USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.676 K(o=0.68,f=-0.15) USER MOD Single : A 21 GLN : amide:sc= 0.807 K(o=0.81,f=-0.28) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.0178 (180deg=-0.204) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.15) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 126:sc= -0.547 USER MOD Single : A 45 ASN : amide:sc= 0.328 K(o=0.33,f=-5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -139:sc= -2.78! (180deg=-5.84!) USER MOD Single : A 48 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= 1.29 (180deg=1.04) USER MOD Single : A 62 ASN : amide:sc=-0.00013 X(o=-0.00013,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.851 -19.882 -13.240 1.00 0.00 N ATOM 2 CA GLY A 1 3.280 -18.499 -13.553 1.00 0.00 C ATOM 3 C GLY A 1 4.573 -18.134 -12.859 1.00 0.00 C ATOM 4 O GLY A 1 4.679 -18.252 -11.637 1.00 0.00 O ATOM 0 H1 GLY A 1 1.961 -20.090 -13.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.584 -20.551 -13.549 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.706 -19.977 -12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.405 -18.394 -14.631 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.498 -17.801 -13.253 1.00 0.00 H new ATOM 8 N SER A 2 5.565 -17.711 -13.631 1.00 0.00 N ATOM 9 CA SER A 2 6.834 -17.274 -13.067 1.00 0.00 C ATOM 10 C SER A 2 6.650 -15.977 -12.281 1.00 0.00 C ATOM 11 O SER A 2 6.410 -14.914 -12.858 1.00 0.00 O ATOM 12 CB SER A 2 7.868 -17.080 -14.176 1.00 0.00 C ATOM 13 OG SER A 2 8.091 -18.290 -14.883 1.00 0.00 O ATOM 0 H SER A 2 5.515 -17.661 -14.649 1.00 0.00 H new ATOM 0 HA SER A 2 7.194 -18.044 -12.385 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.525 -16.309 -14.867 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.806 -16.728 -13.746 1.00 0.00 H new ATOM 0 HG SER A 2 8.755 -18.139 -15.588 1.00 0.00 H new ATOM 19 N MET A 3 6.742 -16.072 -10.965 1.00 0.00 N ATOM 20 CA MET A 3 6.571 -14.914 -10.101 1.00 0.00 C ATOM 21 C MET A 3 7.880 -14.580 -9.405 1.00 0.00 C ATOM 22 O MET A 3 8.482 -15.433 -8.751 1.00 0.00 O ATOM 23 CB MET A 3 5.482 -15.181 -9.058 1.00 0.00 C ATOM 24 CG MET A 3 4.109 -15.444 -9.657 1.00 0.00 C ATOM 25 SD MET A 3 3.445 -14.021 -10.547 1.00 0.00 S ATOM 26 CE MET A 3 1.897 -14.691 -11.145 1.00 0.00 C ATOM 0 H MET A 3 6.935 -16.942 -10.469 1.00 0.00 H new ATOM 0 HA MET A 3 6.269 -14.067 -10.717 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.774 -16.039 -8.453 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.417 -14.325 -8.387 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.172 -16.294 -10.337 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.418 -15.723 -8.861 1.00 0.00 H new ATOM 0 HE1 MET A 3 1.367 -13.929 -11.717 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.096 -15.551 -11.784 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.284 -15.001 -10.299 1.00 0.00 H new ATOM 36 N ALA A 4 8.330 -13.348 -9.562 1.00 0.00 N ATOM 37 CA ALA A 4 9.537 -12.893 -8.896 1.00 0.00 C ATOM 38 C ALA A 4 9.195 -12.318 -7.530 1.00 0.00 C ATOM 39 O ALA A 4 8.035 -11.990 -7.256 1.00 0.00 O ATOM 40 CB ALA A 4 10.262 -11.858 -9.744 1.00 0.00 C ATOM 0 H ALA A 4 7.877 -12.644 -10.145 1.00 0.00 H new ATOM 0 HA ALA A 4 10.202 -13.746 -8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.164 -11.530 -9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.534 -12.299 -10.703 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.608 -11.002 -9.911 1.00 0.00 H new ATOM 46 N GLU A 5 10.197 -12.206 -6.676 1.00 0.00 N ATOM 47 CA GLU A 5 9.997 -11.681 -5.341 1.00 0.00 C ATOM 48 C GLU A 5 9.981 -10.156 -5.374 1.00 0.00 C ATOM 49 O GLU A 5 11.024 -9.505 -5.307 1.00 0.00 O ATOM 50 CB GLU A 5 11.080 -12.199 -4.385 1.00 0.00 C ATOM 51 CG GLU A 5 10.886 -13.649 -3.938 1.00 0.00 C ATOM 52 CD GLU A 5 10.905 -14.653 -5.081 1.00 0.00 C ATOM 53 OE1 GLU A 5 11.937 -14.756 -5.778 1.00 0.00 O ATOM 54 OE2 GLU A 5 9.887 -15.350 -5.278 1.00 0.00 O ATOM 0 H GLU A 5 11.159 -12.473 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 5 9.033 -12.028 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.051 -12.108 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.105 -11.560 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.670 -13.908 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.936 -13.732 -3.410 1.00 0.00 H new ATOM 61 N GLU A 6 8.788 -9.601 -5.532 1.00 0.00 N ATOM 62 CA GLU A 6 8.607 -8.156 -5.562 1.00 0.00 C ATOM 63 C GLU A 6 8.848 -7.560 -4.178 1.00 0.00 C ATOM 64 O GLU A 6 8.547 -8.191 -3.162 1.00 0.00 O ATOM 65 CB GLU A 6 7.193 -7.816 -6.030 1.00 0.00 C ATOM 66 CG GLU A 6 6.814 -8.454 -7.362 1.00 0.00 C ATOM 67 CD GLU A 6 7.498 -7.817 -8.558 1.00 0.00 C ATOM 68 OE1 GLU A 6 8.732 -7.935 -8.688 1.00 0.00 O ATOM 69 OE2 GLU A 6 6.791 -7.217 -9.399 1.00 0.00 O ATOM 0 H GLU A 6 7.925 -10.134 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 6 9.329 -7.731 -6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.482 -8.137 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.100 -6.733 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.066 -9.514 -7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.734 -8.387 -7.493 1.00 0.00 H new ATOM 76 N VAL A 7 9.388 -6.352 -4.138 1.00 0.00 N ATOM 77 CA VAL A 7 9.656 -5.691 -2.871 1.00 0.00 C ATOM 78 C VAL A 7 8.360 -5.207 -2.221 1.00 0.00 C ATOM 79 O VAL A 7 7.623 -4.390 -2.785 1.00 0.00 O ATOM 80 CB VAL A 7 10.646 -4.516 -3.024 1.00 0.00 C ATOM 81 CG1 VAL A 7 12.048 -5.043 -3.292 1.00 0.00 C ATOM 82 CG2 VAL A 7 10.209 -3.563 -4.134 1.00 0.00 C ATOM 0 H VAL A 7 9.648 -5.812 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 7 10.122 -6.433 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 7 10.653 -3.955 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.737 -4.205 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.366 -5.671 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.047 -5.630 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.927 -2.747 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.163 -4.103 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.225 -3.158 -3.899 1.00 0.00 H new ATOM 92 N VAL A 8 8.084 -5.730 -1.036 1.00 0.00 N ATOM 93 CA VAL A 8 6.868 -5.398 -0.314 1.00 0.00 C ATOM 94 C VAL A 8 7.112 -4.283 0.699 1.00 0.00 C ATOM 95 O VAL A 8 8.134 -4.260 1.391 1.00 0.00 O ATOM 96 CB VAL A 8 6.286 -6.648 0.391 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.233 -6.274 1.421 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.701 -7.584 -0.644 1.00 0.00 C ATOM 0 H VAL A 8 8.692 -6.391 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 8 6.140 -5.041 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 8 7.096 -7.148 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.849 -7.178 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.678 -5.629 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.415 -5.746 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.291 -8.464 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.908 -7.073 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.482 -7.890 -1.340 1.00 0.00 H new ATOM 108 N VAL A 9 6.167 -3.361 0.756 1.00 0.00 N ATOM 109 CA VAL A 9 6.194 -2.265 1.703 1.00 0.00 C ATOM 110 C VAL A 9 5.180 -2.531 2.812 1.00 0.00 C ATOM 111 O VAL A 9 4.431 -3.505 2.751 1.00 0.00 O ATOM 112 CB VAL A 9 5.863 -0.937 1.007 1.00 0.00 C ATOM 113 CG1 VAL A 9 6.975 -0.556 0.050 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.544 -1.043 0.261 1.00 0.00 C ATOM 0 H VAL A 9 5.354 -3.354 0.141 1.00 0.00 H new ATOM 0 HA VAL A 9 7.196 -2.192 2.127 1.00 0.00 H new ATOM 0 HB VAL A 9 5.771 -0.161 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.728 0.387 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.908 -0.446 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.089 -1.335 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.324 -0.093 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.613 -1.829 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.746 -1.283 0.964 1.00 0.00 H new ATOM 124 N VAL A 10 5.131 -1.672 3.806 1.00 0.00 N ATOM 125 CA VAL A 10 4.211 -1.863 4.914 1.00 0.00 C ATOM 126 C VAL A 10 3.528 -0.539 5.248 1.00 0.00 C ATOM 127 O VAL A 10 4.058 0.526 4.949 1.00 0.00 O ATOM 128 CB VAL A 10 4.953 -2.422 6.154 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.950 -1.409 6.700 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.975 -2.857 7.234 1.00 0.00 C ATOM 0 H VAL A 10 5.713 -0.837 3.873 1.00 0.00 H new ATOM 0 HA VAL A 10 3.453 -2.590 4.622 1.00 0.00 H new ATOM 0 HB VAL A 10 5.509 -3.303 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.456 -1.829 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.686 -1.172 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.423 -0.500 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.527 -3.244 8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.374 -2.003 7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.322 -3.636 6.841 1.00 0.00 H new ATOM 140 N ALA A 11 2.346 -0.607 5.833 1.00 0.00 N ATOM 141 CA ALA A 11 1.574 0.583 6.142 1.00 0.00 C ATOM 142 C ALA A 11 1.696 0.984 7.609 1.00 0.00 C ATOM 143 O ALA A 11 1.828 0.133 8.486 1.00 0.00 O ATOM 144 CB ALA A 11 0.124 0.348 5.791 1.00 0.00 C ATOM 0 H ALA A 11 1.897 -1.481 6.106 1.00 0.00 H new ATOM 0 HA ALA A 11 1.975 1.404 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.456 1.241 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.039 0.126 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.259 -0.493 6.369 1.00 0.00 H new ATOM 150 N LYS A 12 1.653 2.289 7.859 1.00 0.00 N ATOM 151 CA LYS A 12 1.675 2.825 9.217 1.00 0.00 C ATOM 152 C LYS A 12 0.300 2.733 9.859 1.00 0.00 C ATOM 153 O LYS A 12 0.148 2.150 10.932 1.00 0.00 O ATOM 154 CB LYS A 12 2.130 4.285 9.223 1.00 0.00 C ATOM 155 CG LYS A 12 3.632 4.474 9.115 1.00 0.00 C ATOM 156 CD LYS A 12 4.339 4.062 10.397 1.00 0.00 C ATOM 157 CE LYS A 12 5.835 4.304 10.310 1.00 0.00 C ATOM 158 NZ LYS A 12 6.540 3.923 11.560 1.00 0.00 N ATOM 0 H LYS A 12 1.602 3.002 7.131 1.00 0.00 H new ATOM 0 HA LYS A 12 2.382 2.226 9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.650 4.806 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.782 4.758 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.015 3.885 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.854 5.518 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.927 4.622 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.151 3.007 10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.245 3.735 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.019 5.357 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.558 4.106 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.168 4.484 12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.388 2.912 11.750 1.00 0.00 H new ATOM 172 N PHE A 13 -0.699 3.310 9.201 1.00 0.00 N ATOM 173 CA PHE A 13 -2.043 3.381 9.765 1.00 0.00 C ATOM 174 C PHE A 13 -3.103 3.055 8.722 1.00 0.00 C ATOM 175 O PHE A 13 -2.835 3.092 7.524 1.00 0.00 O ATOM 176 CB PHE A 13 -2.312 4.773 10.346 1.00 0.00 C ATOM 177 CG PHE A 13 -1.512 5.086 11.575 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.885 4.571 12.808 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.390 5.894 11.500 1.00 0.00 C ATOM 180 CE1 PHE A 13 -1.152 4.859 13.943 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.347 6.185 12.632 1.00 0.00 C ATOM 182 CZ PHE A 13 -0.034 5.666 13.854 1.00 0.00 C ATOM 0 H PHE A 13 -0.605 3.735 8.278 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.100 2.639 10.561 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.096 5.522 9.584 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.372 4.857 10.584 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.757 3.938 12.881 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.088 6.301 10.546 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.452 4.454 14.898 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.220 6.817 12.561 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.542 5.891 14.740 1.00 0.00 H new ATOM 192 N ASP A 14 -4.297 2.725 9.206 1.00 0.00 N ATOM 193 CA ASP A 14 -5.458 2.447 8.358 1.00 0.00 C ATOM 194 C ASP A 14 -5.706 3.543 7.328 1.00 0.00 C ATOM 195 O ASP A 14 -5.772 4.728 7.666 1.00 0.00 O ATOM 196 CB ASP A 14 -6.725 2.331 9.202 1.00 0.00 C ATOM 197 CG ASP A 14 -6.778 1.112 10.096 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.714 0.586 10.477 1.00 0.00 O ATOM 199 OD2 ASP A 14 -7.904 0.680 10.433 1.00 0.00 O ATOM 0 H ASP A 14 -4.490 2.642 10.204 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.234 1.511 7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.816 3.223 9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.588 2.315 8.537 1.00 0.00 H new ATOM 204 N TYR A 15 -5.858 3.141 6.078 1.00 0.00 N ATOM 205 CA TYR A 15 -6.360 4.025 5.042 1.00 0.00 C ATOM 206 C TYR A 15 -7.375 3.276 4.190 1.00 0.00 C ATOM 207 O TYR A 15 -7.022 2.384 3.416 1.00 0.00 O ATOM 208 CB TYR A 15 -5.222 4.585 4.176 1.00 0.00 C ATOM 209 CG TYR A 15 -5.671 5.091 2.819 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.636 6.085 2.704 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.133 4.566 1.652 1.00 0.00 C ATOM 212 CE1 TYR A 15 -7.051 6.536 1.465 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.542 5.017 0.411 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.500 6.000 0.323 1.00 0.00 C ATOM 215 OH TYR A 15 -6.903 6.451 -0.912 1.00 0.00 O ATOM 0 H TYR A 15 -5.638 2.199 5.755 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.846 4.877 5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.737 5.400 4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.472 3.807 4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.068 6.512 3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.382 3.792 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.805 7.306 1.393 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.111 4.599 -0.487 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.415 5.969 -1.612 1.00 0.00 H new ATOM 225 N VAL A 16 -8.633 3.654 4.330 1.00 0.00 N ATOM 226 CA VAL A 16 -9.702 3.016 3.590 1.00 0.00 C ATOM 227 C VAL A 16 -9.973 3.782 2.310 1.00 0.00 C ATOM 228 O VAL A 16 -10.131 5.004 2.326 1.00 0.00 O ATOM 229 CB VAL A 16 -11.001 2.922 4.422 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.110 2.255 3.620 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.747 2.171 5.724 1.00 0.00 C ATOM 0 H VAL A 16 -8.938 4.403 4.952 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.380 2.002 3.355 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.325 3.933 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.014 2.200 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.310 2.838 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.800 1.249 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.672 2.114 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.396 1.164 5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.991 2.698 6.306 1.00 0.00 H new ATOM 241 N ALA A 17 -10.016 3.067 1.206 1.00 0.00 N ATOM 242 CA ALA A 17 -10.271 3.680 -0.078 1.00 0.00 C ATOM 243 C ALA A 17 -11.770 3.714 -0.333 1.00 0.00 C ATOM 244 O ALA A 17 -12.444 2.686 -0.244 1.00 0.00 O ATOM 245 CB ALA A 17 -9.550 2.920 -1.180 1.00 0.00 C ATOM 0 H ALA A 17 -9.877 2.057 1.173 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.891 4.702 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.752 3.394 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.477 2.932 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.904 