00 0.00 C ATOM 1328 OG SER A 89 -4.914 5.647 -7.061 1.00 0.00 O ATOM 0 H SER A 89 -5.569 6.573 -4.057 1.00 0.00 H new ATOM 0 HA SER A 89 -3.292 4.892 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.913 7.344 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.892 5.976 -6.867 1.00 0.00 H new ATOM 0 HG SER A 89 -4.646 4.757 -7.371 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.701 6.713 -4.046 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.841 7.632 -3.309 1.00 0.00 C ATOM 1336 C ALA A 90 0.465 7.879 -4.055 1.00 0.00 C ATOM 1337 O ALA A 90 0.669 7.369 -5.157 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.561 7.089 -1.916 1.00 0.00 C ATOM 0 H ALA A 90 -1.207 5.944 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.362 8.585 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.082 7.785 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.500 6.970 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.064 6.122 -1.995 1.00 0.00 H new ATOM 1344 N LYS A 91 1.348 8.666 -3.449 1.00 0.00 N ATOM 1345 CA LYS A 91 2.636 8.981 -4.055 1.00 0.00 C ATOM 1346 C LYS A 91 3.766 8.833 -3.041 1.00 0.00 C ATOM 1347 O LYS A 91 3.854 9.597 -2.079 1.00 0.00 O ATOM 1348 CB LYS A 91 2.624 10.405 -4.616 1.00 0.00 C ATOM 1349 CG LYS A 91 1.874 10.534 -5.931 1.00 0.00 C ATOM 1350 CD LYS A 91 2.204 11.840 -6.634 1.00 0.00 C ATOM 1351 CE LYS A 91 1.325 12.051 -7.858 1.00 0.00 C ATOM 1352 NZ LYS A 91 1.610 11.052 -8.925 1.00 0.00 N ATOM 0 H LYS A 91 1.195 9.098 -2.538 1.00 0.00 H new ATOM 0 HA LYS A 91 2.808 8.277 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.171 11.072 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.652 10.739 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.128 9.696 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.801 10.480 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.071 12.671 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.252 11.839 -6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.276 11.983 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.483 13.056 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.015 11.251 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.612 11.110 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.402 10.097 -8.571 1.00 0.00 H new ATOM 1366 N LEU A 92 4.628 7.847 -3.262 1.00 0.00 N ATOM 1367 CA LEU A 92 5.754 7.599 -2.368 1.00 0.00 C ATOM 1368 C LEU A 92 7.065 8.040 -3.010 1.00 0.00 C ATOM 1369 O LEU A 92 7.413 7.595 -4.104 1.00 0.00 O ATOM 1370 CB LEU A 92 5.824 6.115 -2.003 1.00 0.00 C ATOM 1371 CG LEU A 92 6.856 5.734 -0.941 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.402 6.195 0.435 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.098 4.231 -0.949 1.00 0.00 C ATOM 0 H LEU A 92 4.569 7.206 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 92 5.601 8.182 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.840 5.800 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.038 5.548 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 92 7.795 6.235 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.149 5.915 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.280 7.278 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.451 5.723 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.835 3.977 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.164 3.711 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.469 3.927 -1.928 1.00 0.00 H new ATOM 1385 N SER A 93 7.791 8.915 -2.321 1.00 0.00 N ATOM 1386 CA SER A 93 9.064 9.417 -2.824 1.00 0.00 C ATOM 1387 C SER A 93 10.209 9.018 -1.898 1.00 0.00 C ATOM 1388 O SER A 93 10.160 9.259 -0.692 1.00 0.00 O ATOM 1389 CB SER A 93 9.015 10.939 -2.967 1.00 0.00 C ATOM 1390 OG SER A 93 10.306 11.470 -3.211 1.00 0.00 O ATOM 0 H SER A 93 7.519 9.291 -1.413 1.00 0.00 H new ATOM 0 HA SER A 93 9.241 8.973 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.347 11.209 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.603 11.380 -2.059 1.00 0.00 H new ATOM 0 HG SER A 93 10.248 12.444 -3.300 1.00 0.00 H new ATOM 1396 N VAL A 94 11.240 8.406 -2.472 1.00 0.00 N ATOM 1397 CA VAL A 94 12.399 7.974 -1.700 1.00 0.00 C ATOM 1398 C VAL A 94 13.583 8.909 -1.917 1.00 0.00 C ATOM 1399 O VAL A 94 13.917 9.253 -3.050 1.00 0.00 O ATOM 1400 CB VAL A 94 12.818 6.539 -2.073 1.00 0.00 C ATOM 1401 CG1 VAL A 94 14.060 6.127 -1.297 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.674 5.568 -1.820 1.00 0.00 C ATOM 0 H VAL A 94 11.296 8.198 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 94 12.107 7.999 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 94 13.058 6.513 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.341 5.111 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.879 6.807 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.851 6.168 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.987 4.559 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.401 5.594 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.813 5.854 -2.425 1.00 0.00 H new ATOM 1412 N ASP A 95 14.215 9.317 -0.821 1.00 0.00 N ATOM 1413 CA ASP A 95 15.364 10.212 -0.890 1.00 0.00 C ATOM 1414 C ASP A 95 16.535 9.657 -0.085 1.00 0.00 C ATOM 1415 O ASP A 95 16.375 8.717 0.694 1.00 0.00 O ATOM 1416 CB ASP A 95 14.987 11.601 -0.374 1.00 0.00 C ATOM 1417 CG ASP A 95 14.397 12.482 -1.457 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.177 12.382 -1.703 1.00 0.00 O ATOM 1419 OD2 ASP A 95 15.155 13.270 -2.060 1.00 0.00 O ATOM 0 H ASP A 95 13.951 9.042 0.125 1.00 0.00 H new ATOM 0 HA ASP A 95 15.669 10.291 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.268 11.500 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.872 12.084 0.040 1.00 0.00 H new