USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 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+ -136:sc= 1.26 (180deg=0.838) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.139 F(o=-2.3,f=-0.14) USER MOD Single : A 21 GLN : amide:sc= -0.0444 K(o=-0.044,f=-1.3!) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.09) 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=-0.29) USER MOD Single : A 37 SER OG : rot -95:sc= 1.31 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= 0.854 K(o=0.85,f=-4.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -141:sc= -2.29! (180deg=-5.31!) USER MOD Single : A 48 ASN : amide:sc= -0.354 X(o=-0.35,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= 1.15 (180deg=1) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 86:sc= 1.09 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0116 F(o=-0.58,f=-0.012) 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=-0.00669 X(o=-0.0067,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.133 -13.612 -14.250 1.00 0.00 N ATOM 2 CA GLY A 1 1.531 -13.129 -14.149 1.00 0.00 C ATOM 3 C GLY A 1 2.494 -14.251 -13.830 1.00 0.00 C ATOM 4 O GLY A 1 2.493 -15.290 -14.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.495 -12.813 -14.470 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.065 -14.324 -15.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.153 -14.039 -13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.821 -12.658 -15.088 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.596 -12.364 -13.375 1.00 0.00 H new ATOM 8 N SER A 2 3.313 -14.049 -12.812 1.00 0.00 N ATOM 9 CA SER A 2 4.218 -15.083 -12.339 1.00 0.00 C ATOM 10 C SER A 2 4.336 -15.014 -10.823 1.00 0.00 C ATOM 11 O SER A 2 4.344 -13.926 -10.241 1.00 0.00 O ATOM 12 CB SER A 2 5.594 -14.930 -12.995 1.00 0.00 C ATOM 13 OG SER A 2 5.488 -15.017 -14.406 1.00 0.00 O ATOM 0 H SER A 2 3.370 -13.172 -12.294 1.00 0.00 H new ATOM 0 HA SER A 2 3.816 -16.058 -12.615 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.031 -13.971 -12.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.266 -15.705 -12.627 1.00 0.00 H new ATOM 0 HG SER A 2 6.376 -14.915 -14.808 1.00 0.00 H new ATOM 19 N MET A 3 4.405 -16.168 -10.184 1.00 0.00 N ATOM 20 CA MET A 3 4.465 -16.225 -8.736 1.00 0.00 C ATOM 21 C MET A 3 5.911 -16.171 -8.260 1.00 0.00 C ATOM 22 O MET A 3 6.620 -17.181 -8.272 1.00 0.00 O ATOM 23 CB MET A 3 3.779 -17.490 -8.224 1.00 0.00 C ATOM 24 CG MET A 3 2.301 -17.563 -8.574 1.00 0.00 C ATOM 25 SD MET A 3 1.508 -19.044 -7.924 1.00 0.00 S ATOM 26 CE MET A 3 -0.177 -18.796 -8.476 1.00 0.00 C ATOM 0 H MET A 3 4.421 -17.078 -10.645 1.00 0.00 H new ATOM 0 HA MET A 3 3.938 -15.360 -8.333 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.286 -18.362 -8.638 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.891 -17.541 -7.141 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.794 -16.682 -8.181 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.186 -17.540 -9.658 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.794 -19.633 -8.150 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.567 -17.871 -8.051 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.198 -18.733 -9.564 1.00 0.00 H new ATOM 36 N ALA A 4 6.349 -14.980 -7.878 1.00 0.00 N ATOM 37 CA ALA A 4 7.708 -14.773 -7.403 1.00 0.00 C ATOM 38 C ALA A 4 7.743 -13.646 -6.381 1.00 0.00 C ATOM 39 O ALA A 4 6.721 -13.012 -6.119 1.00 0.00 O ATOM 40 CB ALA A 4 8.641 -14.466 -8.569 1.00 0.00 C ATOM 0 H ALA A 4 5.776 -14.136 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 4 8.051 -15.689 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.653 -14.314 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.635 -15.301 -9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.303 -13.563 -9.078 1.00 0.00 H new ATOM 46 N GLU A 5 8.915 -13.399 -5.809 1.00 0.00 N ATOM 47 CA GLU A 5 9.060 -12.358 -4.803 1.00 0.00 C ATOM 48 C GLU A 5 9.007 -10.975 -5.451 1.00 0.00 C ATOM 49 O GLU A 5 9.809 -10.658 -6.332 1.00 0.00 O ATOM 50 CB GLU A 5 10.375 -12.538 -4.044 1.00 0.00 C ATOM 51 CG GLU A 5 10.493 -11.672 -2.798 1.00 0.00 C ATOM 52 CD GLU A 5 11.842 -11.801 -2.119 1.00 0.00 C ATOM 53 OE1 GLU A 5 12.107 -12.856 -1.501 1.00 0.00 O ATOM 54 OE2 GLU A 5 12.643 -10.843 -2.193 1.00 0.00 O ATOM 0 H GLU A 5 9.775 -13.904 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 5 8.233 -12.440 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.477 -13.585 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.204 -12.308 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.326 -10.629 -3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.709 -11.948 -2.093 1.00 0.00 H new ATOM 61 N GLU A 6 8.052 -10.164 -5.019 1.00 0.00 N ATOM 62 CA GLU A 6 7.908 -8.810 -5.531 1.00 0.00 C ATOM 63 C GLU A 6 8.170 -7.801 -4.413 1.00 0.00 C ATOM 64 O GLU A 6 8.161 -8.165 -3.237 1.00 0.00 O ATOM 65 CB GLU A 6 6.515 -8.617 -6.139 1.00 0.00 C ATOM 66 CG GLU A 6 6.223 -9.563 -7.298 1.00 0.00 C ATOM 67 CD GLU A 6 4.864 -9.325 -7.929 1.00 0.00 C ATOM 68 OE1 GLU A 6 3.864 -9.881 -7.428 1.00 0.00 O ATOM 69 OE2 GLU A 6 4.790 -8.595 -8.937 1.00 0.00 O ATOM 0 H GLU A 6 7.363 -10.422 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 6 8.642 -8.644 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.764 -8.764 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.418 -7.588 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.996 -9.447 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.277 -10.592 -6.943 1.00 0.00 H new ATOM 76 N VAL A 7 8.418 -6.550 -4.783 1.00 0.00 N ATOM 77 CA VAL A 7 8.766 -5.513 -3.814 1.00 0.00 C ATOM 78 C VAL A 7 7.589 -5.202 -2.891 1.00 0.00 C ATOM 79 O VAL A 7 6.580 -4.627 -3.316 1.00 0.00 O ATOM 80 CB VAL A 7 9.224 -4.217 -4.521 1.00 0.00 C ATOM 81 CG1 VAL A 7 9.605 -3.151 -3.503 1.00 0.00 C ATOM 82 CG2 VAL A 7 10.390 -4.499 -5.457 1.00 0.00 C ATOM 0 H VAL A 7 8.385 -6.227 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 7 9.592 -5.898 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 7 8.389 -3.842 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.924 -2.248 -4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.744 -2.923 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.421 -3.518 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.697 -3.574 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.226 -4.903 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.084 -5.223 -6.212 1.00 0.00 H new ATOM 92 N VAL A 8 7.724 -5.588 -1.629 1.00 0.00 N ATOM 93 CA VAL A 8 6.669 -5.384 -0.655 1.00 0.00 C ATOM 94 C VAL A 8 7.058 -4.341 0.384 1.00 0.00 C ATOM 95 O VAL A 8 8.195 -4.293 0.851 1.00 0.00 O ATOM 96 CB VAL A 8 6.286 -6.708 0.044 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.339 -6.467 1.206 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.645 -7.651 -0.956 1.00 0.00 C ATOM 0 H VAL A 8 8.557 -6.045 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 8 5.801 -5.015 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 8 7.197 -7.157 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.090 -7.419 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.818 -5.816 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.428 -5.993 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.377 -8.583 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.748 -7.189 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.349 -7.860 -1.762 1.00 0.00 H new ATOM 108 N VAL A 9 6.091 -3.512 0.721 1.00 0.00 N ATOM 109 CA VAL A 9 6.236 -2.468 1.719 1.00 0.00 C ATOM 110 C VAL A 9 5.262 -2.731 2.868 1.00 0.00 C ATOM 111 O VAL A 9 4.634 -3.791 2.912 1.00 0.00 O ATOM 112 CB VAL A 9 5.942 -1.097 1.093 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.072 -0.703 0.155 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.613 -1.142 0.353 1.00 0.00 C ATOM 0 H VAL A 9 5.162 -3.545 0.301 1.00 0.00 H new ATOM 0 HA VAL A 9 7.258 -2.470 2.098 1.00 0.00 H new ATOM 0 HB VAL A 9 5.873 -0.346 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.857 0.271 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.007 -0.650 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.164 -1.447 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.410 -0.167 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.660 -1.895 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.816 -1.397 1.052 1.00 0.00 H new ATOM 124 N VAL A 10 5.119 -1.796 3.789 1.00 0.00 N ATOM 125 CA VAL A 10 4.196 -1.984 4.901 1.00 0.00 C ATOM 126 C VAL A 10 3.476 -0.670 5.230 1.00 0.00 C ATOM 127 O VAL A 10 4.026 0.409 5.032 1.00 0.00 O ATOM 128 CB VAL A 10 4.934 -2.525 6.151 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.932 -1.508 6.684 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.943 -2.925 7.235 1.00 0.00 C ATOM 0 H VAL A 10 5.621 -0.908 3.793 1.00 0.00 H new ATOM 0 HA VAL A 10 3.453 -2.723 4.601 1.00 0.00 H new ATOM 0 HB VAL A 10 5.489 -3.414 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.434 -1.916 7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.671 -1.285 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.407 -0.593 6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.485 -3.302 8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.352 -2.057 7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.282 -3.703 6.854 1.00 0.00 H new ATOM 140 N ALA A 11 2.241 -0.764 5.702 1.00 0.00 N ATOM 141 CA ALA A 11 1.459 0.414 6.033 1.00 0.00 C ATOM 142 C ALA A 11 1.702 0.863 7.469 1.00 0.00 C ATOM 143 O ALA A 11 1.891 0.040 8.365 1.00 0.00 O ATOM 144 CB ALA A 11 -0.011 0.124 5.821 1.00 0.00 C ATOM 0 H ALA A 11 1.759 -1.648 5.864 1.00 0.00 H new ATOM 0 HA ALA A 11 1.772 1.225 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.596 1.009 6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.183 -0.143 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.315 -0.704 6.462 1.00 0.00 H new ATOM 150 N LYS A 12 1.673 2.171 7.682 1.00 0.00 N ATOM 151 CA LYS A 12 1.916 2.742 8.998 1.00 0.00 C ATOM 152 C LYS A 12 0.604 2.873 9.762 1.00 0.00 C ATOM 153 O LYS A 12 0.511 2.484 10.927 1.00 0.00 O ATOM 154 CB LYS A 12 2.586 4.108 8.857 1.00 0.00 C ATOM 155 CG LYS A 12 3.315 4.589 10.107 1.00 0.00 C ATOM 156 CD LYS A 12 4.437 3.634 10.494 1.00 0.00 C ATOM 157 CE LYS A 12 5.419 4.267 11.467 1.00 0.00 C ATOM 158 NZ LYS A 12 6.210 5.359 10.837 1.00 0.00 N ATOM 0 H LYS A 12 1.482 2.860 6.955 1.00 0.00 H new ATOM 0 HA LYS A 12 2.579 2.081 9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.296 4.066 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.828 4.844 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.725 5.584 9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.608 4.677 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.010 2.737 10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.969 3.319 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.874 4.663 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.097 3.502 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.208 5.268 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.130 5.293 9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.845 6.280 11.155 1.00 0.00 H new ATOM 172 N PHE A 13 -0.410 3.418 9.095 1.00 0.00 N ATOM 173 CA PHE A 13 -1.729 3.585 9.694 1.00 0.00 C ATOM 174 C PHE A 13 -2.822 3.240 8.690 1.00 0.00 C ATOM 175 O PHE A 13 -2.587 3.254 7.485 1.00 0.00 O ATOM 176 CB PHE A 13 -1.925 5.023 10.190 1.00 0.00 C ATOM 177 CG PHE A 13 -1.040 5.398 11.344 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.308 4.923 12.617 1.00 0.00 C ATOM 179 CD2 PHE A 13 0.058 6.221 11.156 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.499 5.264 13.684 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.870 6.567 12.218 1.00 0.00 C ATOM 182 CZ PHE A 13 0.591 6.088 13.483 1.00 0.00 C ATOM 0 H PHE A 13 -0.341 3.753 8.134 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.797 2.906 10.544 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.738 5.710 9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.966 5.156 10.486 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.159 4.278 12.778 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.282 6.596 10.168 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.718 4.887 14.672 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.722 7.211 12.060 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.225 6.358 14.315 1.00 0.00 H new ATOM 192 N ASP A 14 -4.001 2.910 9.207 1.00 0.00 N ATOM 193 CA ASP A 14 -5.180 2.622 8.386 1.00 0.00 C ATOM 194 C ASP A 14 -5.465 3.719 7.359 1.00 0.00 C ATOM 195 O ASP A 14 -5.527 4.901 7.697 1.00 0.00 O ATOM 196 CB ASP A 14 -6.417 2.490 9.262 1.00 0.00 C ATOM 197 CG ASP A 14 -6.497 1.184 10.014 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.765 1.013 11.007 1.00 0.00 O ATOM 199 OD2 ASP A 14 -7.306 0.325 9.614 1.00 0.00 O ATOM 0 H ASP A 14 -4.170 2.834 10.210 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.961 1.691 7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.433 3.312 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.305 2.594 8.638 1.00 0.00 H new ATOM 204 N TYR A 15 -5.652 3.311 6.114 1.00 0.00 N ATOM 205 CA TYR A 15 -6.155 4.199 5.077 1.00 0.00 C ATOM 206 C TYR A 15 -7.217 3.477 4.262 1.00 0.00 C ATOM 207 O TYR A 15 -6.933 2.489 3.583 1.00 0.00 O ATOM 208 CB TYR A 15 -5.031 4.705 4.164 1.00 0.00 C ATOM 209 CG TYR A 15 -5.551 5.378 2.914 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.090 6.656 2.964 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.523 4.723 1.687 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.590 7.262 1.828 1.00 0.00 C ATOM 213 CE2 TYR A 15 -6.021 5.324 0.548 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.555 6.592 0.623 1.00 0.00 C ATOM 215 OH TYR A 15 -7.042 7.199 -0.510 1.00 0.00 O ATOM 0 H TYR A 15 -5.461 2.361 5.795 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.594 5.072 5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.408 5.408 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.393 3.867 3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.119 7.185 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.105 3.729 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.007 8.257 1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.992 4.803 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.943 6.593 -1.274 1.00 0.00 H new ATOM 225 N VAL A 16 -8.439 3.967 4.338 1.00 0.00 N ATOM 226 CA VAL A 16 -9.551 3.331 3.661 1.00 0.00 C ATOM 227 C VAL A 16 -9.780 3.955 2.292 1.00 0.00 C ATOM 228 O VAL A 16 -9.926 5.170 2.166 1.00 0.00 O ATOM 229 CB VAL A 16 -10.844 3.437 4.496 1.00 0.00 C ATOM 230 CG1 VAL A 16 -11.991 2.701 3.819 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.619 2.905 5.903 1.00 0.00 C ATOM 0 H VAL A 16 -8.687 4.806 4.863 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.297 2.278 3.536 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.115 4.490 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.891 2.791 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.173 3.136 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.732 1.648 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.543 2.989 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.317 1.859 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.836 3.486 6.391 1.00 0.00 H new ATOM 241 N ALA A 17 -9.801 3.115 1.271 1.00 0.00 N ATOM 242 CA ALA A 17 -10.133 3.554 -0.069 1.00 0.00 C ATOM 243 C ALA A 17 -11.644 3.562 -0.213 1.00 0.00 C ATOM 244 O ALA A 17 -12.332 2.774 0.444 1.00 0.00 O ATOM 245 CB ALA A 17 -9.521 2.632 -1.106 1.00 0.00 