USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 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 62 GLN : amide:sc= 0.38 K(o=0.17,f=-0.65) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.213 K(o=0.17,f=-0.5) USER MOD Set 2.1: A 37 SER OG : rot 129:sc= 0 USER MOD Set 2.2: A 61 THR OG1 : rot 80:sc= 0.38 USER MOD Single : A 4 THR OG1 : rot 142:sc= 0.405 USER MOD Single : A 10 THR OG1 : rot -72:sc= 0.0927 USER MOD Single : A 15 THR OG1 : rot -78:sc= -0.584! USER MOD Single : A 16 CYS SG : rot 77:sc= -2.87! USER MOD Single : A 22 THR OG1 : rot -20:sc= 1.1 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 27 SER OG : rot 140:sc= -0.261 USER MOD Single : A 28 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-8.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -117:sc= 0.154 (180deg=-0.12) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0588 USER MOD Single : A 73 GLN : amide:sc=-0.000625 K(o=-0.00063,f=-0.68) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.004) USER MOD Single : A 79 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 1.046 10.980 3.695 1.00 0.00 N ATOM 46 CA THR A 4 1.098 9.924 2.665 1.00 0.00 C ATOM 47 C THR A 4 -0.020 8.878 2.885 1.00 0.00 C ATOM 48 O THR A 4 -0.649 8.447 1.926 1.00 0.00 O ATOM 49 CB THR A 4 2.486 9.219 2.629 1.00 0.00 C ATOM 50 OG1 THR A 4 3.507 10.198 2.445 1.00 0.00 O ATOM 51 CG2 THR A 4 2.583 8.179 1.497 1.00 0.00 C ATOM 0 HA THR A 4 0.941 10.411 1.703 1.00 0.00 H new ATOM 0 HB THR A 4 2.613 8.696 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.289 9.961 2.986 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.569 7.715 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.819 7.414 1.639 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.429 8.671 0.537 1.00 0.00 H new ATOM 59 N PHE A 5 -0.316 8.585 4.173 1.00 0.00 N ATOM 60 CA PHE A 5 -1.364 7.614 4.546 1.00 0.00 C ATOM 61 C PHE A 5 -2.744 8.048 4.029 1.00 0.00 C ATOM 62 O PHE A 5 -3.497 7.220 3.533 1.00 0.00 O ATOM 63 CB PHE A 5 -1.428 7.378 6.085 1.00 0.00 C ATOM 64 CG PHE A 5 -2.631 6.504 6.495 1.00 0.00 C ATOM 65 CD1 PHE A 5 -2.672 5.149 6.169 1.00 0.00 C ATOM 66 CD2 PHE A 5 -3.749 7.057 7.133 1.00 0.00 C ATOM 67 CE1 PHE A 5 -3.783 4.384 6.461 1.00 0.00 C ATOM 68 CE2 PHE A 5 -4.851 6.283 7.432 1.00 0.00 C ATOM 69 CZ PHE A 5 -4.868 4.947 7.095 1.00 0.00 C ATOM 0 H PHE A 5 0.159 9.009 4.970 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.090 6.672 4.070 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.506 6.900 6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.490 8.339 6.595 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.823 4.692 5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.748 8.105 7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.802 3.338 6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.701 6.725 7.931 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.732 4.342 7.328 1.00 0.00 H new ATOM 79 N ASP A 6 -3.046 9.343 4.164 1.00 0.00 N ATOM 80 CA ASP A 6 -4.350 9.917 3.767 1.00 0.00 C ATOM 81 C ASP A 6 -4.636 9.676 2.262 1.00 0.00 C ATOM 82 O ASP A 6 -5.760 9.326 1.875 1.00 0.00 O ATOM 83 CB ASP A 6 -4.374 11.430 4.096 1.00 0.00 C ATOM 84 CG ASP A 6 -5.714 12.102 3.750 1.00 0.00 C ATOM 85 OD1 ASP A 6 -6.691 11.938 4.512 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.804 12.774 2.701 1.00 0.00 O ATOM 0 H ASP A 6 -2.398 10.029 4.551 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.137 9.417 4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.169 11.568 5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.573 11.927 3.549 1.00 0.00 H new ATOM 91 N ARG A 7 -3.586 9.832 1.442 1.00 0.00 N ATOM 92 CA ARG A 7 -3.664 9.600 -0.008 1.00 0.00 C ATOM 93 C ARG A 7 -3.685 8.096 -0.356 1.00 0.00 C ATOM 94 O ARG A 7 -4.411 7.691 -1.258 1.00 0.00 O ATOM 95 CB ARG A 7 -2.508 10.331 -0.728 1.00 0.00 C ATOM 96 CG ARG A 7 -2.626 11.870 -0.691 1.00 0.00 C ATOM 97 CD ARG A 7 -3.907 12.376 -1.392 1.00 0.00 C ATOM 98 NE ARG A 7 -4.086 13.843 -1.275 1.00 0.00 N ATOM 99 CZ ARG A 7 -4.710 14.632 -2.174 1.00 0.00 C ATOM 100 NH1 ARG A 7 -5.142 14.138 -3.333 1.00 0.00 N ATOM 101 NH2 ARG A 7 -4.890 15.918 -1.901 1.00 0.00 N ATOM 0 H ARG A 7 -2.662 10.121 1.764 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.609 10.012 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.563 10.037 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.474 10.003 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.624 12.208 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.753 12.311 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.871 12.102 -2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.773 11.874 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.705 14.294 -0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.003 13.151 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.612 14.746 -4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.558 16.303 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.361 16.521 -2.575 1.00 0.00 H new ATOM 115 N VAL A 8 -2.897 7.277 0.358 1.00 0.00 N ATOM 116 CA VAL A 8 -2.927 5.799 0.198 1.00 0.00 C ATOM 117 C VAL A 8 -4.333 5.245 0.529 1.00 0.00 C ATOM 118 O VAL A 8 -4.851 4.371 -0.168 1.00 0.00 O ATOM 119 CB VAL A 8 -1.848 5.102 1.112 1.00 0.00 C ATOM 120 CG1 VAL A 8 -1.927 3.552 1.043 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.428 5.592 0.751 1.00 0.00 C ATOM 0 H VAL A 8 -2.228 7.605 1.054 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.691 5.575 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.068 5.388 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.164 3.120 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.912 3.223 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.761 3.225 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.301 5.099 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.214 5.353 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.368 6.671 0.895 1.00 0.00 H new ATOM 131 N ALA A 9 -4.942 5.828 1.571 1.00 0.00 N ATOM 132 CA ALA A 9 -6.246 5.420 2.107 1.00 0.00 C ATOM 133 C ALA A 9 -7.360 5.621 1.064 1.00 0.00 C ATOM 134 O ALA A 9 -8.171 4.718 0.837 1.00 0.00 O ATOM 135 CB ALA A 9 -6.552 6.203 3.396 1.00 0.00 C ATOM 0 H ALA A 9 -4.532 6.614 2.075 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.206 4.357 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.521 5.895 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.780 5.999 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.572 7.271 3.177 1.00 0.00 H new ATOM 141 N THR A 10 -7.370 6.796 0.400 1.00 0.00 N ATOM 142 CA THR A 10 -8.376 7.096 -0.641 1.00 0.00 C ATOM 143 C THR A 10 -8.153 6.231 -1.899 1.00 0.00 C ATOM 144 O THR A 10 -9.122 5.871 -2.562 1.00 0.00 O ATOM 145 CB THR A 10 -8.445 8.617 -1.016 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.495 8.845 -1.978 1.00 0.00 O ATOM 147 CG2 THR A 10 -7.131 9.156 -1.581 1.00 0.00 C ATOM 0 H THR A 10 -6.699 7.547 0.564 1.00 0.00 H new ATOM 0 HA THR A 10 -9.343 6.840 -0.207 1.00 0.00 H new ATOM 0 HB THR A 10 -8.649 9.151 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.222 8.491 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.244 10.213 -1.821 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.340 9.034 -0.841 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.870 8.605 -2.485 1.00 0.00 H new ATOM 155 N ILE A 11 -6.879 5.882 -2.198 1.00 0.00 N ATOM 156 CA ILE A 11 -6.543 4.969 -3.310 1.00 0.00 C ATOM 157 C ILE A 11 -7.234 3.606 -3.094 1.00 0.00 C ATOM 158 O ILE A 11 -7.982 3.149 -3.956 1.00 0.00 O ATOM 159 CB ILE A 11 -4.978 4.764 -3.460 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.259 6.081 -3.906 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.638 3.590 -4.413 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.708 6.633 -5.239 1.00 0.00 C ATOM 0 H ILE A 11 -6.067 6.221 -1.682 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.903 5.425 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.600 4.502 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.420 6.842 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.186 5.895 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.556 3.484 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.067 2.668 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.052 3.792 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.153 7.545 -5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.521 5.896 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.774 6.857 -5.199 1.00 0.00 H new ATOM 174 N ILE A 12 -7.005 3.017 -1.904 1.00 0.00 N ATOM 175 CA ILE A 12 -7.546 1.694 -1.518 1.00 0.00 C ATOM 176 C ILE A 12 -9.092 1.703 -1.520 1.00 0.00 C ATOM 177 O ILE A 12 -9.728 0.730 -1.935 1.00 0.00 O ATOM 178 CB ILE A 12 -7.007 1.277 -0.096 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.442 1.253 -0.093 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.582 -0.091 0.368 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.810 1.011 1.263 1.00 0.00 C ATOM 0 H ILE A 12 -6.435 3.448 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.209 0.964 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.349 2.026 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.104 0.476 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.078 2.203 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.184 -0.338 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.669 -0.030 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.297 -0.866 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.725 1.012 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.112 1.800 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.138 0.047 1.651 1.00 0.00 H new ATOM 193 N ALA A 13 -9.671 2.832 -1.067 1.00 0.00 N ATOM 194 CA ALA A 13 -11.132 3.053 -1.044 1.00 0.00 C ATOM 195 C ALA A 13 -11.741 2.921 -2.452 1.00 0.00 C ATOM 196 O ALA A 13 -12.683 2.159 -2.664 1.00 0.00 O ATOM 197 CB ALA A 13 -11.459 4.435 -0.441 1.00 0.00 C ATOM 0 H ALA A 13 -9.136 3.621 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.577 2.282 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.539 4.582 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.077 4.487 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.992 5.214 -1.043 1.00 0.00 H new ATOM 203 N