1.889 -1.202 1.00 0.00 H new ATOM 251 N GLN A 18 -12.295 4.896 -0.626 1.00 0.00 N ATOM 252 CA GLN A 18 -13.724 5.056 -0.854 1.00 0.00 C ATOM 253 C GLN A 18 -14.158 4.282 -2.099 1.00 0.00 C ATOM 254 O GLN A 18 -15.311 3.878 -2.228 1.00 0.00 O ATOM 255 CB GLN A 18 -14.087 6.536 -1.003 1.00 0.00 C ATOM 256 CG GLN A 18 -15.582 6.794 -0.949 1.00 0.00 C ATOM 257 CD GLN A 18 -16.036 7.814 -1.967 1.00 0.00 C ATOM 258 OE1 GLN A 18 -16.373 7.333 -3.150 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -16.080 9.015 -1.698 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.754 5.756 -0.711 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.252 4.654 0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.598 7.105 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.695 6.906 -1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.114 5.858 -1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.851 7.139 0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.810 9.340 -0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.387 9.685 -2.404 1.00 0.00 H new ATOM 268 N GLN A 19 -13.223 4.098 -3.018 1.00 0.00 N ATOM 269 CA GLN A 19 -13.451 3.306 -4.217 1.00 0.00 C ATOM 270 C GLN A 19 -12.271 2.374 -4.441 1.00 0.00 C ATOM 271 O GLN A 19 -11.130 2.745 -4.171 1.00 0.00 O ATOM 272 CB GLN A 19 -13.641 4.212 -5.437 1.00 0.00 C ATOM 273 CG GLN A 19 -14.971 4.946 -5.454 1.00 0.00 C ATOM 274 CD GLN A 19 -16.151 4.013 -5.656 1.00 0.00 C ATOM 275 OE1 GLN A 19 -16.562 3.752 -6.786 1.00 0.00 O ATOM 276 NE2 GLN A 19 -16.702 3.505 -4.566 1.00 0.00 N ATOM 0 H GLN A 19 -12.285 4.493 -2.954 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.359 2.719 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.833 4.943 -5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.557 3.610 -6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.096 5.485 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.961 5.690 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.331 3.747 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.498 2.872 -4.644 1.00 0.00 H new ATOM 285 N GLU A 20 -12.548 1.172 -4.933 1.00 0.00 N ATOM 286 CA GLU A 20 -11.503 0.183 -5.183 1.00 0.00 C ATOM 287 C GLU A 20 -10.619 0.575 -6.365 1.00 0.00 C ATOM 288 O GLU A 20 -9.686 -0.148 -6.710 1.00 0.00 O ATOM 289 CB GLU A 20 -12.103 -1.204 -5.401 1.00 0.00 C ATOM 290 CG GLU A 20 -12.752 -1.772 -4.151 1.00 0.00 C ATOM 291 CD GLU A 20 -13.196 -3.205 -4.324 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.288 -3.426 -4.888 1.00 0.00 O ATOM 293 OE2 GLU A 20 -12.460 -4.113 -3.891 1.00 0.00 O ATOM 0 H GLU A 20 -13.489 0.857 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.872 0.153 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.845 -1.152 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.320 -1.884 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.047 -1.712 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.613 -1.159 -3.883 1.00 0.00 H new ATOM 300 N GLN A 21 -10.937 1.702 -7.003 1.00 0.00 N ATOM 301 CA GLN A 21 -10.076 2.260 -8.043 1.00 0.00 C ATOM 302 C GLN A 21 -8.724 2.636 -7.428 1.00 0.00 C ATOM 303 O GLN A 21 -7.699 2.641 -8.105 1.00 0.00 O ATOM 304 CB GLN A 21 -10.718 3.502 -8.679 1.00 0.00 C ATOM 305 CG GLN A 21 -10.508 4.774 -7.870 1.00 0.00 C ATOM 306 CD GLN A 21 -11.069 6.011 -8.539 1.00 0.00 C ATOM 307 OE1 GLN A 21 -12.106 5.962 -9.204 1.00 0.00 O ATOM 308 NE2 GLN A 21 -10.369 7.124 -8.389 1.00 0.00 N ATOM 0 H GLN A 21 -11.781 2.244 -6.818 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.937 1.511 -8.822 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.305 3.644 -9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.788 3.328 -8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.975 4.655 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.441 4.915 -7.699 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.516 7.119 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.682 7.987 -8.833 1.00 0.00 H new ATOM 317 N GLU A 22 -8.757 2.943 -6.132 1.00 0.00 N ATOM 318 CA GLU A 22 -7.564 3.286 -5.376 1.00 0.00 C ATOM 319 C GLU A 22 -7.123 2.088 -4.553 1.00 0.00 C ATOM 320 O GLU A 22 -7.729 1.016 -4.630 1.00 0.00 O ATOM 321 CB GLU A 22 -7.823 4.476 -4.449 1.00 0.00 C ATOM 322 CG GLU A 22 -8.244 5.743 -5.174 1.00 0.00 C ATOM 323 CD GLU A 22 -7.271 6.157 -6.265 1.00 0.00 C ATOM 324 OE1 GLU A 22 -6.050 5.928 -6.102 1.00 0.00 O ATOM 325 OE2 GLU A 22 -7.735 6.724 -7.280 1.00 0.00 O ATOM 0 H GLU A 22 -9.615 2.960 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.779 3.563 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.599 4.204 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.919 4.681 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.230 5.593 -5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.337 6.554 -4.452 1.00 0.00 H new ATOM 332 N LEU A 23 -6.084 2.261 -3.759 1.00 0.00 N ATOM 333 CA LEU A 23 -5.556 1.156 -2.989 1.00 0.00 C ATOM 334 C LEU A 23 -5.994 1.275 -1.534 1.00 0.00 C ATOM 335 O LEU A 23 -5.826 2.314 -0.900 1.00 0.00 O ATOM 336 CB LEU A 23 -4.026 1.133 -3.092 1.00 0.00 C ATOM 337 CG LEU A 23 -3.380 -0.249 -2.967 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.389 -0.741 -1.532 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.098 -1.237 -3.860 1.00 0.00 C ATOM 0 H LEU A 23 -5.594 3.147 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.946 0.221 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.737 1.565 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.617 1.778 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.340 -0.163 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.922 -1.725 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.834 -0.044 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.417 -0.809 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.632 -2.218 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.145 -1.302 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.035 -0.904 -4.896 1.00 0.00 H new ATOM 351 N ASP A 24 -6.561 0.196 -1.018 1.00 0.00 N ATOM 352 CA ASP A 24 -7.026 0.145 0.363 1.00 0.00 C ATOM 353 C ASP A 24 -5.974 -0.507 1.250 1.00 0.00 C ATOM 354 O ASP A 24 -5.500 -1.607 0.948 1.00 0.00 O ATOM 355 CB ASP A 24 -8.337 -0.624 0.438 1.00 0.00 C ATOM 356 CG ASP A 24 -8.836 -0.815 1.856 1.00 0.00 C ATOM 357 OD1 ASP A 24 -9.534 0.082 2.365 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.549 -1.878 2.454 1.00 0.00 O ATOM 0 H ASP A 24 -6.712 -0.667 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.194 1.161 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.095 -0.094 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.206 -1.600 -0.029 1.00 0.00 H new ATOM 363 N ILE A 25 -5.595 0.168 2.331 1.00 0.00 N ATOM 364 CA ILE A 25 -4.531 -0.329 3.192 1.00 0.00 C ATOM 365 C ILE A 25 -4.938 -0.277 4.665 1.00 0.00 C ATOM 366 O ILE A 25 -5.849 0.454 5.048 1.00 0.00 O ATOM 367 CB ILE A 25 -3.205 0.454 2.987 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.294 1.882 3.526 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.828 0.489 1.520 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.313 2.147 4.635 1.00 0.00 C ATOM 0 H ILE A 25 -6.006 1.053 2.629 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.362 -1.368 2.908 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.434 -0.073 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.115 2.585 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.305 2.066 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.897 1.042 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.697 -0.529 1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.619 0.980 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.421 3.176 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.507 