USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 23:sc= 0.826 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= -0.127 (180deg=-1.09) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -7.6! C(o=-7.6!,f=-3.6!) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= -4.02! (180deg=-4.07!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 109:sc= 0.835 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 133:sc= 1.4 USER MOD Single : A 36 GLN : amide:sc= -13.3! C(o=-13!,f=-9.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.48 X(o=-1.5,f=-2!) USER MOD Single : A 55 ASN : amide:sc= -7.03! C(o=-7!,f=-7!) USER MOD Single : A 60 THR OG1 : rot -63:sc= 0.95 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -107:sc= -1.25! USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -8.510 -9.718 1.267 1.00 0.00 N ATOM 12 CA SER A 2 -8.492 -8.662 2.321 1.00 0.00 C ATOM 13 C SER A 2 -7.637 -7.495 1.858 1.00 0.00 C ATOM 14 O SER A 2 -7.320 -6.612 2.627 1.00 0.00 O ATOM 15 CB SER A 2 -7.886 -9.221 3.606 1.00 0.00 C ATOM 16 OG SER A 2 -7.480 -10.566 3.390 1.00 0.00 O ATOM 0 HA SER A 2 -9.515 -8.332 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.032 -8.616 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.615 -9.175 4.415 1.00 0.00 H new ATOM 0 HG SER A 2 -7.337 -10.715 2.432 1.00 0.00 H new ATOM 22 N ALA A 3 -7.250 -7.478 0.624 1.00 0.00 N ATOM 23 CA ALA A 3 -6.405 -6.360 0.152 1.00 0.00 C ATOM 24 C ALA A 3 -7.264 -5.118 -0.038 1.00 0.00 C ATOM 25 O ALA A 3 -6.820 -4.004 0.161 1.00 0.00 O ATOM 26 CB ALA A 3 -5.770 -6.735 -1.176 1.00 0.00 C ATOM 0 H ALA A 3 -7.479 -8.184 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.627 -6.158 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.146 -5.912 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.156 -7.626 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.551 -6.936 -1.909 1.00 0.00 H new ATOM 32 N LYS A 4 -8.498 -5.299 -0.403 1.00 0.00 N ATOM 33 CA LYS A 4 -9.386 -4.124 -0.586 1.00 0.00 C ATOM 34 C LYS A 4 -9.871 -3.693 0.794 1.00 0.00 C ATOM 35 O LYS A 4 -10.011 -2.524 1.084 1.00 0.00 O ATOM 36 CB LYS A 4 -10.566 -4.503 -1.491 1.00 0.00 C ATOM 37 CG LYS A 4 -11.668 -3.432 -1.404 1.00 0.00 C ATOM 38 CD LYS A 4 -12.251 -3.172 -2.801 1.00 0.00 C ATOM 39 CE LYS A 4 -11.337 -2.214 -3.574 1.00 0.00 C ATOM 40 NZ LYS A 4 -11.725 -0.807 -3.273 1.00 0.00 N ATOM 0 H LYS A 4 -8.929 -6.206 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.854 -3.301 -1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.226 -4.602 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.966 -5.472 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.456 -3.762 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.259 -2.509 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.351 -4.112 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.250 -2.746 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.297 -2.383 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.416 -2.403 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.106 -0.156 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.713 -0.650 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.628 -0.631 -2.253 1.00 0.00 H new ATOM 54 N ARG A 5 -10.107 -4.643 1.655 1.00 0.00 N ATOM 55 CA ARG A 5 -10.555 -4.317 3.033 1.00 0.00 C ATOM 56 C ARG A 5 -9.476 -3.486 3.714 1.00 0.00 C ATOM 57 O ARG A 5 -9.726 -2.424 4.251 1.00 0.00 O ATOM 58 CB ARG A 5 -10.713 -5.620 3.811 1.00 0.00 C ATOM 59 CG ARG A 5 -11.556 -5.384 5.067 1.00 0.00 C ATOM 60 CD ARG A 5 -13.038 -5.530 4.718 1.00 0.00 C ATOM 61 NE ARG A 5 -13.866 -4.654 5.606 1.00 0.00 N ATOM 62 CZ ARG A 5 -13.646 -4.596 6.894 1.00 0.00 C ATOM 63 NH1 ARG A 5 -12.766 -5.378 7.452 1.00 0.00 N ATOM 64 NH2 ARG A 5 -14.337 -3.770 7.632 1.00 0.00 N ATOM 0 H ARG A 5 -10.007 -5.639 1.459 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.497 -3.769 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.187 -6.373 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.733 -6.008 4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.281 -6.099 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.361 -4.389 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.202 -5.261 3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.345 -6.570 4.831 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.615 -4.093 5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.241 -6.043 6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.602 -5.325 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.045 -3.173 7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.169 -3.721 8.637 1.00 0.00 H new ATOM 78 N VAL A 6 -8.274 -3.981 3.694 1.00 0.00 N ATOM 79 CA VAL A 6 -7.148 -3.259 4.334 1.00 0.00 C ATOM 80 C VAL A 6 -6.989 -1.891 3.659 1.00 0.00 C ATOM 81 O VAL A 6 -6.740 -0.890 4.302 1.00 0.00 O ATOM 82 CB VAL A 6 -5.871 -4.123 4.182 1.00 0.00 C ATOM 83 CG1 VAL A 6 -4.959 -3.580 3.081 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.108 -4.175 5.517 1.00 0.00 C ATOM 0 H VAL A 6 -8.022 -4.867 3.255 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.332 -3.092 5.395 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.178 -5.130 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.072 -4.209 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.494 -3.583 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.660 -2.561 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.212 -4.785 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.824 -3.165 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.747 -4.612 6.284 1.00 0.00 H new ATOM 94 N PHE A 7 -7.147 -1.848 2.366 1.00 0.00 N ATOM 95 CA PHE A 7 -7.015 -0.548 1.650 1.00 0.00 C ATOM 96 C PHE A 7 -8.148 0.382 2.104 1.00 0.00 C ATOM 97 O PHE A 7 -7.914 1.520 2.459 1.00 0.00 O ATOM 98 CB PHE A 7 -7.063 -0.776 0.131 1.00 0.00 C ATOM 99 CG PHE A 7 -7.308 0.521 -0.625 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.157 1.775 -0.010 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.702 0.462 -1.966 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.407 2.940 -0.730 1.00 0.00 C ATOM 103 CE2 PHE A 7 -7.954 1.639 -2.672 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.808 2.875 -2.049 1.00 0.00 C ATOM 0 H PHE A 7 -7.361 -2.652 1.776 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.057 -0.085 1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.124 -1.219 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.852 -1.490 -0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.847 1.835 1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.811 -0.495 -2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.286 3.901 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.263 1.591 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.009 3.783 -2.598 1.00 0.00 H new ATOM 114 N GLU A 8 -9.366 -0.073 2.131 1.00 0.00 N ATOM 115 CA GLU A 8 -10.462 0.827 2.588 1.00 0.00 C ATOM 116 C GLU A 8 -10.037 1.471 3.908 1.00 0.00 C ATOM 117 O GLU A 8 -10.103 2.671 4.082 1.00 0.00 O ATOM 118 CB GLU A 8 -11.739 0.011 2.800 1.00 0.00 C ATOM 119 CG GLU A 8 -12.261 -0.492 1.449 1.00 0.00 C ATOM 120 CD GLU A 8 -13.175 0.566 0.823 1.00 0.00 C ATOM 121 OE1 GLU A 8 -14.230 0.815 1.382 1.00 0.00 O ATOM 122 OE2 GLU A 8 -12.802 1.107 -0.205 1.00 0.00 O ATOM 0 H GLU A 8 -9.650 -1.015 1.861 