USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 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+ 140:sc= 0.0173 (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+ 174:sc= 1.26 (180deg=1.14) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.35 F(o=-1.4,f=-0.35) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= 0.496 (180deg=-0.611!) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00779) USER MOD Single : A 28 ASN : amide:sc= 0.409 K(o=0.41,f=-0.24) 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 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.00378 K(o=-0.0038,f=-5.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -152:sc= -0.349 (180deg=-1.5!) USER MOD Single : A 48 ASN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.869) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.545 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00395 K(o=-0.004,f=-0.7) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00965 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.194 -8.324 -17.789 1.00 0.00 N ATOM 2 CA GLY A 1 10.653 -8.338 -16.411 1.00 0.00 C ATOM 3 C GLY A 1 10.699 -9.720 -15.804 1.00 0.00 C ATOM 4 O GLY A 1 10.485 -10.717 -16.496 1.00 0.00 O ATOM 0 H1 GLY A 1 10.611 -7.702 -18.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.172 -7.971 -17.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.180 -9.289 -18.177 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.224 -7.649 -15.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.624 -7.980 -16.421 1.00 0.00 H new ATOM 8 N SER A 2 10.993 -9.785 -14.515 1.00 0.00 N ATOM 9 CA SER A 2 11.064 -11.052 -13.807 1.00 0.00 C ATOM 10 C SER A 2 10.848 -10.824 -12.317 1.00 0.00 C ATOM 11 O SER A 2 11.221 -9.778 -11.779 1.00 0.00 O ATOM 12 CB SER A 2 12.419 -11.727 -14.052 1.00 0.00 C ATOM 13 OG SER A 2 12.476 -13.013 -13.454 1.00 0.00 O ATOM 0 H SER A 2 11.187 -8.969 -13.935 1.00 0.00 H new ATOM 0 HA SER A 2 10.280 -11.710 -14.182 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.594 -11.815 -15.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.216 -11.102 -13.649 1.00 0.00 H new ATOM 0 HG SER A 2 13.351 -13.417 -13.630 1.00 0.00 H new ATOM 19 N MET A 3 10.238 -11.796 -11.657 1.00 0.00 N ATOM 20 CA MET A 3 9.993 -11.712 -10.227 1.00 0.00 C ATOM 21 C MET A 3 10.946 -12.635 -9.476 1.00 0.00 C ATOM 22 O MET A 3 11.506 -13.567 -10.060 1.00 0.00 O ATOM 23 CB MET A 3 8.522 -12.034 -9.909 1.00 0.00 C ATOM 24 CG MET A 3 7.997 -13.320 -10.541 1.00 0.00 C ATOM 25 SD MET A 3 8.644 -14.813 -9.767 1.00 0.00 S ATOM 26 CE MET A 3 7.849 -16.076 -10.754 1.00 0.00 C ATOM 0 H MET A 3 9.902 -12.656 -12.092 1.00 0.00 H new ATOM 0 HA MET A 3 10.183 -10.692 -9.894 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.406 -12.104 -8.827 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.902 -11.202 -10.243 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.909 -13.329 -10.478 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.255 -13.327 -11.600 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.151 -17.061 -10.397 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.767 -15.975 -10.671 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.145 -15.962 -11.797 1.00 0.00 H new ATOM 36 N ALA A 4 11.123 -12.367 -8.188 1.00 0.00 N ATOM 37 CA ALA A 4 12.064 -13.108 -7.351 1.00 0.00 C ATOM 38 C ALA A 4 11.994 -12.598 -5.920 1.00 0.00 C ATOM 39 O ALA A 4 11.907 -13.375 -4.966 1.00 0.00 O ATOM 40 CB ALA A 4 13.487 -12.975 -7.879 1.00 0.00 C ATOM 0 H ALA A 4 10.620 -11.631 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 4 11.787 -14.162 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 4 14.167 -13.536 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.537 -13.370 -8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 4 13.777 -11.924 -7.884 1.00 0.00 H new ATOM 46 N GLU A 5 12.046 -11.284 -5.782 1.00 0.00 N ATOM 47 CA GLU A 5 11.900 -10.640 -4.492 1.00 0.00 C ATOM 48 C GLU A 5 11.081 -9.363 -4.637 1.00 0.00 C ATOM 49 O GLU A 5 11.623 -8.263 -4.747 1.00 0.00 O ATOM 50 CB GLU A 5 13.269 -10.349 -3.862 1.00 0.00 C ATOM 51 CG GLU A 5 14.216 -9.559 -4.755 1.00 0.00 C ATOM 52 CD GLU A 5 15.537 -9.266 -4.079 1.00 0.00 C ATOM 53 OE1 GLU A 5 15.543 -8.541 -3.061 1.00 0.00 O ATOM 54 OE2 GLU A 5 16.580 -9.750 -4.572 1.00 0.00 O ATOM 0 H GLU A 5 12.190 -10.638 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 5 11.370 -11.318 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.119 -9.797 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.742 -11.295 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.397 -10.119 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.742 -8.620 -5.042 1.00 0.00 H new ATOM 61 N GLU A 6 9.768 -9.525 -4.692 1.00 0.00 N ATOM 62 CA GLU A 6 8.869 -8.392 -4.810 1.00 0.00 C ATOM 63 C GLU A 6 9.002 -7.491 -3.593 1.00 0.00 C ATOM 64 O GLU A 6 8.860 -7.945 -2.457 1.00 0.00 O ATOM 65 CB GLU A 6 7.414 -8.850 -4.970 1.00 0.00 C ATOM 66 CG GLU A 6 7.143 -9.637 -6.247 1.00 0.00 C ATOM 67 CD GLU A 6 7.656 -11.062 -6.184 1.00 0.00 C ATOM 68 OE1 GLU A 6 6.941 -11.926 -5.636 1.00 0.00 O ATOM 69 OE2 GLU A 6 8.772 -11.325 -6.678 1.00 0.00 O ATOM 0 H GLU A 6 9.303 -10.432 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 6 9.147 -7.833 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.142 -9.466 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.765 -7.974 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.070 -9.651 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.610 -9.125 -7.089 1.00 0.00 H new ATOM 76 N VAL A 7 9.299 -6.223 -3.836 1.00 0.00 N ATOM 77 CA VAL A 7 9.488 -5.266 -2.759 1.00 0.00 C ATOM 78 C VAL A 7 8.172 -4.971 -2.044 1.00 0.00 C ATOM 79 O VAL A 7 7.362 -4.151 -2.483 1.00 0.00 O ATOM 80 CB VAL A 7 10.136 -3.953 -3.261 1.00 0.00 C ATOM 81 CG1 VAL A 7 11.612 -4.177 -3.556 1.00 0.00 C ATOM 82 CG2 VAL A 7 9.426 -3.423 -4.503 1.00 0.00 C ATOM 0 H VAL A 7 9.414 -5.834 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 7 10.173 -5.724 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 7 10.037 -3.206 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.058 -3.247 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.120 -4.501 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.717 -4.944 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.905 -2.500 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.484 -4.165 -5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.380 -3.225 -4.268 1.00 0.00 H new ATOM 92 N VAL A 8 7.949 -5.686 -0.955 1.00 0.00 N ATOM 93 CA VAL A 8 6.768 -5.481 -0.150 1.00 0.00 C ATOM 94 C VAL A 8 7.015 -4.431 0.912 1.00 0.00 C ATOM 95 O VAL A 8 8.028 -4.444 1.614 1.00 0.00 O ATOM 96 CB VAL A 8 6.279 -6.794 0.496 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.184 -6.529 1.519 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.769 -7.733 -0.578 1.00 0.00 C ATOM 0 H VAL A 8 8.575 -6.414 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 8 5.982 -5.127 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 8 7.120 -7.255 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.859 -7.473 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.569 -5.878 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.338 -6.046 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.425 -8.659 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.942 -7.263 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.573 -7.954 -1.280 1.00 0.00 H new ATOM 108 N VAL A 9 6.084 -3.513 0.995 1.00 0.00 N ATOM 109 CA VAL A 9 6.122 -2.444 1.962 1.00 0.00 C ATOM 110 C VAL A 9 5.084 -2.710 3.039 1.00 0.00 C ATOM 111 O VAL A 9 4.310 -3.664 2.937 1.00 0.00 O ATOM 112 CB VAL A 9 5.844 -1.095 1.286 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.035 -0.683 0.437 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.580 -1.186 0.440 1.00 0.00 C ATOM 0 H VAL A 9 5.267 -3.487 0.384 1.00 0.00 H new ATOM 0 HA VAL A 9 7.115 -2.403 2.410 1.00 0.00 H new ATOM 0 HB VAL A 9 5.690 -0.335 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.828 0.276 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.918 -0.591 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.214 -1.437 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.391 -0.224 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.709 -1.951 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.735 -1.449 1.076 1.00 0.00 H new ATOM 124 N VAL A 10 5.036 -1.876 4.051 1.00 0.00 N ATOM 125 CA VAL A 10 4.094 -2.082 5.131 1.00 0.00 C ATOM 126 C VAL A 10 3.390 -0.772 5.462 1.00 0.00 C ATOM 127 O VAL A 10 3.954 0.308 5.306 1.00 0.00 O ATOM 128 CB VAL A 10 4.793 -2.657 6.393 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.802 -1.668 6.958 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.778 -3.056 7.456 1.00 0.00 C ATOM 0 H VAL A 10 5.632 -1.054 4.151 1.00 0.00 H new ATOM 0 HA VAL A 10 3.355 -2.813 4.803 1.00 0.00 H new ATOM 0 HB VAL A 10 5.330 -3.555 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.276 -2.097 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.561 -1.453 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.292 -0.745 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.300 -3.455 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.197 -2.182 7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.110 -3.817 7.054 1.00 0.00 H new ATOM 140 N ALA A 11 2.150 -0.873 5.885 1.00 0.00 N ATOM 141 CA ALA A 11 1.359 0.287 6.225 1.00 0.00 C ATOM 142 C ALA A 11 1.586 0.696 7.668 1.00 0.00 C ATOM 143 O ALA A 11 1.765 -0.148 8.549 1.00 0.00 O ATOM 144 CB ALA A 11 -0.102 0.000 5.984 1.00 0.00 C ATOM 0 H ALA A 11 1.662 -1.761 6.003 1.00 0.00 H new ATOM 0 HA ALA A 11 1.670 1.115 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.693 0.879 6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.256 -0.245 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.414 -0.842 6.602 1.00 0.00 H new ATOM 150 N LYS A 12 1.549 1.993 7.907 1.00 0.00 N ATOM 151 CA LYS A 12 1.820 2.537 9.223 1.00 0.00 C ATOM 152 C LYS A 12 0.514 2.801 9.963 1.00 0.00 C ATOM 153 O LYS A 12 0.392 2.514 11.156 1.00 0.00 O ATOM 154 CB LYS A 12 2.631 3.822 9.078 1.00 0.00 C ATOM 155 CG LYS A 12 3.394 4.231 10.323 1.00 0.00 C ATOM 156 CD LYS A 12 4.340 5.372 10.011 1.00 0.00 C ATOM 157 CE LYS A 12 5.391 5.540 11.088 1.00 0.00 C ATOM 158 NZ LYS A 12 6.497 6.418 10.629 1.00 0.00 N ATOM 0 H LYS A 12 1.332 2.695 7.199 1.00 0.00 H new ATOM 0 HA LYS A 12 2.396 1.818 9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.339 3.699 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.957 4.632 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.695 4.533 11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.955 3.380 10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.827 5.189 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.773 6.297 9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.934 5.964 11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.790 4.564 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.149 6.597 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.011 5.952 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.106 7.321 10.292 1.00 0.00 H new ATOM 172 N PHE A 13 -0.465 3.332 9.239 1.00 0.00 N ATOM 173 CA PHE A 13 -1.761 3.657 9.816 1.00 0.00 C ATOM 174 C PHE A 13 -2.880 3.314 8.843 1.00 0.00 C ATOM 175 O PHE A 13 -2.689 3.344 7.631 1.00 0.00 O ATOM 176 CB PHE A 13 -1.839 5.144 10.179 1.00 0.00 C ATOM 177 CG PHE A 13 -0.832 5.588 11.205 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.011 5.289 12.547 1.00 0.00 C ATOM 179 CD2 PHE A 13 0.288 6.314 10.827 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.092 5.706 13.491 1.00 0.00 C ATOM 181 CE2 PHE A 13 1.211 6.730 11.769 1.00 0.00 C ATOM 182 CZ PHE A 13 1.022 6.426 13.103 1.00 0.00 C ATOM 0 H PHE A 13 -0.383 3.547 8.245 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.880 3.065 10.723 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.701 5.734 9.273 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.840 5.362 10.552 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.878 4.724 12.858 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.441 6.557 9.786 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.245 5.469 14.534 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.080 7.293 11.461 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.742 6.750 13.840 1.00 0.00 H new ATOM 192 N ASP A 14 -4.029 2.958 9.404 1.00 0.00 N ATOM 193 CA ASP A 14 -5.242 2.668 8.634 1.00 0.00 C ATOM 194 C ASP A 14 -5.544 3.727 7.580 1.00 0.00 C ATOM 195 O ASP A 14 -5.638 4.917 7.884 1.00 0.00 O ATOM 196 CB ASP A 14 -6.458 2.588 9.550 1.00 0.00 C ATOM 197 CG ASP A 14 -6.504 1.351 10.417 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.463 0.697 10.604 1.00 0.00 O ATOM 199 OD2 ASP A 14 -7.592 1.015 10.919 1.00 0.00 O ATOM 0 H ASP A 14 -4.151 2.860 10.412 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.051 1.715 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.473 3.468 10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.361 2.624 8.940 1.00 0.00 H new ATOM 204 N TYR A 15 -5.703 3.282 6.345 1.00 0.00 N ATOM 205 CA TYR A 15 -6.238 4.124 5.286 1.00 0.00 C ATOM 206 C TYR A 15 -7.246 3.333 4.465 1.00 0.00 C ATOM 207 O TYR A 15 -6.883 2.418 3.726 1.00 0.00 O ATOM 208 CB TYR A 15 -5.123 4.671 4.387 1.00 0.00 C ATOM 209 CG TYR A 15 -5.607 5.154 3.034 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.585 6.138 2.923 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.091 4.610 1.864 1.00 0.00 C ATOM 212 CE1 TYR A 15 -7.032 6.564 1.684 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.532 5.031 0.626 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.500 6.007 0.540 1.00 0.00 C ATOM 215 OH TYR A 15 -6.939 6.427 -0.694 1.00 0.00 O ATOM 0 H TYR A 15 -5.467 2.335 6.049 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.736 4.978 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.627 5.495 4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.375 3.892 4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.002 6.576 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.332 3.844 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.792 7.328 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.119 4.597 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.463 5.936 -1.395 1.00 0.00 H new ATOM 225 N VAL A 16 -8.508 3.695 4.590 1.00 0.00 N ATOM 226 CA VAL A 16 -9.556 3.026 3.847 1.00 0.00 C ATOM 227 C VAL A 16 -9.859 3.789 2.567 1.00 0.00 C ATOM 228 O VAL A 16 -10.041 5.009 2.586 1.00 0.00 O ATOM 229 CB VAL A 16 -10.848 2.882 4.679 1.00 0.00 C ATOM 230 CG1 VAL A 16 -11.911 2.113 3.903 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.560 2.211 6.011 1.00 0.00 C ATOM 0 H VAL A 16 -8.831 4.447 5.198 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.197 2.026 3.605 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.234 3.881 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.812 2.025 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.145 2.646 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.537 1.118 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.485 2.120 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.143 1.219 5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.845 2.811 6.574 1.00 0.00 H new ATOM 241 N ALA A 17 -9.906 3.066 1.462 1.00 0.00 N ATOM 242 CA ALA A 17 -10.213 3.654 0.175 1.00 0.00 C ATOM 243 C ALA A 17 -11.688 3.455 -0.139 1.00 0.00 C ATOM 244 O ALA A 17 -12.290 2.471 0.294 1.00 0.00 O ATOM 245 CB ALA A 17 -9.350 3.037 -0.910 1.00 0.00 C ATOM 0 H ALA A 17 -9.733 