C ATOM 0 H ALA A 17 -9.590 2.120 1.348 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.732 4.555 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.784 2.982 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.437 2.630 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.902 1.621 -0.964 1.00 0.00 H new ATOM 251 N GLN A 18 -12.167 4.431 -1.057 1.00 0.00 N ATOM 252 CA GLN A 18 -13.604 4.520 -1.226 1.00 0.00 C ATOM 253 C GLN A 18 -14.068 3.581 -2.328 1.00 0.00 C ATOM 254 O GLN A 18 -15.180 3.051 -2.283 1.00 0.00 O ATOM 255 CB GLN A 18 -14.037 5.953 -1.528 1.00 0.00 C ATOM 256 CG GLN A 18 -13.717 6.925 -0.408 1.00 0.00 C ATOM 257 CD GLN A 18 -12.427 7.689 -0.633 1.00 0.00 C ATOM 258 OE1 GLN A 18 -12.426 8.761 -1.237 1.00 0.00 O ATOM 259 NE2 GLN A 18 -11.326 7.154 -0.133 1.00 0.00 N ATOM 0 H GLN A 18 -11.626 5.078 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.072 4.218 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.547 6.288 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.110 5.969 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.539 7.634 -0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.648 6.377 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.371 6.263 0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.432 7.632 -0.241 1.00 0.00 H new ATOM 268 N GLN A 19 -13.204 3.369 -3.314 1.00 0.00 N ATOM 269 CA GLN A 19 -13.495 2.447 -4.408 1.00 0.00 C ATOM 270 C GLN A 19 -12.286 1.569 -4.699 1.00 0.00 C ATOM 271 O GLN A 19 -11.175 1.871 -4.263 1.00 0.00 O ATOM 272 CB GLN A 19 -13.896 3.193 -5.689 1.00 0.00 C ATOM 273 CG GLN A 19 -15.170 4.000 -5.573 1.00 0.00 C ATOM 274 CD GLN A 19 -14.923 5.492 -5.452 1.00 0.00 C ATOM 275 OE1 GLN A 19 -13.795 5.874 -4.874 1.00 0.00 O flip ATOM 276 NE2 GLN A 19 -15.744 6.298 -5.887 1.00 0.00 N flip ATOM 0 H GLN A 19 -12.293 3.824 -3.379 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.334 1.828 -4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.083 3.860 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.012 2.468 -6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.793 3.811 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.730 3.659 -4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.602 5.965 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.567 7.299 -5.809 1.00 0.00 H new ATOM 285 N GLU A 20 -12.508 0.492 -5.451 1.00 0.00 N ATOM 286 CA GLU A 20 -11.438 -0.430 -5.836 1.00 0.00 C ATOM 287 C GLU A 20 -10.506 0.195 -6.877 1.00 0.00 C ATOM 288 O GLU A 20 -9.529 -0.421 -7.302 1.00 0.00 O ATOM 289 CB GLU A 20 -12.035 -1.727 -6.377 1.00 0.00 C ATOM 290 CG GLU A 20 -12.928 -2.443 -5.376 1.00 0.00 C ATOM 291 CD GLU A 20 -13.640 -3.628 -5.985 1.00 0.00 C ATOM 292 OE1 GLU A 20 -13.085 -4.242 -6.920 1.00 0.00 O ATOM 293 OE2 GLU A 20 -14.751 -3.953 -5.523 1.00 0.00 O ATOM 0 H GLU A 20 -13.428 0.234 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.847 -0.648 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.612 -1.506 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.226 -2.395 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.326 -2.779 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.665 -1.742 -4.984 1.00 0.00 H new ATOM 300 N GLN A 21 -10.843 1.408 -7.304 1.00 0.00 N ATOM 301 CA GLN A 21 -9.994 2.178 -8.208 1.00 0.00 C ATOM 302 C GLN A 21 -8.843 2.787 -7.421 1.00 0.00 C ATOM 303 O GLN A 21 -7.884 3.323 -7.982 1.00 0.00 O ATOM 304 CB GLN A 21 -10.811 3.291 -8.869 1.00 0.00 C ATOM 305 CG GLN A 21 -11.200 4.410 -7.909 1.00 0.00 C ATOM 306 CD GLN A 21 -12.293 5.298 -8.464 1.00 0.00 C ATOM 307 OE1 GLN A 21 -13.152 4.839 -9.212 1.00 0.00 O ATOM 308 NE2 GLN A 21 -12.273 6.574 -8.112 1.00 0.00 N ATOM 0 H GLN A 21 -11.705 1.882 -7.036 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.600 1.519 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.236 3.713 -9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.715 2.861 -9.299 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.533 3.976 -6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.321 5.016 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.544 6.920 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.987 7.211 -8.464 1.00 0.00 H new ATOM 317 N GLU A 22 -8.973 2.714 -6.108 1.00 0.00 N ATOM 318 CA GLU A 22 -7.988 3.248 -5.193 1.00 0.00 C ATOM 319 C GLU A 22 -7.382 2.095 -4.410 1.00 0.00 C ATOM 320 O GLU A 22 -7.819 0.953 -4.551 1.00 0.00 O ATOM 321 CB GLU A 22 -8.657 4.246 -4.246 1.00 0.00 C ATOM 322 CG GLU A 22 -9.514 5.271 -4.959 1.00 0.00 C ATOM 323 CD GLU A 22 -10.362 6.096 -4.016 1.00 0.00 C ATOM 324 OE1 GLU A 22 -11.239 5.513 -3.345 1.00 0.00 O ATOM 325 OE2 GLU A 22 -10.168 7.330 -3.956 1.00 0.00 O ATOM 0 H GLU A 22 -9.772 2.279 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.202 3.767 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.274 3.700 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.888 4.763 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.871 5.936 -5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.164 4.761 -5.670 1.00 0.00 H new ATOM 332 N LEU A 23 -6.398 2.375 -3.577 1.00 0.00 N ATOM 333 CA LEU A 23 -5.749 1.314 -2.829 1.00 0.00 C ATOM 334 C LEU A 23 -6.200 1.355 -1.372 1.00 0.00 C ATOM 335 O LEU A 23 -6.141 2.403 -0.726 1.00 0.00 O ATOM 336 CB LEU A 23 -4.228 1.463 -2.932 1.00 0.00 C ATOM 337 CG LEU A 23 -3.426 0.158 -2.862 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.417 -0.410 -1.457 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.003 -0.858 -3.823 1.00 0.00 C ATOM 0 H LEU A 23 -6.035 3.312 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.031 0.349 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.993 1.962 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.890 2.119 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.397 0.382 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.840 -1.335 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.965 0.311 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.440 -0.615 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.426 -1.781 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.041 -1.061 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.958 -0.465 -4.839 1.00 0.00 H new ATOM 351 N ASP A 24 -6.654 0.221 -0.861 1.00 0.00 N ATOM 352 CA ASP A 24 -7.083 0.132 0.528 1.00 0.00 C ATOM 353 C ASP A 24 -5.966 -0.468 1.369 1.00 0.00 C ATOM 354 O ASP A 24 -5.401 -1.506 1.023 1.00 0.00 O ATOM 355 CB ASP A 24 -8.368 -0.703 0.654 1.00 0.00 C ATOM 356 CG ASP A 24 -8.139 -2.196 0.490 1.00 0.00 C ATOM 357 OD1 ASP A 24 -7.830 -2.642 -0.637 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.261 -2.929 1.499 1.00 0.00 O ATOM 0 H ASP A 24 -6.735 -0.650 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.304 1.135 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.818 -0.517 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.084 -0.369 -0.097 1.00 0.00 H new ATOM 363 N ILE A 25 -5.614 0.193 2.459 1.00 0.00 N ATOM 364 CA ILE A 25 -4.534 -0.298 3.293 1.00 0.00 C ATOM 365 C ILE A 25 -4.938 -0.321 4.766 1.00 0.00 C ATOM 366 O ILE A 25 -5.768 0.474 5.221 1.00 0.00 O ATOM 367 CB ILE A 25 -3.225 0.516 3.115 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.336 1.914 3.711 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.853 0.631 1.647 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.223 2.217 4.675 1.00 0.00 C ATOM 0 H ILE A 25 -6.052 1.056 2.782 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.335 -1.318 2.963 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.446 -0.028 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.327 2.650 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.293 2.013 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.932 1.206 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.705 -0.365 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.655 1.135 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.349 3.225 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.246 1.499 5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.265 2.147 4.159 1.00 0.00 H new ATOM 382 N LYS A 26 -4.342 -1.241 5.500 1.00 0.00 N ATOM 383 CA LYS A 26 -4.622 -1.410 6.914 1.00 0.00 C ATOM 384 C LYS A 26 -3.352 -1.127 7.700 1.00 0.00 C ATOM 385 O LYS A 26 -2.253 -1.321 7.187 1.00 0.00 O ATOM 386 CB LYS A 26 -5.114 -2.845 7.173 1.00 0.00 C ATOM 387 CG LYS A 26 -5.381 -3.166 8.636 1.00 0.00 C ATOM 388 CD LYS A 26 -6.648 -2.496 9.130 1.00 0.00 C ATOM 389 CE LYS A 26 -6.822 -2.643 10.631 1.00 0.00 C ATOM 390 NZ LYS A 26 -7.982 -1.848 11.117 1.00 0.00 N ATOM 0 H LYS A 26 -3.649 -1.893 5.133 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.401 -0.717 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.030 -3.010 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.371 -3.545 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.466 -4.245 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.536 -2.839 9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.623 -1.438 8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.509 -2.929 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.967 -3.694 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.915 -2.316 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.922 -1.742 12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.970 -0.908 10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.866 -2.337 10.870 1.00 0.00 H new ATOM 404 N LYS A 27 -3.494 -0.633 8.920 1.00 0.00 N ATOM 405 CA LYS A 27 -2.348 -0.411 9.780 1.00 0.00 C ATOM 406 C LYS A 27 -1.553 -1.707 9.937 1.00 0.00 C ATOM 407 O LYS A 27 -2.120 -2.741 10.291 1.00 0.00 O ATOM 408 CB LYS A 27 -2.821 0.098 11.137 1.00 0.00 C ATOM 409 CG LYS A 27 -1.707 0.319 12.142 1.00 0.00 C ATOM 410 CD LYS A 27 -2.255 0.862 13.448 1.00 0.00 C ATOM 411 CE LYS A 27 -1.146 1.141 14.446 1.00 0.00 C ATOM 412 NZ LYS A 27 -1.682 1.659 15.729 1.00 0.00 N ATOM 0 H LYS A 27 -4.391 -0.379 9.334 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.696 0.338 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.357 1.036 10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.533 -0.616 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.185 -0.620 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.975 1.016 11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.812 1.779 13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.957 0.146 13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.583 0.226 14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.449 1.865 14.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.896 1.838 16.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.199 2.545 15.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.327 0.957 16.144 1.00 0.00 H new ATOM 426 N ASN A 28 -0.256 -1.634 9.629 1.00 0.00 N ATOM 427 CA ASN A 28 0.667 -2.775 9.753 1.00 0.00 C ATOM 428 C ASN A 28 0.457 -3.797 8.618 1.00 0.00 C ATOM 429 O ASN A 28 0.996 -4.903 8.649 1.00 0.00 O ATOM 430 CB ASN A 28 0.522 -3.433 11.141 1.00 0.00 C ATOM 431 CG ASN A 28 1.595 -4.465 11.453 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.684 -4.121 11.907 1.00 0.00 O ATOM 433 ND2 ASN A 28 1.286 -5.739 11.250 1.00 0.00 N ATOM 0 H ASN A 28 0.189 -0.783 9.286 1.00 0.00 H new ATOM 0 HA ASN A 28 1.686 -2.401 9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.548 -2.655 11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.456 -3.910 11.205 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.962 -6.469 11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.372 -5.988 10.872 1.00 0.00 H new ATOM 440 N GLU A 29 -0.288 -3.406 7.587 1.00 0.00 N ATOM 441 CA GLU A 29 -0.564 -4.298 6.462 1.00 0.00 C ATOM 442 C GLU A 29 0.521 -4.136 5.404 1.00 0.00 C ATOM 443 O GLU A 29 1.025 -3.038 5.199 1.00 0.00 O ATOM 444 CB GLU A 29 -1.934 -3.974 5.860 1.00 0.00 C ATOM 445 CG GLU A 29 -2.404 -4.944 4.784 1.00 0.00 C ATOM 446 CD GLU A 29 -2.781 -6.306 5.336 1.00 0.00 C ATOM 447 OE1 GLU A 29 -3.765 -6.393 6.104 1.00 0.00 O ATOM 448 OE2 GLU A 29 -2.100 -7.297 5.001 1.00 0.00 O ATOM 0 H GLU A 29 -0.710 -2.481 7.506 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.571 -5.329 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.673 -3.957 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.901 -2.971 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.264 -4.517 4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.615 -5.065 4.042 1.00 0.00 H new ATOM 455 N ARG A 30 0.892 -5.219 4.742 1.00 0.00 N ATOM 456 CA ARG A 30 1.918 -5.148 3.711 1.00 0.00 C ATOM 457 C ARG A 30 1.270 -4.805 2.368 1.00 0.00 C ATOM 458 O ARG A 30 0.192 -5.312 2.045 1.00 0.00 O ATOM 459 CB ARG A 30 2.682 -6.482 3.604 1.00 0.00 C ATOM 460 CG ARG A 30 2.150 -7.388 2.507 1.00 0.00 C ATOM 461 CD ARG A 30 2.522 -8.849 2.713 1.00 0.00 C ATOM 462 NE ARG A 30 1.956 -9.433 3.944 1.00 0.00 N ATOM 463 CZ ARG A 30 0.693 -9.267 4.383 1.00 0.00 C ATOM 464 NH1 ARG A 30 -0.174 -8.501 3.724 1.00 0.00 N ATOM 465 NH2 ARG A 30 0.290 -9.898 5.475 1.00 0.00 N ATOM 0 H ARG A 30 0.504 -6.150 4.896 1.00 0.00 H new ATOM 0 HA ARG A 30 2.631 -4.369 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.736 -6.276 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.624 -7.005 4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.065 -7.298 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.538 -7.052 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.179 -9.427 1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.608 -8.938 2.744 1.00 0.00 H new ATOM 0 HE ARG A 30 2.574 -10.012 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.113 -8.026 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.125 -8.390 4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.935 -10.506 5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.665 -9.776 5.812 1.00 0.00 H new ATOM 479 N LEU A 31 1.913 -3.938 1.600 1.00 0.00 N ATOM 480 CA LEU A 31 1.447 -3.609 0.257 1.00 0.00 C ATOM 481 C LEU A 31 2.557 -3.912 -0.744 1.00 0.00 C ATOM 482 O LEU A 31 3.700 -4.137 -0.357 1.00 0.00 O ATOM 483 CB LEU A 31 1.028 -2.127 0.133 1.00 0.00 C ATOM 484 CG LEU A 31 -0.161 -1.671 0.988 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.264 -2.716 1.000 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.284 -1.322 2.399 1.00 0.00 C ATOM 0 H LEU A 31 2.761 -3.447 1.883 1.00 0.00 H new ATOM 0 HA LEU A 31 0.566 -4.216 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.888 -1.508 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.792 -1.927 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.570 -0.768 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.093 -2.363 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.614 -2.887 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.878 -3.648 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.578 -1.002 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.734 -2.198 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.016 -0.515 2.361 1.00 0.00 H new ATOM 498 N TRP A 32 2.217 -3.924 -2.015 1.00 0.00 N ATOM 499 CA TRP A 32 3.205 -4.102 -3.076 1.00 0.00 C ATOM 500 C TRP A 32 3.496 -2.760 -3.713 1.00 0.00 C ATOM 501 O TRP A 32 2.579 -2.075 -4.150 1.00 0.00 O ATOM 502 CB TRP A 32 2.699 -5.085 -4.135 1.00 0.00 C ATOM 503 CG TRP A 32 2.851 -6.527 -3.752 1.00 0.00 C ATOM 504 CD1 TRP A 32 3.831 -7.375 -4.173 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.001 -7.290 -2.887 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.641 -8.622 -3.632 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.530 -8.595 -2.830 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.850 -7.000 -2.151 1.00 0.00 C ATOM 509 CZ2 TRP A 32 1.945 -9.603 -2.071 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.271 -8.002 -1.396 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.820 -9.289 -1.360 1.00 0.00 C ATOM 0 H TRP A 32 1.259 -3.812 -2.348 1.00 0.00 H new ATOM 0 HA TRP A 32 4.118 -4.512 -2.643 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.646 -4.881 -4.332 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.237 -4.909 -5.066 1.00 0.00 H new ATOM 0 HD1 TRP A 32 4.640 -7.105 -4.836 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.231 -9.437 -3.800 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.420 -6.010 -2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.364 -10.598 -2.