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.654 1.597 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.538 -0.833 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.497 0.624 3.288 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.426 -0.706 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.808 -1.425 1.584 1.00 0.00 H new ATOM 129 N LYS A 9 -9.596 0.670 4.834 1.00 0.00 N ATOM 130 CA LYS A 9 -9.154 1.209 6.148 1.00 0.00 C ATOM 131 C LYS A 9 -8.087 2.282 5.926 1.00 0.00 C ATOM 132 O LYS A 9 -8.045 3.281 6.613 1.00 0.00 O ATOM 133 CB LYS A 9 -8.563 0.073 6.988 1.00 0.00 C ATOM 134 CG LYS A 9 -9.652 -0.542 7.874 1.00 0.00 C ATOM 135 CD LYS A 9 -10.882 -0.883 7.023 1.00 0.00 C ATOM 136 CE LYS A 9 -11.610 -2.086 7.627 1.00 0.00 C ATOM 137 NZ LYS A 9 -11.591 -1.982 9.114 1.00 0.00 N ATOM 0 H LYS A 9 -9.522 -0.343 4.737 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.007 1.645 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.139 -0.690 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.750 0.452 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.274 -1.441 8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.927 0.156 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.553 -0.025 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.578 -1.106 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.638 -2.121 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.130 -3.012 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.414 -2.481 9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.718 -2.412 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.628 -0.981 9.392 1.00 0.00 H new ATOM 151 N PHE A 10 -7.218 2.081 4.971 1.00 0.00 N ATOM 152 CA PHE A 10 -6.155 3.086 4.711 1.00 0.00 C ATOM 153 C PHE A 10 -6.637 4.113 3.709 1.00 0.00 C ATOM 154 O PHE A 10 -6.100 5.197 3.644 1.00 0.00 O ATOM 155 CB PHE A 10 -4.924 2.387 4.168 1.00 0.00 C ATOM 156 CG PHE A 10 -4.616 1.181 5.028 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.645 1.293 6.428 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.292 -0.048 4.436 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.350 0.188 7.229 1.00 0.00 C ATOM 160 CE2 PHE A 10 -3.994 -1.155 5.245 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.023 -1.036 6.639 1.00 0.00 C ATOM 0 H PHE A 10 -7.201 1.263 4.362 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.910 3.593 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.092 2.079 3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.075 3.071 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.897 2.238 6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.272 -0.142 3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.375 0.279 8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.742 -2.102 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.793 -1.890 7.259 1.00 0.00 H new ATOM 171 N ASP A 11 -7.643 3.818 2.932 1.00 0.00 N ATOM 172 CA ASP A 11 -8.113 4.845 1.972 1.00 0.00 C ATOM 173 C ASP A 11 -8.404 6.103 2.767 1.00 0.00 C ATOM 174 O ASP A 11 -9.525 6.424 3.106 1.00 0.00 O ATOM 175 CB ASP A 11 -9.365 4.355 1.243 1.00 0.00 C ATOM 176 CG ASP A 11 -9.523 5.117 -0.075 1.00 0.00 C ATOM 177 OD1 ASP A 11 -9.024 6.227 -0.159 1.00 0.00 O ATOM 178 OD2 ASP A 11 -10.141 4.577 -0.977 1.00 0.00 O ATOM 0 H ASP A 11 -8.147 2.931 2.921 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.356 5.045 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.290 3.285 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.245 4.505 1.869 1.00 0.00 H new ATOM 183 N LYS A 12 -7.361 6.801 3.062 1.00 0.00 N ATOM 184 CA LYS A 12 -7.443 8.053 3.840 1.00 0.00 C ATOM 185 C LYS A 12 -7.827 9.195 2.903 1.00 0.00 C ATOM 186 O LYS A 12 -8.153 10.287 3.324 1.00 0.00 O ATOM 187 CB LYS A 12 -6.061 8.269 4.448 1.00 0.00 C ATOM 188 CG LYS A 12 -5.494 9.637 4.079 1.00 0.00 C ATOM 189 CD LYS A 12 -4.108 9.779 4.707 1.00 0.00 C ATOM 190 CE LYS A 12 -3.219 10.656 3.821 1.00 0.00 C ATOM 191 NZ LYS A 12 -2.165 11.299 4.654 1.00 0.00 N ATOM 0 H LYS A 12 -6.414 6.545 2.784 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.196 8.009 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.122 8.180 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.384 7.488 4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.430 9.740 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.153 10.428 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.193 10.220 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.654 8.796 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.760 10.053 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.821 11.418 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.562 11.894 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.612 11.887 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.585 10.565 5.107 1.00 0.00 H new ATOM 205 N ASN A 13 -7.817 8.924 1.632 1.00 0.00 N ATOM 206 CA ASN A 13 -8.201 9.936 0.629 1.00 0.00 C ATOM 207 C ASN A 13 -9.439 9.428 -0.131 1.00 0.00 C ATOM 208 O ASN A 13 -9.773 9.920 -1.190 1.00 0.00 O ATOM 209 CB ASN A 13 -7.040 10.127 -0.344 1.00 0.00 C ATOM 210 CG ASN A 13 -7.447 11.165 -1.368 1.00 0.00 C ATOM 211 OD1 ASN A 13 -6.764 11.383 -2.349 1.00 0.00 O ATOM 212 ND2 ASN A 13 -8.550 11.817 -1.172 1.00 0.00 N ATOM 0 H ASN A 13 -7.551 8.020 1.242 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.432 10.886 1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.146 10.450 0.190 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.796 9.185 -0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.853 12.521 -1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.115 11.626 -0.345 1.00 0.00 H new ATOM 219 N LYS A 14 -10.114 8.436 0.411 1.00 0.00 N ATOM 220 CA LYS A 14 -11.326 7.876 -0.272 1.00 0.00 C ATOM 221 C LYS A 14 -11.167 8.121 -1.768 1.00 0.00 C ATOM 222 O LYS A 14 -12.011 8.695 -2.428 1.00 0.00 O ATOM 223 CB LYS A 14 -12.584 8.580 0.242 1.00 0.00 C ATOM 224 CG LYS A 14 -12.563 8.640 1.783 1.00 0.00 C ATOM 225 CD LYS A 14 -12.527 10.099 2.256 1.00 0.00 C ATOM 226 CE LYS A 14 -13.928 10.712 2.145 1.00 0.00 C ATOM 227 NZ LYS A 14 -14.644 10.116 0.983 1.00 0.00 N ATOM 0 H LYS A 14 -9.876 7.991 1.298 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.423 6.810 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.640 9.588 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.473 8.048 -0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.445 8.141 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.693 8.105 2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.178 10.149 3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.821 10.670 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.489 10.531 3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.854 11.793 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.560 10.592 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.071 10.236 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.802 9.103 1.155 1.00 0.00 H new ATOM 241 N ASP A 15 -10.037 7.728 -2.271 1.00 0.00 N ATOM 242 CA ASP A 15 -9.722 7.960 -3.695 1.00 0.00 C ATOM 243 C ASP A 15 -9.745 6.658 -4.467 1.00 0.00 C ATOM 244 O ASP A 15 -9.997 6.657 -5.655 1.00 0.00 O ATOM 245 CB ASP A 15 -8.329 8.586 -3.803 1.00 0.00 C ATOM 246 CG ASP A 15 -8.157 9.223 -5.184 