2.061 1.434 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.999 4.722 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.594 3.490 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.299 3.212 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.537 1.964 -0.957 1.00 0.00 H new ATOM 251 N GLN A 18 -12.273 4.382 -0.872 1.00 0.00 N ATOM 252 CA GLN A 18 -13.687 4.293 -1.202 1.00 0.00 C ATOM 253 C GLN A 18 -13.942 3.328 -2.354 1.00 0.00 C ATOM 254 O GLN A 18 -14.667 2.346 -2.213 1.00 0.00 O ATOM 255 CB GLN A 18 -14.250 5.665 -1.522 1.00 0.00 C ATOM 256 CG GLN A 18 -14.666 6.411 -0.276 1.00 0.00 C ATOM 257 CD GLN A 18 -15.787 5.713 0.473 1.00 0.00 C ATOM 258 OE1 GLN A 18 -16.636 5.000 -0.252 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -15.891 5.823 1.692 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.797 5.201 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.201 3.899 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.502 6.247 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.109 5.559 -2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.805 6.519 0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.987 7.417 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.215 6.382 2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.653 5.355 2.183 1.00 0.00 H new ATOM 268 N GLN A 19 -13.345 3.616 -3.496 1.00 0.00 N ATOM 269 CA GLN A 19 -13.523 2.780 -4.672 1.00 0.00 C ATOM 270 C GLN A 19 -12.258 1.990 -4.980 1.00 0.00 C ATOM 271 O GLN A 19 -11.178 2.318 -4.486 1.00 0.00 O ATOM 272 CB GLN A 19 -13.916 3.629 -5.876 1.00 0.00 C ATOM 273 CG GLN A 19 -15.190 4.429 -5.662 1.00 0.00 C ATOM 274 CD GLN A 19 -15.738 4.996 -6.954 1.00 0.00 C ATOM 275 OE1 GLN A 19 -15.392 6.104 -7.362 1.00 0.00 O ATOM 276 NE2 GLN A 19 -16.590 4.233 -7.615 1.00 0.00 N ATOM 0 H GLN A 19 -12.734 4.420 -3.636 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.325 2.073 -4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.101 4.314 -6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.045 2.980 -6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.943 3.791 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.992 5.244 -4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.852 3.320 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.986 4.557 -8.497 1.00 0.00 H new ATOM 285 N GLU A 20 -12.397 0.968 -5.824 1.00 0.00 N ATOM 286 CA GLU A 20 -11.291 0.067 -6.153 1.00 0.00 C ATOM 287 C GLU A 20 -10.253 0.759 -7.041 1.00 0.00 C ATOM 288 O GLU A 20 -9.226 0.175 -7.381 1.00 0.00 O ATOM 289 CB GLU A 20 -11.815 -1.188 -6.859 1.00 0.00 C ATOM 290 CG GLU A 20 -13.015 -1.823 -6.179 1.00 0.00 C ATOM 291 CD GLU A 20 -13.647 -2.900 -7.033 1.00 0.00 C ATOM 292 OE1 GLU A 20 -12.965 -3.894 -7.339 1.00 0.00 O ATOM 293 OE2 GLU A 20 -14.816 -2.746 -7.429 1.00 0.00 O ATOM 0 H GLU A 20 -13.272 0.742 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.810 -0.218 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.085 -0.930 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.012 -1.923 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.707 -2.251 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.756 -1.054 -5.959 1.00 0.00 H new ATOM 300 N GLN A 21 -10.539 2.000 -7.429 1.00 0.00 N ATOM 301 CA GLN A 21 -9.607 2.793 -8.223 1.00 0.00 C ATOM 302 C GLN A 21 -8.388 3.176 -7.391 1.00 0.00 C ATOM 303 O GLN A 21 -7.330 3.486 -7.931 1.00 0.00 O ATOM 304 CB GLN A 21 -10.287 4.058 -8.750 1.00 0.00 C ATOM 305 CG GLN A 21 -10.861 4.944 -7.655 1.00 0.00 C ATOM 306 CD GLN A 21 -11.249 6.319 -8.160 1.00 0.00 C ATOM 307 OE1 GLN A 21 -10.436 7.241 -8.149 1.00 0.00 O ATOM 308 NE2 GLN A 21 -12.480 6.469 -8.626 1.00 0.00 N ATOM 0 H GLN A 21 -11.412 2.478 -7.205 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.285 2.186 -9.069 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.565 4.633 -9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.088 3.772 -9.432 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.737 4.460 -7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.127 5.048 -6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.127 5.681 -8.619 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.780 7.373 -8.992 1.00 0.00 H new ATOM 317 N GLU A 22 -8.556 3.147 -6.076 1.00 0.00 N ATOM 318 CA GLU A 22 -7.480 3.468 -5.155 1.00 0.00 C ATOM 319 C GLU A 22 -7.061 2.219 -4.392 1.00 0.00 C ATOM 320 O GLU A 22 -7.657 1.155 -4.556 1.00 0.00 O ATOM 321 CB GLU A 22 -7.928 4.557 -4.176 1.00 0.00 C ATOM 322 CG GLU A 22 -8.209 5.895 -4.839 1.00 0.00 C ATOM 323 CD GLU A 22 -6.944 6.658 -5.204 1.00 0.00 C ATOM 324 OE1 GLU A 22 -6.114 6.128 -5.976 1.00 0.00 O ATOM 325 OE2 GLU A 22 -6.780 7.799 -4.713 1.00 0.00 O ATOM 0 H GLU A 22 -9.436 2.902 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.628 3.839 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.827 4.221 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.156 4.692 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.799 5.730 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.814 6.506 -4.169 1.00 0.00 H new ATOM 332 N LEU A 23 -6.043 2.346 -3.558 1.00 0.00 N ATOM 333 CA LEU A 23 -5.560 1.212 -2.790 1.00 0.00 C ATOM 334 C LEU A 23 -6.016 1.348 -1.340 1.00 0.00 C ATOM 335 O LEU A 23 -5.821 2.394 -0.727 1.00 0.00 O ATOM 336 CB LEU A 23 -4.030 1.155 -2.861 1.00 0.00 C ATOM 337 CG LEU A 23 -3.409 -0.241 -2.733 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.411 -0.718 -1.293 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.152 -1.231 -3.607 1.00 0.00 C ATOM 0 H LEU A 23 -5.538 3.217 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.966 0.290 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.712 1.588 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.624 1.787 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.373 -0.175 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.964 -1.711 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.834 -0.026 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.436 -0.761 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.699 -2.217 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.196 -1.277 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.096 -0.912 -4.648 1.00 0.00 H new ATOM 351 N ASP A 24 -6.624 0.307 -0.790 1.00 0.00 N ATOM 352 CA ASP A 24 -7.050 0.344 0.602 1.00 0.00 C ATOM 353 C ASP A 24 -6.034 -0.388 1.469 1.00 0.00 C ATOM 354 O ASP A 24 -5.549 -1.463 1.105 1.00 0.00 O ATOM 355 CB ASP A 24 -8.452 -0.259 0.772 1.00 0.00 C ATOM 356 CG ASP A 24 -8.463 -1.777 0.766 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.239 -2.375 -0.307 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.710 -2.370 1.843 1.00 0.00 O ATOM 0 H ASP A 24 -6.832 -0.564 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.104 1.385 0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.880 0.096 1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.095 0.104 -0.030 1.00 0.00 H new ATOM 363 N ILE A 25 -5.680 0.209 2.599 1.00 0.00 N ATOM 364 CA ILE A 25 -4.669 -0.368 3.468 1.00 0.00 C ATOM 365 C ILE A 25 -5.127 -0.357 4.926 1.00 0.00 C ATOM 366 O ILE A 25 -6.190 0.170 5.252 1.00 0.00 O ATOM 367 CB ILE A 25 -3.304 0.361 3.336 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.365 1.793 3.870 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.841 0.385 1.885 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.281 2.089 4.868 1.00 0.00 C ATOM 0 H ILE A 25 -6.077 1.088 2.932 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.531 -1.401 3.148 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.589 -0.200 3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.285 2.491 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.336 1.962 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.883 0.901 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.730 -0.637 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.578 0.908 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.374 3.119 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.374 1.413 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.307 1.950 4.399 1.00 0.00 H new ATOM 382 N LYS A 26 -4.322 -0.946 5.793 1.00 0.00 N ATOM 383 CA LYS A 26 -4.645 -1.054 7.208 1.00 0.00 C ATOM 384 C LYS A 26 -3.360 -0.895 8.012 1.00 0.00 C ATOM 385 O LYS A 26 -2.290 -1.202 7.502 1.00 0.00 O ATOM 386 CB LYS A 26 -5.274 -2.429 7.485 1.00 0.00 C ATOM 387 CG LYS A 26 -5.798 -2.618 8.903 1.00 0.00 C ATOM 388 CD LYS A 26 -7.117 -1.894 9.116 1.00 0.00 C ATOM 389 CE LYS A 26 -7.663 -2.123 10.519 1.00 0.00 C ATOM 390 NZ LYS A 26 -6.771 -1.543 11.556 1.00 0.00 N ATOM 0 H LYS A 26 -3.427 -1.363 5.538 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.355 -0.279 7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.095 -2.585 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.531 -3.200 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.930 -3.681 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.061 -2.248 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.977 -0.826 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.845 -2.239 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.654 -1.678 10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.778 -3.193 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.298 -2.310 12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.055 -0.941 11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.334 -0.972 12.218 1.00 0.00 H new ATOM 404 N LYS A 27 -3.450 -0.399 9.239 1.00 0.00 N ATOM 405 CA LYS A 27 -2.275 -0.299 10.096 1.00 0.00 C ATOM 406 C LYS A 27 -1.605 -1.661 10.231 1.00 0.00 C ATOM 407 O LYS A 27 -2.262 -2.646 10.573 1.00 0.00 O ATOM 408 CB LYS A 27 -2.659 0.231 11.479 1.00 0.00 C ATOM 409 CG LYS A 27 -1.515 0.219 12.482 1.00 0.00 C ATOM 410 CD LYS A 27 -1.991 0.588 13.876 1.00 0.00 C ATOM 411 CE LYS A 27 -0.888 0.420 14.906 1.00 0.00 C ATOM 412 NZ LYS A 27 0.237 1.373 14.699 1.00 0.00 N ATOM 0 H LYS A 27 -4.316 -0.062 9.661 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.575 0.399 9.637 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.029 1.251 11.377 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.480 -0.368 11.872 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.059 -0.771 12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.743 0.919 12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.340 1.621 13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.842 -0.037 14.148 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.302 0.564 15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.508 -0.601 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.939 1.252 15.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.685 1.187 13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.126 2.347 14.716 1.00 0.00 H new ATOM 426 N ASN A 28 -0.309 -1.699 9.928 1.00 0.00 N ATOM 427 CA ASN A 28 0.504 -2.916 10.053 1.00 0.00 C ATOM 428 C ASN A 28 0.146 -3.922 8.947 1.00 0.00 C ATOM 429 O ASN A 28 0.405 -5.118 9.071 1.00 0.00 O ATOM 430 CB ASN A 28 0.317 -3.537 11.454 1.00 0.00 C ATOM 431 CG ASN A 28 1.503 -4.362 11.945 1.00 0.00 C ATOM 432 OD1 ASN A 28 1.810 -4.358 13.137 1.00 0.00 O ATOM 433 ND2 ASN A 28 2.156 -5.096 11.059 1.00 0.00 N ATOM 0 H ASN A 28 0.211 -0.890 9.589 1.00 0.00 H new ATOM 0 HA ASN A 28 1.555 -2.652 9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.126 -2.737 12.169 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.570 -4.171 11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.938 -5.680 11.357 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.878 -5.078 10.078 1.00 0.00 H new ATOM 440 N GLU A 29 -0.426 -3.431 7.850 1.00 0.00 N ATOM 441 CA GLU A 29 -0.757 -4.290 6.717 1.00 0.00 C ATOM 442 C GLU A 29 0.348 -4.204 5.668 1.00 0.00 C ATOM 443 O GLU A 29 1.005 -3.177 5.542 1.00 0.00 O ATOM 444 CB GLU A 29 -2.098 -3.871 6.109 1.00 0.00 C ATOM 445 CG GLU A 29 -2.676 -4.878 5.133 1.00 0.00 C ATOM 446 CD GLU A 29 -2.951 -6.214 5.790 1.00 0.00 C ATOM 447 OE1 GLU A 29 -4.062 -6.399 6.331 1.00 0.00 O ATOM 448 OE2 GLU A 29 -2.053 -7.081 5.769 1.00 0.00 O ATOM 0 H GLU A 29 -0.669 -2.449 7.722 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.841 -5.320 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.815 -3.708 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.971 -2.917 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.601 -4.484 4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.982 -5.018 4.304 1.00 0.00 H new ATOM 455 N ARG A 30 0.559 -5.276 4.926 1.00 0.00 N ATOM 456 CA ARG A 30 1.621 -5.313 3.927 1.00 0.00 C ATOM 457 C ARG A 30 1.073 -4.978 2.541 1.00 0.00 C ATOM 458 O ARG A 30 0.012 -5.470 2.152 1.00 0.00 O ATOM 459 CB ARG A 30 2.259 -6.698 3.896 1.00 0.00 C ATOM 460 CG ARG A 30 1.325 -7.758 3.345 1.00 0.00 C ATOM 461 CD ARG A 30 1.072 -8.867 4.348 1.00 0.00 C ATOM 462 NE ARG A 30 0.247 -8.401 5.462 1.00 0.00 N ATOM 463 CZ ARG A 30 0.644 -8.360 6.731 1.00 0.00 C ATOM 464 NH1 ARG A 30 1.830 -8.832 7.088 1.00 0.00 N ATOM 465 NH2 ARG A 30 -0.166 -7.850 7.646 1.00 0.00 N ATOM 0 H ARG A 30 0.011 -6.134 4.993 1.00 0.00 H new ATOM 0 HA ARG A 30 2.370 -4.570 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.163 -6.664 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.564 -6.976 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.377 -7.297 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.753 -8.181 2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.578 -9.702 3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.023 -9.239 4.729 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.700 -8.085 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.452 -9.233 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.121 -8.794 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.083 -7.494 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.127 -7.813 8.622 1.00 0.00 H new ATOM 479 N LEU A 31 1.798 -4.154 1.797 1.00 0.00 N ATOM 480 CA LEU A 31 1.399 -3.799 0.440 1.00 0.00 C ATOM 481 C LEU A 31 2.562 -4.026 -0.524 1.00 0.00 C ATOM 482 O LEU A 31 3.698 -4.206 -0.101 1.00 0.00 O ATOM 483 CB LEU A 31 0.933 -2.335 0.341 1.00 0.00 C ATOM 484 CG LEU A 31 -0.284 -1.937 1.187 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.331 -3.039 1.190 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.135 -1.564 2.603 1.00 0.00 C ATOM 0 H LEU A 31 2.666 -3.718 2.109 1.00 0.00 H new ATOM 0 HA LEU A 31 0.559 -4.440 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.767 -1.693 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.705 -2.121 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.736 -1.055 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.182 -2.730 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.663 -3.228 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.900 -3.949 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.746 -1.286 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.624 -2.416 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.827 -0.722 2.568 1.00 0.00 H new ATOM 498 N TRP A 32 2.271 -4.014 -1.813 1.00 0.00 N ATOM 499 CA TRP A 32 3.304 -4.149 -2.837 1.00 0.00 C ATOM 500 C TRP A 32 3.568 -2.797 -3.474 1.00 0.00 C ATOM 501 O TRP A 32 2.656 -2.182 -4.019 1.00 0.00 O ATOM 502 CB TRP A 32 2.882 -5.154 -3.920 1.00 0.00 C ATOM 503 CG TRP A 32 2.975 -6.596 -3.511 1.00 0.00 C ATOM 504 CD1 TRP A 32 3.902 -7.500 -3.938 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.112 -7.304 -2.606 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.667 -8.726 -3.366 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.577 -8.631 -2.541 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.994 -6.948 -1.848 1.00 0.00 C ATOM 509 CZ2 TRP A 32 1.963 -9.599 -1.748 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.386 -7.909 -1.061 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.871 -9.221 -1.014 1.00 0.00 C ATOM 0 H TRP A 32 1.325 -3.912 -2.181 1.00 0.00 H new ATOM 0 HA TRP A 32 4.212 -4.519 -2.361 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.855 -4.940 -4.214 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.505 -5.000 -4.801 1.00 0.00 H new ATOM 0 HD1 TRP A 32 4.705 -7.283 -4.627 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.215 -9.571 -3.529 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.611 -5.939 -1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.336 -10.612 -1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.479 -7.642 -0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.375 -9.948 -0.388 1.00 0.00 H new ATOM 522 N LEU A 33 4.804 -2.335 -3.404 1.00 0.00 N ATOM 523 CA LEU A 33 5.141 -1.014 -3.909 1.00 0.00 C ATOM 524 C LEU A 33 5.686 -1.090 -5.329 1.00 0.00 C ATOM 525 O LEU A 33 6.706 -1.726 -5.585 1.00 0.00 O ATOM 526 CB LEU A 33 6.141 -0.331 -2.977 1.00 0.00 C ATOM 527 CG LEU A 33 6.530 1.096 -3.373 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.291 1.960 -3.533 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.452 1.704 -2.331 1.00 0.00 C ATOM 0 H LEU A 33 5.588 -2.851 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 33 4.230 -0.417 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.721 -0.310 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.045 -0.938 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 33 7.056 1.054 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.586 2.971 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.652 1.539 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.745 1.991 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.719 2.718 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.944 1.730 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.356 1.101 -2.249 1.00 0.00 H new ATOM 541 N LEU A 34 4.988 -0.444 -6.250 1.00 0.00 N ATOM 542 CA LEU A 34 5.390 -0.454 -7.645 1.00 0.00 C ATOM 543 C LEU A 34 6.157 0.817 -7.982 1.00 0.00 C ATOM 544 O LEU A 34 7.215 0.768 -8.610 1.00 0.00 O ATOM 545 CB LEU A 34 4.174 -0.588 -8.576 1.00 0.00 C ATOM 546 CG LEU A 34 3.292 -1.827 -8.370 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.139 -3.067 -8.121 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.303 -1.607 -7.238 1.00 0.00 C ATOM 0 H LEU A 34 4.142 0.092 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 34 6.036 -1.318 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.552 0.299 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.530 -0.589 -9.606 1.00 0.00 H new ATOM 0 HG LEU A 34 2.724 -1.990 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.488 -3.930 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.790 -3.241 -8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.746 -2.919 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.690 -2.499 -7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.846 -1.406 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.663 -0.757 -7.474 1.00 0.00 H new ATOM 560 N ASP A 35 5.629 1.954 -7.544 1.00 0.00 N ATOM 561 CA ASP A 35 6.239 3.241 -7.850 1.00 0.00 C ATOM 562 C ASP A 35 6.092 4.205 -6.683 1.00 0.00 C ATOM 563 O ASP A 35 5.081 4.196 -5.980 1.00 0.00 O ATOM 564 CB ASP A 35 5.614 3.852 -9.106 1.00 0.00 C ATOM 565 CG ASP A 35 6.265 5.166 -9.488 1.00 0.00 C ATOM 566 OD1 ASP A 35 7.320 5.136 -10.154 1.00 0.00 O ATOM 567 OD2 ASP A 35 5.721 6.230 -9.123 1.00 0.00 O ATOM 0 H ASP A 35 4.783 2.010 -6.978 1.00 0.00 H new ATOM 0 HA ASP A 35 7.300 3.069 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.705 3.149 -9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.549 4.011 -8.939 1.00 0.00 H new ATOM 572 N ASP A 36 7.114 5.023 -6.477 1.00 0.00 N ATOM 573 CA ASP A 36 7.105 6.024 -5.418 1.00 0.00 C ATOM 574 C ASP A 36 7.662 7.343 -5.949 1.00 0.00 C ATOM 575 O ASP A 36 8.262 8.123 -5.209 1.00 0.00 O ATOM 576 CB ASP A 36 7.931 5.535 -4.211 1.00 0.00 C ATOM 577 CG ASP A 36 9.430 5.485 -4.472 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.847 4.933 -5.515 1.00 0.00 O ATOM 579 OD2 ASP A 36 10.203 5.983 -3.621 1.00 0.00 O ATOM 0 H ASP A 36 7.968 5.013 -7.035 1.00 0.00 H new ATOM 0 HA ASP A 36 6.078 6.183 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.741 6.192 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.588 4.540 -3.927 1.00 0.00 H new ATOM 584 N SER A 37 7.428 7.606 -7.230 1.00 0.00 N ATOM 585 CA SER A 37 8.041 8.747 -7.897 1.00 0.00 C ATOM 586 C SER A 37 7.606 10.078 -7.275 1.00 0.00 C ATOM 587 O SER A 37 8.456 10.902 -6.937 1.00 0.00 O ATOM 588 CB SER A 37 7.706 8.723 -9.393 1.00 0.00 C ATOM 589 OG SER A 37 8.374 9.763 -10.092 1.00 0.00 O ATOM 0 H SER A 37 6.819 7.045 -7.826 1.00 0.00 H new ATOM 0 HA SER A 37 9.120 8.665 -7.766 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.989 7.759 -9.815 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.629 8.826 -9.528 1.00 0.00 H new ATOM 0 HG SER A 37 8.141 9.720 -11.043 1.00 0.00 H new ATOM 595 N LYS A 38 6.296 10.264 -7.091 1.00 0.00 N ATOM 596 CA LYS A 38 5.748 11.516 -6.552 1.00 0.00 C ATOM 597 C LYS A 38 4.241 11.414 -6.350 1.00 0.00 C ATOM 598 O LYS A 38 3.594 10.543 -6.929 1.00 0.00 O ATOM 599 CB LYS A 38 6.042 12.705 -7.479 1.00 0.00 C ATOM 600 CG LYS A 38 7.207 13.570 -7.021 1.00 0.00 C ATOM 601 CD LYS A 38 7.435 14.761 -7.940 1.00 0.00 C ATOM 602 CE LYS A 38 6.244 15.710 -7.956 1.00 0.00 C ATOM 603 NZ LYS A 38 5.447 15.588 -9.206 1.00 0.00 N ATOM 0 H LYS A 38 5.590 9.560 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 38 6.235 11.682 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.253 12.329 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.149 13.325 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.017 13.926 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.113 12.965 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.324 15.302 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.628 14.405 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.605 15.503 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.597 16.736 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.647 16.252 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.049 15.811 -10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.087 14.616 -9.295 1.00 0.00 H new ATOM 617 N SER A 39 3.705 12.326 -5.536 1.00 0.00 N ATOM 618 CA SER A 39 2.267 12.417 -5.274 1.00 0.00 C ATOM 619 C SER A 39 1.707 11.104 -4.723 1.00 0.00 C ATOM 620 O SER A 39 1.118 10.310 -5.463 1.00 0.00 O ATOM 621 CB SER A 39 1.522 12.829 -6.547 1.00 0.00 C ATOM 622 OG SER A 39 2.129 13.965 -7.143 1.00 0.00 O ATOM 0 H SER A 39 4.258 13.024 -5.039 1.00 0.00 H new ATOM 0 HA SER A 39 2.115 13.181 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.518 12.000 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.482 13.050 -6.309 1.00 0.00 H new ATOM 0 HG SER A 39 1.638 14.210 -7.955 1.00 0.00 H new ATOM 628 N TRP A 40 1.902 10.893 -3.418 1.00 0.00 N ATOM 629 CA TRP A 40 1.508 9.652 -2.753 1.00 0.00 C ATOM 630 C TRP A 40 2.330 8.484 -3.287 1.00 0.00 C ATOM 631 O TRP A 40 3.262 8.679 -4.073 1.00 0.00 O ATOM 632 CB TRP A 40 0.007 9.377 -2.922 1.00 0.00 C ATOM 633 CG TRP A 40 -0.868 10.283 -2.105 1.00 0.00 C ATOM 634 CD1 TRP A 40 -0.495 11.033 -1.025 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.269 10.518 -2.292 1.00 0.00 C ATOM 636 NE1 TRP A 40 -1.576 11.723 -0.533 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.676 11.424 -1.293 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.220 10.054 -3.207 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.991 11.874 -1.186 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.524 10.499 -3.099 1.00 0.00 C ATOM 641 CH2 TRP A 40 -4.898 11.402 -2.096 1.00 0.00 C ATOM 0 H TRP A 40 2.336 11.576 -2.797 1.00 0.00 H new ATOM 0 HA TRP A 40 1.705 9.764 -1.687 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.257 9.484 -3.974 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.197 8.343 -2.645 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.504 11.077 -0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.562 12.355 0.268 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.940 9.359 -3.