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.620 -7.789 -0.824 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.345 -10.050 -0.758 1.00 0.00 H new ATOM 522 N LEU A 33 4.759 -2.384 -3.770 1.00 0.00 N ATOM 523 CA LEU A 33 5.121 -1.044 -4.200 1.00 0.00 C ATOM 524 C LEU A 33 5.584 -1.015 -5.649 1.00 0.00 C ATOM 525 O LEU A 33 6.492 -1.752 -6.039 1.00 0.00 O ATOM 526 CB LEU A 33 6.200 -0.479 -3.280 1.00 0.00 C ATOM 527 CG LEU A 33 6.661 0.941 -3.605 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.479 1.897 -3.605 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.702 1.393 -2.602 1.00 0.00 C ATOM 0 H LEU A 33 5.548 -2.982 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 33 4.229 -0.420 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.826 -0.496 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.066 -1.141 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 33 7.107 0.943 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.825 2.904 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.754 1.580 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.009 1.894 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.024 2.406 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.273 1.377 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.560 0.721 -2.640 1.00 0.00 H new ATOM 541 N LEU A 34 4.945 -0.159 -6.444 1.00 0.00 N ATOM 542 CA LEU A 34 5.299 -0.005 -7.849 1.00 0.00 C ATOM 543 C LEU A 34 6.033 1.314 -8.080 1.00 0.00 C ATOM 544 O LEU A 34 6.939 1.391 -8.908 1.00 0.00 O ATOM 545 CB LEU A 34 4.055 -0.075 -8.749 1.00 0.00 C ATOM 546 CG LEU A 34 3.250 -1.384 -8.685 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.173 -2.595 -8.652 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.305 -1.394 -7.493 1.00 0.00 C ATOM 0 H LEU A 34 4.178 0.439 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 34 5.961 -0.830 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.393 0.749 -8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.368 0.086 -9.781 1.00 0.00 H new ATOM 0 HG LEU A 34 2.647 -1.443 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.576 -3.506 -8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.788 -2.608 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.816 -2.539 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.751 -2.332 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.880 -1.295 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.606 -0.561 -7.576 1.00 0.00 H new ATOM 560 N ASP A 35 5.637 2.354 -7.355 1.00 0.00 N ATOM 561 CA ASP A 35 6.314 3.647 -7.438 1.00 0.00 C ATOM 562 C ASP A 35 6.174 4.415 -6.135 1.00 0.00 C ATOM 563 O ASP A 35 5.092 4.468 -5.552 1.00 0.00 O ATOM 564 CB ASP A 35 5.772 4.501 -8.589 1.00 0.00 C ATOM 565 CG ASP A 35 6.355 5.904 -8.567 1.00 0.00 C ATOM 566 OD1 ASP A 35 7.598 6.033 -8.470 1.00 0.00 O ATOM 567 OD2 ASP A 35 5.581 6.877 -8.618 1.00 0.00 O ATOM 0 H ASP A 35 4.852 2.329 -6.704 1.00 0.00 H new ATOM 0 HA ASP A 35 7.367 3.440 -7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.008 4.023 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.686 4.557 -8.521 1.00 0.00 H new ATOM 572 N ASP A 36 7.273 5.005 -5.690 1.00 0.00 N ATOM 573 CA ASP A 36 7.295 5.767 -4.450 1.00 0.00 C ATOM 574 C ASP A 36 8.015 7.097 -4.645 1.00 0.00 C ATOM 575 O ASP A 36 8.379 7.764 -3.677 1.00 0.00 O ATOM 576 CB ASP A 36 7.984 4.963 -3.342 1.00 0.00 C ATOM 577 CG ASP A 36 9.452 4.708 -3.624 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.762 3.908 -4.536 1.00 0.00 O ATOM 579 OD2 ASP A 36 10.304 5.304 -2.930 1.00 0.00 O ATOM 0 H ASP A 36 8.170 4.970 -6.175 1.00 0.00 H new ATOM 0 HA ASP A 36 6.264 5.967 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.888 5.499 -2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.471 4.009 -3.220 1.00 0.00 H new ATOM 584 N SER A 37 8.195 7.500 -5.900 1.00 0.00 N ATOM 585 CA SER A 37 8.915 8.732 -6.204 1.00 0.00 C ATOM 586 C SER A 37 7.997 9.951 -6.084 1.00 0.00 C ATOM 587 O SER A 37 8.451 11.094 -6.143 1.00 0.00 O ATOM 588 CB SER A 37 9.530 8.657 -7.609 1.00 0.00 C ATOM 589 OG SER A 37 8.537 8.466 -8.606 1.00 0.00 O ATOM 0 H SER A 37 7.854 6.995 -6.718 1.00 0.00 H new ATOM 0 HA SER A 37 9.718 8.844 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.081 9.575 -7.815 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.248 7.838 -7.649 1.00 0.00 H new ATOM 0 HG SER A 37 8.453 7.510 -8.805 1.00 0.00 H new ATOM 595 N LYS A 38 6.707 9.700 -5.907 1.00 0.00 N ATOM 596 CA LYS A 38 5.723 10.769 -5.801 1.00 0.00 C ATOM 597 C LYS A 38 5.310 10.951 -4.337 1.00 0.00 C ATOM 598 O LYS A 38 5.805 10.247 -3.461 1.00 0.00 O ATOM 599 CB LYS A 38 4.504 10.422 -6.667 1.00 0.00 C ATOM 600 CG LYS A 38 3.598 11.604 -6.988 1.00 0.00 C ATOM 601 CD LYS A 38 4.334 12.667 -7.787 1.00 0.00 C ATOM 602 CE LYS A 38 3.409 13.799 -8.196 1.00 0.00 C ATOM 603 NZ LYS A 38 4.121 14.844 -8.980 1.00 0.00 N ATOM 0 H LYS A 38 6.316 8.761 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 38 6.155 11.705 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.852 9.983 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.917 9.659 -6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.732 11.258 -7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.222 12.038 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.157 13.065 -7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.773 12.215 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.586 13.399 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.971 14.249 -7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.454 15.598 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.890 15.245 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.517 14.421 -9.843 1.00 0.00 H new ATOM 617 N SER A 39 4.425 11.905 -4.070 1.00 0.00 N ATOM 618 CA SER A 39 3.868 12.072 -2.732 1.00 0.00 C ATOM 619 C SER A 39 2.713 11.087 -2.535 1.00 0.00 C ATOM 620 O SER A 39 2.384 10.691 -1.414 1.00 0.00 O ATOM 621 CB SER A 39 3.390 13.518 -2.531 1.00 0.00 C ATOM 622 OG SER A 39 2.988 13.757 -1.193 1.00 0.00 O ATOM 0 H SER A 39 4.079 12.572 -4.759 1.00 0.00 H new ATOM 0 HA SER A 39 4.639 11.865 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.192 14.207 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.557 13.722 -3.203 1.00 0.00 H new ATOM 0 HG SER A 39 2.692 14.687 -1.102 1.00 0.00 H new ATOM 628 N TRP A 40 2.113 10.690 -3.647 1.00 0.00 N ATOM 629 CA TRP A 40 1.054 9.695 -3.648 1.00 0.00 C ATOM 630 C TRP A 40 1.582 8.428 -4.316 1.00 0.00 C ATOM 631 O TRP A 40 1.783 8.399 -5.531 1.00 0.00 O ATOM 632 CB TRP A 40 -0.169 10.244 -4.395 1.00 0.00 C ATOM 633 CG TRP A 40 -1.465 10.034 -3.670 1.00 0.00 C ATOM 634 CD1 TRP A 40 -1.643 9.933 -2.321 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.767 9.922 -4.254 1.00 0.00 C ATOM 636 NE1 TRP A 40 -2.974 9.744 -2.032 1.00 0.00 N ATOM 637 CE2 TRP A 40 -3.685 9.738 -3.203 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.246 9.956 -5.567 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -5.051 9.587 -3.423 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.602 9.806 -5.785 1.00 0.00 C ATOM 641 CH2 TRP A 40 -5.491 9.625 -4.719 1.00 0.00 C ATOM 0 H TRP A 40 2.347 11.049 -4.573 1.00 0.00 H new ATOM 0 HA TRP A 40 0.747 9.460 -2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.029 11.311 -4.568 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.229 9.768 -5.374 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.853 9.993 -1.587 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.368 9.627 -1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.568 10.097 -6.