1.466 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.298 1.992 4.268 1.00 0.00 H new ATOM 382 N LYS A 26 -4.253 -1.049 5.490 1.00 0.00 N ATOM 383 CA LYS A 26 -4.595 -1.150 6.902 1.00 0.00 C ATOM 384 C LYS A 26 -3.347 -0.904 7.746 1.00 0.00 C ATOM 385 O LYS A 26 -2.233 -1.003 7.232 1.00 0.00 O ATOM 386 CB LYS A 26 -5.175 -2.543 7.191 1.00 0.00 C ATOM 387 CG LYS A 26 -5.906 -2.647 8.519 1.00 0.00 C ATOM 388 CD LYS A 26 -7.130 -1.749 8.542 1.00 0.00 C ATOM 389 CE LYS A 26 -8.268 -2.304 7.698 1.00 0.00 C ATOM 390 NZ LYS A 26 -8.838 -3.550 8.277 1.00 0.00 N ATOM 0 H LYS A 26 -3.454 -1.617 5.208 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.344 -0.400 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.862 -2.813 6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.365 -3.272 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.206 -3.680 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.233 -2.370 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.469 -1.627 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.859 -0.759 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.053 -1.553 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.906 -2.506 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.754 -3.754 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.186 -4.342 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.973 -3.427 9.301 1.00 0.00 H new ATOM 404 N LYS A 27 -3.517 -0.560 9.021 1.00 0.00 N ATOM 405 CA LYS A 27 -2.376 -0.391 9.915 1.00 0.00 C ATOM 406 C LYS A 27 -1.525 -1.655 9.941 1.00 0.00 C ATOM 407 O LYS A 27 -2.032 -2.749 10.205 1.00 0.00 O ATOM 408 CB LYS A 27 -2.830 -0.049 11.336 1.00 0.00 C ATOM 409 CG LYS A 27 -1.687 -0.039 12.343 1.00 0.00 C ATOM 410 CD LYS A 27 -2.167 0.250 13.753 1.00 0.00 C ATOM 411 CE LYS A 27 -1.022 0.132 14.750 1.00 0.00 C ATOM 412 NZ LYS A 27 -1.477 0.304 16.157 1.00 0.00 N ATOM 0 H LYS A 27 -4.425 -0.394 9.454 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.779 0.437 9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.311 0.929 11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.581 -0.772 11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.180 -1.004 12.324 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.953 0.712 12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.593 1.252 13.799 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.962 -0.446 14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.547 -0.843 14.641 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.265 0.882 14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.663 0.215 16.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.907 1.244 16.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.180 -0.428 16.386 1.00 0.00 H new ATOM 426 N ASN A 28 -0.239 -1.487 9.644 1.00 0.00 N ATOM 427 CA ASN A 28 0.737 -2.581 9.671 1.00 0.00 C ATOM 428 C ASN A 28 0.433 -3.615 8.580 1.00 0.00 C ATOM 429 O ASN A 28 0.850 -4.770 8.656 1.00 0.00 O ATOM 430 CB ASN A 28 0.767 -3.235 11.065 1.00 0.00 C ATOM 431 CG ASN A 28 2.021 -4.061 11.314 1.00 0.00 C ATOM 432 OD1 ASN A 28 3.054 -3.537 11.729 1.00 0.00 O ATOM 433 ND2 ASN A 28 1.935 -5.361 11.080 1.00 0.00 N ATOM 0 H ASN A 28 0.160 -0.587 9.377 1.00 0.00 H new ATOM 0 HA ASN A 28 1.725 -2.168 9.466 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.695 -2.457 11.825 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.109 -3.874 11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.742 -5.963 11.244 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.062 -5.761 10.736 1.00 0.00 H new ATOM 440 N GLU A 29 -0.284 -3.188 7.552 1.00 0.00 N ATOM 441 CA GLU A 29 -0.590 -4.059 6.429 1.00 0.00 C ATOM 442 C GLU A 29 0.513 -3.960 5.383 1.00 0.00 C ATOM 443 O GLU A 29 1.097 -2.898 5.185 1.00 0.00 O ATOM 444 CB GLU A 29 -1.947 -3.693 5.828 1.00 0.00 C ATOM 445 CG GLU A 29 -2.433 -4.677 4.781 1.00 0.00 C ATOM 446 CD GLU A 29 -2.413 -6.102 5.282 1.00 0.00 C ATOM 447 OE1 GLU A 29 -3.348 -6.502 6.002 1.00 0.00 O ATOM 448 OE2 GLU A 29 -1.456 -6.830 4.956 1.00 0.00 O ATOM 0 H GLU A 29 -0.664 -2.245 7.473 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.643 -5.090 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.685 -3.633 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.881 -2.702 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.447 -4.414 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.807 -4.598 3.892 1.00 0.00 H new ATOM 455 N ARG A 30 0.803 -5.067 4.729 1.00 0.00 N ATOM 456 CA ARG A 30 1.864 -5.115 3.737 1.00 0.00 C ATOM 457 C ARG A 30 1.300 -4.848 2.348 1.00 0.00 C ATOM 458 O ARG A 30 0.285 -5.427 1.957 1.00 0.00 O ATOM 459 CB ARG A 30 2.537 -6.485 3.771 1.00 0.00 C ATOM 460 CG ARG A 30 1.603 -7.599 3.344 1.00 0.00 C ATOM 461 CD ARG A 30 2.083 -8.969 3.796 1.00 0.00 C ATOM 462 NE ARG A 30 2.326 -9.033 5.239 1.00 0.00 N ATOM 463 CZ ARG A 30 1.365 -9.109 6.161 1.00 0.00 C ATOM 464 NH1 ARG A 30 0.087 -9.074 5.800 1.00 0.00 N ATOM 465 NH2 ARG A 30 1.682 -9.206 7.446 1.00 0.00 N ATOM 0 H ARG A 30 0.316 -5.953 4.867 1.00 0.00 H new ATOM 0 HA ARG A 30 2.601 -4.346 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.409 -6.475 3.117 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.898 -6.684 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.610 -7.413 3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.507 -7.592 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.340 -9.718 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.001 -9.222 3.265 1.00 0.00 H new ATOM 0 HE ARG A 30 3.294 -9.018 5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.162 -8.989 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.645 -9.132 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.662 -9.222 7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.946 -9.264 8.150 1.00 0.00 H new ATOM 479 N LEU A 31 1.946 -3.969 1.602 1.00 0.00 N ATOM 480 CA LEU A 31 1.496 -3.665 0.254 1.00 0.00 C ATOM 481 C LEU A 31 2.632 -3.883 -0.743 1.00 0.00 C ATOM 482 O LEU A 31 3.790 -4.004 -0.358 1.00 0.00 O ATOM 483 CB LEU A 31 0.972 -2.222 0.131 1.00 0.00 C ATOM 484 CG LEU A 31 -0.235 -1.843 1.006 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.248 -2.975 1.072 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.206 -1.420 2.401 1.00 0.00 C ATOM 0 H LEU A 31 2.776 -3.457 1.902 1.00 0.00 H new ATOM 0 HA LEU A 31 0.671 -4.341 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.790 -1.542 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.704 -2.046 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.724 -0.989 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.088 -2.675 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.606 -3.202 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.777 -3.861 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.669 -1.158 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.737 -2.243 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.866 -0.556 2.327 1.00 0.00 H new ATOM 498 N TRP A 32 2.296 -3.933 -2.017 1.00 0.00 N ATOM 499 CA TRP A 32 3.293 -4.067 -3.074 1.00 0.00 C ATOM 500 C TRP A 32 3.518 -2.720 -3.742 1.00 0.00 C ATOM 501 O TRP A 32 2.577 -2.117 -4.250 1.00 0.00 O ATOM 502 CB TRP A 32 2.851 -5.098 -4.119 1.00 0.00 C ATOM 503 CG TRP A 32 3.021 -6.519 -3.678 1.00 0.00 C ATOM 504 CD1 TRP A 32 4.064 -7.341 -3.987 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.132 -7.290 -2.857 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.883 -8.573 -3.410 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.706 -8.568 -2.709 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.912 -7.028 -2.229 1.00 0.00 C ATOM 509 CZ2 TRP A 32 2.100 -9.577 -1.962 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.315 -8.030 -1.488 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.907 -9.290 -1.361 1.00 0.00 C ATOM 0 H TRP A 32 1.334 -3.883 -2.352 1.00 0.00 H new ATOM 0 HA TRP A 32 4.224 -4.412 -2.625 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.803 -4.927 -4.364 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.422 -4.941 -5.034 1.00 0.00 H new ATOM 0 HD1 TRP A 32 4.910 -7.063 -4.598 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.522 -9.364 -3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.444 -6.059 -2.