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.083 9.134 -5.976 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.104 9.787 -5.429 1.00 0.00 O ATOM 0 H ASP A 15 -9.308 7.248 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.472 8.629 -4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.196 9.338 -3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.564 7.825 -3.645 1.00 0.00 H new ATOM 253 N GLY A 16 -9.430 5.547 -3.855 1.00 0.00 N ATOM 254 CA GLY A 16 -9.388 4.292 -4.640 1.00 0.00 C ATOM 255 C GLY A 16 -7.936 4.096 -4.993 1.00 0.00 C ATOM 256 O GLY A 16 -7.569 3.260 -5.794 1.00 0.00 O ATOM 0 H GLY A 16 -9.205 5.460 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.769 3.452 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.005 4.367 -5.536 1.00 0.00 H new ATOM 260 N LYS A 17 -7.106 4.868 -4.338 1.00 0.00 N ATOM 261 CA LYS A 17 -5.652 4.775 -4.535 1.00 0.00 C ATOM 262 C LYS A 17 -4.929 5.234 -3.283 1.00 0.00 C ATOM 263 O LYS A 17 -5.357 6.122 -2.574 1.00 0.00 O ATOM 264 CB LYS A 17 -5.184 5.650 -5.672 1.00 0.00 C ATOM 265 CG LYS A 17 -5.889 5.278 -6.984 1.00 0.00 C ATOM 266 CD LYS A 17 -7.098 6.195 -7.196 1.00 0.00 C ATOM 267 CE LYS A 17 -6.619 7.544 -7.738 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.492 7.468 -9.220 1.00 0.00 N ATOM 0 H LYS A 17 -7.396 5.573 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.429 3.732 -4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.380 6.696 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.106 5.547 -5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.197 5.373 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.210 4.237 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.798 5.737 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.632 6.336 -6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.323 8.329 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.659 7.806 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.167 8.385 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.804 6.730 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.417 7.236 -9.636 1.00 0.00 H new ATOM 282 N LEU A 18 -3.814 4.633 -3.045 1.00 0.00 N ATOM 283 CA LEU A 18 -2.981 4.994 -1.884 1.00 0.00 C ATOM 284 C LEU A 18 -1.649 5.500 -2.341 1.00 0.00 C ATOM 285 O LEU A 18 -1.175 5.169 -3.390 1.00 0.00 O ATOM 286 CB LEU A 18 -2.712 3.800 -1.043 1.00 0.00 C ATOM 287 CG LEU A 18 -3.541 3.864 0.209 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.004 3.703 -0.098 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.073 2.753 1.107 1.00 0.00 C ATOM 0 H LEU A 18 -3.433 3.884 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.522 5.754 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.945 2.892 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.653 3.754 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.421 4.835 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.578 3.754 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.325 4.500 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.171 2.738 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.651 2.764 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.211 1.796 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.017 2.893 1.338 1.00 0.00 H new ATOM 301 N SER A 19 -1.022 6.248 -1.511 1.00 0.00 N ATOM 302 CA SER A 19 0.321 6.753 -1.824 1.00 0.00 C ATOM 303 C SER A 19 1.283 5.931 -1.006 1.00 0.00 C ATOM 304 O SER A 19 0.923 5.404 0.030 1.00 0.00 O ATOM 305 CB SER A 19 0.430 8.205 -1.397 1.00 0.00 C ATOM 306 OG SER A 19 -0.816 8.856 -1.608 1.00 0.00 O ATOM 0 H SER A 19 -1.390 6.540 -0.606 1.00 0.00 H new ATOM 0 HA SER A 19 0.531 6.684 -2.891 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.711 8.266 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.214 8.705 -1.966 1.00 0.00 H new ATOM 0 HG SER A 19 -1.235 9.049 -0.743 1.00 0.00 H new ATOM 312 N LEU A 20 2.498 5.812 -1.420 1.00 0.00 N ATOM 313 CA LEU A 20 3.433 5.028 -0.610 1.00 0.00 C ATOM 314 C LEU A 20 3.332 5.574 0.791 1.00 0.00 C ATOM 315 O LEU A 20 3.548 4.901 1.772 1.00 0.00 O ATOM 316 CB LEU A 20 4.837 5.229 -1.161 1.00 0.00 C ATOM 317 CG LEU A 20 5.829 4.388 -0.374 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.097 5.018 0.967 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.266 2.984 -0.166 1.00 0.00 C ATOM 0 H LEU A 20 2.878 6.219 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 20 3.208 3.962 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.867 4.950 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.113 6.282 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 20 6.761 4.330 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.809 4.406 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.511 6.016 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.165 5.089 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.981 2.385 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.328 3.046 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.086 2.517 -1.134 1.00 0.00 H new ATOM 331 N ASP A 21 2.931 6.791 0.857 1.00 0.00 N ATOM 332 CA ASP A 21 2.732 7.451 2.164 1.00 0.00 C ATOM 333 C ASP A 21 1.611 6.734 2.929 1.00 0.00 C ATOM 334 O ASP A 21 1.761 6.431 4.096 1.00 0.00 O ATOM 335 CB ASP A 21 2.364 8.921 1.951 1.00 0.00 C ATOM 336 CG ASP A 21 3.175 9.487 0.785 1.00 0.00 C ATOM 337 OD1 ASP A 21 4.273 9.004 0.563 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.684 10.393 0.131 1.00 0.00 O ATOM 0 H ASP A 21 2.726 7.375 0.046 1.00 0.00 H new ATOM 0 HA ASP A 21 3.654 7.399 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.298 9.014 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.564 9.492 2.858 1.00 0.00 H new ATOM 343 N GLU A 22 0.480 6.446 2.308 1.00 0.00 N ATOM 344 CA GLU A 22 -0.598 5.747 3.054 1.00 0.00 C ATOM 345 C GLU A 22 -0.150 4.316 3.315 1.00 0.00 C ATOM 346 O GLU A 22 -0.381 3.753 4.365 1.00 0.00 O ATOM 347 CB GLU A 22 -1.873 5.739 2.224 1.00 0.00 C ATOM 348 CG GLU A 22 -2.513 7.127 2.246 1.00 0.00 C ATOM 349 CD GLU A 22 -1.485 8.176 1.819 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.778 8.668 2.681 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.426 8.471 0.637 1.00 0.00 O ATOM 0 H GLU A 22 0.271 6.665 1.334 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.794 6.258 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.648 5.448 1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.571 5.000 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.372 7.152 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.882 7.352 3.247 1.00 0.00 H new ATOM 358 N PHE A 23 0.521 3.743 2.361 1.00 0.00 N ATOM 359 CA PHE A 23 1.034 2.374 2.505 1.00 0.00 C ATOM 360 C PHE A 23 2.231 2.400 3.475 1.00 0.00 C ATOM 361 O PHE A 23 2.577 1.397 4.063 1.00 0.00 O ATOM 362 CB PHE A 23 1.454 1.852 1.146 1.00 0.00 C ATOM 363 CG PHE A 23 1.836 0.397 1.246 1.00 0.00 C ATOM 364 CD1 PHE A 23 3.078 0.040 1.777 1.00 0.00 C ATOM 365 CD2 PHE A 23 0.952 -0.591 0.804 1.00 0.00 C ATOM 366 CE1 PHE A 23 3.439 -1.310 1.866 1.00 0.00 C ATOM 367 CE2 PHE A 23 1.310 -1.941 0.892 1.00 0.00 C ATOM 368 CZ PHE A 23 2.554 -2.301 1.424 1.00 0.00 C ATOM 0 H PHE A 23 0.736 4.185 1.467 1.00 0.00 H new ATOM 0 HA PHE A 23 0.264 1.714 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.639 1.974 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.296 