GLU A 14 -11.151 3.657 -3.407 1.00 0.00 N ATOM 204 CA GLU A 14 -11.645 3.749 -4.794 1.00 0.00 C ATOM 205 C GLU A 14 -11.377 2.457 -5.608 1.00 0.00 C ATOM 206 O GLU A 14 -12.244 2.023 -6.374 1.00 0.00 O ATOM 207 CB GLU A 14 -11.007 4.995 -5.467 1.00 0.00 C ATOM 208 CG GLU A 14 -11.341 6.314 -4.738 1.00 0.00 C ATOM 209 CD GLU A 14 -10.625 7.539 -5.319 1.00 0.00 C ATOM 210 OE1 GLU A 14 -9.455 7.783 -4.954 1.00 0.00 O ATOM 211 OE2 GLU A 14 -11.228 8.269 -6.141 1.00 0.00 O ATOM 0 H GLU A 14 -10.311 4.210 -3.239 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.729 3.859 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.925 4.869 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.352 5.060 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.418 6.480 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.075 6.214 -3.686 1.00 0.00 H new ATOM 218 N THR A 15 -10.187 1.847 -5.433 1.00 0.00 N ATOM 219 CA THR A 15 -9.778 0.638 -6.190 1.00 0.00 C ATOM 220 C THR A 15 -10.469 -0.628 -5.645 1.00 0.00 C ATOM 221 O THR A 15 -11.200 -1.309 -6.374 1.00 0.00 O ATOM 222 CB THR A 15 -8.222 0.449 -6.160 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.746 0.600 -4.816 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.488 1.439 -7.081 1.00 0.00 C ATOM 0 H THR A 15 -9.485 2.173 -4.769 1.00 0.00 H new ATOM 0 HA THR A 15 -10.092 0.787 -7.223 1.00 0.00 H new ATOM 0 HB THR A 15 -8.010 -0.555 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.710 1.552 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.414 1.264 -7.021 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.822 1.296 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.707 2.459 -6.766 1.00 0.00 H new ATOM 232 N CYS A 16 -10.257 -0.915 -4.352 1.00 0.00 N ATOM 233 CA CYS A 16 -10.711 -2.158 -3.702 1.00 0.00 C ATOM 234 C CYS A 16 -12.178 -2.067 -3.212 1.00 0.00 C ATOM 235 O CYS A 16 -12.708 -3.045 -2.665 1.00 0.00 O ATOM 236 CB CYS A 16 -9.747 -2.469 -2.533 1.00 0.00 C ATOM 237 SG CYS A 16 -10.012 -4.054 -1.716 1.00 0.00 S ATOM 0 H CYS A 16 -9.761 -0.286 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.693 -2.968 -4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.725 -2.440 -2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.836 -1.677 -1.790 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.520 -5.008 -2.450 1.00 0.00 H new ATOM 243 N ASP A 17 -12.822 -0.891 -3.419 1.00 0.00 N ATOM 244 CA ASP A 17 -14.236 -0.634 -3.039 1.00 0.00 C ATOM 245 C ASP A 17 -14.476 -0.835 -1.528 1.00 0.00 C ATOM 246 O ASP A 17 -15.457 -1.463 -1.103 1.00 0.00 O ATOM 247 CB ASP A 17 -15.223 -1.476 -3.909 1.00 0.00 C ATOM 248 CG ASP A 17 -15.372 -0.940 -5.344 1.00 0.00 C ATOM 249 OD1 ASP A 17 -15.985 0.139 -5.515 1.00 0.00 O ATOM 250 OD2 ASP A 17 -14.898 -1.584 -6.304 1.00 0.00 O ATOM 0 H ASP A 17 -12.372 -0.088 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.440 0.416 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.874 -2.508 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.201 -1.488 -3.429 1.00 0.00 H new ATOM 255 N ILE A 18 -13.555 -0.287 -0.732 1.00 0.00 N ATOM 256 CA ILE A 18 -13.615 -0.315 0.736 1.00 0.00 C ATOM 257 C ILE A 18 -14.091 1.058 1.240 1.00 0.00 C ATOM 258 O ILE A 18 -13.552 2.072 0.787 1.00 0.00 O ATOM 259 CB ILE A 18 -12.204 -0.664 1.349 1.00 0.00 C ATOM 260 CG1 ILE A 18 -11.717 -2.040 0.807 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.230 -0.652 2.904 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.353 -2.472 1.295 1.00 0.00 C ATOM 0 H ILE A 18 -12.733 0.197 -1.092 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.315 -1.088 1.052 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.499 0.107 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.445 -2.802 1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.701 -1.999 -0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.239 -0.897 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.520 0.338 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -12.949 -1.389 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.102 -3.441 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.608 -1.736 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.364 -2.551 2.382 1.00 0.00 H new ATOM 274 N PRO A 19 -15.118 1.122 2.164 1.00 0.00 N ATOM 275 CA PRO A 19 -15.567 2.397 2.769 1.00 0.00 C ATOM 276 C PRO A 19 -14.386 3.175 3.389 1.00 0.00 C ATOM 277 O PRO A 19 -13.593 2.612 4.152 1.00 0.00 O ATOM 278 CB PRO A 19 -16.598 1.958 3.842 1.00 0.00 C ATOM 279 CG PRO A 19 -17.105 0.640 3.343 1.00 0.00 C ATOM 280 CD PRO A 19 -15.923 -0.025 2.669 1.00 0.00 C ATOM 0 HA PRO A 19 -15.998 3.081 2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.135 1.861 4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.405 2.684 3.940 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.482 0.030 4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.929 0.777 2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.354 -0.637 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.240 -0.680 1.858 1.00 0.00 H new ATOM 288 N ARG A 20 -14.265 4.456 3.009 1.00 0.00 N ATOM 289 CA ARG A 20 -13.173 5.347 3.446 1.00 0.00 C ATOM 290 C ARG A 20 -13.117 5.434 4.992 1.00 0.00 C ATOM 291 O ARG A 20 -12.038 5.444 5.583 1.00 0.00 O ATOM 292 CB ARG A 20 -13.378 6.748 2.798 1.00 0.00 C ATOM 293 CG ARG A 20 -12.237 7.774 3.012 1.00 0.00 C ATOM 294 CD ARG A 20 -10.872 7.302 2.460 1.00 0.00 C ATOM 295 NE ARG A 20 -9.916 8.423 2.343 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.076 8.855 3.301 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.988 8.243 4.479 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.322 9.910 3.067 1.00 0.00 N ATOM 0 H ARG A 20 -14.929 4.910 2.382 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.215 4.943 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.520 6.612 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.301 7.175 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.509 8.714 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.138 7.978 4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.458 6.537 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.014 6.840 1.483 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.891 8.916 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.566 7.425 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.343 8.591 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.380 10.389 2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.681 10.248 3.785 1.00 0.00 H new ATOM 312 N GLU A 21 -14.308 5.424 5.618 1.00 0.00 N ATOM 313 CA GLU A 21 -14.488 5.478 7.090 1.00 0.00 C ATOM 314 C GLU A 21 -13.933 4.217 7.806 1.00 0.00 C ATOM 315 O GLU A 21 -13.439 4.315 8.933 1.00 0.00 O ATOM 316 CB GLU A 21 -15.997 5.668 7.409 1.00 0.00 C ATOM 317 CG GLU A 21 -16.913 4.584 6.798 1.00 0.00 C ATOM 318 CD GLU A 21 -18.407 4.895 6.962 1.00 0.00 C ATOM 319 OE1 GLU A 21 -18.919 5.761 6.219 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.067 4.289 7.836 1.00 0.00 O ATOM 0 H GLU A 21 -15.192 5.377 5.110 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.915 6.324 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.131 5.674 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.314 6.645 7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.684 4.479 5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.694 3.625 7.268 1.00 0.00 H new ATOM 327 N THR A 22 -14.004 3.039 7.140 1.00 0.00 N ATOM 328 CA THR A 22 -13.549 1.755 7.735 1.00 0.00 C ATOM 329 C THR A 22 -12.023 1.567 7.590 1.00 0.00 C ATOM 330 O THR A 22 -11.440 0.652 8.180 1.00 0.00 O ATOM 331 CB THR A 22 -14.306 0.526 7.110 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.068 0.440 5.696 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.823 0.609 7.355 1.00 0.00 C ATOM 0 H THR A 22 -14.371 2.950 6.192 1.00 0.00 H new ATOM 0 HA THR A 22 -13.788 1.802 8.797 1.00 0.00 H new ATOM 0 HB THR A 22 -13.917 -0.365 7.602 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.765 1.310 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.312 -0.257 6.909 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.018 0.623 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.215 1.520 6.903 1.00 0.00 H new ATOM 341 N ILE A 23 -11.392 2.441 6.797 1.00 0.00 N ATOM 342 CA ILE A 23 -9.944 2.427 6.578 1.00 0.00 C ATOM 343 C ILE A 23 -9.222 3.072 7.778 1.00 0.00 C ATOM 344 O ILE A 23 -9.340 4.279 8.019 1.00 0.00 O ATOM 345 CB ILE A 23 -9.597 3.156 5.232 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.231 2.369 4.037 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.074 3.336 5.048 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.033 2.986 2.670 1.00 0.00 C ATOM 0 H ILE A 23 -11.875 3.181 6.288 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.598 1.396 6.497 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.021 4.160 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.813 1.362 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.301 2.268 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.879 3.845 4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.676 3.931 5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.590 2.359 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.511 2.361 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.478 3.981 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.967 3.061 2.456 1.00 0.00 H new ATOM 360 N THR A 24 -8.514 2.226 8.543 1.00 0.00 N ATOM 361 CA THR A 24 -7.713 2.633 9.712 1.00 0.00 C ATOM 362 C THR A 24 -6.225 2.308 9.457 1.00 0.00 C ATOM 363 O THR A 24 -5.938 1.344 8.742 1.00 0.00 O ATOM 364 CB THR A 24 -8.211 1.894 11.006 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.117 0.465 10.825 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.664 2.281 11.348 1.00 0.00 C ATOM 0 H THR A 24 -8.481 1.222 8.365 1.00 0.00 H new ATOM 0 HA THR A 24 -7.829 3.706 9.863 1.00 0.00 H new ATOM 0 HB THR A 24 -7.573 2.200 11.835 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.428 0.011 11.636 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.979 1.753 12.248 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.724 3.356 11.518 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.318 2.008 10.520 1.00 0.00 H new ATOM 374 N PRO A 25 -5.260 3.115 10.024 1.00 0.00 N ATOM 375 CA PRO A 25 -3.802 2.847 9.895 1.00 0.00 C ATOM 376 C PRO A 25 -3.395 1.403 10.278 1.00 0.00 C ATOM 377 O PRO A 25 -2.619 0.759 9.570 1.00 0.00 O ATOM 378 CB PRO A 25 -3.170 3.884 10.859 1.00 0.00 C ATOM 379 CG PRO A 25 -4.141 5.021 10.872 1.00 0.00 C ATOM 380 CD PRO A 25 -5.509 4.377 10.785 1.00 0.00 C ATOM 0 HA PRO A 25 -3.468 2.937 8.862 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.033 3.467 11.857 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.188 4.204 10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.042 5.613 11.782 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.969 5.695 10.033 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.919 4.174 11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.222 5.021 10.270 1.00 0.00 H new ATOM 388 N GLU A 26 -3.993 0.888 11.363 1.00 0.00 N ATOM 389 CA GLU A 26 -3.602 -0.405 11.970 1.00 0.00 C ATOM 390 C GLU A 26 -4.139 -1.610 11.162 1.00 0.00 C ATOM 391 O GLU A 26 -3.653 -2.736 11.330 1.00 0.00 O ATOM 392 CB GLU A 26 -4.107 -0.473 13.434 1.00 0.00 C ATOM 393 CG GLU A 26 -5.643 -0.410 13.591 1.00 0.00 C ATOM 394 CD GLU A 26 -6.087 -0.381 15.059 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.991 0.689 15.694 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.504 -1.430 15.599 1.00 0.00 O ATOM 0 H GLU A 26 -4.761 1.351 11.848 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.514 -0.463 11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.747 -1.397 13.