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.557 -10.550 -1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.627 -7.836 -0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.412 -10.051 -0.777 1.00 0.00 H new ATOM 522 N LEU A 33 4.756 -2.253 -3.745 1.00 0.00 N ATOM 523 CA LEU A 33 5.058 -0.909 -4.213 1.00 0.00 C ATOM 524 C LEU A 33 5.643 -0.922 -5.619 1.00 0.00 C ATOM 525 O LEU A 33 6.608 -1.632 -5.898 1.00 0.00 O ATOM 526 CB LEU A 33 6.024 -0.238 -3.239 1.00 0.00 C ATOM 527 CG LEU A 33 6.405 1.203 -3.570 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.161 2.060 -3.740 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.288 1.768 -2.472 1.00 0.00 C ATOM 0 H LEU A 33 5.568 -2.784 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 33 4.128 -0.342 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.579 -0.257 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.936 -0.834 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 33 6.957 1.212 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.454 3.083 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.552 1.661 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.584 2.051 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.556 2.796 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.749 1.747 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.193 1.167 -2.388 1.00 0.00 H new ATOM 541 N LEU A 34 5.052 -0.124 -6.494 1.00 0.00 N ATOM 542 CA LEU A 34 5.510 -0.029 -7.869 1.00 0.00 C ATOM 543 C LEU A 34 6.160 1.329 -8.115 1.00 0.00 C ATOM 544 O LEU A 34 7.264 1.420 -8.654 1.00 0.00 O ATOM 545 CB LEU A 34 4.344 -0.234 -8.849 1.00 0.00 C ATOM 546 CG LEU A 34 3.580 -1.565 -8.732 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.540 -2.732 -8.577 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.584 -1.535 -7.582 1.00 0.00 C ATOM 0 H LEU A 34 4.251 0.469 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 34 6.246 -0.815 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.634 0.581 -8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.732 -0.150 -9.864 1.00 0.00 H new ATOM 0 HG LEU A 34 3.020 -1.702 -9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.974 -3.660 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.196 -2.781 -9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.139 -2.593 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.062 -2.490 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.114 -1.358 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.862 -0.736 -7.747 1.00 0.00 H new ATOM 560 N ASP A 35 5.473 2.388 -7.700 1.00 0.00 N ATOM 561 CA ASP A 35 5.952 3.752 -7.910 1.00 0.00 C ATOM 562 C ASP A 35 5.923 4.538 -6.607 1.00 0.00 C ATOM 563 O ASP A 35 4.865 4.701 -6.001 1.00 0.00 O ATOM 564 CB ASP A 35 5.089 4.481 -8.949 1.00 0.00 C ATOM 565 CG ASP A 35 5.202 3.906 -10.347 1.00 0.00 C ATOM 566 OD1 ASP A 35 4.458 2.957 -10.674 1.00 0.00 O ATOM 567 OD2 ASP A 35 6.020 4.423 -11.138 1.00 0.00 O ATOM 0 H ASP A 35 4.578 2.328 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 35 6.977 3.687 -8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.046 4.443 -8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.376 5.532 -8.974 1.00 0.00 H new ATOM 572 N ASP A 36 7.080 5.025 -6.177 1.00 0.00 N ATOM 573 CA ASP A 36 7.168 5.825 -4.956 1.00 0.00 C ATOM 574 C ASP A 36 8.027 7.065 -5.172 1.00 0.00 C ATOM 575 O ASP A 36 8.662 7.568 -4.242 1.00 0.00 O ATOM 576 CB ASP A 36 7.727 4.994 -3.793 1.00 0.00 C ATOM 577 CG ASP A 36 9.093 4.388 -4.070 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.153 3.272 -4.632 1.00 0.00 O ATOM 579 OD2 ASP A 36 10.107 5.005 -3.696 1.00 0.00 O ATOM 0 H ASP A 36 7.971 4.882 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 36 6.158 6.145 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.793 5.626 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.025 4.193 -3.561 1.00 0.00 H new ATOM 584 N SER A 37 8.005 7.589 -6.389 1.00 0.00 N ATOM 585 CA SER A 37 8.845 8.721 -6.738 1.00 0.00 C ATOM 586 C SER A 37 8.335 10.028 -6.129 1.00 0.00 C ATOM 587 O SER A 37 9.111 10.965 -5.928 1.00 0.00 O ATOM 588 CB SER A 37 8.943 8.847 -8.260 1.00 0.00 C ATOM 589 OG SER A 37 7.657 8.927 -8.855 1.00 0.00 O ATOM 0 H SER A 37 7.415 7.248 -7.148 1.00 0.00 H new ATOM 0 HA SER A 37 9.836 8.537 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.521 9.735 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.480 7.989 -8.664 1.00 0.00 H new ATOM 0 HG SER A 37 7.751 9.009 -9.827 1.00 0.00 H new ATOM 595 N LYS A 38 7.039 10.096 -5.824 1.00 0.00 N ATOM 596 CA LYS A 38 6.453 11.337 -5.338 1.00 0.00 C ATOM 597 C LYS A 38 5.134 11.108 -4.598 1.00 0.00 C ATOM 598 O LYS A 38 4.234 10.454 -5.119 1.00 0.00 O ATOM 599 CB LYS A 38 6.226 12.283 -6.517 1.00 0.00 C ATOM 600 CG LYS A 38 5.633 13.623 -6.123 1.00 0.00 C ATOM 601 CD LYS A 38 5.335 14.478 -7.341 1.00 0.00 C ATOM 602 CE LYS A 38 4.687 15.790 -6.944 1.00 0.00 C ATOM 603 NZ LYS A 38 4.373 16.642 -8.121 1.00 0.00 N ATOM 0 H LYS A 38 6.386 9.316 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 38 7.151 11.777 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.176 12.452 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.563 11.800 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.716 13.464 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.326 14.150 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.259 14.675 -7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.676 13.934 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.770 15.587 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.352 16.333 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.932 17.528 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.250 16.859 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.717 16.136 -8.750 1.00 0.00 H new ATOM 617 N SER A 39 5.075 11.641 -3.371 1.00 0.00 N ATOM 618 CA SER A 39 3.848 11.753 -2.558 1.00 0.00 C ATOM 619 C SER A 39 2.949 10.512 -2.593 1.00 0.00 C ATOM 620 O SER A 39 3.128 9.585 -1.800 1.00 0.00 O ATOM 621 CB SER A 39 3.058 13.010 -2.955 1.00 0.00 C ATOM 622 OG SER A 39 2.830 13.061 -4.355 1.00 0.00 O ATOM 0 H SER A 39 5.898 12.017 -2.900 1.00 0.00 H new ATOM 0 HA SER A 39 4.183 11.837 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.103 13.022 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.606 13.899 -2.642 1.00 0.00 H new ATOM 0 HG SER A 39 1.871 13.167 -4.527 1.00 0.00 H new ATOM 628 N TRP A 40 1.983 10.510 -3.500 1.00 0.00 N ATOM 629 CA TRP A 40 1.011 9.432 -3.584 1.00 0.00 C ATOM 630 C TRP A 40 1.629 8.213 -4.244 1.00 0.00 C ATOM 631 O TRP A 40 1.811 8.172 -5.462 1.00 0.00 O ATOM 632 CB TRP A 40 -0.231 9.887 -4.349 1.00 0.00 C ATOM 633 CG TRP A 40 -1.070 10.862 -3.583 1.00 0.00 C ATOM 634 CD1 TRP A 40 -0.853 12.203 -3.451 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.258 10.570 -2.843 1.00 0.00 C ATOM 636 NE1 TRP A 40 -1.837 12.765 -2.674 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.712 11.782 -2.291 1.00 0.00 C ATOM 638 CE3 TRP A 40 -2.986 9.402 -2.597 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.858 11.857 -1.506 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.124 9.479 -1.816 1.00 0.00 C ATOM 641 CH2 TRP A 40 -4.551 10.698 -1.280 1.00 0.00 C ATOM 0 H TRP A 40 1.852 11.248 -4.192 1.00 0.00 H new ATOM 0 HA TRP A 40 0.708 9.160 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.076 10.343 -5.290 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.835 9.015 -4.599 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.029 12.743 -3.893 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.905 13.751 -2.423 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.665 8.457 -3.