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.283 12.570 -0.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.266 10.145 -3.799 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.924 11.733 -2.039 1.00 0.00 H new ATOM 652 N TRP A 41 2.016 7.280 -2.842 1.00 0.00 N ATOM 653 CA TRP A 41 2.723 6.101 -3.313 1.00 0.00 C ATOM 654 C TRP A 41 1.786 5.146 -4.042 1.00 0.00 C ATOM 655 O TRP A 41 0.617 4.997 -3.686 1.00 0.00 O ATOM 656 CB TRP A 41 3.441 5.393 -2.160 1.00 0.00 C ATOM 657 CG TRP A 41 4.660 6.136 -1.696 1.00 0.00 C ATOM 658 CD1 TRP A 41 5.334 7.105 -2.380 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.357 5.965 -0.459 1.00 0.00 C ATOM 660 NE1 TRP A 41 6.397 7.552 -1.641 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.436 6.869 -0.461 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.173 5.142 0.652 1.00 0.00 C ATOM 663 CZ2 TRP A 41 7.324 6.971 0.601 1.00 0.00 C ATOM 664 CZ3 TRP A 41 6.057 5.243 1.706 1.00 0.00 C ATOM 665 CH2 TRP A 41 7.122 6.153 1.674 1.00 0.00 C ATOM 0 H TRP A 41 1.281 7.093 -2.160 1.00 0.00 H new ATOM 0 HA TRP A 41 3.478 6.432 -4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.751 5.276 -1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.730 4.391 -2.477 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.068 7.467 -3.362 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.054 8.278 -1.927 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.354 4.439 0.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.145 7.672 0.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.926 4.610 2.571 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.797 6.208 2.516 1.00 0.00 H new ATOM 676 N ARG A 42 2.324 4.514 -5.068 1.00 0.00 N ATOM 677 CA ARG A 42 1.564 3.645 -5.952 1.00 0.00 C ATOM 678 C ARG A 42 1.775 2.180 -5.578 1.00 0.00 C ATOM 679 O ARG A 42 2.840 1.604 -5.834 1.00 0.00 O ATOM 680 CB ARG A 42 2.007 3.931 -7.386 1.00 0.00 C ATOM 681 CG ARG A 42 1.462 2.990 -8.442 1.00 0.00 C ATOM 682 CD ARG A 42 1.913 3.448 -9.819 1.00 0.00 C ATOM 683 NE ARG A 42 1.721 2.434 -10.851 1.00 0.00 N ATOM 684 CZ ARG A 42 1.931 2.654 -12.148 1.00 0.00 C ATOM 685 NH1 ARG A 42 2.297 3.862 -12.575 1.00 0.00 N ATOM 686 NH2 ARG A 42 1.781 1.666 -13.015 1.00 0.00 N ATOM 0 H ARG A 42 3.311 4.589 -5.315 1.00 0.00 H new ATOM 0 HA ARG A 42 0.496 3.841 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.709 4.948 -7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.096 3.899 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.811 1.975 -8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.373 2.966 -8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.362 4.347 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.968 3.720 -9.777 1.00 0.00 H new ATOM 0 HE ARG A 42 1.409 1.506 -10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.418 4.624 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.456 4.025 -13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.505 0.739 -12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.941 1.831 -14.009 1.00 0.00 H new ATOM 700 N VAL A 43 0.761 1.583 -4.962 1.00 0.00 N ATOM 701 CA VAL A 43 0.880 0.233 -4.428 1.00 0.00 C ATOM 702 C VAL A 43 -0.253 -0.677 -4.887 1.00 0.00 C ATOM 703 O VAL A 43 -1.246 -0.226 -5.455 1.00 0.00 O ATOM 704 CB VAL A 43 0.913 0.234 -2.887 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.253 0.727 -2.369 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.211 1.088 -2.339 1.00 0.00 C ATOM 0 H VAL A 43 -0.153 2.014 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 43 1.822 -0.154 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 43 0.776 -0.792 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.248 0.717 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.046 0.075 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.428 1.743 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.176 1.080 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.099 2.111 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.168 0.689 -2.674 1.00 0.00 H new ATOM 716 N ARG A 44 -0.075 -1.965 -4.625 1.00 0.00 N ATOM 717 CA ARG A 44 -1.045 -2.991 -4.975 1.00 0.00 C ATOM 718 C ARG A 44 -1.148 -3.973 -3.808 1.00 0.00 C ATOM 719 O ARG A 44 -0.138 -4.530 -3.385 1.00 0.00 O ATOM 720 CB ARG A 44 -0.585 -3.702 -6.263 1.00 0.00 C ATOM 721 CG ARG A 44 -1.612 -4.627 -6.911 1.00 0.00 C ATOM 722 CD ARG A 44 -1.677 -5.993 -6.252 1.00 0.00 C ATOM 723 NE ARG A 44 -0.360 -6.614 -6.069 1.00 0.00 N ATOM 724 CZ ARG A 44 -0.078 -7.881 -6.392 1.00 0.00 C ATOM 725 NH1 ARG A 44 -0.963 -8.614 -7.064 1.00 0.00 N ATOM 726 NH2 ARG A 44 1.099 -8.405 -6.060 1.00 0.00 N ATOM 0 H ARG A 44 0.756 -2.329 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.027 -2.555 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.295 -2.944 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.308 -4.284 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.595 -4.159 -6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.368 -4.750 -7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.164 -5.897 -5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.300 -6.651 -6.857 1.00 0.00 H new ATOM 0 HE ARG A 44 0.386 -6.044 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.860 -8.210 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.744 -9.580 -7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.786 -7.841 -5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.315 -9.371 -6.306 1.00 0.00 H new ATOM 740 N ASN A 45 -2.349 -4.167 -3.275 1.00 0.00 N ATOM 741 CA ASN A 45 -2.529 -5.037 -2.111 1.00 0.00 C ATOM 742 C ASN A 45 -2.879 -6.465 -2.532 1.00 0.00 C ATOM 743 O ASN A 45 -2.951 -6.771 -3.718 1.00 0.00 O ATOM 744 CB ASN A 45 -3.604 -4.485 -1.154 1.00 0.00 C ATOM 745 CG ASN A 45 -4.974 -4.295 -1.790 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.321 -4.940 -2.778 1.00 0.00 O ATOM 747 ND2 ASN A 45 -5.775 -3.420 -1.197 1.00 0.00 N ATOM 0 H ASN A 45 -3.207 -3.740 -3.624 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.578 -5.059 -1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.701 -5.163 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.264 -3.528 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.716 -3.263 -1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.450 -2.904 -0.379 1.00 0.00 H new ATOM 754 N SER A 46 -3.116 -7.329 -1.548 1.00 0.00 N ATOM 755 CA SER A 46 -3.390 -8.745 -1.804 1.00 0.00 C ATOM 756 C SER A 46 -4.722 -8.940 -2.531 1.00 0.00 C ATOM 757 O SER A 46 -4.988 -10.003 -3.083 1.00 0.00 O ATOM 758 CB SER A 46 -3.385 -9.527 -0.482 1.00 0.00 C ATOM 759 OG SER A 46 -3.527 -10.921 -0.703 1.00 0.00 O ATOM 0 H SER A 46 -3.124 -7.074 -0.560 1.00 0.00 H new ATOM 0 HA SER A 46 -2.602 -9.127 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.454 -9.335 0.052 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.196 -9.174 0.154 1.00 0.00 H new ATOM 0 HG SER A 46 -3.519 -11.391 0.157 1.00 0.00 H new ATOM 765 N MET A 47 -5.544 -7.899 -2.551 1.00 0.00 N ATOM 766 CA MET A 47 -6.847 -7.963 -3.198 1.00 0.00 C ATOM 767 C MET A 47 -6.713 -7.607 -4.679 1.00 0.00 C ATOM 768 O MET A 47 -7.707 -7.417 -5.382 1.00 0.00 O ATOM 769 CB MET A 47 -7.821 -7.015 -2.483 1.00 0.00 C ATOM 770 CG MET A 47 -9.266 -7.121 -2.952 1.00 0.00 C ATOM 