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.664 0.350 13.995 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.020 0.478 13.084 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.090 -1.273 13.097 1.00 0.00 H new ATOM 403 N SER A 27 -5.129 -1.346 10.283 1.00 0.00 N ATOM 404 CA SER A 27 -5.793 -2.379 9.470 1.00 0.00 C ATOM 405 C SER A 27 -4.791 -3.039 8.506 1.00 0.00 C ATOM 406 O SER A 27 -4.006 -2.347 7.869 1.00 0.00 O ATOM 407 CB SER A 27 -6.963 -1.750 8.681 1.00 0.00 C ATOM 408 OG SER A 27 -7.677 -2.716 7.950 1.00 0.00 O ATOM 0 H SER A 27 -5.489 -0.406 10.119 1.00 0.00 H new ATOM 0 HA SER A 27 -6.184 -3.150 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.638 -1.245 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.577 -0.991 8.001 1.00 0.00 H new ATOM 0 HG SER A 27 -8.636 -2.524 8.004 1.00 0.00 H new ATOM 414 N HIS A 28 -4.783 -4.383 8.453 1.00 0.00 N ATOM 415 CA HIS A 28 -3.973 -5.149 7.490 1.00 0.00 C ATOM 416 C HIS A 28 -4.793 -5.377 6.212 1.00 0.00 C ATOM 417 O HIS A 28 -5.938 -5.828 6.295 1.00 0.00 O ATOM 418 CB HIS A 28 -3.534 -6.498 8.109 1.00 0.00 C ATOM 419 CG HIS A 28 -2.550 -7.285 7.268 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.919 -7.890 6.095 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.241 -7.542 7.491 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.838 -8.490 5.643 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.794 -8.313 6.454 1.00 0.00 N ATOM 0 H HIS A 28 -5.338 -4.968 9.077 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.073 -4.587 7.241 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.087 -6.307 9.085 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.419 -7.111 8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.657 -7.201 8.333 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.801 -9.058 4.725 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.149 -8.680 6.326 1.00 0.00 H new ATOM 431 N ALA A 29 -4.210 -5.037 5.045 1.00 0.00 N ATOM 432 CA ALA A 29 -4.842 -5.233 3.727 1.00 0.00 C ATOM 433 C ALA A 29 -5.418 -6.656 3.554 1.00 0.00 C ATOM 434 O ALA A 29 -6.631 -6.814 3.487 1.00 0.00 O ATOM 435 CB ALA A 29 -3.843 -4.912 2.604 1.00 0.00 C ATOM 0 H ALA A 29 -3.282 -4.616 4.991 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.683 -4.542 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.323 -5.061 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.518 -3.875 2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.979 -5.572 2.686 1.00 0.00 H new ATOM 441 N ILE A 30 -4.551 -7.685 3.562 1.00 0.00 N ATOM 442 CA ILE A 30 -4.966 -9.075 3.250 1.00 0.00 C ATOM 443 C ILE A 30 -5.812 -9.693 4.389 1.00 0.00 C ATOM 444 O ILE A 30 -6.759 -10.445 4.130 1.00 0.00 O ATOM 445 CB ILE A 30 -3.726 -9.993 2.915 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.907 -9.383 1.730 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.155 -11.452 2.601 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.751 -10.234 1.227 1.00 0.00 C ATOM 0 H ILE A 30 -3.560 -7.586 3.780 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.594 -9.022 2.361 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.090 -10.031 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.587 -9.197 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.514 -8.416 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.272 -12.050 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.669 -11.874 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.826 -11.457 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.251 -9.720 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.041 -10.400 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.131 -11.193 0.876 1.00 0.00 H new ATOM 460 N ASP A 31 -5.486 -9.357 5.646 1.00 0.00 N ATOM 461 CA ASP A 31 -6.159 -9.941 6.824 1.00 0.00 C ATOM 462 C ASP A 31 -7.485 -9.218 7.120 1.00 0.00 C ATOM 463 O ASP A 31 -8.565 -9.797 6.953 1.00 0.00 O ATOM 464 CB ASP A 31 -5.227 -9.916 8.070 1.00 0.00 C ATOM 465 CG ASP A 31 -5.900 -10.497 9.332 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.948 -11.734 9.474 1.00 0.00 O ATOM 467 OD2 ASP A 31 -6.419 -9.718 10.167 1.00 0.00 O ATOM 0 H ASP A 31 -4.758 -8.681 5.877 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.387 -10.982 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.322 -10.483 7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.920 -8.889 8.268 1.00 0.00 H new ATOM 472 N ASP A 32 -7.381 -7.953 7.544 1.00 0.00 N ATOM 473 CA ASP A 32 -8.519 -7.183 8.085 1.00 0.00 C ATOM 474 C ASP A 32 -9.487 -6.772 6.957 1.00 0.00 C ATOM 475 O ASP A 32 -10.694 -7.022 7.035 1.00 0.00 O ATOM 476 CB ASP A 32 -7.982 -5.936 8.840 1.00 0.00 C ATOM 477 CG ASP A 32 -9.047 -5.227 9.698 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.846 -4.434 9.158 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.070 -5.449 10.931 1.00 0.00 O ATOM 0 H ASP A 32 -6.506 -7.429 7.524 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.076 -7.808 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.154 -6.239 9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.581 -5.228 8.115 1.00 0.00 H new ATOM 484 N LEU A 33 -8.927 -6.160 5.903 1.00 0.00 N ATOM 485 CA LEU A 33 -9.698 -5.671 4.742 1.00 0.00 C ATOM 486 C LEU A 33 -9.998 -6.806 3.743 1.00 0.00 C ATOM 487 O LEU A 33 -10.877 -6.656 2.887 1.00 0.00 O ATOM 488 CB LEU A 33 -8.922 -4.536 4.035 1.00 0.00 C ATOM 489 CG LEU A 33 -8.615 -3.266 4.890 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.834 -2.220 4.067 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.907 -2.665 5.497 1.00 0.00 C ATOM 0 H LEU A 33 -7.924 -5.988 5.828 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.650 -5.288 5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.977 -4.942 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.491 -4.228 3.158 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.981 -3.571 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.633 -1.346 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.891 -2.651 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.425 -1.923 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.656 -1.783 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.589 -2.384 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.386 -3.405 6.138 1.00 0.00 H new ATOM 503 N GLY A 34 -9.243 -7.916 3.837 1.00 0.00 N ATOM 504 CA GLY A 34 -9.462 -9.097 2.988 1.00 0.00 C ATOM 505 C GLY A 34 -9.100 -8.877 1.520 1.00 0.00 C ATOM 506 O GLY A 34 -9.781 -9.382 0.627 1.00 0.00 O ATOM 0 H GLY A 34 -8.472 -8.018 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.873 -9.927 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.509 -9.391 3.054 1.00 0.00 H new ATOM 510 N ILE A 35 -8.030 -8.108 1.277 1.00 0.00 N ATOM 511 CA ILE A 35 -7.544 -7.776 -0.077 1.00 0.00 C ATOM 512 C ILE A 35 -6.619 -8.896 -0.585 1.00 0.00 C ATOM 513 O ILE A 35 -5.749 -9.357 0.147 1.00 0.00 O ATOM 514 CB ILE A 35 -6.763 -6.404 -0.093 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.625 -5.263 0.536 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.313 -6.025 -1.532 1.00 0.00 C ATOM 517 CD1 ILE A 35 -6.927 -3.911 0.637 1.00 0.00 C ATOM 0 H ILE A 35 -7.469 -7.692 2.020 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.412 -7.681 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.867 -6.529 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.532 -5.144 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.935 -5.571 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.778 -5.075 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.656 -6.801 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.189 -5.932 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.604 -3.184 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.036 -4.007 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.641 -3.574 -0.359 1.00 0.00 H new ATOM 529 N ASP A 36 -6.820 -9.333 -1.833 1.00 0.00 N ATOM 530 CA ASP A 36 -5.915 -10.295 -2.504 1.00 0.00 C ATOM 531 C ASP A 36 -4.670 -9.559 -2.991 1.00 0.00 C ATOM 532 O ASP A 36 -4.741 -8.363 -3.261 1.00 0.00 O ATOM 533 CB ASP A 36 -6.626 -10.968 -3.714 1.00 0.00 C ATOM 534 CG ASP A 36 -7.671 -12.013 -3.298 1.00 0.00 C ATOM 535 OD1 ASP A 36 -8.811 -11.628 -2.966 1.00 0.00 O ATOM 536 OD2 ASP A 36 -7.350 -13.224 -3.292 1.00 0.00 O ATOM 0 H ASP A 36 -7.607 -9.037 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.636 -11.070 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.110 -10.199 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.878 -11.444 -4.348 1.00 0.00 H new ATOM 541 N SER A 37 -3.541 -10.272 -3.132 1.00 0.00 N ATOM 542 CA SER A 37 -2.327 -9.721 -3.754 1.00 0.00 C ATOM 543 C SER A 37 -2.574 -9.433 -5.259 1.00 0.00 C ATOM 544 O SER A 37 -1.873 -8.622 -5.867 1.00 0.00 O ATOM 545 CB SER A 37 -1.136 -10.691 -3.550 1.00 