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.738 9.445 -2.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.983 9.829 -6.795 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -6.546 9.513 -4.923 1.00 0.00 H new ATOM 652 N TRP A 41 1.839 7.402 -3.517 1.00 0.00 N ATOM 653 CA TRP A 41 2.528 6.207 -3.996 1.00 0.00 C ATOM 654 C TRP A 41 1.579 5.236 -4.681 1.00 0.00 C ATOM 655 O TRP A 41 0.442 5.058 -4.248 1.00 0.00 O ATOM 656 CB TRP A 41 3.226 5.496 -2.835 1.00 0.00 C ATOM 657 CG TRP A 41 4.343 6.288 -2.225 1.00 0.00 C ATOM 658 CD1 TRP A 41 4.883 7.443 -2.705 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.063 5.978 -1.025 1.00 0.00 C ATOM 660 NE1 TRP A 41 5.891 7.876 -1.879 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.022 6.991 -0.839 1.00 0.00 C ATOM 662 CE3 TRP A 41 4.988 4.943 -0.089 1.00 0.00 C ATOM 663 CZ2 TRP A 41 6.900 6.998 0.243 1.00 0.00 C ATOM 664 CZ3 TRP A 41 5.858 4.952 0.985 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.802 5.973 1.145 1.00 0.00 C ATOM 0 H TRP A 41 1.581 7.371 -2.531 1.00 0.00 H new ATOM 0 HA TRP A 41 3.265 6.535 -4.729 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.490 5.270 -2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.620 4.543 -3.189 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.564 7.946 -3.606 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.451 8.718 -2.016 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.263 4.150 -0.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.631 7.783 0.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.809 4.157 1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.466 5.952 1.997 1.00 0.00 H new ATOM 676 N ARG A 42 2.053 4.609 -5.753 1.00 0.00 N ATOM 677 CA ARG A 42 1.284 3.572 -6.426 1.00 0.00 C ATOM 678 C ARG A 42 1.628 2.213 -5.843 1.00 0.00 C ATOM 679 O ARG A 42 2.768 1.743 -5.954 1.00 0.00 O ATOM 680 CB ARG A 42 1.538 3.560 -7.930 1.00 0.00 C ATOM 681 CG ARG A 42 0.742 2.477 -8.643 1.00 0.00 C ATOM 682 CD ARG A 42 1.125 2.343 -10.107 1.00 0.00 C ATOM 683 NE ARG A 42 0.711 3.497 -10.903 1.00 0.00 N ATOM 684 CZ ARG A 42 -0.325 3.489 -11.743 1.00 0.00 C ATOM 685 NH1 ARG A 42 -1.070 2.397 -11.884 1.00 0.00 N ATOM 686 NH2 ARG A 42 -0.617 4.573 -12.448 1.00 0.00 N ATOM 0 H ARG A 42 2.963 4.801 -6.172 1.00 0.00 H new ATOM 0 HA ARG A 42 0.228 3.791 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.278 4.533 -8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.601 3.407 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.901 1.523 -8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.322 2.703 -8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.205 2.220 -10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.670 1.441 -10.517 1.00 0.00 H new ATOM 0 HE ARG A 42 1.247 4.360 -10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.851 1.557 -11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.861 2.399 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.049 5.414 -12.348 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.410 4.566 -13.090 1.00 0.00 H new ATOM 700 N VAL A 43 0.646 1.586 -5.225 1.00 0.00 N ATOM 701 CA VAL A 43 0.840 0.287 -4.609 1.00 0.00 C ATOM 702 C VAL A 43 -0.278 -0.674 -4.978 1.00 0.00 C ATOM 703 O VAL A 43 -1.308 -0.275 -5.524 1.00 0.00 O ATOM 704 CB VAL A 43 0.929 0.385 -3.071 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.274 0.957 -2.636 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.209 1.231 -2.528 1.00 0.00 C ATOM 0 H VAL A 43 -0.300 1.958 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 43 1.787 -0.094 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 43 0.842 -0.621 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.310 1.015 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.076 0.311 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.398 1.955 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.132 1.290 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.151 2.234 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.162 0.777 -2.800 1.00 0.00 H new ATOM 716 N ARG A 44 -0.045 -1.943 -4.691 1.00 0.00 N ATOM 717 CA ARG A 44 -1.023 -2.991 -4.909 1.00 0.00 C ATOM 718 C ARG A 44 -1.256 -3.740 -3.603 1.00 0.00 C ATOM 719 O ARG A 44 -0.311 -4.210 -2.977 1.00 0.00 O ATOM 720 CB ARG A 44 -0.527 -3.960 -5.985 1.00 0.00 C ATOM 721 CG ARG A 44 -1.535 -5.042 -6.351 1.00 0.00 C ATOM 722 CD ARG A 44 -0.931 -6.083 -7.283 1.00 0.00 C ATOM 723 NE ARG A 44 0.192 -6.787 -6.660 1.00 0.00 N ATOM 724 CZ ARG A 44 0.962 -7.683 -7.285 1.00 0.00 C ATOM 725 NH1 ARG A 44 0.721 -8.010 -8.553 1.00 0.00 N ATOM 726 NH2 ARG A 44 1.970 -8.252 -6.637 1.00 0.00 N ATOM 0 H ARG A 44 0.835 -2.276 -4.297 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.959 -2.546 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.274 -3.394 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.391 -4.434 -5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.891 -5.529 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.402 -4.585 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.698 -6.803 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.593 -5.598 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 44 0.401 -6.580 -5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.055 -7.576 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.312 -8.694 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.155 -8.005 -5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.560 -8.936 -7.111 1.00 0.00 H new ATOM 740 N ASN A 45 -2.503 -3.832 -3.186 1.00 0.00 N ATOM 741 CA ASN A 45 -2.843 -4.511 -1.940 1.00 0.00 C ATOM 742 C ASN A 45 -2.982 -6.016 -2.182 1.00 0.00 C ATOM 743 O ASN A 45 -2.993 -6.469 -3.326 1.00 0.00 O ATOM 744 CB ASN A 45 -4.146 -3.927 -1.369 1.00 0.00 C ATOM 745 CG ASN A 45 -4.532 -4.492 -0.011 1.00 0.00 C ATOM 746 OD1 ASN A 45 -3.681 -4.944 0.756 1.00 0.00 O ATOM 747 ND2 ASN A 45 -5.817 -4.452 0.304 1.00 0.00 N ATOM 0 H ASN A 45 -3.302 -3.446 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.045 -4.355 -1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.042 -2.845 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.956 -4.115 -2.073 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.132 -4.803 1.209 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.493 -4.070 -0.358 1.00 0.00 H new ATOM 754 N SER A 46 -3.104 -6.774 -1.101 1.00 0.00 N ATOM 755 CA SER A 46 -3.214 -8.229 -1.168 1.00 0.00 C ATOM 756 C SER A 46 -4.535 -8.631 -1.823 1.00 0.00 C ATOM 757 O SER A 46 -4.678 -9.737 -2.335 1.00 0.00 O ATOM 758 CB SER A 46 -3.109 -8.829 0.241 1.00 0.00 C ATOM 759 OG SER A 46 -3.014 -10.246 0.206 1.00 0.00 O ATOM 0 H SER A 46 -3.130 -6.400 -0.152 1.00 0.00 H new ATOM 0 HA SER A 46 -2.396 -8.617 -1.775 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.235 -8.419 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.981 -8.538 0.826 1.00 0.00 H new ATOM 0 HG SER A 46 -2.947 -10.592 1.120 1.00 0.00 H new ATOM 765 N MET A 47 -5.495 -7.708 -1.824 1.00 0.00 N ATOM 766 CA MET A 47 -6.785 -7.940 -2.465 1.00 0.00 C ATOM 767 C MET A 47 -6.669 -7.718 -3.976 1.00 0.00 C ATOM 768 O MET A 47 -7.664 -7.734 -4.699 1.00 0.00 O ATOM 769 CB MET A 47 -7.845 -7.009 -1.859 1.00 0.00 C ATOM 770 CG MET A 47 -9.284 -7.306 -2.278 1.00 0.00 C ATOM 771 SD MET A 47 -9.953 -8.828 -1.559 1.00 0.00 S ATOM 772 CE MET A 47 -9.180 -10.089 -2.570 1.00 0.00 C ATOM 0 H MET A 47 -5.402 -6.791 -1.387 1.00 0.00 H new ATOM 0 HA MET A 47 -7.091 -8.972 -2.292 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.780 -7.068 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.606 -5.982 -2.137 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.918 -6.468 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.329 -7.378 -3.365 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.896 -10.887 -2.767 1.00 0.00 H new ATOM 0 HE2 MET A 47 -8.856 -9.651 -3.514 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.317 -10.498 -2.045 1.00 0.00 H new ATOM 782 N ASN A 48 -5.435 -7.504 -4.435 1.00 0.00 N ATOM 783 CA ASN A 48 -5.116 -7.393 -5.864 1.00 0.00 C ATOM 784 C ASN A 48 -5.676 -6.112 -6.466 1.00 0.00 C ATOM 785 O ASN A 48 -5.699 -5.944 -7.686 1.00 0.00 O ATOM 786 CB ASN A 48 -5.623 -8.617 -6.642 1.00 0.00 C ATOM 787 CG ASN A 48 -5.033 -9.910 -6.120 1.00 0.00 C ATOM 788 OD1 ASN A 48 -3.988 -10.366 -6.583 1.00 0.00 O ATOM 789 ND2 ASN A 48 -5.707 -10.506 -5.152 1.00 0.00 N ATOM 0 H ASN A 48 -4.624 -7.402 -3.826 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.030 -7.357 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.710 -8.663 -6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.372 -8.505 -7.697 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.365 -11.382 -4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.569 -10.090 -4.800 1.00 0.00 H new ATOM 796 N LYS A 49 -6.113 -5.206 -5.609 1.00 0.00 N ATOM 797 CA LYS A 49 -6.572 -3.903 -6.049 1.00 0.00 C ATOM 798 C LYS A 49 -5.366 -3.000 -6.244 1.00 0.00 C ATOM 799 O LYS A 49 -4.309 -3.245 -5.658 1.00 0.00 O ATOM 800 CB LYS A 49 -7.527 -3.293 -5.019 1.00 0.00 C ATOM 801 CG LYS A 49 -8.647 -4.230 -4.588 1.00 0.00 C ATOM 802 CD LYS A 49 -9.512 -4.659 -5.763 1.00 0.00 C ATOM 803 CE LYS A 49 -10.519 -5.722 -5.349 1.00 0.00 C ATOM 804 NZ LYS A 49 -11.377 -6.153 -6.484 1.00 0.00 N ATOM 0 H LYS A 49 -6.159 -5.351 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.112 -4.007 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.956 -2.996 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.965 -2.386 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.219 -5.112 -4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.268 -3.734 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.038 -3.793 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.879 -5.046 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.989 -6.586 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.147 -5.333 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.688 -7.133 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.208 -5.531 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.835 -6.096 -7.370 1.00 0.00 H new ATOM 818 N THR A 50 -5.502 -1.981 -7.073 1.00 0.00 N ATOM 819 CA THR A 50 -4.410 -1.056 -7.306 1.00 0.00 C ATOM 820 C THR A 50 -4.889 0.386 -7.186 1.00 0.00 C ATOM 821 O THR A 50 -6.056 0.685 -7.429 1.00 0.00 O ATOM 822 CB THR A 50 -3.781 -1.267 -8.693 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.756 -2.666 -9.009 1.00 0.00 O ATOM 824 CG2 THR A 50 -2.364 -0.716 -8.722 1.00 0.00 C ATOM 0 H THR A 50 -6.354 -1.774 -7.594 1.00 0.00 H new ATOM 0 HA THR A 50 -3.654 -1.252 -6.545 1.00 0.00 H new ATOM 0 HB THR A 50 -4.383 -0.737 -9.431 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.356 -2.794 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.933 -0.873 -9.711 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.384 0.351 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.758 -1.230 -7.976 1.00 0.00 H new ATOM 832 N GLY A 51 -3.976 1.265 -6.811 1.00 0.00 N ATOM 833 CA GLY A 51 -4.301 2.665 -6.653 1.00 0.00 C ATOM 834 C GLY A 51 -3.150 3.431 -6.044 1.00 0.00 C ATOM 835 O GLY A 51 -2.008 2.965 -6.064 1.00 0.00 O ATOM 0 H GLY A 51 -3.004 1.030 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.553 3.094 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.183 2.767 -6.021 1.00 0.00 H new ATOM 839 N PHE A 52 -3.445 4.599 -5.500 1.00 0.00 N ATOM 840 CA PHE A 52 -2.434 5.428 -4.879 1.00 0.00 C ATOM 841 C PHE A 52 -2.764 5.625 -3.409 1.00 0.00 C ATOM 842 O PHE A 52 -3.935 5.653 -3.026 1.00 0.00 O ATOM 843 CB PHE A 52 -2.337 6.778 -5.584 1.00 0.00 C ATOM 844 CG PHE A 52 -1.833 6.703 -6.998 1.00 0.00 C ATOM 845 CD1 PHE A 52 -2.702 6.471 -8.052 1.00 0.00 C ATOM 846 CD2 PHE A 52 -0.485 6.873 -7.273 1.00 0.00 C ATOM 847 CE1 PHE A 52 -2.237 6.411 -9.352 1.00 0.00 C ATOM 848 CE2 PHE A 52 -0.014 6.815 -8.570 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.891 6.583 -9.611 1.00 0.00 C ATOM 0 H PHE A 52 -4.385 4.994 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.469 4.928 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.322 7.245 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.677 7.428 -5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.755 6.335 -7.855 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.206 7.053 -6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.925 6.230 -10.164 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.039 6.951 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.525 6.536 -10.626 1.00 0.00 H new ATOM 859 N VAL A 53 -1.733 5.749 -2.593 1.00 0.00 N ATOM 860 CA VAL A 53 -1.902 5.874 -1.149 1.00 0.00 C ATOM 861 C VAL A 53 -1.108 7.044 -0.574 1.00 0.00 C ATOM 862 O VAL A 53 -0.065 7.429 -1.111 1.00 0.00 O ATOM 863 CB VAL A 53 -1.480 4.584 -0.419 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.478 3.472 -0.675 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.084 4.161 -0.844 1.00 0.00 C ATOM 0 H VAL A 53 -0.762 5.766 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.964 6.056 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.465 4.787 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.161 2.571 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.461 3.775 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.531 3.270 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.196 3.248 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.070 3.979 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.626 4.952 -0.601 1.00 0.00 H new ATOM 875 N PRO A 54 -1.614 7.626 0.528 1.00 0.00 N ATOM 876 CA PRO A 54 -0.955 8.732 1.237 1.00 0.00 C ATOM 877 C PRO A 54 0.389 8.324 1.833 1.00 0.00 C ATOM 878 O PRO A 54 0.458 7.422 2.668 1.00 0.00 O ATOM 879 CB PRO A 54 -1.943 9.083 2.356 1.00 0.00 C ATOM 880 CG PRO A 54 -2.784 7.861 2.525 1.00 0.00 C ATOM 881 CD PRO A 54 -2.886 7.248 1.162 1.00 0.00 C ATOM 0 HA PRO A 54 -0.733 9.563 0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.421 9.334 3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.551 9.947 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.330 7.168 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.770 8.115 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.004 6.166 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.742 7.635 0.609 1.00 0.00 H new ATOM 889 N SER A 55 1.443 9.029 1.436 1.00 0.00 N ATOM 890 CA SER A 55 2.812 8.703 1.845 1.00 0.00 C ATOM 891 C SER A 55 3.016 8.846 3.359 1.00 0.00 C ATOM 892 O SER A 55 4.026 8.401 3.896 1.00 0.00 O ATOM 893 CB SER A 55 3.803 9.602 1.096 1.00 0.00 C ATOM 894 OG SER A 55 5.147 9.340 1.474 1.00 0.00 O ATOM 0 H SER A 55 1.377 9.842 0.823 1.00 0.00 H new ATOM 0 HA SER A 55 2.991 7.658 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.692 9.449 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.567 10.647 1.296 1.00 0.00 H new ATOM 0 HG SER A 55 5.501 8.604 0.933 1.00 0.00 H new ATOM 900 N ASN A 56 2.070 9.473 4.043 1.00 0.00 N ATOM 901 CA ASN A 56 2.168 9.638 5.492 1.00 0.00 C ATOM 902 C ASN A 56 1.552 8.455 