USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 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 Set 1.1: A 45 ASN : amide:sc= 1.65 K(o=1.7,f=-7.3!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0559 (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+ -171:sc= 0.515 (180deg=0.143) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.636 K(o=0.64,f=0) USER MOD Single : A 19 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.5!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.26) 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 47 MET CE :methyl 162:sc= -0.122 (180deg=-0.68) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0247 F(o=-0.61,f=-0.025) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 55 SER OG : rot 87:sc= 0.503 USER MOD Single : A 56 ASN : amide:sc= 0.0078 X(o=0.0078,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -0.0487 (180deg=-0.269) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.687 -15.624 -14.842 1.00 0.00 N ATOM 2 CA GLY A 1 -0.433 -14.164 -14.856 1.00 0.00 C ATOM 3 C GLY A 1 1.037 -13.851 -14.691 1.00 0.00 C ATOM 4 O GLY A 1 1.793 -14.664 -14.160 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.833 -15.960 -15.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.130 -16.114 -14.425 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.536 -15.823 -14.276 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.792 -13.741 -15.794 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.999 -13.688 -14.055 1.00 0.00 H new ATOM 8 N SER A 2 1.451 -12.681 -15.149 1.00 0.00 N ATOM 9 CA SER A 2 2.843 -12.282 -15.044 1.00 0.00 C ATOM 10 C SER A 2 3.075 -11.521 -13.746 1.00 0.00 C ATOM 11 O SER A 2 2.413 -10.518 -13.475 1.00 0.00 O ATOM 12 CB SER A 2 3.237 -11.418 -16.245 1.00 0.00 C ATOM 13 OG SER A 2 4.617 -11.080 -16.209 1.00 0.00 O ATOM 0 H SER A 2 0.844 -11.993 -15.596 1.00 0.00 H new ATOM 0 HA SER A 2 3.465 -13.177 -15.039 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.016 -11.953 -17.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.638 -10.508 -16.253 1.00 0.00 H new ATOM 0 HG SER A 2 4.839 -10.530 -16.989 1.00 0.00 H new ATOM 19 N MET A 3 4.003 -12.008 -12.938 1.00 0.00 N ATOM 20 CA MET A 3 4.356 -11.334 -11.699 1.00 0.00 C ATOM 21 C MET A 3 5.846 -11.461 -11.435 1.00 0.00 C ATOM 22 O MET A 3 6.367 -12.565 -11.269 1.00 0.00 O ATOM 23 CB MET A 3 3.570 -11.909 -10.517 1.00 0.00 C ATOM 24 CG MET A 3 3.894 -11.226 -9.195 1.00 0.00 C ATOM 25 SD MET A 3 3.022 -11.952 -7.797 1.00 0.00 S ATOM 26 CE MET A 3 3.673 -10.961 -6.455 1.00 0.00 C ATOM 0 H MET A 3 4.525 -12.866 -13.117 1.00 0.00 H new ATOM 0 HA MET A 3 4.099 -10.280 -11.806 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.503 -11.813 -10.717 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.783 -12.974 -10.430 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.968 -11.283 -9.016 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.639 -10.169 -9.266 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.230 -11.287 -5.514 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.755 -11.080 -6.407 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.431 -9.912 -6.626 1.00 0.00 H new ATOM 36 N ALA A 4 6.530 -10.333 -11.416 1.00 0.00 N ATOM 37 CA ALA A 4 7.942 -10.308 -11.077 1.00 0.00 C ATOM 38 C ALA A 4 8.116 -10.403 -9.568 1.00 0.00 C ATOM 39 O ALA A 4 7.132 -10.453 -8.827 1.00 0.00 O ATOM 40 CB ALA A 4 8.592 -9.041 -11.609 1.00 0.00 C ATOM 0 H ALA A 4 6.131 -9.420 -11.632 1.00 0.00 H new ATOM 0 HA ALA A 4 8.431 -11.165 -11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.650 -9.037 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.487 -9.006 -12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.106 -8.170 -11.169 1.00 0.00 H new ATOM 46 N GLU A 5 9.355 -10.429 -9.108 1.00 0.00 N ATOM 47 CA GLU A 5 9.617 -10.490 -7.684 1.00 0.00 C ATOM 48 C GLU A 5 9.469 -9.102 -7.071 1.00 0.00 C ATOM 49 O GLU A 5 10.455 -8.416 -6.778 1.00 0.00 O ATOM 50 CB GLU A 5 11.006 -11.072 -7.394 1.00 0.00 C ATOM 51 CG GLU A 5 11.160 -12.536 -7.797 1.00 0.00 C ATOM 52 CD GLU A 5 11.397 -12.731 -9.283 1.00 0.00 C ATOM 53 OE1 GLU A 5 10.414 -12.843 -10.046 1.00 0.00 O ATOM 54 OE2 GLU A 5 12.575 -12.780 -9.692 1.00 0.00 O ATOM 0 H GLU A 5 10.188 -10.409 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 5 8.886 -11.157 -7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.754 -10.480 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.215 -10.975 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.992 -12.972 -7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.263 -13.082 -7.505 1.00 0.00 H new ATOM 61 N GLU A 6 8.221 -8.683 -6.930 1.00 0.00 N ATOM 62 CA GLU A 6 7.889 -7.371 -6.404 1.00 0.00 C ATOM 63 C GLU A 6 8.078 -7.343 -4.889 1.00 0.00 C ATOM 64 O GLU A 6 7.538 -8.187 -4.170 1.00 0.00 O ATOM 65 CB GLU A 6 6.448 -7.021 -6.790 1.00 0.00 C ATOM 66 CG GLU A 6 6.176 -7.197 -8.283 1.00 0.00 C ATOM 67 CD GLU A 6 4.716 -7.020 -8.663 1.00 0.00 C ATOM 68 OE1 GLU A 6 3.859 -7.745 -8.111 1.00 0.00 O ATOM 69 OE2 GLU A 6 4.424 -6.186 -9.548 1.00 0.00 O ATOM 0 H GLU A 6 7.408 -9.247 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 6 8.557 -6.625 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.762 -7.651 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.241 -5.989 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.777 -6.478 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.504 -8.191 -8.588 1.00 0.00 H new ATOM 76 N VAL A 7 8.861 -6.384 -4.417 1.00 0.00 N ATOM 77 CA VAL A 7 9.170 -6.285 -2.998 1.00 0.00 C ATOM 78 C VAL A 7 8.008 -5.681 -2.217 1.00 0.00 C ATOM 79 O VAL A 7 7.196 -4.926 -2.757 1.00 0.00 O ATOM 80 CB VAL A 7 10.454 -5.471 -2.737 1.00 0.00 C ATOM 81 CG1 VAL A 7 11.676 -6.222 -3.254 1.00 0.00 C ATOM 82 CG2 VAL A 7 10.364 -4.092 -3.375 1.00 0.00 C ATOM 0 H VAL A 7 9.294 -5.664 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 7 9.339 -7.304 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 