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.189 12.797 -1.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.693 8.583 -1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.446 10.726 -0.676 1.00 0.00 H new ATOM 652 N TRP A 41 1.951 7.226 -3.426 1.00 0.00 N ATOM 653 CA TRP A 41 2.645 6.044 -3.897 1.00 0.00 C ATOM 654 C TRP A 41 1.687 5.058 -4.551 1.00 0.00 C ATOM 655 O TRP A 41 0.552 4.881 -4.114 1.00 0.00 O ATOM 656 CB TRP A 41 3.416 5.387 -2.748 1.00 0.00 C ATOM 657 CG TRP A 41 4.516 6.257 -2.211 1.00 0.00 C ATOM 658 CD1 TRP A 41 5.139 7.284 -2.863 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.128 6.175 -0.920 1.00 0.00 C ATOM 660 NE1 TRP A 41 6.102 7.841 -2.058 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.113 7.180 -0.859 1.00 0.00 C ATOM 662 CE3 TRP A 41 4.942 5.350 0.192 1.00 0.00 C ATOM 663 CZ2 TRP A 41 6.904 7.379 0.265 1.00 0.00 C ATOM 664 CZ3 TRP A 41 5.725 5.553 1.310 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.696 6.558 1.341 1.00 0.00 C ATOM 0 H TRP A 41 1.741 7.222 -2.428 1.00 0.00 H new ATOM 0 HA TRP A 41 3.360 6.353 -4.660 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.723 5.147 -1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.841 4.445 -3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.907 7.610 -3.866 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.710 8.620 -2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.198 4.567 0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.656 8.154 0.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.585 4.924 2.177 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.294 6.690 2.231 1.00 0.00 H new ATOM 676 N ARG A 42 2.168 4.432 -5.605 1.00 0.00 N ATOM 677 CA ARG A 42 1.377 3.513 -6.402 1.00 0.00 C ATOM 678 C ARG A 42 1.618 2.088 -5.930 1.00 0.00 C ATOM 679 O ARG A 42 2.716 1.547 -6.098 1.00 0.00 O ATOM 680 CB ARG A 42 1.780 3.684 -7.862 1.00 0.00 C ATOM 681 CG ARG A 42 0.960 2.900 -8.867 1.00 0.00 C ATOM 682 CD ARG A 42 1.459 3.194 -10.271 1.00 0.00 C ATOM 683 NE ARG A 42 0.726 2.474 -11.308 1.00 0.00 N ATOM 684 CZ ARG A 42 1.315 1.895 -12.355 1.00 0.00 C ATOM 685 NH1 ARG A 42 2.642 1.858 -12.450 1.00 0.00 N ATOM 686 NH2 ARG A 42 0.576 1.346 -13.307 1.00 0.00 N ATOM 0 H ARG A 42 3.126 4.546 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 42 0.313 3.724 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.717 4.742 -8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.825 3.393 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.035 1.833 -8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.093 3.168 -8.781 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.383 4.265 -10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.515 2.934 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.289 2.411 -11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.218 2.275 -11.718 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.083 1.413 -13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.441 1.367 -13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.024 0.903 -14.109 1.00 0.00 H new ATOM 700 N VAL A 43 0.602 1.488 -5.331 1.00 0.00 N ATOM 701 CA VAL A 43 0.754 0.182 -4.711 1.00 0.00 C ATOM 702 C VAL A 43 -0.358 -0.776 -5.095 1.00 0.00 C ATOM 703 O VAL A 43 -1.373 -0.383 -5.673 1.00 0.00 O ATOM 704 CB VAL A 43 0.790 0.277 -3.173 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.136 0.784 -2.687 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.321 1.175 -2.669 1.00 0.00 C ATOM 0 H VAL A 43 -0.335 1.884 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 43 1.704 -0.202 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 43 0.640 -0.726 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.132 0.841 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.921 0.101 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.323 1.775 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.279 1.230 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.199 2.174 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.285 0.768 -2.975 1.00 0.00 H new ATOM 716 N ARG A 44 -0.137 -2.038 -4.760 1.00 0.00 N ATOM 717 CA ARG A 44 -1.123 -3.088 -4.932 1.00 0.00 C ATOM 718 C ARG A 44 -1.244 -3.863 -3.624 1.00 0.00 C ATOM 719 O ARG A 44 -0.236 -4.169 -2.995 1.00 0.00 O ATOM 720 CB ARG A 44 -0.697 -4.022 -6.069 1.00 0.00 C ATOM 721 CG ARG A 44 -1.758 -5.036 -6.465 1.00 0.00 C ATOM 722 CD ARG A 44 -1.256 -5.985 -7.540 1.00 0.00 C ATOM 723 NE ARG A 44 -0.849 -5.278 -8.755 1.00 0.00 N ATOM 724 CZ ARG A 44 0.219 -5.601 -9.481 1.00 0.00 C ATOM 725 NH1 ARG A 44 0.982 -6.631 -9.126 1.00 0.00 N ATOM 726 NH2 ARG A 44 0.522 -4.903 -10.568 1.00 0.00 N ATOM 0 H ARG A 44 0.742 -2.363 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.089 -2.655 -5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.439 -3.422 -6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.206 -4.554 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.060 -5.608 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.644 -4.513 -6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.411 -6.555 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.040 -6.702 -7.784 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.418 -4.490 -9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.749 -7.176 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.800 -6.876 -9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.064 -4.117 -10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.341 -5.153 -11.123 1.00 0.00 H new ATOM 740 N ASN A 45 -2.462 -4.150 -3.198 1.00 0.00 N ATOM 741 CA ASN A 45 -2.669 -4.866 -1.942 1.00 0.00 C ATOM 742 C ASN A 45 -2.904 -6.354 -2.178 1.00 0.00 C ATOM 743 O ASN A 45 -2.934 -6.820 -3.320 1.00 0.00 O ATOM 744 CB ASN A 45 -3.841 -4.265 -1.144 1.00 0.00 C ATOM 745 CG ASN A 45 -5.150 -4.194 -1.920 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.390 -4.962 -2.851 1.00 0.00 O ATOM 747 ND2 ASN A 45 -6.018 -3.275 -1.522 1.00 0.00 N ATOM 0 H ASN A 45 -3.318 -3.903 -3.695 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.757 -4.754 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.996 -4.860 -0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.568 -3.261 -0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.919 -3.187 -1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.785 -2.655 -0.746 1.00 0.00 H new ATOM 754 N SER A 46 -3.087 -7.088 -1.086 1.00 0.00 N ATOM 755 CA SER A 46 -3.286 -8.532 -1.134 1.00 0.00 C ATOM 756 C SER A 46 -4.644 -8.889 -1.740 1.00 0.00 C ATOM 757 O SER A 46 -4.928 -10.057 -2.000 1.00 0.00 O ATOM 758 CB SER A 46 -3.167 -9.117 0.273 1.00 0.00 C ATOM 759 OG SER A 46 -1.949 -8.723 0.882 1.00 0.00 O ATOM 0 H SER A 46 -3.102 -6.699 -0.143 1.00 0.00 H new ATOM 0 HA SER A 46 -2.514 -8.961 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.007 -8.784 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.219 -10.205 0.225 1.00 0.00 H new ATOM 0 HG SER A 46 -1.894 -9.107 1.782 1.00 0.00 H new ATOM 765 N MET A 47 -5.480 -7.883 -1.954 1.00 0.00 N ATOM 766 CA MET A 47 -6.773 -8.094 -2.578 1.00 0.00 C ATOM 767 C MET A 47 -6.653 -7.925 -4.093 1.00 0.00 C ATOM 768 O MET A 47 -7.648 -7.966 -4.818 1.00 0.00 O ATOM 769 CB MET A 47 -7.800 -7.117 -2.000 1.00 0.00 C ATOM 770 CG MET A 47 -9.251 -7.428 -2.356 1.00 0.00 C ATOM 771 SD MET A 47 -9.900 -8.903 -1.531 1.00 0.00 S ATOM 