2.432 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.759 0.805 2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.008 -0.313 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.399 -1.587 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.627 -2.705 0.550 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.831 -3.343 1.493 1.00 0.00 H new ATOM 378 N ARG A 24 2.850 3.553 3.671 1.00 0.00 N ATOM 379 CA ARG A 24 3.996 3.656 4.637 1.00 0.00 C ATOM 380 C ARG A 24 3.419 3.718 6.048 1.00 0.00 C ATOM 381 O ARG A 24 3.963 3.191 6.989 1.00 0.00 O ATOM 382 CB ARG A 24 4.771 4.955 4.376 1.00 0.00 C ATOM 383 CG ARG A 24 6.263 4.673 4.181 1.00 0.00 C ATOM 384 CD ARG A 24 6.943 5.954 3.690 1.00 0.00 C ATOM 385 NE ARG A 24 8.219 5.625 3.004 1.00 0.00 N ATOM 386 CZ ARG A 24 8.825 6.526 2.280 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.312 7.720 2.160 1.00 0.00 N ATOM 388 NH2 ARG A 24 9.945 6.235 1.677 1.00 0.00 N ATOM 0 H ARG A 24 2.607 4.425 3.201 1.00 0.00 H new ATOM 0 HA ARG A 24 4.661 2.800 4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.372 5.449 3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.633 5.640 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.711 4.342 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.405 3.869 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.281 6.487 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.135 6.619 4.532 1.00 0.00 H new ATOM 0 HE ARG A 24 8.622 4.693 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.437 7.949 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.786 8.424 1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.348 5.303 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.418 6.940 1.111 1.00 0.00 H new ATOM 402 N GLU A 25 2.275 4.323 6.165 1.00 0.00 N ATOM 403 CA GLU A 25 1.597 4.375 7.489 1.00 0.00 C ATOM 404 C GLU A 25 1.077 2.966 7.705 1.00 0.00 C ATOM 405 O GLU A 25 1.099 2.410 8.780 1.00 0.00 O ATOM 406 CB GLU A 25 0.435 5.371 7.451 1.00 0.00 C ATOM 407 CG GLU A 25 0.984 6.799 7.482 1.00 0.00 C ATOM 408 CD GLU A 25 -0.173 7.790 7.621 1.00 0.00 C ATOM 409 OE1 GLU A 25 -1.299 7.391 7.378 1.00 0.00 O ATOM 410 OE2 GLU A 25 0.088 8.930 7.968 1.00 0.00 O ATOM 0 H GLU A 25 1.778 4.784 5.403 1.00 0.00 H new ATOM 0 HA GLU A 25 2.265 4.699 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.159 5.218 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.227 5.206 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.678 6.915 8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.544 7.004 6.570 1.00 0.00 H new ATOM 417 N VAL A 26 0.650 2.400 6.623 1.00 0.00 N ATOM 418 CA VAL A 26 0.132 1.010 6.572 1.00 0.00 C ATOM 419 C VAL A 26 1.248 0.039 6.916 1.00 0.00 C ATOM 420 O VAL A 26 1.075 -0.922 7.640 1.00 0.00 O ATOM 421 CB VAL A 26 -0.242 0.798 5.105 1.00 0.00 C ATOM 422 CG1 VAL A 26 0.090 -0.606 4.601 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.701 1.065 4.874 1.00 0.00 C ATOM 0 H VAL A 26 0.638 2.871 5.718 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.697 0.853 7.262 1.00 0.00 H new ATOM 0 HB VAL A 26 0.361 1.510 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.199 -0.694 3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.161 -0.784 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.455 -1.343 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.938 0.906 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.296 0.388 5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.930 2.095 5.146 1.00 0.00 H new ATOM 433 N ALA A 27 2.383 0.275 6.341 1.00 0.00 N ATOM 434 CA ALA A 27 3.536 -0.624 6.541 1.00 0.00 C ATOM 435 C ALA A 27 4.186 -0.354 7.896 1.00 0.00 C ATOM 436 O ALA A 27 4.464 -1.253 8.658 1.00 0.00 O ATOM 437 CB ALA A 27 4.548 -0.378 5.418 1.00 0.00 C ATOM 0 H ALA A 27 2.563 1.070 5.728 1.00 0.00 H new ATOM 0 HA ALA A 27 3.202 -1.661 6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.407 -1.036 5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.080 -0.583 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.878 0.660 5.447 1.00 0.00 H new ATOM 443 N LEU A 28 4.430 0.884 8.193 1.00 0.00 N ATOM 444 CA LEU A 28 5.066 1.235 9.492 1.00 0.00 C ATOM 445 C LEU A 28 4.107 0.905 10.637 1.00 0.00 C ATOM 446 O LEU A 28 4.524 0.574 11.729 1.00 0.00 O ATOM 447 CB LEU A 28 5.393 2.733 9.519 1.00 0.00 C ATOM 448 CG LEU A 28 6.705 3.024 8.762 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.860 2.095 7.549 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.689 4.474 8.276 1.00 0.00 C ATOM 0 H LEU A 28 4.216 1.678 7.589 1.00 0.00 H new ATOM 0 HA LEU A 28 5.985 0.661 9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.576 3.296 9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.481 3.071 10.551 1.00 0.00 H new ATOM 0 HG LEU A 28 7.541 2.854 9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.793 2.322 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.874 1.058 7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.023 2.245 6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.613 4.688 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.840 4.625 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.603 5.144 9.132 1.00 0.00 H new ATOM 462 N ALA A 29 2.827 1.005 10.405 1.00 0.00 N ATOM 463 CA ALA A 29 1.843 0.714 11.486 1.00 0.00 C ATOM 464 C ALA A 29 1.672 -0.797 11.710 1.00 0.00 C ATOM 465 O ALA A 29 1.882 -1.297 12.797 1.00 0.00 O ATOM 466 CB ALA A 29 0.491 1.305 11.085 1.00 0.00 C ATOM 0 H ALA A 29 2.419 1.277 9.511 1.00 0.00 H new ATOM 0 HA ALA A 29 2.212 1.155 12.412 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.241 1.101 11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.590 2.382 10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.160 0.854 10.150 1.00 0.00 H new ATOM 472 N PHE A 30 1.252 -1.518 10.703 1.00 0.00 N ATOM 473 CA PHE A 30 1.018 -2.986 10.876 1.00 0.00 C ATOM 474 C PHE A 30 2.304 -3.782 10.630 1.00 0.00 C ATOM 475 O PHE A 30 2.643 -4.669 11.387 1.00 0.00 O ATOM 476 CB PHE A 30 -0.067 -3.441 9.886 1.00 0.00 C ATOM 477 CG PHE A 30 -1.285 -3.919 10.643 1.00 0.00 C ATOM 478 CD1 PHE A 30 -1.325 -5.222 11.152 1.00 0.00 C ATOM 479 CD2 PHE A 30 -2.372 -3.058 10.833 1.00 0.00 C ATOM 480 CE1 PHE A 30 -2.454 -5.664 11.852 1.00 0.00 C ATOM 481 CE2 PHE A 30 -3.501 -3.501 11.533 1.00 0.00 C ATOM 482 CZ PHE A 30 -3.541 -4.805 12.043 1.00 0.00 C ATOM 0 H PHE A 30 1.061 -1.156 9.769 1.00 0.00 H new ATOM 0 HA PHE A 30 0.695 -3.170 11.901 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.338 -2.617 9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.317 -4.242 9.254 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.486 -5.886 11.005 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.340 -2.053 10.440 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.486 -6.669 12.245 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.341 -2.838 11.680 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.411 -5.147 12.584 1.00 0.00 H new ATOM 492 N SER A 31 3.016 -3.486 9.577 1.00 0.00 N ATOM 493 CA SER A 31 4.272 -4.242 9.285 1.00 0.00 C ATOM 494 C SER A 31 5.482 -3.328 9.494 1.00 0.00 C ATOM 495 O SER A 31 6.127 -2.926 8.547 1.00 0.00 O ATOM 496 CB SER A 31 4.245 -4.714 7.832 1.00 0.00 C ATOM 497 OG SER A 31 3.338 -5.801 7.709 1.00 0.00 O ATOM 0 H SER A 31 2.784 -2.754 8.905 