7 10.559 -5.338 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.573 -5.633 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.756 -7.182 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.574 -6.388 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.282 -3.539 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.230 -4.197 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.516 -3.551 -2.955 1.00 0.00 H new ATOM 92 N VAL A 8 7.945 -6.007 -0.939 1.00 0.00 N ATOM 93 CA VAL A 8 6.815 -5.630 -0.116 1.00 0.00 C ATOM 94 C VAL A 8 7.167 -4.525 0.867 1.00 0.00 C ATOM 95 O VAL A 8 8.229 -4.536 1.495 1.00 0.00 O ATOM 96 CB VAL A 8 6.260 -6.853 0.642 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.268 -6.444 1.718 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.603 -7.803 -0.339 1.00 0.00 C ATOM 0 H VAL A 8 8.667 -6.534 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 8 6.047 -5.245 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 8 7.093 -7.352 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.899 -7.333 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.760 -5.789 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.432 -5.916 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.211 -8.667 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.787 -7.292 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.338 -8.134 -1.072 1.00 0.00 H new ATOM 108 N VAL A 9 6.262 -3.569 0.970 1.00 0.00 N ATOM 109 CA VAL A 9 6.354 -2.490 1.935 1.00 0.00 C ATOM 110 C VAL A 9 5.307 -2.711 3.024 1.00 0.00 C ATOM 111 O VAL A 9 4.585 -3.706 2.993 1.00 0.00 O ATOM 112 CB VAL A 9 6.115 -1.129 1.261 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.298 -0.755 0.381 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.827 -1.172 0.451 1.00 0.00 C ATOM 0 H VAL A 9 5.433 -3.520 0.378 1.00 0.00 H new ATOM 0 HA VAL A 9 7.355 -2.486 2.367 1.00 0.00 H new ATOM 0 HB VAL A 9 6.015 -0.364 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.111 0.211 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.200 -0.695 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.432 -1.513 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.663 -0.205 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.904 -1.944 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.990 -1.398 1.111 1.00 0.00 H new ATOM 124 N VAL A 10 5.196 -1.796 3.970 1.00 0.00 N ATOM 125 CA VAL A 10 4.250 -1.970 5.064 1.00 0.00 C ATOM 126 C VAL A 10 3.584 -0.640 5.416 1.00 0.00 C ATOM 127 O VAL A 10 4.183 0.424 5.275 1.00 0.00 O ATOM 128 CB VAL A 10 4.956 -2.572 6.306 1.00 0.00 C ATOM 129 CG1 VAL A 10 6.030 -1.631 6.835 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.954 -2.932 7.398 1.00 0.00 C ATOM 0 H VAL A 10 5.740 -0.934 4.006 1.00 0.00 H new ATOM 0 HA VAL A 10 3.476 -2.666 4.740 1.00 0.00 H new ATOM 0 HB VAL A 10 5.444 -3.495 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.509 -2.078 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.776 -1.458 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.575 -0.682 7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.483 -3.351 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.416 -2.036 7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.246 -3.666 7.014 1.00 0.00 H new ATOM 140 N ALA A 11 2.340 -0.700 5.853 1.00 0.00 N ATOM 141 CA ALA A 11 1.587 0.495 6.179 1.00 0.00 C ATOM 142 C ALA A 11 1.779 0.900 7.633 1.00 0.00 C ATOM 143 O ALA A 11 1.916 0.050 8.513 1.00 0.00 O ATOM 144 CB ALA A 11 0.125 0.270 5.887 1.00 0.00 C ATOM 0 H ALA A 11 1.827 -1.571 5.991 1.00 0.00 H new ATOM 0 HA ALA A 11 1.961 1.311 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.438 1.170 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.004 0.040 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.242 -0.563 6.487 1.00 0.00 H new ATOM 150 N LYS A 12 1.774 2.200 7.876 1.00 0.00 N ATOM 151 CA LYS A 12 1.973 2.730 9.214 1.00 0.00 C ATOM 152 C LYS A 12 0.636 2.876 9.931 1.00 0.00 C ATOM 153 O LYS A 12 0.499 2.491 11.092 1.00 0.00 O ATOM 154 CB LYS A 12 2.692 4.077 9.139 1.00 0.00 C ATOM 155 CG LYS A 12 3.134 4.627 10.485 1.00 0.00 C ATOM 156 CD LYS A 12 4.004 3.632 11.240 1.00 0.00 C ATOM 157 CE LYS A 12 4.926 4.334 12.223 1.00 0.00 C ATOM 158 NZ LYS A 12 5.898 5.214 11.520 1.00 0.00 N ATOM 0 H LYS A 12 1.633 2.912 7.159 1.00 0.00 H new ATOM 0 HA LYS A 12 2.591 2.034 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.567 3.973 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.032 4.802 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.687 5.554 10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.257 4.872 11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.370 2.925 11.775 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.598 3.055 10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.334 4.927 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.465 3.592 12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.607 5.559 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.372 4.676 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.395 6.023 11.103 1.00 0.00 H new ATOM 172 N PHE A 13 -0.348 3.429 9.232 1.00 0.00 N ATOM 173 CA PHE A 13 -1.685 3.586 9.792 1.00 0.00 C ATOM 174 C PHE A 13 -2.741 3.157 8.787 1.00 0.00 C ATOM 175 O PHE A 13 -2.473 3.072 7.590 1.00 0.00 O ATOM 176 CB PHE A 13 -1.938 5.037 10.215 1.00 0.00 C ATOM 177 CG PHE A 13 -1.044 5.522 11.320 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.207 5.057 12.616 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.046 6.448 11.063 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.388 5.505 13.633 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.773 6.900 12.078 1.00 0.00 C ATOM 182 CZ PHE A 13 0.603 6.427 13.364 1.00 0.00 C ATOM 0 H PHE A 13 -0.246 3.776 8.278 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.750 2.948 10.673 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.808 