0.00 C ATOM 546 OG SER A 37 0.089 -10.121 -3.983 1.00 0.00 O ATOM 0 H SER A 37 -3.444 -11.239 -2.821 1.00 0.00 H new ATOM 0 HA SER A 37 -2.077 -8.776 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.060 -10.957 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.321 -11.614 -4.099 1.00 0.00 H new ATOM 0 HG SER A 37 0.760 -10.210 -3.274 1.00 0.00 H new ATOM 552 N LEU A 38 -3.637 -10.046 -5.823 1.00 0.00 N ATOM 553 CA LEU A 38 -4.067 -9.847 -7.210 1.00 0.00 C ATOM 554 C LEU A 38 -4.913 -8.569 -7.317 1.00 0.00 C ATOM 555 O LEU A 38 -4.749 -7.790 -8.252 1.00 0.00 O ATOM 556 CB LEU A 38 -4.881 -11.078 -7.690 1.00 0.00 C ATOM 557 CG LEU A 38 -4.131 -12.449 -7.668 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.065 -13.602 -8.108 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.849 -12.391 -8.531 1.00 0.00 C ATOM 0 H LEU A 38 -4.226 -10.703 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.189 -9.738 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.772 -11.164 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.221 -10.889 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.826 -12.652 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.517 -14.544 -8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.916 -13.660 -7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.421 -13.416 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.345 -13.357 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.114 -12.154 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.183 -11.621 -8.141 1.00 0.00 H new ATOM 571 N ASP A 39 -5.817 -8.378 -6.333 1.00 0.00 N ATOM 572 CA ASP A 39 -6.676 -7.171 -6.231 1.00 0.00 C ATOM 573 C ASP A 39 -5.818 -5.937 -5.898 1.00 0.00 C ATOM 574 O ASP A 39 -6.084 -4.822 -6.364 1.00 0.00 O ATOM 575 CB ASP A 39 -7.771 -7.377 -5.144 1.00 0.00 C ATOM 576 CG ASP A 39 -8.758 -6.192 -5.034 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.720 -6.128 -5.839 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.575 -5.325 -4.154 1.00 0.00 O ATOM 0 H ASP A 39 -5.975 -9.054 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.166 -7.008 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.329 -8.286 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.289 -7.530 -4.178 1.00 0.00 H new ATOM 583 N PHE A 40 -4.750 -6.190 -5.121 1.00 0.00 N ATOM 584 CA PHE A 40 -3.808 -5.169 -4.653 1.00 0.00 C ATOM 585 C PHE A 40 -3.005 -4.575 -5.831 1.00 0.00 C ATOM 586 O PHE A 40 -2.462 -3.490 -5.706 1.00 0.00 O ATOM 587 CB PHE A 40 -2.864 -5.756 -3.567 1.00 0.00 C ATOM 588 CG PHE A 40 -2.256 -4.717 -2.617 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.104 -4.006 -2.957 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.854 -4.441 -1.388 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.571 -3.068 -2.104 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.316 -3.503 -0.535 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.182 -2.816 -0.896 1.00 0.00 C ATOM 0 H PHE A 40 -4.517 -7.129 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.379 -4.357 -4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.420 -6.486 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.055 -6.294 -4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.623 -4.196 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.751 -4.970 -1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.324 -2.531 -2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.785 -3.307 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.768 -2.075 -0.229 1.00 0.00 H new ATOM 603 N LEU A 41 -2.921 -5.310 -6.963 1.00 0.00 N ATOM 604 CA LEU A 41 -2.219 -4.842 -8.181 1.00 0.00 C ATOM 605 C LEU A 41 -2.826 -3.526 -8.725 1.00 0.00 C ATOM 606 O LEU A 41 -2.091 -2.671 -9.225 1.00 0.00 O ATOM 607 CB LEU A 41 -2.251 -5.940 -9.280 1.00 0.00 C ATOM 608 CG LEU A 41 -1.420 -7.233 -8.991 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.733 -8.340 -10.025 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.094 -6.912 -8.950 1.00 0.00 C ATOM 0 H LEU A 41 -3.334 -6.238 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.184 -4.641 -7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.289 -6.230 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.891 -5.503 -10.211 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.710 -7.611 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.141 -9.227 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.793 -8.590 -9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.486 -7.984 -11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.654 -7.825 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.405 -6.501 -9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.290 -6.184 -8.163 1.00 0.00 H new ATOM 622 N ASP A 42 -4.167 -3.375 -8.615 1.00 0.00 N ATOM 623 CA ASP A 42 -4.894 -2.168 -9.086 1.00 0.00 C ATOM 624 C ASP A 42 -4.704 -1.014 -8.094 1.00 0.00 C ATOM 625 O ASP A 42 -4.609 0.151 -8.497 1.00 0.00 O ATOM 626 CB ASP A 42 -6.407 -2.459 -9.281 1.00 0.00 C ATOM 627 CG ASP A 42 -7.165 -1.334 -10.009 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.779 -0.993 -11.149 1.00 0.00 O ATOM 629 OD2 ASP A 42 -8.140 -0.784 -9.456 1.00 0.00 O ATOM 0 H ASP A 42 -4.774 -4.081 -8.200 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.478 -1.883 -10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.520 -3.385 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.865 -2.622 -8.305 1.00 0.00 H new ATOM 634 N ILE A 43 -4.646 -1.363 -6.793 1.00 0.00 N ATOM 635 CA ILE A 43 -4.335 -0.409 -5.710 1.00 0.00 C ATOM 636 C ILE A 43 -2.934 0.187 -5.951 1.00 0.00 C ATOM 637 O ILE A 43 -2.762 1.398 -6.007 1.00 0.00 O ATOM 638 CB ILE A 43 -4.369 -1.111 -4.297 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.763 -1.778 -4.043 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.989 -0.126 -3.158 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.911 -2.469 -2.698 1.00 0.00 C ATOM 0 H ILE A 43 -4.813 -2.314 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.090 0.377 -5.716 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.616 -1.899 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.535 -1.013 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.948 -2.508 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.024 -0.646 -2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.982 0.255 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.694 0.705 -3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.909 -2.899 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.167 -3.261 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.763 -1.744 -1.898 1.00 0.00 H new ATOM 653 N ALA A 44 -1.980 -0.724 -6.175 1.00 0.00 N ATOM 654 CA ALA A 44 -0.557 -0.414 -6.368 1.00 0.00 C ATOM 655 C ALA A 44 -0.338 0.365 -7.684 1.00 0.00 C ATOM 656 O ALA A 44 0.543 1.224 -7.764 1.00 0.00 O ATOM 657 CB ALA A 44 0.263 -1.715 -6.336 1.00 0.00 C ATOM 0 H ALA A 44 -2.180 -1.723 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.216 0.228 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.318 -1.483 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.127 -2.207 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.075 -2.378 -7.133 1.00 0.00 H new ATOM 663 N PHE A 45 -1.175 0.062 -8.693 1.00 0.00 N ATOM 664 CA PHE A 45 -1.162 0.766 -9.994 1.00 0.00 C ATOM 665 C PHE A 45 -1.668 2.205 -9.849 1.00 0.00 C ATOM 666 O PHE A 45 -1.132 3.132 -10.465 1.00 0.00 O ATOM 667 CB PHE A 45 -1.996 -0.003 -11.050 1.00 0.00 C ATOM 668 CG PHE A 45 -1.779 0.473 -12.489 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.500 0.463 -13.049 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.834 0.936 -13.271 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.290 0.885 -14.346 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.621 1.356 -14.570 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.349 1.337 -15.105 1.00 0.00 C ATOM 0 H PHE A 45 -1.878 -0.675 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.129 0.805 -10.339 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.750 -1.063 -10.989 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.053 0.094 -10.803 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.337 0.120 -12.459 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.831 0.967 -12.857 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.704 0.861 -14.767 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.452 1.700 -15.168 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.183 1.676 -16.117 1.00 0.00 H new ATOM 683 N ALA A 46 -2.714 2.380 -9.028 1.00 0.00 N ATOM 684 CA ALA A 46 -3.272 3.709 -8.712 1.00 0.00 C ATOM 685 C ALA A 46 -2.281 4.537 -7.876 1.00 0.00 C ATOM 686 O ALA A 46 -2.246 5.756 -7.986 1.00 0.00 O ATOM 687 CB ALA A 46 -4.619 3.566 -8.000 1.00 0.00 C ATOM 0 H ALA A 46 -3.197 1.610 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.439 4.245 -9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.018 4.555 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.317 3.032 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.483 3.009 -7.073 1.00 0.00 H new ATOM 693 N ILE A 47 -1.475 3.839 -7.061 1.00 0.00 N ATOM 694 CA ILE A 47 -0.368 4.434 -6.282 1.00 0.00 C ATOM 695 C ILE A 47 0.754 4.943 -7.223 1.00 0.00 C ATOM 696 O ILE A 47 1.312 6.028 -7.002 1.00 0.00 O ATOM 697 CB ILE A 47 0.176 3.376 -5.236 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.902 3.116 -4.131 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.527 3.796 -4.599 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.660 1.901 -3.250 1.00 0.00 C ATOM 0 H ILE A 47 -1.571 2.833 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.739 5.298 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 47 0.369 2.452 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.963 3.998 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.872 3.004 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.849 3.032 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.279 3.907 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.404 4.745 -4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.465 1.815 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.632 1.003 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.291 2.013 -2.729 1.00 0.00 H new ATOM 712 N ASP A 48 1.058 4.156 -8.278 1.00 0.00 N ATOM 713 CA ASP A 48 2.023 4.550 -9.336 1.00 0.00 C ATOM 714 C ASP A 48 1.589 5.862 -10.016 1.00 0.00 C ATOM 715 O ASP A 48 2.401 6.763 -10.224 1.00 0.00 O ATOM 716 CB ASP A 48 2.175 3.449 -10.434 1.00 0.00 C ATOM 717 CG ASP A 48 2.697 2.093 -9.936 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.598 2.060 -9.067 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.239 1.046 -10.449 1.00 0.00 O ATOM 0 H ASP A 48 0.646 3.234 -8.423 1.00 0.00 H new ATOM 0 HA ASP A 48 2.983 4.686 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.205 3.295 -10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.851 3.819 -11.205 1.00 0.00 H new ATOM 724 N LYS A 49 0.290 5.946 -10.349 1.00 0.00 N ATOM 725 CA LYS A 49 -0.285 7.069 -11.123 1.00 0.00 C ATOM 726 C LYS A 49 -0.573 8.309 -10.247 1.00 0.00 C ATOM 727 O LYS A 49 -0.585 9.435 -10.756 1.00 0.00 O ATOM 728 CB LYS A 49 -1.595 6.608 -11.809 1.00 0.00 C ATOM 729 CG LYS A 49 -1.420 5.445 -12.814 1.00 0.00 C ATOM 730 CD LYS A 49 -2.768 4.930 -13.372 1.00 0.00 C ATOM 731 CE LYS A 49 -3.695 4.402 -12.264 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.959 3.853 -12.788 1.00 0.00 N ATOM 0 H LYS A 49 -0.396 5.237 -10.090 1.00 0.00 H new ATOM 0 HA LYS A 49 0.456 7.361 -11.867 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.305 6.303 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.036 7.458 -12.330 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.792 5.776 -13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.896 4.624 -12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.269 5.736 -13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.580 4.136 -14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.175 3.628 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.917 5.210 -11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.543 3.512 -11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.473 4.596 -13.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.754 3.063 -13.432 1.00 0.00 H new ATOM 746 N ALA A 50 -0.829 8.089 -8.942 1.00 0.00 N ATOM 747 CA ALA A 50 -1.188 9.169 -7.993 1.00 0.00 C ATOM 748 C ALA A 50 0.068 9.860 -7.470 1.00 0.00 C ATOM 749 O ALA A 50 0.215 11.087 -7.577 1.00 0.00 O ATOM 750 CB ALA A 50 -2.008 8.615 -6.814 1.00 0.00 C ATOM 0 H ALA A 50 -0.794 7.163 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.797 9.897 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.259 9.427 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.925 8.161 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.422 7.864 -6.284 1.00 0.00 H new ATOM 756 N PHE A 51 0.992 9.053 -6.931 1.00 0.00 N ATOM 757 CA PHE A 51 2.208 9.531 -6.260 1.00 0.00 C ATOM 758 C PHE A 51 3.352 9.737 -7.264 1.00 0.00 C ATOM 759 O PHE A 51 4.259 10.518 -7.000 1.00 0.00 O ATOM 760 CB PHE A 51 2.630 8.526 -5.160 1.00 0.00 C ATOM 761 CG PHE A 51 1.588 8.315 -4.051 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.586 7.353 -4.178 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.619 9.070 -2.879 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.346 7.156 -3.179 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.687 8.871 -1.883 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.292 7.911 -2.034 1.00 0.00 C ATOM 0 H PHE A 51 0.915 8.036 -6.949 1.00 0.00 H new ATOM 0 HA PHE A 51 1.991 10.495 -5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.843 7.565 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.558 8.873 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.539 6.752 -5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.384 9.821 -2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.117 6.409 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.723 9.467 -0.983 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.017 7.753 -1.250 1.00 0.00 H new ATOM 776 N GLY A 52 3.297 9.037 -8.413 1.00 0.00 N ATOM 777 CA GLY A 52 4.359 9.118 -9.428 1.00 0.00 C ATOM 778 C GLY A 52 5.593 8.321 -9.022 1.00 0.00 C ATOM 779 O GLY A 52 6.729 8.767 -9.216 1.00 0.00 O ATOM 0 H GLY A 52 2.530 8.411 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.981 8.744 -10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.635 10.161 -9.583 1.00 0.00 H new ATOM 783 N ILE A 53 5.348 7.140 -8.427 1.00 0.00 N ATOM 784 CA ILE A 53 6.398 6.229 -7.919 1.00 0.00 C ATOM 785 C ILE A 53 6.219 4.823 -8.518 1.00 0.00 C ATOM 786 O ILE A 53 5.320 4.601 -9.326 1.00 0.00 O ATOM 787 CB ILE A 53 6.368 6.149 -6.344 1.00 0.00 C ATOM 788 CG1 ILE A 53 4.979 5.622 -5.847 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.722 7.519 -5.712 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.858 5.467 -4.345 1.00 0.00 C ATOM 0 H ILE A 53 4.403 6.784 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 53 7.365 6.629 -8.224 1.00 0.00 H new ATOM 0 HB ILE A 53 7.128 5.438 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.203 6.305 -6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.784 4.657 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.694 7.437 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.722 7.818 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.000 8.267 -6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.863 5.098 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.607 4.759 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.017 6.433 -3.866 1.00 0.00 H new ATOM 802 N LYS A 54 7.083 3.882 -8.108 1.00 0.00 N ATOM 803 CA LYS A 54 7.012 2.476 -8.522 1.00 0.00 C ATOM 804 C LYS A 54 6.951 1.600 -7.263 1.00 0.00 C ATOM 805 O LYS A 54 7.927 1.530 -6.502 1.00 0.00 O ATOM 806 CB LYS A 54 8.242 2.114 -9.402 1.00 0.00 C ATOM 807 CG LYS A 54 8.266 0.659 -9.921 1.00 0.00 C ATOM 808 CD LYS A 54 9.571 0.313 -10.675 1.00 0.00 C ATOM 809 CE LYS A 54 10.818 0.386 -9.772 1.00 0.00 C ATOM 810 NZ LYS A 54 12.065 0.161 -10.532 1.00 0.00 N ATOM 0 H LYS A 54 7.857 4.079 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 54 6.118 2.303 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.270 2.790 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.149 2.293 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.146 -0.024 -9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.416 0.501 -10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.489 -0.690 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.694 0.999 -11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.859 1.362 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.736 -0.359 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.879 0.218 -9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.038 -0.781 -10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.157 0.887 -11.271 1.00 0.00 H new ATOM 824 N LEU A 55 5.779 0.997 -7.010 1.00 0.00 N ATOM 825 CA LEU A 55 5.582 0.051 -5.902 1.00 0.00 C ATOM 826 C LEU A 55 5.835 -1.384 -6.444 1.00 0.00 C ATOM 827 O LEU A 55 4.999 -1.908 -7.185 1.00 0.00 O ATOM 828 CB LEU A 55 4.140 0.246 -5.305 1.00 0.00 C ATOM 829 CG LEU A 55 3.806 -0.474 -3.941 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.603 0.191 -3.238 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.543 -1.997 -4.101 1.00 0.00 C ATOM 0 H LEU A 55 4.940 1.152 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 55 6.282 0.227 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.975 1.315 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.420 -0.095 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 55 4.696 -0.361 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.397 -0.327 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.834 1.236 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.727 0.134 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.319 -2.432 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.697 -2.152 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.428 -2.477 -4.518 1.00 0.00 H new ATOM 843 N PRO A 56 6.989 -2.052 -6.101 1.00 0.00 N ATOM 844 CA PRO A 56 7.260 -3.425 -6.568 1.00 0.00 C ATOM 845 C PRO A 56 6.568 -4.479 -5.675 1.00 0.00 C ATOM 846 O PRO A 56 7.191 -5.081 -4.795 1.00 0.00 O ATOM 847 CB PRO A 56 8.812 -3.492 -6.513 1.00 0.00 C ATOM 848 CG PRO A 56 9.196 -2.589 -5.369 1.00 0.00 C ATOM 849 CD PRO A 56 8.101 -1.529 -5.255 1.00 0.00 C ATOM 0 HA PRO A 56 6.868 -3.644 -7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.158 -4.512 -6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.256 -3.155 -7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.283 -3.156 -4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.165 -2.125 -5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.784 -1.395 -4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.448 -0.559 -5.611 1.00 0.00 H new ATOM 857 N LEU A 57 5.272 -4.725 -5.951 1.00 0.00 N ATOM 858 CA LEU A 57 4.417 -5.610 -5.135 1.00 0.00 C ATOM 859 C LEU A 57 4.853 -7.075 -5.276 1.00 0.00 C ATOM 860 O LEU A 57 4.792 -7.847 -4.313 1.00 0.00 O ATOM 861 CB LEU A 57 2.927 -5.460 -5.540 1.00 0.00 C ATOM 862 CG LEU A 57 1.920 -6.304 -4.695 1.00 0.00 C ATOM 863 CD1 LEU A 57 1.947 -5.893 -3.204 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.500 -6.231 -5.290 1.00 0.00 C ATOM 0 H LEU A 57 4.787 -4.314 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 57 4.529 -5.313 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.650 -4.409 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.822 -5.741 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 57 2.237 -7.346 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.234 -6.501 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.948 -6.047 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.677 -4.841 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.180 -6.827 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.163 -5.194 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.512 -6.619 -6.308 1.00 0.00 H new ATOM 876 N GLU A 58 5.308 -7.421 -6.494 1.00 0.00 N ATOM 877 CA GLU A 58 5.813 -8.759 -6.841 1.00 0.00 C ATOM 878 C GLU A 58 6.972 -9.167 -5.916 1.00 0.00 C ATOM 879 O GLU A 58 7.080 -10.328 -5.507 1.00 0.00 O ATOM 880 CB GLU A 58 6.259 -8.792 -8.332 1.00 0.00 C ATOM 881 CG GLU A 58 7.328 -7.738 -8.719 1.00 0.00 C ATOM 882 CD GLU A 58 7.709 -7.773 -10.209 1.00 0.00 C ATOM 883 OE1 GLU A 58 8.550 -8.615 -10.601 1.00 0.00 O ATOM 884 OE2 GLU A 58 7.162 -6.970 -10.999 1.00 0.00 