1.00 0.00 H new ATOM 0 HA SER A 31 4.345 -5.100 9.954 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.942 -3.897 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.243 -5.021 7.518 1.00 0.00 H new ATOM 0 HG SER A 31 3.317 -6.105 6.778 1.00 0.00 H new ATOM 503 N PRO A 32 5.788 -2.992 10.722 1.00 0.00 N ATOM 504 CA PRO A 32 6.939 -2.100 11.035 1.00 0.00 C ATOM 505 C PRO A 32 8.273 -2.715 10.616 1.00 0.00 C ATOM 506 O PRO A 32 9.259 -2.021 10.460 1.00 0.00 O ATOM 507 CB PRO A 32 6.876 -1.919 12.559 1.00 0.00 C ATOM 508 CG PRO A 32 6.059 -3.063 13.061 1.00 0.00 C ATOM 509 CD PRO A 32 5.084 -3.420 11.941 1.00 0.00 C ATOM 0 HA PRO A 32 6.875 -1.157 10.493 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.874 -1.927 12.997 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.420 -0.965 12.823 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.693 -3.914 13.310 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.523 -2.789 13.970 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.866 -4.488 11.924 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.132 -2.902 12.057 1.00 0.00 H new ATOM 517 N TYR A 33 8.327 -4.006 10.433 1.00 0.00 N ATOM 518 CA TYR A 33 9.609 -4.639 10.027 1.00 0.00 C ATOM 519 C TYR A 33 9.855 -4.397 8.538 1.00 0.00 C ATOM 520 O TYR A 33 10.924 -4.668 8.030 1.00 0.00 O ATOM 521 CB TYR A 33 9.539 -6.145 10.294 1.00 0.00 C ATOM 522 CG TYR A 33 9.085 -6.384 11.715 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.963 -6.145 12.779 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.787 -6.847 11.968 1.00 0.00 C ATOM 525 CE1 TYR A 33 9.542 -6.367 14.096 1.00 0.00 C ATOM 526 CE2 TYR A 33 7.368 -7.069 13.285 1.00 0.00 C ATOM 527 CZ TYR A 33 8.245 -6.829 14.349 1.00 0.00 C ATOM 528 OH TYR A 33 7.833 -7.047 15.648 1.00 0.00 O ATOM 0 H TYR A 33 7.541 -4.646 10.547 1.00 0.00 H new ATOM 0 HA TYR A 33 10.425 -4.203 10.602 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.848 -6.617 9.596 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.516 -6.600 10.132 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.964 -5.790 12.584 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.110 -7.033 11.147 1.00 0.00 H new ATOM 0 HE1 TYR A 33 10.219 -6.182 14.917 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.367 -7.426 13.480 1.00 0.00 H new ATOM 0 HH TYR A 33 6.906 -7.365 15.648 1.00 0.00 H new ATOM 538 N PHE A 34 8.886 -3.881 7.825 1.00 0.00 N ATOM 539 CA PHE A 34 9.113 -3.630 6.374 1.00 0.00 C ATOM 540 C PHE A 34 10.163 -2.562 6.236 1.00 0.00 C ATOM 541 O PHE A 34 10.064 -1.490 6.801 1.00 0.00 O ATOM 542 CB PHE A 34 7.827 -3.135 5.673 1.00 0.00 C ATOM 543 CG PHE A 34 7.357 -4.130 4.633 1.00 0.00 C ATOM 544 CD1 PHE A 34 8.251 -4.629 3.676 1.00 0.00 C ATOM 545 CD2 PHE A 34 6.020 -4.546 4.624 1.00 0.00 C ATOM 546 CE1 PHE A 34 7.806 -5.545 2.713 1.00 0.00 C ATOM 547 CE2 PHE A 34 5.578 -5.460 3.663 1.00 0.00 C ATOM 548 CZ PHE A 34 6.470 -5.960 2.708 1.00 0.00 C ATOM 0 H PHE A 34 7.964 -3.627 8.179 1.00 0.00 H new ATOM 0 HA PHE A 34 9.424 -4.565 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.042 -2.980 6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.015 -2.171 5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.282 -4.308 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.330 -4.161 5.360 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.494 -5.930 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.547 -5.781 3.658 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.127 -6.667 1.967 1.00 0.00 H new ATOM 558 N THR A 35 11.172 -2.840 5.485 1.00 0.00 N ATOM 559 CA THR A 35 12.217 -1.830 5.315 1.00 0.00 C ATOM 560 C THR A 35 11.725 -0.792 4.336 1.00 0.00 C ATOM 561 O THR A 35 11.059 -1.088 3.366 1.00 0.00 O ATOM 562 CB THR A 35 13.491 -2.483 4.804 1.00 0.00 C ATOM 563 OG1 THR A 35 13.264 -3.869 4.587 1.00 0.00 O ATOM 564 CG2 THR A 35 14.557 -2.294 5.860 1.00 0.00 C ATOM 0 H THR A 35 11.316 -3.718 4.986 1.00 0.00 H new ATOM 0 HA THR A 35 12.439 -1.355 6.270 1.00 0.00 H new ATOM 0 HB THR A 35 13.804 -2.033 3.862 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.620 -4.126 3.711 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.487 -2.752 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.717 -1.229 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.236 -2.764 6.789 1.00 0.00 H new ATOM 572 N GLN A 36 12.040 0.425 4.599 1.00 0.00 N ATOM 573 CA GLN A 36 11.589 1.511 3.718 1.00 0.00 C ATOM 574 C GLN A 36 11.995 1.216 2.281 1.00 0.00 C ATOM 575 O GLN A 36 11.349 1.635 1.351 1.00 0.00 O ATOM 576 CB GLN A 36 12.248 2.793 4.186 1.00 0.00 C ATOM 577 CG GLN A 36 11.528 3.990 3.563 1.00 0.00 C ATOM 578 CD GLN A 36 10.030 3.901 3.838 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.539 4.459 4.799 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.274 3.215 3.024 1.00 0.00 N ATOM 0 H GLN A 36 12.600 0.720 5.399 1.00 0.00 H new ATOM 0 HA GLN A 36 10.504 1.605 3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.211 2.858 5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.300 2.799 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.927 4.918 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.708 4.013 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.687 2.747 2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.271 3.147 3.195 1.00 0.00 H new ATOM 589 N GLU A 37 13.056 0.491 2.113 1.00 0.00 N ATOM 590 CA GLU A 37 13.521 0.152 0.740 1.00 0.00 C ATOM 591 C GLU A 37 12.609 -0.924 0.150 1.00 0.00 C ATOM 592 O GLU A 37 12.313 -0.919 -1.024 1.00 0.00 O ATOM 593 CB GLU A 37 14.961 -0.363 0.793 1.00 0.00 C ATOM 594 CG GLU A 37 15.491 -0.552 -0.630 1.00 0.00 C ATOM 595 CD GLU A 37 16.921 -1.090 -0.576 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.707 -0.550 0.185 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.206 -2.032 -1.297 1.00 0.00 O ATOM 0 H GLU A 37 13.628 0.114 2.869 1.00 0.00 H new ATOM 0 HA GLU A 37 13.486 1.043 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.590 0.342 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.000 -1.308 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.852 -1.244 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.468 0.397 -1.167 1.00 0.00 H new ATOM 604 N ASP A 38 12.150 -1.845 0.953 1.00 0.00 N ATOM 605 CA ASP A 38 11.250 -2.906 0.422 1.00 0.00 C ATOM 606 C ASP A 38 9.868 -2.307 0.143 1.00 0.00 C ATOM 607 O ASP A 38 9.207 -2.658 -0.814 1.00 0.00 O ATOM 608 CB ASP A 38 11.129 -4.032 1.452 1.00 0.00 C ATOM 609 CG ASP A 38 12.342 -4.957 1.348 1.00 0.00 C ATOM 610 OD1 ASP A 38 12.351 -5.793 0.459 1.00 0.00 O ATOM 611 OD2 ASP A 38 13.241 -4.816 2.160 1.00 0.00 O ATOM 0 H ASP A 38 12.359 -1.908 1.949 1.00 0.00 H new ATOM 0 HA ASP A 38 11.662 -3.308 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.063 -3.614 2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.213 -4.597 1.282 1.00 0.00 H new ATOM 616 N ILE A 39 9.431 -1.400 0.973 1.00 0.00 N ATOM 617 CA ILE A 39 8.095 -0.765 0.766 1.00 0.00 C ATOM 618 C ILE A 39 8.152 0.132 -0.467 1.00 0.00 C ATOM 619 O ILE A 39 7.297 0.098 -1.319 1.00 0.00 O ATOM 620 CB ILE A 39 7.756 0.101 1.984 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.974 -0.700 3.268 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.291 0.545 1.923 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.193 