5.684 9.348 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.976 5.135 10.533 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.983 4.337 12.832 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.093 6.820 10.059 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.523 5.134 14.638 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.547 7.623 11.866 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.245 6.778 14.158 1.00 0.00 H new ATOM 192 N ASP A 14 -3.937 2.879 9.291 1.00 0.00 N ATOM 193 CA ASP A 14 -5.061 2.460 8.458 1.00 0.00 C ATOM 194 C ASP A 14 -5.466 3.547 7.470 1.00 0.00 C ATOM 195 O ASP A 14 -5.632 4.709 7.846 1.00 0.00 O ATOM 196 CB ASP A 14 -6.276 2.121 9.320 1.00 0.00 C ATOM 197 CG ASP A 14 -6.014 1.021 10.322 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.895 -0.145 9.908 1.00 0.00 O ATOM 199 OD2 ASP A 14 -5.935 1.321 11.534 1.00 0.00 O ATOM 0 H ASP A 14 -4.156 2.937 10.285 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.731 1.579 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.596 3.017 9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.100 1.823 8.672 1.00 0.00 H new ATOM 204 N TYR A 15 -5.619 3.168 6.211 1.00 0.00 N ATOM 205 CA TYR A 15 -6.190 4.056 5.210 1.00 0.00 C ATOM 206 C TYR A 15 -7.188 3.299 4.348 1.00 0.00 C ATOM 207 O TYR A 15 -6.813 2.445 3.545 1.00 0.00 O ATOM 208 CB TYR A 15 -5.098 4.680 4.327 1.00 0.00 C ATOM 209 CG TYR A 15 -5.642 5.342 3.076 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.436 6.479 3.158 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.373 4.819 1.812 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.949 7.076 2.021 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.882 5.412 0.673 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.669 6.536 0.783 1.00 0.00 C ATOM 215 OH TYR A 15 -7.177 7.130 -0.348 1.00 0.00 O ATOM 0 H TYR A 15 -5.355 2.249 5.857 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.704 4.864 5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.547 5.418 4.910 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.387 3.906 4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.656 6.904 4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.757 3.936 1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.565 7.959 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.664 4.996 -0.299 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.887 6.629 -1.139 1.00 0.00 H new ATOM 225 N VAL A 16 -8.457 3.620 4.504 1.00 0.00 N ATOM 226 CA VAL A 16 -9.490 2.994 3.702 1.00 0.00 C ATOM 227 C VAL A 16 -9.820 3.883 2.515 1.00 0.00 C ATOM 228 O VAL A 16 -10.088 5.074 2.677 1.00 0.00 O ATOM 229 CB VAL A 16 -10.769 2.719 4.523 1.00 0.00 C ATOM 230 CG1 VAL A 16 -11.788 1.954 3.693 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.432 1.957 5.797 1.00 0.00 C ATOM 0 H VAL A 16 -8.797 4.308 5.176 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.109 2.034 3.355 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.209 3.676 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.681 1.771 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.054 2.540 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.360 1.002 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.345 1.772 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.966 1.006 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.743 2.547 6.402 1.00 0.00 H new ATOM 241 N ALA A 17 -9.787 3.308 1.324 1.00 0.00 N ATOM 242 CA ALA A 17 -10.032 4.055 0.108 1.00 0.00 C ATOM 243 C ALA A 17 -11.531 4.199 -0.100 1.00 0.00 C ATOM 244 O ALA A 17 -12.325 3.556 0.596 1.00 0.00 O ATOM 245 CB ALA A 17 -9.381 3.361 -1.079 1.00 0.00 C ATOM 0 H ALA A 17 -9.591 2.318 1.176 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.592 5.048 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.574 3.934 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.306 3.292 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.797 2.359 -1.188 1.00 0.00 H new ATOM 251 N GLN A 18 -11.926 5.030 -1.041 1.00 0.00 N ATOM 252 CA GLN A 18 -13.336 5.268 -1.266 1.00 0.00 C ATOM 253 C GLN A 18 -13.887 4.285 -2.289 1.00 0.00 C ATOM 254 O GLN A 18 -15.040 3.862 -2.209 1.00 0.00 O ATOM 255 CB GLN A 18 -13.571 6.700 -1.729 1.00 0.00 C ATOM 256 CG GLN A 18 -12.997 7.726 -0.773 1.00 0.00 C ATOM 257 CD GLN A 18 -12.486 8.947 -1.494 1.00 0.00 C ATOM 258 OE1 GLN A 18 -13.172 9.965 -1.610 1.00 0.00 O ATOM 259 NE2 GLN A 18 -11.291 8.819 -2.038 1.00 0.00 N ATOM 0 H GLN A 18 -11.298 5.547 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.862 5.119 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.124 6.837 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.642 6.871 -1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.763 8.022 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.185 7.275 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.763 7.955 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.895 9.584 -2.584 1.00 0.00 H new ATOM 268 N GLN A 19 -13.044 3.925 -3.242 1.00 0.00 N ATOM 269 CA GLN A 19 -13.421 3.014 -4.313 1.00 0.00 C ATOM 270 C GLN A 19 -12.261 2.064 -4.598 1.00 0.00 C ATOM 271 O GLN A 19 -11.125 2.366 -4.251 1.00 0.00 O ATOM 272 CB GLN A 19 -13.778 3.836 -5.558 1.00 0.00 C ATOM 273 CG GLN A 19 -14.384 3.047 -6.710 1.00 0.00 C ATOM 274 CD GLN A 19 -15.730 2.421 -6.378 1.00 0.00 C ATOM 275 OE1 GLN A 19 -15.989 2.015 -5.246 1.00 0.00 O ATOM 276 NE2 GLN A 19 -16.603 2.355 -7.369 1.00 0.00 N ATOM 0 H GLN A 19 -12.080 4.255 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.288 2.420 -4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.479 4.618 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.876 4.333 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.502 3.707 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.690 2.260 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.351 2.702 -8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.528 1.957 -7.208 