O ATOM 0 H GLU A 58 5.335 -6.767 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 58 5.007 -9.479 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.651 -9.784 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.381 -8.646 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.955 -6.745 -8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.223 -7.902 -8.119 1.00 0.00 H new ATOM 891 N LYS A 59 7.808 -8.175 -5.564 1.00 0.00 N ATOM 892 CA LYS A 59 8.997 -8.388 -4.739 1.00 0.00 C ATOM 893 C LYS A 59 8.652 -8.286 -3.240 1.00 0.00 C ATOM 894 O LYS A 59 9.239 -8.991 -2.431 1.00 0.00 O ATOM 895 CB LYS A 59 10.121 -7.392 -5.107 1.00 0.00 C ATOM 896 CG LYS A 59 11.534 -7.857 -4.672 1.00 0.00 C ATOM 897 CD LYS A 59 12.587 -6.734 -4.767 1.00 0.00 C ATOM 898 CE LYS A 59 12.342 -5.622 -3.733 1.00 0.00 C ATOM 899 NZ LYS A 59 12.475 -6.130 -2.346 1.00 0.00 N ATOM 0 H LYS A 59 7.673 -7.204 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 59 9.362 -9.395 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.116 -7.235 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.907 -6.429 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.491 -8.223 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.845 -8.694 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.581 -7.156 -4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.571 -6.306 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.052 -4.811 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.345 -5.205 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.563 -6.039 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.759 -7.130 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.197 -5.577 -1.841 1.00 0.00 H new ATOM 913 N TRP A 60 7.697 -7.390 -2.885 1.00 0.00 N ATOM 914 CA TRP A 60 7.223 -7.203 -1.481 1.00 0.00 C ATOM 915 C TRP A 60 6.569 -8.490 -0.944 1.00 0.00 C ATOM 916 O TRP A 60 6.814 -8.897 0.202 1.00 0.00 O ATOM 917 CB TRP A 60 6.220 -6.016 -1.378 1.00 0.00 C ATOM 918 CG TRP A 60 6.829 -4.635 -1.513 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.082 -4.298 -1.951 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.190 -3.401 -1.176 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.241 -2.941 -1.925 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.100 -2.369 -1.447 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.931 -3.072 -0.674 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.796 -1.029 -1.236 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.632 -1.744 -0.457 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.559 -0.735 -0.744 1.00 0.00 C ATOM 0 H TRP A 60 7.233 -6.778 -3.556 1.00 0.00 H new ATOM 0 HA TRP A 60 8.096 -6.972 -0.871 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.461 -6.136 -2.151 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.709 -6.077 -0.417 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.835 -5.003 -2.271 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.079 -2.437 -2.216 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.205 -3.842 -0.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.512 -0.251 -1.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.665 -1.477 -0.058 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.289 0.296 -0.572 1.00 0.00 H new ATOM 937 N THR A 61 5.735 -9.108 -1.791 1.00 0.00 N ATOM 938 CA THR A 61 5.125 -10.420 -1.531 1.00 0.00 C ATOM 939 C THR A 61 6.214 -11.521 -1.446 1.00 0.00 C ATOM 940 O THR A 61 6.087 -12.456 -0.658 1.00 0.00 O ATOM 941 CB THR A 61 4.076 -10.762 -2.644 1.00 0.00 C ATOM 942 OG1 THR A 61 3.085 -9.718 -2.715 1.00 0.00 O ATOM 943 CG2 THR A 61 3.368 -12.115 -2.411 1.00 0.00 C ATOM 0 H THR A 61 5.461 -8.706 -2.688 1.00 0.00 H new ATOM 0 HA THR A 61 4.609 -10.379 -0.572 1.00 0.00 H new ATOM 0 HB THR A 61 4.627 -10.839 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.445 -8.959 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.654 -12.295 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.108 -12.915 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.842 -12.091 -1.457 1.00 0.00 H new ATOM 951 N GLN A 62 7.300 -11.369 -2.237 1.00 0.00 N ATOM 952 CA GLN A 62 8.428 -12.325 -2.262 1.00 0.00 C ATOM 953 C GLN A 62 9.287 -12.225 -0.980 1.00 0.00 C ATOM 954 O GLN A 62 9.880 -13.231 -0.551 1.00 0.00 O ATOM 955 CB GLN A 62 9.291 -12.118 -3.534 1.00 0.00 C ATOM 956 CG GLN A 62 10.473 -13.100 -3.693 1.00 0.00 C ATOM 957 CD GLN A 62 10.051 -14.576 -3.715 1.00 0.00 C ATOM 958 OE1 GLN A 62 8.977 -14.926 -4.204 1.00 0.00 O ATOM 959 NE2 GLN A 62 10.876 -15.446 -3.158 1.00 0.00 N ATOM 0 H GLN A 62 7.418 -10.582 -2.874 1.00 0.00 H new ATOM 0 HA GLN A 62 8.012 -13.332 -2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.647 -12.205 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.683 -11.101 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.004 -12.869 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.176 -12.944 -2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.760 -15.128 -2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.629 -16.435 -3.126 1.00 0.00 H new ATOM 968 N GLU A 63 9.348 -11.020 -0.369 1.00 0.00 N ATOM 969 CA GLU A 63 9.988 -10.824 0.955 1.00 0.00 C ATOM 970 C GLU A 63 9.297 -11.724 1.998 1.00 0.00 C ATOM 971 O GLU A 63 9.944 -12.349 2.840 1.00 0.00 O ATOM 972 CB GLU A 63 9.910 -9.344 1.423 1.00 0.00 C ATOM 973 CG GLU A 63 10.433 -8.295 0.420 1.00 0.00 C ATOM 974 CD GLU A 63 11.897 -8.492 -0.017 1.00 0.00 C ATOM 975 OE1 GLU A 63 12.803 -8.293 0.820 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.144 -8.833 -1.198 1.00 0.00 O ATOM 0 H GLU A 63 8.961 -10.166 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 63 11.040 -11.091 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.871 -9.110 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.474 -9.246 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.799 -8.313 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.332 -7.305 0.865 1.00 0.00 H new ATOM 983 N VAL A 64 7.960 -11.803 1.878 1.00 0.00 N ATOM 984 CA VAL A 64 7.115 -12.655 2.728 1.00 0.00 C ATOM 985 C VAL A 64 7.364 -14.145 2.415 1.00 0.00 C ATOM 986 O VAL A 64 7.573 -14.949 3.330 1.00 0.00 O ATOM 987 CB VAL A 64 5.586 -12.315 2.543 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.702 -13.142 3.508 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.340 -10.793 2.692 1.00 0.00 C ATOM 0 H VAL A 64 7.434 -11.273 1.183 1.00 0.00 H new ATOM 0 HA VAL A 64 7.385 -12.458 3.766 1.00 0.00 H new ATOM 0 HB VAL A 64 5.296 -12.597 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.654 -12.883 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.846 -14.205 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.983 -12.921 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.279 -10.581 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.655 -10.469 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.913 -10.256 1.936 1.00 0.00 H new ATOM 999 N ASN A 65 7.370 -14.484 1.106 1.00 0.00 N ATOM 1000 CA ASN A 65 7.531 -15.874 0.608 1.00 0.00 C ATOM 1001 C ASN A 65 8.838 -16.531 1.096 1.00 0.00 C ATOM 1002 O ASN A 65 8.840 -17.693 1.521 1.00 0.00 O ATOM 1003 CB ASN A 65 7.488 -15.927 -0.950 1.00 0.00 C ATOM 1004 CG ASN A 65 6.185 -15.406 -1.562 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.128 -15.421 -0.935 1.00 0.00 O ATOM 1006 ND2 ASN A 65 6.245 -14.968 -2.810 1.00 0.00 N ATOM 0 H ASN A 65 7.263 -13.798 0.359 1.00 0.00 H new ATOM 0 HA ASN A 65 6.691 -16.435 1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.320 -15.344 -1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.640 -16.957 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.401 -14.632 -3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.135 -14.966 -3.308 1.00 0.00 H new ATOM 1013 N ASP A 66 9.945 -15.768 1.034 1.00 0.00 N ATOM 1014 CA ASP A 66 11.301 -16.249 1.375 1.00 0.00 C ATOM 1015 C ASP A 66 11.580 -16.118 2.894 1.00 0.00 C ATOM 1016 O ASP A 66 12.521 -16.727 3.411 1.00 0.00 O ATOM 1017 CB ASP A 66 12.353 -15.459 0.545 1.00 0.00 C ATOM 1018 CG ASP A 66 13.798 -15.978 0.715 1.00 0.00 C ATOM 1019 OD1 ASP A 66 14.111 -17.073 0.195 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.624 -15.301 1.359 1.00 0.00 O ATOM 0 H ASP A 66 9.925 -14.791 0.743 1.00 0.00 H new ATOM 0 HA ASP A 66 11.371 -17.308 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.081 -15.507 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.317 -14.409 0.835 1.00 0.00 H new ATOM 1025 N GLY A 67 10.725 -15.359 3.606 1.00 0.00 N ATOM 1026 CA GLY A 67 10.892 -15.124 5.045 1.00 0.00 C ATOM 1027 C GLY A 67 11.847 -13.978 5.376 1.00 0.00 C ATOM 1028 O GLY A 67 12.339 -13.888 6.504 1.00 0.00 O ATOM 0 H GLY A 67 9.910 -14.898 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.918 -14.911 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.260 -16.037 5.513 1.00 0.00 H new ATOM 1032 N LYS A 68 12.099 -13.096 4.388 1.00 0.00 N ATOM 1033 CA LYS A 68 12.858 -11.839 4.589 1.00 0.00 C ATOM 1034 C LYS A 68 12.089 -10.894 5.534 1.00 0.00 C ATOM 1035 O LYS A 68 12.679 -10.186 6.353 1.00 0.00 O ATOM 1036 CB LYS A 68 13.076 -11.118 3.233 1.00 0.00 C ATOM 1037 CG LYS A 68 13.983 -11.855 2.226 1.00 0.00 C ATOM 1038 CD LYS A 68 15.469 -11.885 2.665 1.00 0.00 C ATOM 1039 CE LYS A 68 16.393 -12.440 1.570 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.819 -12.379 1.967 1.00 0.00 N ATOM 0 H LYS A 68 11.783 -13.232 3.428 1.00 0.00 H new ATOM 0 HA LYS A 68 13.822 -12.093 5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.104 -10.955 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.504 -10.135 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.625 -12.877 2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.906 -11.370 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.787 -10.876 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.567 -12.495 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.120 -13.473 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.248 -11.873 0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.409 -12.763 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.087 -11.391 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.963 -12.941 2.830 1.00 0.00 H new ATOM 1054 N ALA A 69 10.757 -10.941 5.417 1.00 0.00 N ATOM 1055 CA ALA A 69 9.844 -10.037 6.122 1.00 0.00 C ATOM 1056 C ALA A 69 8.454 -10.662 6.202 1.00 0.00 C ATOM 1057 O ALA A 69 8.193 -11.711 5.599 1.00 0.00 O ATOM 1058 CB ALA A 69 9.792 -8.668 5.424 1.00 0.00 C ATOM 0 H ALA A 69 10.278 -11.617 4.822 1.00 0.00 H new ATOM 0 HA ALA A 69 10.213 -9.881 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.109 -8.011 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.788 -8.226 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.442 -8.795 4.400 1.00 0.00 H new ATOM 1064 N THR A 70 7.584 -10.018 6.977 1.00 0.00 N ATOM 1065 CA THR A 70 6.192 -10.440 7.151 1.00 0.00 C ATOM 1066 C THR A 70 5.252 -9.587 6.289 1.00 0.00 C ATOM 1067 O THR A 70 5.588 -8.461 5.884 1.00 0.00 O ATOM 1068 CB THR A 70 5.791 -10.367 8.664 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.079 -9.059 9.189 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.526 -11.441 9.497 1.00 0.00 C ATOM 0 H THR A 70 7.826 -9.181 7.507 1.00 0.00 H new ATOM 0 HA THR A 70 6.097 -11.474 6.820 1.00 0.00 H new ATOM 0 HB THR A 70 4.720 -10.560 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.824 -9.022 10.134 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.224 -11.361 10.541 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.271 -12.431 9.120 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.602 -11.289 9.418 1.00 0.00 H new ATOM 1078 N THR A 71 4.073 -10.170 6.015 1.00 0.00 N ATOM 1079 CA THR A 71 2.990 -9.546 5.235 1.00 0.00 C ATOM 1080 C THR A 71 2.539 -8.226 5.898 1.00 0.00 C ATOM 1081 O THR A 71 2.175 -7.264 5.227 1.00 0.00 O ATOM 1082 CB THR A 71 1.775 -10.534 5.121 1.00 0.00 C ATOM 1083 OG1 THR A 71 2.245 -11.885 5.099 1.00 0.00 O ATOM 1084 CG2 THR A 71 0.940 -10.290 3.862 1.00 0.00 C ATOM 0 H THR A 71 3.841 -11.110 6.337 1.00 0.00 H new ATOM 0 HA THR A 71 3.363 -9.323 4.236 1.00 0.00 H new ATOM 0 HB THR A 71 1.142 -10.357 5.991 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.482 -12.496 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.113 -10.999 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.546 -9.274 3.878 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.565 -10.423 2.979 1.00 0.00 H new ATOM 1092 N GLU A 72 2.637 -8.216 7.234 1.00 0.00 N ATOM 1093 CA GLU A 72 2.310 -7.079 8.092 1.00 0.00 C ATOM 1094 C GLU A 72 3.105 -5.814 7.692 1.00 0.00 C ATOM 1095 O GLU A 72 2.546 -4.719 7.598 1.00 0.00 O ATOM 1096 CB GLU A 72 2.609 -7.492 9.562 1.00 0.00 C ATOM 1097 CG GLU A 72 2.331 -6.411 10.613 1.00 0.00 C ATOM 1098 CD GLU A 72 2.592 -6.874 12.053 1.00 0.00 C ATOM 1099 OE1 GLU A 72 3.769 -6.906 12.464 1.00 0.00 O ATOM 1100 OE2 GLU A 72 1.627 -7.215 12.772 1.00 0.00 O ATOM 0 H GLU A 72 2.957 -9.029 7.761 1.00 0.00 H new ATOM 0 HA GLU A 72 1.256 -6.823 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.014 -8.373 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.656 -7.786 9.634 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.953 -5.541 10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.293 -6.089 10.526 1.00 0.00 H new ATOM 1107 N GLN A 73 4.395 -6.011 7.380 1.00 0.00 N ATOM 1108 CA GLN A 73 5.348 -4.921 7.091 1.00 0.00 C ATOM 1109 C GLN A 73 5.031 -4.189 5.757 1.00 0.00 C ATOM 1110 O GLN A 73 5.448 -3.040 5.559 1.00 0.00 O ATOM 1111 CB GLN A 73 6.788 -5.508 7.079 1.00 0.00 C ATOM 1112 CG GLN A 73 7.927 -4.473 6.919 1.00 0.00 C ATOM 1113 CD GLN A 73 9.331 -5.085 6.962 1.00 0.00 C ATOM 1114 OE1 GLN A 73 9.563 -6.105 7.617 1.00 0.00 O ATOM 1115 NE2 GLN A 73 10.275 -4.464 6.269 1.00 0.00 N ATOM 0 H GLN A 73 4.813 -6.939 7.320 1.00 0.00 H new ATOM 0 HA GLN A 73 5.259 -4.168 7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.946 -6.056 8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.860 -6.231 6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.798 -3.949 5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.842 -3.728 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.048 -3.623 5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.228 -4.827 6.266 1.00 0.00 H new ATOM 1124 N TYR A 74 4.292 -4.852 4.844 1.00 0.00 N ATOM 1125 CA TYR A 74 4.024 -4.304 3.484 1.00 0.00 C ATOM 1126 C TYR A 74 2.527 -4.142 3.179 1.00 0.00 C ATOM 1127 O TYR A 74 2.176 -3.574 2.140 1.00 0.00 O ATOM 1128 CB TYR A 74 4.691 -5.210 2.416 1.00 0.00 C ATOM 1129 CG TYR A 74 6.216 -5.289 2.554 1.00 0.00 C ATOM 1130 CD1 TYR A 74 7.014 -4.175 2.274 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.852 -6.457 2.966 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.384 -4.230 2.399 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.222 -6.511 3.090 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.984 -5.400 2.806 1.00 0.00 C ATOM 1135 OH TYR A 74 10.350 -5.457 2.933 1.00 0.00 O ATOM 0 H TYR A 74 3.869 -5.764 5.016 1.00 0.00 H new ATOM 0 HA TYR A 74 4.455 -3.303 3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.274 -6.214 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.442 -4.834 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.547 -3.255 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.262 -7.333 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.985 -3.360 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.699 -7.425 3.410 1.00 0.00 H new ATOM 0 HH TYR A 74 10.614 -6.353 3.230 1.00 0.00 H new ATOM 1145 N PHE A 75 1.640 -4.616 4.075 1.00 0.00 N ATOM 1146 CA PHE A 75 0.181 -4.652 3.807 1.00 0.00 C ATOM 1147 C PHE A 75 -0.645 -3.970 4.911 1.00 0.00 C ATOM 1148 O PHE A 75 -1.747 -3.495 4.617 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.296 -6.109 3.547 1.00 0.00 C ATOM 1150 CG PHE A 75 0.166 -6.687 2.199 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.385 -7.358 2.072 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.625 -6.554 1.062 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.802 -7.863 0.854 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.211 -7.061 -0.158 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.998 -7.723 -0.260 1.00 0.00 C ATOM 0 H PHE A 75 1.903 -4.980 4.991 1.00 0.00 H new ATOM 0 HA PHE A 75 0.008 -4.071 2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.070 -6.749 4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.385 -6.137 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.013 -7.485 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.576 -6.048 1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.754 -8.366 0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.834 -6.939 -1.032 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.313 -8.130 -1.209 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.148 -3.918 6.176 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.774 -3.044 7.204 1.00 0.00 C ATOM 1167 C VAL A 76 -0.670 -1.602 6.713 1.00 0.00 C ATOM 1168 O VAL A 76 0.415 -1.156 6.419 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.133 -3.175 8.638 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.662 -2.090 9.613 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.389 -4.577 9.215 1.00 0.00 C ATOM 0 H VAL A 76 0.658 -4.452 6.501 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.810 -3.361 7.323 1.00 0.00 H new ATOM 0 HB VAL A 76 0.941 -3.023 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.194 -2.218 10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.422 -1.101 9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.743 -2.187 9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.060 -4.650 10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.463 -4.749 9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.054 -5.327 8.559 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.803 -0.902 6.666 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.963 0.325 5.879 1.00 0.00 C ATOM 1183 C LEU A 77 -0.968 1.425 6.288 1.00 0.00 C ATOM 1184 O LEU A 77 -0.525 2.188 5.437 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.412 0.843 5.973 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.532 -0.174 5.600 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.904 0.510 5.569 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.225 -0.916 4.278 1.00 0.00 C ATOM 0 H LEU A 77 -2.644 -1.171 7.177 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.742 0.068 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.587 1.187 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.508 1.712 5.322 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.560 -0.934 6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.669 -0.221 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.124 0.929 6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.896 1.309 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.032 -1.615 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.138 -0.193 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.288 -1.464 4.377 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.649 1.508 7.596 1.00 0.00 N ATOM 1201 CA LYS A 78 0.367 2.461 8.103 1.00 0.00 C ATOM 1202 C LYS A 78 1.808 2.073 7.668 1.00 0.00 C ATOM 1203 O LYS A 78 2.622 2.953 7.383 1.00 0.00 O ATOM 1204 CB LYS A 78 0.235 2.656 9.652 1.00 0.00 C ATOM 1205 CG LYS A 78 0.389 1.397 10.556 1.00 0.00 C ATOM 1206 CD LYS A 78 1.851 0.997 10.839 1.00 0.00 C ATOM 1207 CE LYS A 78 1.986 -0.142 11.863 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.650 0.295 13.238 1.00 0.00 N ATOM 0 H LYS A 78 -1.077 0.930 8.320 1.00 0.00 H new ATOM 0 HA LYS A 78 0.169 3.428 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.983 3.386 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.742 3.095 9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.116 1.581 11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.120 0.558 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.324 0.694 9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.394 1.869 11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.332 -0.965 11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.006 -0.525 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.788 -0.497 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.268 1.085 13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.658 0.604 13.271 1.00 0.00 H new ATOM 1222 N ASN A 79 2.104 0.754 7.618 1.00 0.00 N ATOM 1223 CA ASN A 79 3.412 0.209 7.165 1.00 0.00 C ATOM 1224 C ASN A 79 3.563 0.384 5.652 1.00 0.00 C ATOM 1225 O ASN