0.254 4.458 1.00 0.00 C ATOM 0 H ILE A 39 9.943 -1.069 1.790 1.00 0.00 H new ATOM 0 HA ILE A 39 7.339 -1.539 0.633 1.00 0.00 H new ATOM 0 HB ILE A 39 8.405 0.977 1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.111 -1.339 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.837 -1.356 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.061 1.160 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.124 1.124 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.645 -0.333 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.347 -0.328 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.070 0.874 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.317 0.891 4.579 1.00 0.00 H new ATOM 635 N VAL A 40 9.157 0.950 -0.535 1.00 0.00 N ATOM 636 CA VAL A 40 9.311 1.879 -1.679 1.00 0.00 C ATOM 637 C VAL A 40 9.784 1.127 -2.909 1.00 0.00 C ATOM 638 O VAL A 40 9.319 1.376 -3.996 1.00 0.00 O ATOM 639 CB VAL A 40 10.313 2.931 -1.291 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.801 3.618 -0.033 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.660 2.273 -1.042 1.00 0.00 C ATOM 0 H VAL A 40 9.893 1.015 0.168 1.00 0.00 H new ATOM 0 HA VAL A 40 8.354 2.342 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 40 10.439 3.668 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.508 4.388 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.832 4.075 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.695 2.883 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.389 3.032 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.566 1.544 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.992 1.770 -1.950 1.00 0.00 H new ATOM 651 N LYS A 41 10.672 0.183 -2.774 1.00 0.00 N ATOM 652 CA LYS A 41 11.079 -0.560 -3.989 1.00 0.00 C ATOM 653 C LYS A 41 9.811 -1.171 -4.544 1.00 0.00 C ATOM 654 O LYS A 41 9.437 -0.958 -5.678 1.00 0.00 O ATOM 655 CB LYS A 41 12.054 -1.686 -3.631 1.00 0.00 C ATOM 656 CG LYS A 41 12.560 -2.351 -4.913 1.00 0.00 C ATOM 657 CD LYS A 41 13.794 -3.199 -4.599 1.00 0.00 C ATOM 658 CE LYS A 41 13.452 -4.227 -3.518 1.00 0.00 C ATOM 659 NZ LYS A 41 14.493 -5.294 -3.501 1.00 0.00 N ATOM 0 H LYS A 41 11.120 -0.098 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 41 11.573 0.101 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.893 -1.287 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.559 -2.422 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.777 -2.975 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.807 -1.592 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.138 -3.706 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 41 14.610 -2.560 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.397 -3.742 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.472 -4.663 -3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.262 -5.993 -2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.524 -5.763 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.421 -4.871 -3.296 1.00 0.00 H new ATOM 673 N PHE A 42 9.151 -1.938 -3.726 1.00 0.00 N ATOM 674 CA PHE A 42 7.901 -2.605 -4.142 1.00 0.00 C ATOM 675 C PHE A 42 6.814 -1.583 -4.495 1.00 0.00 C ATOM 676 O PHE A 42 6.215 -1.662 -5.546 1.00 0.00 O ATOM 677 CB PHE A 42 7.427 -3.482 -2.991 1.00 0.00 C ATOM 678 CG PHE A 42 6.146 -4.165 -3.383 1.00 0.00 C ATOM 679 CD1 PHE A 42 6.079 -4.898 -4.576 1.00 0.00 C ATOM 680 CD2 PHE A 42 5.027 -4.071 -2.552 1.00 0.00 C ATOM 681 CE1 PHE A 42 4.892 -5.539 -4.934 1.00 0.00 C ATOM 682 CE2 PHE A 42 3.840 -4.712 -2.911 1.00 0.00 C ATOM 683 CZ PHE A 42 3.775 -5.447 -4.103 1.00 0.00 C ATOM 0 H PHE A 42 9.436 -2.131 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 42 8.093 -3.203 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.188 -4.223 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.272 -2.877 -2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.945 -4.967 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.080 -3.504 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.838 -6.105 -5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.973 -4.642 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.857 -5.944 -4.379 1.00 0.00 H new ATOM 693 N PHE A 43 6.551 -0.619 -3.649 1.00 0.00 N ATOM 694 CA PHE A 43 5.505 0.381 -4.000 1.00 0.00 C ATOM 695 C PHE A 43 5.911 1.033 -5.312 1.00 0.00 C ATOM 696 O PHE A 43 5.159 1.099 -6.264 1.00 0.00 O ATOM 697 CB PHE A 43 5.454 1.421 -2.902 1.00 0.00 C ATOM 698 CG PHE A 43 4.573 2.579 -3.300 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.021 3.529 -4.223 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.325 2.735 -2.699 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.212 4.618 -4.544 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.527 3.829 -3.017 1.00 0.00 C ATOM 703 CZ PHE A 43 2.969 4.769 -3.940 1.00 0.00 C ATOM 0 H PHE A 43 7.007 -0.484 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 43 4.525 -0.085 -4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.076 0.969 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.461 1.781 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.991 3.419 -4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.977 2.004 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.552 5.347 -5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.562 3.948 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.347 5.616 -4.188 1.00 0.00 H new ATOM 713 N GLU A 44 7.133 1.466 -5.365 1.00 0.00 N ATOM 714 CA GLU A 44 7.642 2.066 -6.623 1.00 0.00 C ATOM 715 C GLU A 44 7.420 1.028 -7.727 1.00 0.00 C ATOM 716 O GLU A 44 7.126 1.348 -8.862 1.00 0.00 O ATOM 717 CB GLU A 44 9.133 2.387 -6.489 1.00 0.00 C ATOM 718 CG GLU A 44 9.333 3.511 -5.465 1.00 0.00 C ATOM 719 CD GLU A 44 9.209 4.869 -6.160 1.00 0.00 C ATOM 720 OE1 GLU A 44 8.101 5.229 -6.522 1.00 0.00 O ATOM 721 OE2 GLU A 44 10.226 5.525 -6.320 1.00 0.00 O ATOM 0 H GLU A 44 7.801 1.431 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 44 7.124 2.997 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.679 1.497 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.538 2.687 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.591 3.429 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.313 3.419 -4.997 1.00 0.00 H new ATOM 728 N GLU A 45 7.557 -0.227 -7.377 1.00 0.00 N ATOM 729 CA GLU A 45 7.359 -1.337 -8.350 1.00 0.00 C ATOM 730 C GLU A 45 5.872 -1.604 -8.596 1.00 0.00 C ATOM 731 O GLU A 45 5.466 -1.931 -9.693 1.00 0.00 O ATOM 732 CB GLU A 45 7.963 -2.612 -7.760 1.00 0.00 C ATOM 733 CG GLU A 45 8.521 -3.481 -8.880 1.00 0.00 C ATOM 734 CD GLU A 45 7.407 -3.824 -9.870 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.503 -4.549 -9.484 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.473 -3.356 -10.994 1.00 0.00 O ATOM 0 H GLU A 45 7.803 -0.532 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 45 7.834 -1.056 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.754 -2.359 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.204 -3.162 -7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.328 -2.957 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.947 -4.395 -8.466 1.00 0.00 H new ATOM 743 N ILE A 46 5.061 -1.507 -7.576 1.00 0.00 N ATOM 744 CA ILE A 46 3.613 -1.804 -7.755 1.00 0.00 C ATOM 745 C ILE A 46 2.870 -0.549 -8.209 1.00 0.00 C ATOM 746 O ILE A 