1.00 0.00 H new ATOM 285 N GLU A 20 -12.531 0.918 -5.211 1.00 0.00 N ATOM 286 CA GLU A 20 -11.466 -0.044 -5.494 1.00 0.00 C ATOM 287 C GLU A 20 -10.555 0.447 -6.628 1.00 0.00 C ATOM 288 O GLU A 20 -9.571 -0.208 -6.972 1.00 0.00 O ATOM 289 CB GLU A 20 -12.026 -1.428 -5.810 1.00 0.00 C ATOM 290 CG GLU A 20 -12.474 -1.597 -7.239 1.00 0.00 C ATOM 291 CD GLU A 20 -13.734 -0.835 -7.561 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.832 -1.356 -7.272 1.00 0.00 O ATOM 293 OE2 GLU A 20 -13.638 0.282 -8.111 1.00 0.00 O ATOM 0 H GLU A 20 -13.461 0.632 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.863 -0.129 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.265 -2.176 -5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.870 -1.626 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.677 -1.266 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.637 -2.656 -7.439 1.00 0.00 H new ATOM 300 N GLN A 21 -10.904 1.596 -7.214 1.00 0.00 N ATOM 301 CA GLN A 21 -10.069 2.238 -8.229 1.00 0.00 C ATOM 302 C GLN A 21 -8.764 2.719 -7.598 1.00 0.00 C ATOM 303 O GLN A 21 -7.744 2.869 -8.273 1.00 0.00 O ATOM 304 CB GLN A 21 -10.809 3.422 -8.865 1.00 0.00 C ATOM 305 CG GLN A 21 -11.080 4.561 -7.895 1.00 0.00 C ATOM 306 CD GLN A 21 -11.786 5.731 -8.548 1.00 0.00 C ATOM 307 OE1 GLN A 21 -12.574 5.560 -9.482 1.00 0.00 O ATOM 308 NE2 GLN A 21 -11.506 6.930 -8.063 1.00 0.00 N ATOM 0 H GLN A 21 -11.764 2.101 -7.000 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.845 1.509 -9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.221 3.800 -9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.756 3.071 -9.274 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.687 4.192 -7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.136 4.903 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.848 7.026 -7.289 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.948 7.758 -8.463 1.00 0.00 H new ATOM 317 N GLU A 22 -8.829 2.972 -6.300 1.00 0.00 N ATOM 318 CA GLU A 22 -7.677 3.365 -5.510 1.00 0.00 C ATOM 319 C GLU A 22 -7.286 2.209 -4.595 1.00 0.00 C ATOM 320 O GLU A 22 -7.937 1.162 -4.599 1.00 0.00 O ATOM 321 CB GLU A 22 -8.008 4.636 -4.707 1.00 0.00 C ATOM 322 CG GLU A 22 -9.494 4.791 -4.412 1.00 0.00 C ATOM 323 CD GLU A 22 -9.861 6.149 -3.850 1.00 0.00 C ATOM 324 OE1 GLU A 22 -9.911 7.117 -4.635 1.00 0.00 O ATOM 325 OE2 GLU A 22 -10.129 6.241 -2.630 1.00 0.00 O ATOM 0 H GLU A 22 -9.693 2.909 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.831 3.593 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.458 4.617 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.662 5.508 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.058 4.622 -5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.798 4.020 -3.704 1.00 0.00 H new ATOM 332 N LEU A 23 -6.244 2.384 -3.801 1.00 0.00 N ATOM 333 CA LEU A 23 -5.738 1.283 -3.002 1.00 0.00 C ATOM 334 C LEU A 23 -6.144 1.470 -1.542 1.00 0.00 C ATOM 335 O LEU A 23 -5.925 2.536 -0.966 1.00 0.00 O ATOM 336 CB LEU A 23 -4.212 1.203 -3.126 1.00 0.00 C ATOM 337 CG LEU A 23 -3.615 -0.206 -2.987 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.626 -0.676 -1.543 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.387 -1.191 -3.850 1.00 0.00 C ATOM 0 H LEU A 23 -5.739 3.264 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.167 0.350 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.921 1.609 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.768 1.845 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.579 -0.160 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.197 -1.676 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.037 0.009 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.652 -0.699 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.954 -2.186 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.430 -1.213 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.331 -0.882 -4.894 1.00 0.00 H new ATOM 351 N ASP A 24 -6.736 0.441 -0.948 1.00 0.00 N ATOM 352 CA ASP A 24 -7.083 0.488 0.466 1.00 0.00 C ATOM 353 C ASP A 24 -6.038 -0.272 1.272 1.00 0.00 C ATOM 354 O ASP A 24 -5.624 -1.373 0.897 1.00 0.00 O ATOM 355 CB ASP A 24 -8.488 -0.083 0.727 1.00 0.00 C ATOM 356 CG ASP A 24 -8.523 -1.598 0.811 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.441 -2.263 -0.243 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.650 -2.131 1.936 1.00 0.00 O ATOM 0 H ASP A 24 -6.984 -0.429 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.096 1.532 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.873 0.333 1.658 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.157 0.244 -0.069 1.00 0.00 H new ATOM 363 N ILE A 25 -5.591 0.321 2.362 1.00 0.00 N ATOM 364 CA ILE A 25 -4.533 -0.272 3.158 1.00 0.00 C ATOM 365 C ILE A 25 -4.939 -0.334 4.629 1.00 0.00 C ATOM 366 O ILE A 25 -5.880 0.336 5.055 1.00 0.00 O ATOM 367 CB ILE A 25 -3.197 0.498 3.001 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.274 1.904 3.600 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.809 0.594 1.536 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.239 2.134 4.668 1.00 0.00 C ATOM 0 H ILE A 25 -5.943 1.211 2.716 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.377 -1.286 2.791 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.438 -0.063 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.143 2.641 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.267 2.062 4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.869 1.138 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.691 -0.408 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.589 1.122 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.338 3.147 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.385 1.417 5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.243 2.005 4.244 1.00 0.00 H new ATOM 382 N LYS A 26 -4.237 -1.146 5.398 1.00 0.00 N ATOM 383 CA LYS A 26 -4.547 -1.326 6.809 1.00 0.00 C ATOM 384 C LYS A 26 -3.292 -1.054 7.628 1.00 0.00 C ATOM 385 O LYS A 26 -2.185 -1.210 7.120 1.00 0.00 O ATOM 386 CB LYS A 26 -5.034 -2.760 7.055 1.00 0.00 C ATOM 387 CG LYS A 26 -5.809 -2.938 8.348 1.00 0.00 C ATOM 388 CD LYS A 26 -7.239 -2.448 8.203 1.00 0.00 C ATOM 389 CE LYS A 26 -7.971 -2.453 9.533 1.00 0.00 C ATOM 390 NZ LYS A 26 -9.425 -2.198 9.361 1.00 0.00 N ATOM 0 H LYS A 26 -3.443 -1.695 5.069 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.335 -0.634 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.665 -3.066 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.173 -3.428 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.809 -3.990 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.314 -2.391 9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.238 -1.439 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.771 -3.081 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.826 -3.415 10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.543 -1.693 10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.892 -2.209 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.564 -1.269 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.838 -2.937 8.758 1.00 0.00 H new ATOM 404 N LYS A 27 -3.456 -0.643 8.880 1.00 0.00 N ATOM 405 CA LYS A 27 -2.316 -0.383 9.747 1.00 0.00 C ATOM 406 C LYS A 27 -1.467 -1.638 9.905 1.00 0.00 C ATOM 407 O LYS A 27 -1.989 -2.716 10.199 1.00 0.00 O ATOM 408 CB LYS A 27 -2.782 0.092 11.119 1.00 0.00 C ATOM 409 CG LYS A 27 -1.640 0.297 12.100 1.00 0.00 C ATOM 410 CD LYS A 27 -2.140 0.523 13.509 1.00 0.00 C ATOM 411 CE LYS A 27 -0.983 0.689 14.477 1.00 0.00 C ATOM 412 NZ LYS A 27 -1.443 0.701 15.887 1.00 0.00 N ATOM 0 H LYS A 27 -4.365 -0.483 9.315 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.714 0.400 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.328 1.028 11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.480 -0.637 11.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.986 -0.575 12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.041 1.152 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.772 1.411 13.536 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.760 -0.319 13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.270 -0.123 14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.456 1.618 14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.625 0.816 16.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.104 1.491 16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.923 -0.196 16.103 1.00 0.00 H new ATOM 426 N ASN A 28 -0.163 -1.484 9.684 1.00 0.00 N ATOM 427 CA ASN A 28 0.805 -2.575 9.843 1.00 0.00 C ATOM 428 C ASN A 28 0.591 -3.657 8.781 1.00 0.00 C ATOM 429 O ASN A 28 1.137 -4.755 8.869 1.00 0.00 O ATOM 430 CB ASN A 28 0.712 -3.163 11.263 1.00 0.00 C ATOM 431 CG ASN A 28 1.892 -4.054 11.634 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.921 -3.571 12.104 1.00 0.00 O ATOM 433 ND2 ASN A 28 1.742 -5.357 11.447 1.00 0.00 N ATOM 0 H ASN A 28 0.255 -0.601 9.390 1.00 0.00 H new ATOM 0 HA ASN A 28 1.808 -2.173 9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.644 -2.346 11.982 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.209 -3.740 11.349 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.496 -5.998 11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.873 -5.719 11.054 1.00 0.00 H new ATOM 440 N GLU A 29 -0.176 -3.334 7.751 1.00 0.00 N ATOM 441 CA GLU A 29 -0.444 -4.293 6.692 1.00 0.00 C ATOM 442 C GLU A 29 0.592 -4.138 5.591 1.00 0.00 C ATOM 443 O GLU A 29 1.139 -3.056 5.393 1.00 0.00 O ATOM 444 CB GLU A 29 -1.852 -4.104 6.126 1.00 0.00 C ATOM 445 CG GLU A 29 -2.268 -5.195 5.153 1.00 0.00 C ATOM 446 CD GLU A 29 -2.351 -6.559 5.809 1.00 0.00 C ATOM 447 OE1 GLU A 29 -3.439 -6.913 6.312 1.00 0.00 O ATOM 448 OE2 GLU A 29 -1.333 -7.289 5.825 1.00 0.00 O ATOM 0 H GLU A 29 -0.620 -2.424 7.627 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.382 -5.299 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.565 -4.073 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.905 -3.139 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.237 -4.943 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.554 -5.234 4.330 1.00 0.00 H new ATOM 455 N ARG A 30 0.863 -5.217 4.891 1.00 0.00 N ATOM 456 CA ARG A 30 1.864 -5.211 3.841 1.00 0.00 C ATOM 457 C ARG A 30 1.239 -4.793 2.515 1.00 0.00 C ATOM 458 O ARG A 30 0.106 -5.159 2.211 1.00 0.00 O ATOM 459 CB ARG A 30 2.474 -6.602 3.704 1.00 0.00 C ATOM 460 CG ARG A 30 1.550 -7.581 3.008 1.00 0.00 C ATOM 461 CD ARG A 30 1.507 -8.917 3.719 1.00 0.00 C ATOM 462 NE ARG A 30 0.769 -8.828 4.979 1.00 0.00 N ATOM 463 CZ ARG A 30 1.054 -9.530 6.071 1.00 0.00 C ATOM 464 NH1 ARG A 30 2.088 -10.367 6.085 1.00 0.00 N ATOM 465 NH2 ARG A 30 0.299 -9.379 7.151 1.00 0.00 N ATOM 0 H ARG A 30 0.402 -6.116 5.029 1.00 0.00 H new ATOM 0 HA ARG A 30 2.644 -4.496 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.408 -6.531 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.722 -6.984 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.545 -7.162 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.883 -7.727 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.039 -9.660 3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.523 -9.260 3.914 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.019 -8.182 5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.669 -10.474 5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.300 -10.902 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.488 -8.731 7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.506 -9.911 7.996 1.00 0.00 H new ATOM 479 N LEU A 31 1.972 -4.012 1.739 1.00 0.00 N ATOM 480 CA LEU A 31 1.548 -3.657 0.396 1.00 0.00 C ATOM 481 C LEU A 31 2.681 -3.946 -0.574 1.00 0.00 C ATOM 482 O LEU A 31 3.820 -4.156 -0.165 1.00 0.00 O ATOM 483 CB LEU A 31 1.156 -2.174 0.271 1.00 0.00 C ATOM 484 CG LEU A 31 -0.071 -1.711 1.065 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.192 -2.731 0.968 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.286 -1.413 2.518 1.00 0.00 C ATOM 0 H LEU A 31 2.867 -3.611 2.018 1.00 0.00 H new ATOM 0 HA LEU A 31 0.665 -4.253 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.009 -1.570 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.980 -1.957 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.425 -0.780 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.052 -2.382 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.477 -2.860 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.852 -3.685 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.606 -1.087 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.682 -2.314 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.038 -0.625 2.554 1.00 0.00 H new ATOM 498 N TRP A 32 2.369 -3.948 -1.851 1.00 0.00 N ATOM 499 CA TRP A 32 3.382 -4.104 -2.882 1.00 0.00 C ATOM 500 C TRP A 32 3.647 -2.761 -3.535 1.00 0.00 C ATOM 501 O TRP A 32 2.760 -2.180 -4.151 1.00 0.00 O ATOM 502 CB TRP A 32 2.947 -5.128 -3.936 1.00 0.00 C ATOM 503 CG TRP A 32 3.099 -6.554 -3.498 1.00 0.00 C ATOM 504 CD1 TRP A 32 4.149 -7.379 -3.775 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.176 -7.327 -2.716 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.942 -8.614 -3.213 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.741 -8.608 -2.555 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.934 -7.064 -2.133 1.00 0.00 C ATOM 509 CZ2 TRP A 32 2.105 -9.618 -1.839 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.303 -8.067 -1.422 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.891 -9.331 -1.279 1.00 0.00 C ATOM 0 H TRP A 32 1.418 -3.843 -2.206 1.00 0.00 H new ATOM 0 HA TRP A 32 4.297 -4.472 -2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.904 -4.947 -4.195 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.532 -4.972 -4.842 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.018 -7.101 -4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.580 -9.408 -3.275 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.474 -6.092 -2.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.554 -10.594 -1.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.658 -7.874 -0.969 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.375 -10.094 -0.715 1.00 0.00 H new ATOM 522 N LEU A 33 4.860 -2.261 -3.382 1.00 0.00 N ATOM 523 CA LEU A 33 5.195 -0.938 -3.875 1.00 0.00 C ATOM 524 C LEU A 33 5.766 -1.015 -5.278 1.00 0.00 C ATOM 525 O LEU A 33 6.831 -1.594 -5.498 1.00 0.00 O ATOM 526 CB LEU A 33 6.184 -0.247 -2.934 1.00 0.00 C ATOM 527 CG LEU A 33 6.567 1.182 -3.326 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.323 2.035 -3.501 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.479 1.792 -2.277 1.00 0.00 C ATOM 0 H LEU A 33 5.628 -2.750 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 33 4.279 -0.347 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.756 -0.229 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.092 -0.848 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 33 7.102 1.148 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.613 3.048 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.697 1.608 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.765 2.062 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.742 2.808 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.965 1.813 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.385 1.193 -2.190 1.00 0.00 H new ATOM 541 N LEU A 34 5.048 -0.430 -6.220 1.00 0.00 N ATOM 542 CA LEU A 34 5.478 -0.429 -7.604 1.00 0.00 C ATOM 543 C LEU A 34 6.278 0.832 -7.901 1.00 0.00 C ATOM 544 O LEU A 34 7.422 0.761 -8.354 1.00 0.00 O ATOM 545 CB LEU A 34 4.278 -0.534 -8.560 1.00 0.00 C ATOM 546 CG LEU A 34 3.406 -1.790 -8.411 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.264 -3.013 -8.133 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.359 -1.605 -7.322 1.00 0.00 C ATOM 0 H LEU A 34 4.164 0.050 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 34 6.112 -1.301 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.646 0.342 -8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.650 -0.493 -9.584 1.00 0.00 H new ATOM 0 HG LEU A 34 2.883 -1.948 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.625 -3.890 -8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.960 -3.165 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.824 -2.863 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.757 -2.510 -7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.854 -1.410 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.715 -0.763 -7.575 1.00 0.00 H new ATOM 560 N ASP A 35 5.676 1.983 -7.625 1.00 0.00 N ATOM 561 CA ASP A 35 6.321 3.269 -7.877 1.00 0.00 C ATOM 562 C ASP A 35 5.893 4.309 -6.850 1.00 0.00 C ATOM 563 O ASP A 35 4.710 4.629 -6.726 1.00 0.00 O ATOM 564 CB ASP A 35 6.003 3.787 -9.286 1.00 0.00 C ATOM 565 CG ASP A 35 6.902 3.197 -10.358 1.00 0.00 C ATOM 566 OD1 ASP A 35 8.020 3.721 -10.554 1.00 0.00 O ATOM 567 OD2 ASP A 35 6.487 2.227 -11.025 1.00 0.00 O ATOM 0 H ASP A 35 4.740 2.053 -7.226 1.00 0.00 H new ATOM 0 HA ASP A 35 7.396 3.107 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.965 3.557 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.100 4.873 -9.297 1.00 0.00 H new ATOM 572 N ASP A 36 6.864 4.833 -6.120 1.00 0.00 N ATOM 573 CA ASP A 36 6.637 5.914 -5.174 1.00 0.00 C ATOM 574 C ASP A 36 7.059 7.234 -5.814 1.00 0.00 C ATOM 575 O ASP A 36 7.948 7.940 -5.333 1.00 0.00 O ATOM 576 CB ASP A 36 7.403 5.658 -3.867 1.00 0.00 C ATOM 577 CG ASP A 36 8.893 5.452 -4.078 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.274 4.553 -4.856 1.00 0.00 O ATOM 579 OD2 ASP A 36 9.693 6.185 -3.464 1.00 0.00 O ATOM 0 H ASP A 36 7.834 4.520 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 36 5.577 5.965 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.251 6.501 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.987 