6.233 1.00 0.00 C ATOM 903 O ASN A 56 1.886 8.198 7.388 1.00 0.00 O ATOM 904 CB ASN A 56 1.491 10.937 5.935 1.00 0.00 C ATOM 905 CG ASN A 56 2.437 12.126 5.946 1.00 0.00 C ATOM 906 OD1 ASN A 56 3.459 12.092 5.105 1.00 0.00 O flip ATOM 907 ND2 ASN A 56 2.255 13.066 6.719 1.00 0.00 N flip ATOM 0 H ASN A 56 1.231 9.874 3.625 1.00 0.00 H new ATOM 0 HA ASN A 56 3.228 9.684 5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.656 11.151 5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.075 10.801 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.456 13.058 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.903 13.854 6.726 1.00 0.00 H new ATOM 914 N TYR A 57 0.665 7.730 5.565 1.00 0.00 N ATOM 915 CA TYR A 57 -0.024 6.612 6.193 1.00 0.00 C ATOM 916 C TYR A 57 0.577 5.285 5.756 1.00 0.00 C ATOM 917 O TYR A 57 0.352 4.253 6.387 1.00 0.00 O ATOM 918 CB TYR A 57 -1.517 6.649 5.868 1.00 0.00 C ATOM 919 CG TYR A 57 -2.259 7.783 6.547 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.321 9.046 5.971 1.00 0.00 C ATOM 921 CD2 TYR A 57 -2.894 7.587 7.767 1.00 0.00 C ATOM 922 CE1 TYR A 57 -2.994 10.081 6.592 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.571 8.618 8.392 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.617 9.862 7.801 1.00 0.00 C ATOM 925 OH TYR A 57 -4.288 10.893 8.422 1.00 0.00 O ATOM 0 H TYR A 57 0.407 7.895 4.592 1.00 0.00 H new ATOM 0 HA TYR A 57 0.101 6.705 7.272 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.643 6.738 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.968 5.702 6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.835 9.222 5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.858 6.614 8.235 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.031 11.057 6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.062 8.449 9.339 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.672 10.573 9.265 1.00 0.00 H new ATOM 935 N VAL A 58 1.342 5.313 4.674 1.00 0.00 N ATOM 936 CA VAL A 58 2.012 4.117 4.184 1.00 0.00 C ATOM 937 C VAL A 58 3.525 4.284 4.256 1.00 0.00 C ATOM 938 O VAL A 58 4.044 5.397 4.166 1.00 0.00 O ATOM 939 CB VAL A 58 1.604 3.771 2.733 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.123 3.475 2.642 1.00 0.00 C ATOM 941 CG2 VAL A 58 1.968 4.890 1.779 1.00 0.00 C ATOM 0 H VAL A 58 1.514 6.151 4.119 1.00 0.00 H new ATOM 0 HA VAL A 58 1.700 3.295 4.828 1.00 0.00 H new ATOM 0 HB VAL A 58 2.157 2.877 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.137 3.235 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.119 2.628 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.443 4.349 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.669 4.617 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.453 5.803 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.045 5.056 1.807 1.00 0.00 H new ATOM 951 N GLU A 59 4.218 3.170 4.422 1.00 0.00 N ATOM 952 CA GLU A 59 5.664 3.163 4.561 1.00 0.00 C ATOM 953 C GLU A 59 6.272 2.229 3.526 1.00 0.00 C ATOM 954 O GLU A 59 5.564 1.448 2.887 1.00 0.00 O ATOM 955 CB GLU A 59 6.062 2.690 5.962 1.00 0.00 C ATOM 956 CG GLU A 59 5.418 3.477 7.088 1.00 0.00 C ATOM 957 CD GLU A 59 6.099 4.803 7.357 1.00 0.00 C ATOM 958 OE1 GLU A 59 5.823 5.785 6.638 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.905 4.873 8.309 1.00 0.00 O ATOM 0 H GLU A 59 3.793 2.244 4.464 1.00 0.00 H new ATOM 0 HA GLU A 59 6.035 4.177 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.794 1.639 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.146 2.755 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.371 3.657 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.435 2.877 7.998 1.00 0.00 H new ATOM 966 N ARG A 60 7.577 2.317 3.355 1.00 0.00 N ATOM 967 CA ARG A 60 8.287 1.388 2.499 1.00 0.00 C ATOM 968 C ARG A 60 8.793 0.210 3.327 1.00 0.00 C ATOM 969 O ARG A 60 8.005 -0.519 3.933 1.00 0.00 O ATOM 970 CB ARG A 60 9.437 2.097 1.772 1.00 0.00 C ATOM 971 CG ARG A 60 8.979 2.940 0.590 1.00 0.00 C ATOM 972 CD ARG A 60 10.083 3.858 0.083 1.00 0.00 C ATOM 973 NE ARG A 60 10.372 4.921 1.039 1.00 0.00 N ATOM 974 CZ ARG A 60 10.562 6.197 0.713 1.00 0.00 C ATOM 975 NH1 ARG A 60 10.577 6.582 -0.560 1.00 0.00 N ATOM 976 NH2 ARG A 60 10.755 7.089 1.676 1.00 0.00 N ATOM 0 H ARG A 60 8.166 3.022 3.797 1.00 0.00 H new ATOM 0 HA ARG A 60 7.606 1.006 1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.966 2.735 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.150 1.351 1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.653 2.285 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.116 3.538 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.986 3.276 -0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.786 4.295 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 60 10.433 4.669 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.442 5.895 -1.302 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.724 7.564 -0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.757 6.793 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.902 8.070 1.440 1.00 0.00 H new ATOM 990 N LYS A 61 10.093 0.013 3.343 1.00 0.00 N ATOM 991 CA LYS A 61 10.699 -0.992 4.205 1.00 0.00 C ATOM 992 C LYS A 61 11.075 -0.379 5.548 1.00 0.00 C ATOM 993 O LYS A 61 11.599 0.734 5.607 1.00 0.00 O ATOM 994 CB LYS A 61 11.937 -1.601 3.537 1.00 0.00 C ATOM 995 CG LYS A 61 11.631 -2.491 2.335 1.00 0.00 C ATOM 996 CD LYS A 61 11.171 -3.888 2.747 1.00 0.00 C ATOM 997 CE LYS A 61 9.778 -3.885 3.358 1.00 0.00 C ATOM 998 NZ LYS A 61 9.351 -5.246 3.773 1.00 0.00 N ATOM 0 H LYS A 61 10.756 0.534 2.770 1.00 0.00 H new ATOM 0 HA LYS A 61 9.971 -1.786 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.597 -0.794 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.484 -2.186 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.858 -2.022 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.521 -2.574 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.181 -4.542 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.878 -4.303 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.762 -3.221 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.066 -3.486 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.397 -5.200 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.341 -5.874 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.016 -5.617 4.481 1.00 0.00 H new ATOM 1012 N ASN A 62 10.795 -1.101 6.625 1.00 0.00 N ATOM 1013 CA ASN A 62 11.145 -0.641 7.963 1.00 0.00 C ATOM 1014 C ASN A 62 12.637 -0.836 8.201 1.00 0.00 C ATOM 1015 O ASN A 62 13.201 -1.862 7.818 1.00 0.00 O ATOM 1016 CB ASN A 62 10.331 -1.400 9.022 1.00 0.00 C ATOM 1017 CG ASN A 62 10.643 -0.958 10.445 1.00 0.00 C ATOM 1018 OD1 ASN A 62 10.058 -0.001 10.956 1.00 0.00 O ATOM 1019 ND2 ASN A 62 11.553 -1.664 11.102 1.00 0.00 N ATOM 0 H ASN A 62 10.327 -2.007 6.599 1.00 0.00 H new ATOM 0 HA ASN A 62 10.908 0.420 8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.268 -1.255 8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.529 -2.468 8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.790 -1.421 12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.016 -2.450 10.645 1.00 0.00 H new ATOM 1026 N SER A 63 13.271 0.154 8.812 1.00 0.00 N ATOM 1027 CA SER A 63 14.693 0.080 9.108 1.00 0.00 C ATOM 1028 C SER A 63 14.902 -0.689 10.406 1.00 0.00 C ATOM 1029 O SER A 63 15.145 -1.913 10.344 1.00 0.00 O ATOM 1030 CB SER A 63 15.280 1.491 9.217 1.00 0.00 C ATOM 1031 OG SER A 63 16.699 1.470 9.183 1.00 0.00 O ATOM 0 H SER A 63 12.822 1.019 9.113 1.00 0.00 H new ATOM 0 HA SER A 63 15.206 -0.443 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.905 2.106 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.944 1.955 10.145 1.00 0.00 H new ATOM 0 HG SER A 63 17.041 2.386 9.253 1.00 0.00 H new TER 1037 SER A 63