772 CE MET A 47 -9.148 -10.221 -2.487 1.00 0.00 C ATOM 0 H MET A 47 -5.284 -6.914 -1.704 1.00 0.00 H new ATOM 0 HA MET A 47 -7.112 -9.109 -2.370 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.701 -7.108 -0.915 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.562 -6.113 -2.350 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.872 -6.572 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.331 -7.561 -3.435 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.878 -11.014 -2.650 1.00 0.00 H new ATOM 0 HE2 MET A 47 -8.817 -9.829 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.292 -10.621 -1.944 1.00 0.00 H new ATOM 782 N ASN A 48 -5.414 -7.724 -4.549 1.00 0.00 N ATOM 783 CA ASN A 48 -5.082 -7.687 -5.978 1.00 0.00 C ATOM 784 C ASN A 48 -5.599 -6.412 -6.639 1.00 0.00 C ATOM 785 O ASN A 48 -5.538 -6.262 -7.860 1.00 0.00 O ATOM 786 CB ASN A 48 -5.624 -8.928 -6.699 1.00 0.00 C ATOM 787 CG ASN A 48 -5.041 -10.211 -6.147 1.00 0.00 C ATOM 788 OD1 ASN A 48 -4.014 -10.702 -6.622 1.00 0.00 O ATOM 789 ND2 ASN A 48 -5.696 -10.764 -5.135 1.00 0.00 N ATOM 0 H ASN A 48 -4.610 -7.582 -3.937 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.995 -7.688 -6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.710 -8.955 -6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.397 -8.856 -7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.354 -11.630 -4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.542 -10.323 -4.773 1.00 0.00 H new ATOM 796 N LYS A 49 -6.091 -5.487 -5.827 1.00 0.00 N ATOM 797 CA LYS A 49 -6.513 -4.189 -6.325 1.00 0.00 C ATOM 798 C LYS A 49 -5.292 -3.283 -6.415 1.00 0.00 C ATOM 799 O LYS A 49 -4.277 -3.555 -5.776 1.00 0.00 O ATOM 800 CB LYS A 49 -7.569 -3.573 -5.397 1.00 0.00 C ATOM 801 CG LYS A 49 -8.768 -4.477 -5.123 1.00 0.00 C ATOM 802 CD LYS A 49 -9.499 -4.878 -6.396 1.00 0.00 C ATOM 803 CE LYS A 49 -10.748 -5.691 -6.081 1.00 0.00 C ATOM 804 NZ LYS A 49 -11.436 -6.164 -7.311 1.00 0.00 N ATOM 0 H LYS A 49 -6.207 -5.613 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.962 -4.303 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.097 -3.317 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.924 -2.642 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.431 -5.374 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.461 -3.964 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.775 -3.985 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.833 -5.461 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.475 -6.549 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.436 -5.084 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.280 -6.712 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.720 -5.346 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.790 -6.766 -7.861 1.00 0.00 H new ATOM 818 N THR A 50 -5.375 -2.223 -7.204 1.00 0.00 N ATOM 819 CA THR A 50 -4.252 -1.309 -7.364 1.00 0.00 C ATOM 820 C THR A 50 -4.739 0.133 -7.298 1.00 0.00 C ATOM 821 O THR A 50 -5.886 0.413 -7.634 1.00 0.00 O ATOM 822 CB THR A 50 -3.522 -1.538 -8.702 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.413 -2.945 -8.965 1.00 0.00 O ATOM 824 CG2 THR A 50 -2.132 -0.926 -8.675 1.00 0.00 C ATOM 0 H THR A 50 -6.205 -1.974 -7.742 1.00 0.00 H new ATOM 0 HA THR A 50 -3.551 -1.503 -6.552 1.00 0.00 H new ATOM 0 HB THR A 50 -4.102 -1.057 -9.490 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.950 -3.084 -9.817 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.638 -1.102 -9.631 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.210 0.147 -8.499 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.549 -1.383 -7.876 1.00 0.00 H new ATOM 832 N GLY A 51 -3.865 1.030 -6.869 1.00 0.00 N ATOM 833 CA GLY A 51 -4.227 2.429 -6.734 1.00 0.00 C ATOM 834 C GLY A 51 -3.141 3.219 -6.034 1.00 0.00 C ATOM 835 O GLY A 51 -2.013 2.733 -5.899 1.00 0.00 O ATOM 0 H GLY A 51 -2.903 0.813 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.410 2.855 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.158 2.512 -6.173 1.00 0.00 H new ATOM 839 N PHE A 52 -3.468 4.427 -5.588 1.00 0.00 N ATOM 840 CA PHE A 52 -2.506 5.274 -4.906 1.00 0.00 C ATOM 841 C PHE A 52 -2.824 5.356 -3.422 1.00 0.00 C ATOM 842 O PHE A 52 -3.974 5.197 -3.007 1.00 0.00 O ATOM 843 CB PHE A 52 -2.499 6.677 -5.519 1.00 0.00 C ATOM 844 CG PHE A 52 -2.080 6.696 -6.963 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.738 6.685 -7.307 1.00 0.00 C ATOM 846 CD2 PHE A 52 -3.028 6.729 -7.977 1.00 0.00 C ATOM 847 CE1 PHE A 52 -0.346 6.703 -8.632 1.00 0.00 C ATOM 848 CE2 PHE A 52 -2.643 6.748 -9.305 1.00 0.00 C ATOM 849 CZ PHE A 52 -1.300 6.735 -9.632 1.00 0.00 C ATOM 0 H PHE A 52 -4.395 4.839 -5.689 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.517 4.833 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.496 7.108 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.825 7.313 -4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.011 6.662 -6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.078 6.740 -7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.704 6.692 -8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.390 6.773 -10.085 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.996 6.750 -10.668 1.00 0.00 H new ATOM 859 N VAL A 53 -1.793 5.582 -2.626 1.00 0.00 N ATOM 860 CA VAL A 53 -1.944 5.701 -1.183 1.00 0.00 C ATOM 861 C VAL A 53 -1.182 6.907 -0.641 1.00 0.00 C ATOM 862 O VAL A 53 -0.168 7.326 -1.205 1.00 0.00 O ATOM 863 CB VAL A 53 -1.470 4.432 -0.439 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.373 3.253 -0.755 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.020 4.112 -0.778 1.00 0.00 C ATOM 0 H VAL A 53 -0.834 5.688 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.011 5.833 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.529 4.626 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.020 2.371 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.392 3.482 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.355 3.058 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.290 3.215 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.074 3.944 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.615 4.948 -0.484 1.00 0.00 H new ATOM 875 N PRO A 54 -1.680 7.483 0.463 1.00 0.00 N ATOM 876 CA PRO A 54 -1.032 8.606 1.142 1.00 0.00 C ATOM 877 C PRO A 54 0.246 8.176 1.859 1.00 0.00 C ATOM 878 O PRO A 54 0.219 7.282 2.708 1.00 0.00 O ATOM 879 CB PRO A 54 -2.086 9.054 2.161 1.00 0.00 C ATOM 880 CG PRO A 54 -2.887 7.825 2.431 1.00 0.00 C ATOM 881 CD PRO A 54 -2.932 7.083 1.130 1.00 0.00 C ATOM 0 HA PRO A 54 -0.728 9.390 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.622 9.434 3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.709 9.855 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.426 7.220 3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.890 8.078 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.978 6.005 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.807 7.358 0.541 1.00 0.00 H new ATOM 889 N SER A 55 1.356 8.824 1.527 1.00 0.00 N ATOM 890 CA SER A 55 2.656 8.502 2.113 1.00 0.00 C ATOM 891 C SER A 55 2.652 8.704 3.629 1.00 0.00 C ATOM 892 O SER A 55 3.454 8.115 4.351 1.00 0.00 O ATOM 893 CB SER A 55 3.732 9.376 1.468 1.00 0.00 C ATOM 894 OG SER A 55 3.303 10.729 1.396 1.00 0.00 O ATOM 0 H SER A 55 1.383 9.584 0.848 1.00 0.00 H new ATOM 0 HA SER A 55 2.870 7.451 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.654 9.312 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.956 9.007 0.467 1.00 0.00 H new ATOM 0 HG SER A 55 4.005 11.273 0.982 1.00 0.00 H new ATOM 900 N ASN A 56 1.729 9.532 4.103 1.00 0.00 N ATOM 901 CA ASN A 56 1.611 9.838 5.523 1.00 0.00 C ATOM 902 C ASN A 56 1.116 8.632 6.316 1.00 0.00 C ATOM 903 O ASN A 56 1.333 8.548 