4.778 -3.376 1.00 0.00 H new ATOM 584 N SER A 37 6.406 7.538 -6.930 1.00 0.00 N ATOM 585 CA SER A 37 6.729 8.705 -7.748 1.00 0.00 C ATOM 586 C SER A 37 6.656 10.008 -6.951 1.00 0.00 C ATOM 587 O SER A 37 7.488 10.899 -7.132 1.00 0.00 O ATOM 588 CB SER A 37 5.778 8.766 -8.951 1.00 0.00 C ATOM 589 OG SER A 37 6.084 9.851 -9.813 1.00 0.00 O ATOM 0 H SER A 37 5.634 6.981 -7.296 1.00 0.00 H new ATOM 0 HA SER A 37 7.758 8.597 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.838 7.831 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.751 8.861 -8.598 1.00 0.00 H new ATOM 0 HG SER A 37 5.459 9.856 -10.567 1.00 0.00 H new ATOM 595 N LYS A 38 5.674 10.116 -6.069 1.00 0.00 N ATOM 596 CA LYS A 38 5.463 11.340 -5.308 1.00 0.00 C ATOM 597 C LYS A 38 4.899 10.980 -3.936 1.00 0.00 C ATOM 598 O LYS A 38 5.122 9.872 -3.454 1.00 0.00 O ATOM 599 CB LYS A 38 4.503 12.257 -6.079 1.00 0.00 C ATOM 600 CG LYS A 38 4.632 13.734 -5.731 1.00 0.00 C ATOM 601 CD LYS A 38 3.750 14.602 -6.620 1.00 0.00 C ATOM 602 CE LYS A 38 2.271 14.338 -6.387 1.00 0.00 C ATOM 603 NZ LYS A 38 1.418 15.171 -7.271 1.00 0.00 N ATOM 0 H LYS A 38 5.009 9.370 -5.862 1.00 0.00 H new ATOM 0 HA LYS A 38 6.405 11.871 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.678 12.131 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.479 11.938 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.359 13.887 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.672 14.043 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.965 15.653 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.992 14.413 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.057 13.284 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.025 14.543 -5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.416 14.963 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.604 16.177 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.635 14.957 -8.265 1.00 0.00 H new ATOM 617 N SER A 39 4.179 11.903 -3.306 1.00 0.00 N ATOM 618 CA SER A 39 3.503 11.619 -2.044 1.00 0.00 C ATOM 619 C SER A 39 2.395 10.589 -2.258 1.00 0.00 C ATOM 620 O SER A 39 1.882 9.994 -1.311 1.00 0.00 O ATOM 621 CB SER A 39 2.933 12.910 -1.455 1.00 0.00 C ATOM 622 OG SER A 39 3.955 13.885 -1.311 1.00 0.00 O ATOM 0 H SER A 39 4.048 12.855 -3.649 1.00 0.00 H new ATOM 0 HA SER A 39 4.224 11.205 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.144 13.294 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.479 12.705 -0.486 1.00 0.00 H new ATOM 0 HG SER A 39 3.574 14.706 -0.935 1.00 0.00 H new ATOM 628 N TRP A 40 2.033 10.399 -3.517 1.00 0.00 N ATOM 629 CA TRP A 40 1.105 9.353 -3.905 1.00 0.00 C ATOM 630 C TRP A 40 1.893 8.100 -4.271 1.00 0.00 C ATOM 631 O TRP A 40 2.604 8.082 -5.281 1.00 0.00 O ATOM 632 CB TRP A 40 0.275 9.793 -5.115 1.00 0.00 C ATOM 633 CG TRP A 40 -0.648 10.956 -4.874 1.00 0.00 C ATOM 634 CD1 TRP A 40 -0.597 11.868 -3.855 1.00 0.00 C ATOM 635 CD2 TRP A 40 -1.760 11.333 -5.692 1.00 0.00 C ATOM 636 NE1 TRP A 40 -1.612 12.783 -3.992 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.340 12.475 -5.110 1.00 0.00 C ATOM 638 CE3 TRP A 40 -2.324 10.815 -6.860 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.453 13.104 -5.658 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -3.428 11.441 -7.402 1.00 0.00 C ATOM 641 CH2 TRP A 40 -3.982 12.576 -6.801 1.00 0.00 C ATOM 0 H TRP A 40 2.374 10.964 -4.295 1.00 0.00 H new ATOM 0 HA TRP A 40 0.433 9.149 -3.071 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.955 10.053 -5.926 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.318 8.944 -5.456 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.134 11.868 -3.060 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.794 13.565 -3.363 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.903 9.939 -7.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.884 13.980 -5.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.871 11.048 -8.305 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.846 13.044 -7.250 1.00 0.00 H new ATOM 652 N TRP A 41 1.789 7.069 -3.453 1.00 0.00 N ATOM 653 CA TRP A 41 2.511 5.828 -3.701 1.00 0.00 C ATOM 654 C TRP A 41 1.623 4.831 -4.430 1.00 0.00 C ATOM 655 O TRP A 41 0.523 4.518 -3.972 1.00 0.00 O ATOM 656 CB TRP A 41 3.004 5.216 -2.387 1.00 0.00 C ATOM 657 CG TRP A 41 4.121 5.978 -1.737 1.00 0.00 C ATOM 658 CD1 TRP A 41 4.514 7.260 -1.998 1.00 0.00 C ATOM 659 CD2 TRP A 41 4.992 5.498 -0.708 1.00 0.00 C ATOM 660 NE1 TRP A 41 5.574 7.602 -1.197 1.00 0.00 N ATOM 661 CE2 TRP A 41 5.884 6.537 -0.395 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.100 4.288 -0.018 1.00 0.00 C ATOM 663 CZ2 TRP A 41 6.872 6.406 0.575 1.00 0.00 C ATOM 664 CZ3 TRP A 41 6.082 4.157 0.944 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.955 5.212 1.233 1.00 0.00 C ATOM 0 H TRP A 41 1.213 7.063 -2.611 1.00 0.00 H new ATOM 0 HA TRP A 41 3.373 6.060 -4.326 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.167 5.154 -1.691 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.337 4.195 -2.576 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.057 7.910 -2.729 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.053 8.503 -1.199 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.428 3.470 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.548 7.218 0.