771 SD MET A 47 -10.394 -6.122 -1.962 1.00 0.00 S ATOM 772 CE MET A 47 -9.992 -6.701 -0.315 1.00 0.00 C ATOM 0 H MET A 47 -5.330 -6.997 -2.125 1.00 0.00 H new ATOM 0 HA MET A 47 -7.242 -8.977 -3.131 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.784 -7.217 -1.412 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.480 -5.989 -2.626 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.329 -6.808 -3.994 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.581 -8.164 -2.913 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.864 -6.595 0.331 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.699 -7.750 -0.359 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.168 -6.111 0.087 1.00 0.00 H new ATOM 782 N ASN A 48 -5.462 -7.515 -5.137 1.00 0.00 N ATOM 783 CA ASN A 48 -5.142 -7.308 -6.553 1.00 0.00 C ATOM 784 C ASN A 48 -5.578 -5.930 -7.026 1.00 0.00 C ATOM 785 O ASN A 48 -5.627 -5.659 -8.225 1.00 0.00 O ATOM 786 CB ASN A 48 -5.790 -8.395 -7.423 1.00 0.00 C ATOM 787 CG ASN A 48 -5.321 -9.788 -7.054 1.00 0.00 C ATOM 788 OD1 ASN A 48 -4.350 -10.302 -7.614 1.00 0.00 O ATOM 789 ND2 ASN A 48 -6.015 -10.418 -6.119 1.00 0.00 N ATOM 0 H ASN A 48 -4.641 -7.582 -4.536 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.059 -7.375 -6.656 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.874 -8.341 -7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.559 -8.203 -8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.752 -11.363 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.812 -9.959 -5.679 1.00 0.00 H new ATOM 796 N LYS A 49 -5.886 -5.055 -6.079 1.00 0.00 N ATOM 797 CA LYS A 49 -6.280 -3.697 -6.406 1.00 0.00 C ATOM 798 C LYS A 49 -5.048 -2.818 -6.509 1.00 0.00 C ATOM 799 O LYS A 49 -4.001 -3.150 -5.959 1.00 0.00 O ATOM 800 CB LYS A 49 -7.220 -3.125 -5.341 1.00 0.00 C ATOM 801 CG LYS A 49 -8.347 -4.058 -4.936 1.00 0.00 C ATOM 802 CD LYS A 49 -9.276 -4.379 -6.098 1.00 0.00 C ATOM 803 CE LYS A 49 -10.356 -5.361 -5.672 1.00 0.00 C ATOM 804 NZ LYS A 49 -11.269 -5.723 -6.786 1.00 0.00 N ATOM 0 H LYS A 49 -5.870 -5.263 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.806 -3.716 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.636 -2.873 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.650 -2.195 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.926 -4.984 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.921 -3.602 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.737 -3.462 -6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.701 -4.799 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.887 -6.265 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.936 -4.927 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.792 -6.587 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.941 -4.946 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.714 -5.889 -7.650 1.00 0.00 H new ATOM 818 N THR A 50 -5.164 -1.706 -7.211 1.00 0.00 N ATOM 819 CA THR A 50 -4.070 -0.758 -7.308 1.00 0.00 C ATOM 820 C THR A 50 -4.589 0.666 -7.158 1.00 0.00 C ATOM 821 O THR A 50 -5.746 0.948 -7.472 1.00 0.00 O ATOM 822 CB THR A 50 -3.327 -0.886 -8.650 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.168 -2.270 -8.996 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.958 -0.229 -8.567 1.00 0.00 C ATOM 0 H THR A 50 -6.005 -1.437 -7.722 1.00 0.00 H new ATOM 0 HA THR A 50 -3.372 -0.984 -6.502 1.00 0.00 H new ATOM 0 HB THR A 50 -3.918 -0.384 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.696 -2.341 -9.852 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.448 -0.329 -9.525 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.076 0.828 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.368 -0.714 -7.789 1.00 0.00 H new ATOM 832 N GLY A 51 -3.731 1.549 -6.684 1.00 0.00 N ATOM 833 CA GLY A 51 -4.112 2.927 -6.475 1.00 0.00 C ATOM 834 C GLY A 51 -3.033 3.699 -5.748 1.00 0.00 C ATOM 835 O GLY A 51 -1.933 3.181 -5.544 1.00 0.00 O ATOM 0 H GLY A 51 -2.765 1.333 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.313 3.399 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.038 2.966 -5.901 1.00 0.00 H new ATOM 839 N PHE A 52 -3.337 4.930 -5.357 1.00 0.00 N ATOM 840 CA PHE A 52 -2.379 5.765 -4.650 1.00 0.00 C ATOM 841 C PHE A 52 -2.736 5.847 -3.177 1.00 0.00 C ATOM 842 O PHE A 52 -3.896 6.044 -2.816 1.00 0.00 O ATOM 843 CB PHE A 52 -2.323 7.167 -5.262 1.00 0.00 C ATOM 844 CG PHE A 52 -1.662 7.205 -6.605 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.284 7.303 -6.703 1.00 0.00 C ATOM 846 CD2 PHE A 52 -2.411 7.148 -7.767 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.335 7.342 -7.935 1.00 0.00 C ATOM 848 CE2 PHE A 52 -1.799 7.188 -9.004 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.423 7.286 -9.087 1.00 0.00 C ATOM 0 H PHE A 52 -4.242 5.372 -5.519 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.393 5.310 -4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.337 7.556 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.787 7.830 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.313 7.349 -5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.487 7.071 -7.706 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.411 7.416 -7.998 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.394 7.143 -9.904 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.059 7.319 -10.053 1.00 0.00 H new ATOM 859 N VAL A 53 -1.734 5.662 -2.336 1.00 0.00 N ATOM 860 CA VAL A 53 -1.918 5.728 -0.897 1.00 0.00 C ATOM 861 C VAL A 53 -1.110 6.869 -0.291 1.00 0.00 C ATOM 862 O VAL A 53 -0.008 7.172 -0.752 1.00 0.00 O ATOM 863 CB VAL A 53 -1.521 4.407 -0.199 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.472 3.289 -0.580 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.087 4.022 -0.531 1.00 0.00 C ATOM 0 H VAL A 53 -0.777 5.463 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.981 5.904 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.589 4.566 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.173 2.370 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.485 3.555 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.443 3.138 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.165 3.089 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.014 3.891 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.588 4.810 -0.196 1.00 0.00 H new ATOM 875 N PRO A 54 -1.663 7.519 0.747 1.00 0.00 N ATOM 876 CA PRO A 54 -0.998 8.607 1.469 1.00 0.00 C ATOM 877 C PRO A 54 0.348 8.176 2.037 1.00 0.00 C ATOM 878 O PRO A 54 0.436 7.202 2.790 1.00 0.00 O ATOM 879 CB PRO A 54 -1.981 8.941 2.605 1.00 0.00 C ATOM 880 CG PRO A 54 -2.878 7.753 2.696 1.00 0.00 C ATOM 881 CD PRO A 54 -2.992 7.241 1.297 1.00 0.00 C ATOM 0 HA PRO A 54 -0.779 9.455 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.456 9.113 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.546 9.847 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.462 6.995 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.854 8.026 3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.227 6.177 1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.777 7.753 0.740 1.00 0.00 H new ATOM 889 N SER A 55 1.384 8.926 1.693 1.00 0.00 N ATOM 890 CA SER A 55 2.752 8.581 2.050 1.00 0.00 C ATOM 891 C SER A 55 2.989 8.671 3.559 1.00 0.00 C ATOM 892 O SER A 55 4.019 8.222 4.057 1.00 0.00 O ATOM 893 CB SER A 55 3.712 9.509 1.308 1.00 0.00 C ATOM 894 OG SER A 55 3.358 9.599 -0.061 1.00 0.00 O ATOM 0 H SER A 55 1.300 9.791 1.159 1.00 0.00 H new ATOM 0 HA SER A 55 2.931 7.546 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.691 10.500 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.732 9.137 1.402 1.00 0.00 H new ATOM 0 HG SER A 55 3.982 10.198 -0.521 1.00 0.00 H new ATOM 900 N ASN A 56 2.043 9.257 4.286 1.00 0.00 N ATOM 901 CA ASN A 56 2.172 9.378 5.737 1.00 0.00 