46 1.992 -0.620 -9.044 1.00 0.00 O ATOM 747 CB ILE A 46 3.033 -2.356 -6.441 1.00 0.00 C ATOM 748 CG1 ILE A 46 2.094 -3.525 -6.754 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.253 -1.281 -5.702 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.895 -4.720 -7.288 1.00 0.00 C ATOM 0 H ILE A 46 5.338 -1.236 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 46 3.488 -2.561 -8.529 1.00 0.00 H new ATOM 0 HB ILE A 46 3.858 -2.689 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.550 -3.815 -5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.351 -3.217 -7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.852 -1.694 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.914 -0.446 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.432 -0.931 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.216 -5.544 -7.507 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.418 -4.429 -8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.620 -5.036 -6.538 1.00 0.00 H new ATOM 762 N ASP A 47 3.232 0.604 -7.717 1.00 0.00 N ATOM 763 CA ASP A 47 2.549 1.829 -8.201 1.00 0.00 C ATOM 764 C ASP A 47 2.919 1.949 -9.671 1.00 0.00 C ATOM 765 O ASP A 47 3.841 2.652 -10.034 1.00 0.00 O ATOM 766 CB ASP A 47 3.052 3.052 -7.431 1.00 0.00 C ATOM 767 CG ASP A 47 2.513 4.325 -8.086 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.380 4.301 -8.539 1.00 0.00 O ATOM 769 OD2 ASP A 47 3.243 5.303 -8.126 1.00 0.00 O ATOM 0 H ASP A 47 3.957 0.747 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 47 1.470 1.774 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.727 3.000 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.142 3.067 -7.424 1.00 0.00 H new ATOM 774 N VAL A 48 2.249 1.220 -10.518 1.00 0.00 N ATOM 775 CA VAL A 48 2.587 1.214 -11.976 1.00 0.00 C ATOM 776 C VAL A 48 2.058 2.425 -12.721 1.00 0.00 C ATOM 777 O VAL A 48 2.542 2.773 -13.780 1.00 0.00 O ATOM 778 CB VAL A 48 1.881 0.012 -12.593 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.371 0.107 -12.316 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.103 0.015 -14.106 1.00 0.00 C ATOM 0 H VAL A 48 1.468 0.617 -10.261 1.00 0.00 H new ATOM 0 HA VAL A 48 3.674 1.200 -12.058 1.00 0.00 H new ATOM 0 HB VAL A 48 2.282 -0.904 -12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.135 -0.752 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.198 0.117 -11.240 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.022 1.024 -12.755 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.599 -0.844 -14.549 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.698 0.933 -14.531 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.171 -0.042 -14.317 1.00 0.00 H new ATOM 790 N ASP A 49 1.039 3.022 -12.230 1.00 0.00 N ATOM 791 CA ASP A 49 0.445 4.156 -12.971 1.00 0.00 C ATOM 792 C ASP A 49 1.327 5.376 -12.784 1.00 0.00 C ATOM 793 O ASP A 49 1.236 6.345 -13.510 1.00 0.00 O ATOM 794 CB ASP A 49 -0.978 4.378 -12.461 1.00 0.00 C ATOM 795 CG ASP A 49 -1.147 5.807 -11.943 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.675 6.073 -10.852 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.745 6.605 -12.645 1.00 0.00 O ATOM 0 H ASP A 49 0.584 2.783 -11.349 1.00 0.00 H new ATOM 0 HA ASP A 49 0.387 3.952 -14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.691 4.189 -13.263 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.200 3.668 -11.664 1.00 0.00 H new ATOM 802 N GLY A 50 2.215 5.311 -11.844 1.00 0.00 N ATOM 803 CA GLY A 50 3.154 6.427 -11.623 1.00 0.00 C ATOM 804 C GLY A 50 2.455 7.646 -11.023 1.00 0.00 C ATOM 805 O GLY A 50 3.050 8.697 -10.892 1.00 0.00 O ATOM 0 H GLY A 50 2.330 4.520 -11.211 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.954 6.103 -10.958 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.619 6.704 -12.569 1.00 0.00 H new ATOM 809 N ASN A 51 1.221 7.527 -10.623 1.00 0.00 N ATOM 810 CA ASN A 51 0.553 8.701 -10.006 1.00 0.00 C ATOM 811 C ASN A 51 1.100 8.820 -8.595 1.00 0.00 C ATOM 812 O ASN A 51 0.720 9.683 -7.826 1.00 0.00 O ATOM 813 CB ASN A 51 -0.963 8.490 -9.958 1.00 0.00 C ATOM 814 CG ASN A 51 -1.638 9.761 -9.438 1.00 0.00 C ATOM 815 OD1 ASN A 51 -1.142 10.852 -9.643 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.753 9.667 -8.769 1.00 0.00 N ATOM 0 H ASN A 51 0.655 6.682 -10.695 1.00 0.00 H new ATOM 0 HA ASN A 51 0.744 9.604 -10.586 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.339 8.246 -10.952 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.203 7.647 -9.311 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.209 10.509 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.169 8.752 -8.597 1.00 0.00 H new ATOM 823 N GLY A 52 2.004 7.942 -8.255 1.00 0.00 N ATOM 824 CA GLY A 52 2.604 7.967 -6.903 1.00 0.00 C ATOM 825 C GLY A 52 1.631 7.341 -5.909 1.00 0.00 C ATOM 826 O GLY A 52 1.653 7.646 -4.733 1.00 0.00 O ATOM 0 H GLY A 52 2.352 7.204 -8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.547 7.420 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.830 8.993 -6.612 1.00 0.00 H new ATOM 830 N GLU A 53 0.747 6.493 -6.372 1.00 0.00 N ATOM 831 CA GLU A 53 -0.246 5.884 -5.440 1.00 0.00 C ATOM 832 C GLU A 53 -0.581 4.449 -5.844 1.00 0.00 C ATOM 833 O GLU A 53 -0.468 4.065 -6.990 1.00 0.00 O ATOM 834 CB GLU A 53 -1.535 6.727 -5.457 1.00 0.00 C ATOM 835 CG GLU A 53 -1.217 8.163 -5.884 1.00 0.00 C ATOM 836 CD GLU A 53 -2.499 8.998 -5.854 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.541 8.439 -5.551 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.417 10.183 -6.134 1.00 0.00 O ATOM 0 H GLU A 53 0.671 6.199 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 53 0.188 5.866 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.258 6.287 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.993 6.726 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.472 8.596 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.789 8.170 -6.886 1.00 0.00 H new ATOM 845 N LEU A 54 -1.010 3.661 -4.890 1.00 0.00 N ATOM 846 CA LEU A 54 -1.374 2.262 -5.182 1.00 0.00 C ATOM 847 C LEU A 54 -2.754 2.222 -5.807 1.00 0.00 C ATOM 848 O LEU A 54 -3.730 2.614 -5.210 1.00 0.00 O ATOM 849 CB LEU A 54 -1.464 1.494 -3.878 1.00 0.00 C ATOM 850 CG LEU A 54 -0.104 1.298 -3.221 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.066 1.373 -4.223 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.019 2.354 -2.156 1.00 0.00 C ATOM 0 H LEU A 54 -1.121 3.940 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.627 1.833 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.122 2.026 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.918 0.520 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.044 0.296 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.008 1.226 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.949 0.596 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.070 2.350 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.982 2.254 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.052 3.341 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.784 2.232 -1.429 1.00 0.00 H new ATOM 864 N ASN A 55 -2.835 1.746 -6.999 1.00 0.00 N ATOM 865 CA ASN A 55 -4.165 1.671 -7.672 1.00 0.00 C ATOM 866 C ASN A 55 -4.921 0.443 -7.171 1.00 0.00 C ATOM 867 O ASN A 55 -4.427 -0.325 -6.370 1.00 0.00 O ATOM 868 CB ASN A 55 -4.015 1.583 -9.192 1.00 