7.523 1.00 0.00 O ATOM 904 CB ASN A 56 0.654 11.018 5.726 1.00 0.00 C ATOM 905 CG ASN A 56 1.201 12.317 5.166 1.00 0.00 C ATOM 906 OD1 ASN A 56 1.071 12.596 3.974 1.00 0.00 O ATOM 907 ND2 ASN A 56 1.797 13.132 6.022 1.00 0.00 N ATOM 0 H ASN A 56 1.044 10.008 3.516 1.00 0.00 H new ATOM 0 HA ASN A 56 2.603 10.101 5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.300 10.794 5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.456 11.141 6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.168 14.026 5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.886 12.866 7.003 1.00 0.00 H new ATOM 914 N TYR A 57 0.454 7.697 5.644 1.00 0.00 N ATOM 915 CA TYR A 57 -0.139 6.560 6.329 1.00 0.00 C ATOM 916 C TYR A 57 0.545 5.253 5.952 1.00 0.00 C ATOM 917 O TYR A 57 0.198 4.196 6.476 1.00 0.00 O ATOM 918 CB TYR A 57 -1.633 6.466 6.014 1.00 0.00 C ATOM 919 CG TYR A 57 -2.461 7.569 6.634 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.609 8.795 5.999 1.00 0.00 C ATOM 921 CD2 TYR A 57 -3.098 7.382 7.852 1.00 0.00 C ATOM 922 CE1 TYR A 57 -3.363 9.804 6.563 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.856 8.386 8.422 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.987 9.593 7.773 1.00 0.00 C ATOM 925 OH TYR A 57 -4.740 10.598 8.337 1.00 0.00 O ATOM 0 H TYR A 57 0.316 7.705 4.633 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.001 6.719 7.398 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.768 6.488 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.008 5.504 6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.126 8.962 5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.000 6.436 8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.463 10.754 6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.344 8.225 9.372 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.113 10.289 9.189 1.00 0.00 H new ATOM 935 N VAL A 58 1.520 5.319 5.053 1.00 0.00 N ATOM 936 CA VAL A 58 2.199 4.116 4.587 1.00 0.00 C ATOM 937 C VAL A 58 3.721 4.262 4.693 1.00 0.00 C ATOM 938 O VAL A 58 4.229 5.348 4.976 1.00 0.00 O ATOM 939 CB VAL A 58 1.818 3.769 3.131 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.321 3.566 2.990 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.298 4.838 2.165 1.00 0.00 C ATOM 0 H VAL A 58 1.856 6.186 4.635 1.00 0.00 H new ATOM 0 HA VAL A 58 1.871 3.303 5.234 1.00 0.00 H new ATOM 0 HB VAL A 58 2.317 2.833 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.083 3.323 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.002 2.749 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.199 4.480 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.014 4.564 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.842 5.794 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.383 4.925 2.228 1.00 0.00 H new ATOM 951 N GLU A 59 4.431 3.162 4.467 1.00 0.00 N ATOM 952 CA GLU A 59 5.892 3.132 4.531 1.00 0.00 C ATOM 953 C GLU A 59 6.467 2.401 3.324 1.00 0.00 C ATOM 954 O GLU A 59 5.738 1.748 2.578 1.00 0.00 O ATOM 955 CB GLU A 59 6.362 2.449 5.815 1.00 0.00 C ATOM 956 CG GLU A 59 6.140 3.284 7.055 1.00 0.00 C ATOM 957 CD GLU A 59 7.109 4.447 7.152 1.00 0.00 C ATOM 958 OE1 GLU A 59 8.203 4.263 7.727 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.784 5.549 6.666 1.00 0.00 O ATOM 0 H GLU A 59 4.011 2.262 4.233 1.00 0.00 H new ATOM 0 HA GLU A 59 6.249 4.162 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.837 1.500 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.424 2.218 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.119 3.665 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.245 2.653 7.938 1.00 0.00 H new ATOM 966 N ARG A 60 7.771 2.525 3.129 1.00 0.00 N ATOM 967 CA ARG A 60 8.421 1.933 1.973 1.00 0.00 C ATOM 968 C ARG A 60 9.316 0.757 2.333 1.00 0.00 C ATOM 969 O ARG A 60 9.260 0.219 3.436 1.00 0.00 O ATOM 970 CB ARG A 60 9.239 2.977 1.222 1.00 0.00 C ATOM 971 CG ARG A 60 8.434 3.716 0.183 1.00 0.00 C ATOM 972 CD ARG A 60 9.310 4.620 -0.664 1.00 0.00 C ATOM 973 NE ARG A 60 9.923 5.692 0.111 1.00 0.00 N ATOM 974 CZ ARG A 60 10.526 6.742 -0.434 1.00 0.00 C ATOM 975 NH1 ARG A 60 10.660 6.836 -1.753 1.00 0.00 N ATOM 976 NH2 ARG A 60 11.014 7.691 0.344 1.00 0.00 N ATOM 0 H ARG A 60 8.398 3.030 3.756 1.00 0.00 H new ATOM 0 HA ARG A 60 7.621 1.556 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.647 3.693 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.086 2.489 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.922 2.999 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.664 4.311 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.092 4.024 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.712 5.053 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 60 9.887 5.632 1.129 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.298 6.097 -2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.125 7.647 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.927 7.615 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.478 8.500 -0.068 1.00 0.00 H new ATOM 990 N LYS A 61 10.126 0.367 1.357 1.00 0.00 N ATOM 991 CA LYS A 61 11.014 -0.774 1.472 1.00 0.00 C ATOM 992 C LYS A 61 12.226 -0.443 2.352 1.00 0.00 C ATOM 993 O LYS A 61 13.141 0.274 1.942 1.00 0.00 O ATOM 994 CB LYS A 61 11.445 -1.218 0.059 1.00 0.00 C ATOM 995 CG LYS A 61 12.256 -0.176 -0.714 1.00 0.00 C ATOM 996 CD LYS A 61 11.883 -0.112 -2.191 1.00 0.00 C ATOM 997 CE LYS A 61 10.728 0.851 -2.431 1.00 0.00 C ATOM 998 NZ LYS A 61 10.480 1.088 -3.879 1.00 0.00 N ATOM 0 H LYS A 61 10.183 0.841 0.456 1.00 0.00 H new ATOM 0 HA LYS A 61 10.488 -1.596 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.036 -2.130 0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.554 -1.467 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.103 0.804 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.317 -0.407 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.749 0.204 -2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.608 -1.107 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.824 0.452 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.943 1.801 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.034 2.019 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.383 1.063 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.849 0.348 -4.249 1.00 0.00 H new ATOM 1012 N ASN A 62 12.199 -0.934 3.585 1.00 0.00 N ATOM 1013 CA ASN A 62 13.313 -0.747 4.512 1.00 0.00 C ATOM 1014 C ASN A 62 13.137 -1.649 5.725 1.00 0.00 C ATOM 1015 O ASN A 62 12.023 -2.079 6.032 1.00 0.00 O ATOM 1016 CB ASN A 62 13.430 0.722 4.953 1.00 0.00 C ATOM 1017 CG ASN A 62 12.309 1.164 5.879 1.00 0.00 C ATOM 1018 OD1 ASN A 62 11.234 1.560 5.431 1.00 0.00 O ATOM 1019 ND2 ASN A 62 12.569 1.146 7.178 1.00 0.00 N ATOM 0 H ASN A 62 11.418 -1.466 3.968 1.00 0.00 H new ATOM 0 HA ASN A 62 14.234 -1.016 3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.386 0.868 5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.434 1.360 4.069 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.866 1.468 7.843 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.472 0.811 7.513 1.00 0.00 H new ATOM 1026 N SER A 63 14.236 -1.955 6.397 1.00 0.00 N ATOM 1027 CA SER A 63 14.201 -2.785 7.589 1.00 0.00 C ATOM 1028 C SER A 63 15.267 -2.332 8.582 1.00 0.00 C ATOM 1029 O SER A 63 14.950 -1.486 9.447 1.00 0.00 O ATOM 1030 CB SER A 63 14.395 -4.260 7.220 1.00 0.00 C ATOM 1031 OG SER A 63 13.326 -4.724 6.405 1.00 0.00 O ATOM 0 H SER A 63 15.169 -1.638 6.134 1.00 0.00 H new ATOM 0 HA SER A 63 13.224 -2.677 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.341 -4.386 6.693 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.453 -4.861 8.127 1.00 0.00 H new ATOM 0 HG SER A 63 13.471 -5.667 6.180 1.00 0.00 H new TER 1037 SER A 63