C ATOM 902 C ASN A 56 1.502 8.213 6.458 1.00 0.00 C ATOM 903 O ASN A 56 1.732 7.996 7.647 1.00 0.00 O ATOM 904 CB ASN A 56 1.576 10.696 6.236 1.00 0.00 C ATOM 905 CG ASN A 56 2.326 11.906 5.723 1.00 0.00 C ATOM 906 OD1 ASN A 56 1.968 12.482 4.695 1.00 0.00 O ATOM 907 ND2 ASN A 56 3.387 12.288 6.417 1.00 0.00 N ATOM 0 H ASN A 56 1.186 9.653 3.900 1.00 0.00 H new ATOM 0 HA ASN A 56 3.238 9.361 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.534 10.760 5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.583 10.704 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.940 13.086 6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.651 11.784 7.264 1.00 0.00 H new ATOM 914 N TYR A 57 0.673 7.464 5.742 1.00 0.00 N ATOM 915 CA TYR A 57 -0.042 6.346 6.341 1.00 0.00 C ATOM 916 C TYR A 57 0.590 5.019 5.944 1.00 0.00 C ATOM 917 O TYR A 57 0.241 3.969 6.481 1.00 0.00 O ATOM 918 CB TYR A 57 -1.522 6.371 5.941 1.00 0.00 C ATOM 919 CG TYR A 57 -2.333 7.437 6.648 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.295 8.766 6.239 1.00 0.00 C ATOM 921 CD2 TYR A 57 -3.138 7.113 7.729 1.00 0.00 C ATOM 922 CE1 TYR A 57 -3.037 9.735 6.890 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.882 8.075 8.384 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.828 9.385 7.962 1.00 0.00 C ATOM 925 OH TYR A 57 -4.566 10.347 8.618 1.00 0.00 O ATOM 0 H TYR A 57 0.480 7.610 4.751 1.00 0.00 H new ATOM 0 HA TYR A 57 0.027 6.448 7.424 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.594 6.528 4.865 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.961 5.396 6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.676 9.046 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.184 6.088 8.066 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.996 10.762 6.559 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.504 7.801 9.224 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.069 9.931 9.349 1.00 0.00 H new ATOM 935 N VAL A 58 1.531 5.065 5.010 1.00 0.00 N ATOM 936 CA VAL A 58 2.215 3.863 4.556 1.00 0.00 C ATOM 937 C VAL A 58 3.732 4.059 4.642 1.00 0.00 C ATOM 938 O VAL A 58 4.211 5.193 4.673 1.00 0.00 O ATOM 939 CB VAL A 58 1.821 3.489 3.111 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.323 3.307 2.993 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.306 4.531 2.120 1.00 0.00 C ATOM 0 H VAL A 58 1.838 5.923 4.552 1.00 0.00 H new ATOM 0 HA VAL A 58 1.910 3.045 5.209 1.00 0.00 H new ATOM 0 HB VAL A 58 2.306 2.543 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.068 3.044 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.001 2.510 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.179 4.236 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.013 4.238 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.862 5.497 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.392 4.607 2.174 1.00 0.00 H new ATOM 951 N GLU A 59 4.481 2.962 4.688 1.00 0.00 N ATOM 952 CA GLU A 59 5.936 3.030 4.816 1.00 0.00 C ATOM 953 C GLU A 59 6.624 2.094 3.823 1.00 0.00 C ATOM 954 O GLU A 59 6.039 1.108 3.373 1.00 0.00 O ATOM 955 CB GLU A 59 6.353 2.656 6.242 1.00 0.00 C ATOM 956 CG GLU A 59 5.849 3.620 7.303 1.00 0.00 C ATOM 957 CD GLU A 59 6.698 4.876 7.426 1.00 0.00 C ATOM 958 OE1 GLU A 59 6.733 5.677 6.473 1.00 0.00 O ATOM 959 OE2 GLU A 59 7.337 5.073 8.481 1.00 0.00 O ATOM 0 H GLU A 59 4.106 2.015 4.639 1.00 0.00 H new ATOM 0 HA GLU A 59 6.245 4.052 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.983 1.656 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.441 2.612 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.823 3.905 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.825 3.110 8.266 1.00 0.00 H new ATOM 966 N ARG A 60 7.870 2.411 3.486 1.00 0.00 N ATOM 967 CA ARG A 60 8.681 1.558 2.618 1.00 0.00 C ATOM 968 C ARG A 60 9.567 0.648 3.458 1.00 0.00 C ATOM 969 O ARG A 60 9.326 0.462 4.652 1.00 0.00 O ATOM 970 CB ARG A 60 9.569 2.404 1.697 1.00 0.00 C ATOM 971 CG ARG A 60 8.808 3.333 0.770 1.00 0.00 C ATOM 972 CD ARG A 60 9.754 4.173 -0.082 1.00 0.00 C ATOM 973 NE ARG A 60 10.734 4.903 0.732 1.00 0.00 N ATOM 974 CZ ARG A 60 11.607 5.790 0.242 1.00 0.00 C ATOM 975 NH1 ARG A 60 11.586 6.116 -1.044 1.00 0.00 N ATOM 976 NH2 ARG A 60 12.503 6.356 1.046 1.00 0.00 N ATOM 0 H ARG A 60 8.344 3.257 3.802 1.00 0.00 H new ATOM 0 HA ARG A 60 8.004 0.958 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.246 2.998 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.187 1.737 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.156 2.747 0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.167 3.990 1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.278 3.526 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.175 4.882 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 60 10.750 4.722 1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.900 5.689 -1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.255 6.793 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.524 6.114 2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.169 7.032 0.672 1.00 0.00 H new ATOM 990 N LYS A 61 10.598 0.083 2.834 1.00 0.00 N ATOM 991 CA LYS A 61 11.604 -0.665 3.571 1.00 0.00 C ATOM 992 C LYS A 61 12.452 0.294 4.398 1.00 0.00 C ATOM 993 O LYS A 61 13.486 0.784 3.940 1.00 0.00 O ATOM 994 CB LYS A 61 12.507 -1.472 2.636 1.00 0.00 C ATOM 995 CG LYS A 61 11.890 -2.755 2.103 1.00 0.00 C ATOM 996 CD LYS A 61 12.951 -3.621 1.439 1.00 0.00 C ATOM 997 CE LYS A 61 12.402 -4.966 0.997 1.00 0.00 C ATOM 998 NZ LYS A 61 13.476 -5.852 0.466 1.00 0.00 N ATOM 0 H LYS A 61 10.755 0.130 1.827 1.00 0.00 H new ATOM 0 HA LYS A 61 11.086 -1.366 4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.787 -0.842 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.426 -1.721 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.421 -3.306 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.105 -2.517 1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.358 -3.095 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.776 -3.778 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.911 -5.454 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.643 -4.815 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.063 -6.761 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.927 -5.398 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.188 -6.017 1.206 1.00 0.00 H new ATOM 1012 N ASN A 62 11.990 0.582 5.603 1.00 0.00 N ATOM 1013 CA ASN A 62 12.672 1.519 6.488 1.00 0.00 C ATOM 1014 C ASN A 62 13.876 0.862 7.152 1.00 0.00 C ATOM 1015 O ASN A 62 14.753 1.535 7.695 1.00 0.00 O ATOM 1016 CB ASN A 62 11.690 2.042 7.544 1.00 0.00 C ATOM 1017 CG ASN A 62 12.258 3.175 8.382 1.00 0.00 C ATOM 1018 OD1 ASN A 62 13.088 3.955 7.918 1.00 0.00 O ATOM 1019 ND2 ASN A 62 11.808 3.278 9.624 1.00 0.00 N ATOM 0 H ASN A 62 11.139 0.178 5.996 1.00 0.00 H new ATOM 0 HA ASN A 62 13.036 2.358 5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.782 2.386 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.403 1.221 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.150 4.023 10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.119 2.612 9.974 1.00 0.00 H new ATOM 1026 N SER A 63 13.917 -0.457 7.104 1.00 0.00 N ATOM 1027 CA SER A 63 15.019 -1.200 7.683 1.00 0.00 C ATOM 1028 C SER A 63 15.302 -2.456 6.858 1.00 0.00 C ATOM 1029 O SER A 63 15.018 -3.576 7.335 1.00 0.00 O ATOM 1030 CB SER A 63 14.695 -1.564 9.133 1.00 0.00 C ATOM 1031 OG SER A 63 14.402 -0.400 9.900 1.00 0.00 O ATOM 0 H SER A 63 13.198 -1.036 6.669 1.00 0.00 H new ATOM 0 HA SER A 63 15.914 -0.578 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.844 -2.244 9.159 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.539 -2.092 9.576 1.00 0.00 H new ATOM 0 HG SER A 63 14.197 -0.659 10.823 1.00 0.00 H new TER 1037 SER A 63