0.00 C ATOM 869 CG ASN A 55 -2.571 1.259 -9.563 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.649 1.893 -9.088 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.334 0.291 -10.401 1.00 0.00 N ATOM 0 H ASN A 55 -2.047 1.402 -7.547 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.718 2.579 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.680 0.815 -9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.312 2.527 -9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.374 0.064 -10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.109 -0.240 -10.799 1.00 0.00 H new ATOM 878 N ALA A 56 -6.127 0.270 -7.636 1.00 0.00 N ATOM 879 CA ALA A 56 -6.965 -0.885 -7.190 1.00 0.00 C ATOM 880 C ALA A 56 -6.335 -2.236 -7.591 1.00 0.00 C ATOM 881 O ALA A 56 -6.056 -3.068 -6.745 1.00 0.00 O ATOM 882 CB ALA A 56 -8.359 -0.717 -7.797 1.00 0.00 C ATOM 0 H ALA A 56 -6.575 0.886 -8.314 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.030 -0.893 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.993 -1.548 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.795 0.221 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.283 -0.704 -8.884 1.00 0.00 H new ATOM 888 N ASP A 57 -6.114 -2.494 -8.850 1.00 0.00 N ATOM 889 CA ASP A 57 -5.515 -3.813 -9.225 1.00 0.00 C ATOM 890 C ASP A 57 -4.141 -3.975 -8.563 1.00 0.00 C ATOM 891 O ASP A 57 -3.801 -5.027 -8.037 1.00 0.00 O ATOM 892 CB ASP A 57 -5.358 -3.883 -10.746 1.00 0.00 C ATOM 893 CG ASP A 57 -4.951 -5.301 -11.151 1.00 0.00 C ATOM 894 OD1 ASP A 57 -3.836 -5.688 -10.842 1.00 0.00 O ATOM 895 OD2 ASP A 57 -5.760 -5.977 -11.765 1.00 0.00 O ATOM 0 H ASP A 57 -6.317 -1.864 -9.626 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.171 -4.614 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.294 -3.609 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.605 -3.168 -11.078 1.00 0.00 H new ATOM 900 N GLU A 58 -3.351 -2.940 -8.568 1.00 0.00 N ATOM 901 CA GLU A 58 -2.012 -3.031 -7.935 1.00 0.00 C ATOM 902 C GLU A 58 -2.212 -3.138 -6.429 1.00 0.00 C ATOM 903 O GLU A 58 -1.438 -3.756 -5.728 1.00 0.00 O ATOM 904 CB GLU A 58 -1.180 -1.789 -8.273 1.00 0.00 C ATOM 905 CG GLU A 58 -0.673 -1.866 -9.716 1.00 0.00 C ATOM 906 CD GLU A 58 0.260 -3.068 -9.891 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.239 -4.150 -10.155 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.461 -2.883 -9.769 1.00 0.00 O ATOM 0 H GLU A 58 -3.576 -2.036 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.477 -3.905 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.784 -0.891 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.336 -1.710 -7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.517 -1.950 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.145 -0.947 -9.972 1.00 0.00 H new ATOM 915 N PHE A 59 -3.263 -2.548 -5.936 1.00 0.00 N ATOM 916 CA PHE A 59 -3.551 -2.610 -4.480 1.00 0.00 C ATOM 917 C PHE A 59 -3.596 -4.067 -4.043 1.00 0.00 C ATOM 918 O PHE A 59 -3.063 -4.441 -3.021 1.00 0.00 O ATOM 919 CB PHE A 59 -4.948 -2.052 -4.232 1.00 0.00 C ATOM 920 CG PHE A 59 -4.904 -0.673 -3.674 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.135 -0.390 -2.550 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.651 0.325 -4.284 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.120 0.901 -2.049 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.630 1.602 -3.790 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.870 1.900 -2.679 1.00 0.00 C ATOM 0 H PHE A 59 -3.941 -2.020 -6.486 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.786 -2.051 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.508 -2.048 -5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.483 -2.706 -3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.557 -1.168 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.251 0.094 -5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.531 1.136 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.209 2.376 -4.271 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.854 2.909 -2.293 1.00 0.00 H new ATOM 935 N THR A 60 -4.244 -4.894 -4.813 1.00 0.00 N ATOM 936 CA THR A 60 -4.337 -6.324 -4.435 1.00 0.00 C ATOM 937 C THR A 60 -2.964 -6.950 -4.552 1.00 0.00 C ATOM 938 O THR A 60 -2.490 -7.594 -3.644 1.00 0.00 O ATOM 939 CB THR A 60 -5.327 -7.031 -5.352 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.873 -6.951 -6.696 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.683 -6.347 -5.223 1.00 0.00 C ATOM 0 H THR A 60 -4.711 -4.640 -5.684 1.00 0.00 H new ATOM 0 HA THR A 60 -4.689 -6.420 -3.408 1.00 0.00 H new ATOM 0 HB THR A 60 -5.413 -8.081 -5.071 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.851 -6.013 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.404 -6.842 -5.874 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.025 -6.409 -4.190 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.592 -5.300 -5.513 1.00 0.00 H new ATOM 949 N SER A 61 -2.304 -6.741 -5.646 1.00 0.00 N ATOM 950 CA SER A 61 -0.939 -7.303 -5.778 1.00 0.00 C ATOM 951 C SER A 61 -0.035 -6.589 -4.776 1.00 0.00 C ATOM 952 O SER A 61 1.001 -7.103 -4.354 1.00 0.00 O ATOM 953 CB SER A 61 -0.417 -7.051 -7.194 1.00 0.00 C ATOM 954 OG SER A 61 0.612 -7.985 -7.490 1.00 0.00 O ATOM 0 H SER A 61 -2.644 -6.211 -6.449 1.00 0.00 H new ATOM 0 HA SER A 61 -0.952 -8.376 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.229 -7.147 -7.915 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.035 -6.034 -7.277 1.00 0.00 H new ATOM 0 HG SER A 61 0.947 -7.826 -8.397 1.00 0.00 H new ATOM 960 N CYS A 62 -0.464 -5.438 -4.313 1.00 0.00 N ATOM 961 CA CYS A 62 0.344 -4.702 -3.306 1.00 0.00 C ATOM 962 C CYS A 62 0.219 -5.414 -1.975 1.00 0.00 C ATOM 963 O CYS A 62 1.146 -5.472 -1.191 1.00 0.00 O ATOM 964 CB CYS A 62 -0.167 -3.265 -3.169 1.00 0.00 C ATOM 965 SG CYS A 62 0.941 -2.335 -2.081 1.00 0.00 S ATOM 0 H CYS A 62 -1.334 -4.984 -4.591 1.00 0.00 H new ATOM 0 HA CYS A 62 1.387 -4.673 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.216 -2.790 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.179 -3.264 -2.763 1.00 0.00 H new ATOM 0 HG CYS A 62 0.355 -2.129 -0.939 1.00 0.00 H new ATOM 971 N ILE A 63 -0.926 -5.966 -1.713 1.00 0.00 N ATOM 972 CA ILE A 63 -1.118 -6.682 -0.436 1.00 0.00 C ATOM 973 C ILE A 63 -0.743 -8.139 -0.620 1.00 0.00 C ATOM 974 O ILE A 63 -0.243 -8.766 0.287 1.00 0.00 O ATOM 975 CB ILE A 63 -2.576 -6.578 0.007 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.992 -5.101 0.125 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.743 -7.272 1.359 1.00 0.00 C ATOM 978 CD1 ILE A 63 -1.823 -4.257 0.625 1.00 0.00 C ATOM 0 H ILE A 63 -1.737 -5.951 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.484 -6.233 0.329 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.212 -7.062 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.326 -4.732 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.835 -5.008 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.782 -7.200 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.464 -8.322 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.102 -6.790 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.134 -3.215 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.508 -4.616 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.991 -4.336 -0.075 1.00 0.00 H new