A 79 4.600 0.828 5.175 1.00 0.00 O ATOM 1226 CB ASN A 79 3.544 -1.301 7.541 1.00 0.00 C ATOM 1227 CG ASN A 79 3.854 -1.556 9.015 1.00 0.00 C ATOM 1228 OD1 ASN A 79 4.549 -0.773 9.662 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.338 -2.647 9.552 1.00 0.00 N ATOM 0 H ASN A 79 1.440 0.030 7.892 1.00 0.00 H new ATOM 0 HA ASN A 79 4.204 0.762 7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.615 -1.810 7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.331 -1.747 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.511 -2.863 10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.766 -3.273 8.985 1.00 0.00 H new ATOM 1236 N LEU A 80 2.512 -0.011 4.928 1.00 0.00 N ATOM 1237 CA LEU A 80 2.340 0.212 3.488 1.00 0.00 C ATOM 1238 C LEU A 80 2.576 1.689 3.127 1.00 0.00 C ATOM 1239 O LEU A 80 3.384 1.993 2.261 1.00 0.00 O ATOM 1240 CB LEU A 80 0.898 -0.218 3.089 1.00 0.00 C ATOM 1241 CG LEU A 80 0.439 0.114 1.632 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.291 -0.625 0.572 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.073 -0.161 1.452 1.00 0.00 C ATOM 0 H LEU A 80 1.728 -0.514 5.343 1.00 0.00 H new ATOM 0 HA LEU A 80 3.072 -0.382 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.813 -1.295 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.200 0.254 3.780 1.00 0.00 H new ATOM 0 HG LEU A 80 0.602 1.180 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.937 -0.365 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.335 -0.330 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.202 -1.701 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.367 0.078 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.278 -1.213 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.641 0.458 2.147 1.00 0.00 H new ATOM 1255 N ALA A 81 1.898 2.590 3.861 1.00 0.00 N ATOM 1256 CA ALA A 81 1.961 4.049 3.636 1.00 0.00 C ATOM 1257 C ALA A 81 3.311 4.631 4.068 1.00 0.00 C ATOM 1258 O ALA A 81 3.680 5.713 3.628 1.00 0.00 O ATOM 1259 CB ALA A 81 0.820 4.753 4.376 1.00 0.00 C ATOM 0 H ALA A 81 1.286 2.326 4.633 1.00 0.00 H new ATOM 0 HA ALA A 81 1.852 4.222 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.880 5.827 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.136 4.379 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.903 4.555 5.445 1.00 0.00 H new ATOM 1265 N ALA A 82 4.014 3.913 4.961 1.00 0.00 N ATOM 1266 CA ALA A 82 5.387 4.263 5.367 1.00 0.00 C ATOM 1267 C ALA A 82 6.387 3.876 4.264 1.00 0.00 C ATOM 1268 O ALA A 82 7.349 4.600 4.012 1.00 0.00 O ATOM 1269 CB ALA A 82 5.758 3.588 6.695 1.00 0.00 C ATOM 0 H ALA A 82 3.649 3.078 5.420 1.00 0.00 H new ATOM 0 HA ALA A 82 5.433 5.342 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.776 3.863 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.070 3.915 7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.692 2.506 6.584 1.00 0.00 H new ATOM 1275 N ARG A 83 6.158 2.710 3.626 1.00 0.00 N ATOM 1276 CA ARG A 83 6.960 2.243 2.482 1.00 0.00 C ATOM 1277 C ARG A 83 6.689 3.089 1.218 1.00 0.00 C ATOM 1278 O ARG A 83 7.574 3.273 0.392 1.00 0.00 O ATOM 1279 CB ARG A 83 6.687 0.741 2.186 1.00 0.00 C ATOM 1280 CG ARG A 83 7.014 -0.256 3.329 1.00 0.00 C ATOM 1281 CD ARG A 83 8.400 -0.010 3.965 1.00 0.00 C ATOM 1282 NE ARG A 83 9.505 0.037 2.982 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.737 0.532 3.228 1.00 0.00 C ATOM 1284 NH1 ARG A 83 11.044 1.070 4.407 1.00 0.00 N ATOM 1285 NH2 ARG A 83 11.638 0.542 2.266 1.00 0.00 N ATOM 0 H ARG A 83 5.411 2.067 3.891 1.00 0.00 H new ATOM 0 HA ARG A 83 8.009 2.362 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.634 0.630 1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.265 0.455 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.248 -0.180 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.974 -1.273 2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.375 0.930 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.603 -0.799 4.689 1.00 0.00 H new ATOM 0 HE ARG A 83 9.322 -0.332 2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.342 1.114 5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.981 1.438 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.403 0.177 1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.571 0.914 2.445 1.00 0.00 H new ATOM 1299 N ILE A 84 5.456 3.582 1.078 1.00 0.00 N ATOM 1300 CA ILE A 84 5.072 4.498 -0.014 1.00 0.00 C ATOM 1301 C ILE A 84 5.652 5.894 0.265 1.00 0.00 C ATOM 1302 O ILE A 84 6.118 6.564 -0.651 1.00 0.00 O ATOM 1303 CB ILE A 84 3.506 4.546 -0.187 1.00 0.00 C ATOM 1304 CG1 ILE A 84 2.991 3.143 -0.639 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.039 5.661 -1.167 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.488 2.995 -0.670 1.00 0.00 C ATOM 0 H ILE A 84 4.691 3.361 1.716 1.00 0.00 H new ATOM 0 HA ILE A 84 5.484 4.130 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 84 3.072 4.800 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.383 2.932 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.402 2.388 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.952 5.645 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.361 6.633 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.476 5.488 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.228 1.988 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.085 3.169 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.065 3.721 -1.364 1.00 0.00 H new ATOM 1318 N ASP A 85 5.617 6.307 1.545 1.00 0.00 N ATOM 1319 CA ASP A 85 6.308 7.527 2.029 1.00 0.00 C ATOM 1320 C ASP A 85 7.821 7.466 1.756 1.00 0.00 C ATOM 1321 O ASP A 85 8.429 8.476 1.422 1.00 0.00 O ATOM 1322 CB ASP A 85 6.046 7.752 3.538 1.00 0.00 C ATOM 1323 CG ASP A 85 6.677 9.047 4.090 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.175 10.141 3.765 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.657 8.978 4.862 1.00 0.00 O ATOM 0 H ASP A 85 5.111 5.808 2.276 1.00 0.00 H new ATOM 0 HA ASP A 85 5.898 8.371 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.970 7.780 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.436 6.901 4.096 1.00 0.00 H new ATOM 1330 N GLU A 86 8.400 6.267 1.910 1.00 0.00 N ATOM 1331 CA GLU A 86 9.807 5.978 1.579 1.00 0.00 C ATOM 1332 C GLU A 86 10.075 6.270 0.081 1.00 0.00 C ATOM 1333 O GLU A 86 11.053 6.925 -0.263 1.00 0.00 O ATOM 1334 CB GLU A 86 10.095 4.484 1.903 1.00 0.00 C ATOM 1335 CG GLU A 86 11.539 3.998 1.671 1.00 0.00 C ATOM 1336 CD GLU A 86 12.526 4.461 2.755 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.596 3.815 3.825 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.241 5.462 2.544 1.00 0.00 O ATOM 0 H GLU A 86 7.898 5.457 2.273 1.00 0.00 H new ATOM 0 HA GLU A 86 10.466 6.615 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.838 4.305 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.427 3.869 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.544 2.909 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.883 4.357 0.701 1.00 0.00 H new ATOM 1345 N LEU A 87 9.173 5.758 -0.784 1.00 0.00 N ATOM 1346 CA LEU A 87 9.250 5.920 -2.256 1.00 0.00 C ATOM 1347 C LEU A 87 9.028 7.387 -2.721 1.00 0.00 C ATOM 1348 O LEU A 87 9.714 7.855 -3.637 1.00 0.00 O ATOM 1349 CB LEU A 87 8.229 4.975 -2.948 1.00 0.00 C ATOM 1350 CG LEU A 87 8.421 3.447 -2.684 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.278 2.617 -3.309 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.812 2.956 -3.159 1.00 0.00 C ATOM 0 H LEU A 87 8.364 5.216 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 87 10.264 5.651 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.227 5.256 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.277 5.146 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 87 8.378 3.295 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.444 1.559 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.326 2.925 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.257 2.781 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.909 1.889 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.915 3.135 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.592 3.498 -2.623 1.00 0.00 H new ATOM 1364 N VAL A 88 8.060 8.108 -2.110 1.00 0.00 N ATOM 1365 CA VAL A 88 7.758 9.516 -2.492 1.00 0.00 C ATOM 1366 C VAL A 88 8.827 10.478 -1.945 1.00 0.00 C ATOM 1367 O VAL A 88 9.063 11.546 -2.513 1.00 0.00 O ATOM 1368 CB VAL A 88 6.314 9.987 -2.055 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.230 9.030 -2.610 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.178 10.147 -0.518 1.00 0.00 C ATOM 0 H VAL A 88 7.476 7.746 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 88 7.778 9.543 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 88 6.161 10.976 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.245 9.375 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.280 9.016 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.402 8.024 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.167 10.472 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.379 9.191 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.893 10.890 -0.165 1.00 0.00 H new ATOM 1380 N ALA A 89 9.446 10.101 -0.824 1.00 0.00 N ATOM 1381 CA ALA A 89 10.597 10.832 -0.272 1.00 0.00 C ATOM 1382 C ALA A 89 11.874 10.516 -1.072 1.00 0.00 C ATOM 1383 O ALA A 89 12.790 11.332 -1.118 1.00 0.00 O ATOM 1384 CB ALA A 89 10.785 10.498 1.210 1.00 0.00 C ATOM 0 H ALA A 89 9.169 9.288 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 89 10.400 11.901 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.641 11.048 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.889 10.780 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.959 9.428 1.323 1.00 0.00 H new ATOM 1390 N ALA A 90 11.942 9.292 -1.648 1.00 0.00 N ATOM 1391 CA ALA A 90 13.003 8.902 -2.604 1.00 0.00 C ATOM 1392 C ALA A 90 13.055 9.826 -3.834 1.00 0.00 C ATOM 1393 O ALA A 90 14.139 10.282 -4.217 1.00 0.00 O ATOM 1394 CB ALA A 90 12.823 7.446 -3.050 1.00 0.00 C ATOM 0 H ALA A 90 11.266 8.551 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 90 13.952 9.004 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.613 7.180 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.874 6.790 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.853 7.331 -3.535 1.00 0.00 H new