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.178 3.225 1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.711 5.079 1.993 1.00 0.00 H new ATOM 676 N ARG A 42 2.092 4.340 -5.569 1.00 0.00 N ATOM 677 CA ARG A 42 1.353 3.329 -6.308 1.00 0.00 C ATOM 678 C ARG A 42 1.648 1.959 -5.728 1.00 0.00 C ATOM 679 O ARG A 42 2.743 1.419 -5.904 1.00 0.00 O ATOM 680 CB ARG A 42 1.716 3.339 -7.789 1.00 0.00 C ATOM 681 CG ARG A 42 0.793 2.475 -8.637 1.00 0.00 C ATOM 682 CD ARG A 42 1.519 1.863 -9.826 1.00 0.00 C ATOM 683 NE ARG A 42 2.153 2.863 -10.679 1.00 0.00 N ATOM 684 CZ ARG A 42 3.221 2.620 -11.437 1.00 0.00 C ATOM 685 NH1 ARG A 42 3.727 1.393 -11.507 1.00 0.00 N ATOM 686 NH2 ARG A 42 3.768 3.593 -12.145 1.00 0.00 N ATOM 0 H ARG A 42 2.973 4.623 -5.998 1.00 0.00 H new ATOM 0 HA ARG A 42 0.291 3.556 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.684 4.364 -8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.742 2.989 -7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.372 1.680 -8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.042 3.078 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.277 1.168 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.811 1.283 -10.418 1.00 0.00 H new ATOM 0 HE ARG A 42 1.755 3.802 -10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.297 0.633 -10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.545 1.211 -12.089 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.372 4.533 -12.112 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.586 3.404 -12.725 1.00 0.00 H new ATOM 700 N VAL A 43 0.677 1.412 -5.026 1.00 0.00 N ATOM 701 CA VAL A 43 0.841 0.128 -4.376 1.00 0.00 C ATOM 702 C VAL A 43 -0.284 -0.820 -4.732 1.00 0.00 C ATOM 703 O VAL A 43 -1.350 -0.403 -5.182 1.00 0.00 O ATOM 704 CB VAL A 43 0.899 0.259 -2.845 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.251 0.796 -2.400 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.226 1.151 -2.357 1.00 0.00 C ATOM 0 H VAL A 43 -0.239 1.840 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 43 1.789 -0.272 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 43 0.773 -0.730 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.269 0.880 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.038 0.115 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.416 1.778 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.177 1.238 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.127 2.140 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.184 0.718 -2.643 1.00 0.00 H new ATOM 716 N ARG A 44 -0.028 -2.093 -4.521 1.00 0.00 N ATOM 717 CA ARG A 44 -1.012 -3.129 -4.740 1.00 0.00 C ATOM 718 C ARG A 44 -1.171 -3.950 -3.469 1.00 0.00 C ATOM 719 O ARG A 44 -0.184 -4.351 -2.861 1.00 0.00 O ATOM 720 CB ARG A 44 -0.578 -4.026 -5.897 1.00 0.00 C ATOM 721 CG ARG A 44 -1.607 -5.078 -6.268 1.00 0.00 C ATOM 722 CD ARG A 44 -1.096 -5.996 -7.364 1.00 0.00 C ATOM 723 NE ARG A 44 -0.768 -5.257 -8.586 1.00 0.00 N ATOM 724 CZ ARG A 44 0.389 -5.363 -9.238 1.00 0.00 C ATOM 725 NH1 ARG A 44 1.341 -6.172 -8.785 1.00 0.00 N ATOM 726 NH2 ARG A 44 0.590 -4.666 -10.347 1.00 0.00 N ATOM 0 H ARG A 44 0.873 -2.439 -4.191 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.969 -2.673 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.373 -3.406 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.356 -4.521 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.860 -5.668 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.524 -4.590 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.211 -6.525 -7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.851 -6.750 -7.587 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.471 -4.620 -8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.187 -6.715 -7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.225 -6.250 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.141 -4.049 -10.701 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.476 -4.747 -10.847 1.00 0.00 H new ATOM 740 N ASN A 45 -2.406 -4.162 -3.053 1.00 0.00 N ATOM 741 CA ASN A 45 -2.687 -4.994 -1.887 1.00 0.00 C ATOM 742 C ASN A 45 -3.007 -6.414 -2.371 1.00 0.00 C ATOM 743 O ASN A 45 -3.021 -6.667 -3.576 1.00 0.00 O ATOM 744 CB ASN A 45 -3.876 -4.406 -1.106 1.00 0.00 C ATOM 745 CG ASN A 45 -3.914 -4.818 0.359 1.00 0.00 C ATOM 746 OD1 ASN A 45 -3.421 -5.877 0.737 1.00 0.00 O ATOM 747 ND2 ASN A 45 -4.516 -3.983 1.193 1.00 0.00 N ATOM 0 H ASN A 45 -3.234 -3.771 -3.502 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.824 -5.023 -1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.836 -3.318 -1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.804 -4.718 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.581 -4.212 2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.914 -3.112 0.843 1.00 0.00 H new ATOM 754 N SER A 46 -3.291 -7.329 -1.451 1.00 0.00 N ATOM 755 CA SER A 46 -3.610 -8.708 -1.809 1.00 0.00 C ATOM 756 C SER A 46 -4.981 -8.806 -2.489 1.00 0.00 C ATOM 757 O SER A 46 -5.368 -9.862 -2.989 1.00 0.00 O ATOM 758 CB SER A 46 -3.559 -9.597 -0.563 1.00 0.00 C ATOM 759 OG SER A 46 -4.240 -8.993 0.523 1.00 0.00 O ATOM 0 H SER A 46 -3.307 -7.141 -0.449 1.00 0.00 H new ATOM 0 HA SER A 46 -2.864 -9.057 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.008 -10.565 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.521 -9.783 -0.287 1.00 0.00 H new ATOM 0 HG SER A 46 -4.194 -9.581 1.306 1.00 0.00 H new ATOM 765 N MET A 47 -5.711 -7.697 -2.503 1.00 0.00 N ATOM 766 CA MET A 47 -7.023 -7.634 -3.140 1.00 0.00 C ATOM 767 C MET A 47 -6.883 -7.502 -4.659 1.00 0.00 C ATOM 768 O MET A 47 -7.869 -7.304 -5.367 1.00 0.00 O ATOM 769 CB MET A 47 -7.814 -6.451 -2.568 1.00 0.00 C ATOM 770 CG MET A 47 -9.279 -6.409 -2.983 1.00 0.00 C ATOM 771 SD MET A 47 -10.206 -7.855 -2.434 1.00 0.00 S ATOM 772 CE MET A 47 -9.998 -7.739 -0.658 1.00 0.00 C ATOM 0 H MET A 47 -5.413 -6.820 -2.076 1.00 0.00 H new ATOM 0 HA MET A 47 -7.562 -8.559 -2.932 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.759 -6.486 -1.480 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.334 -5.524 -2.882 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.741 -5.511 -2.574 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.342 -6.334 -4.069 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.753 -8.350 -0.163 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.005 -8.096 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 47 -10.109 -6.701 -0.346 1.00 0.00 H new ATOM 782 N ASN A 48 -5.640 -7.605 -5.143 1.00 0.00 N ATOM 783 CA ASN A 48 -5.316 -7.560 -6.580 1.00 0.00 C ATOM 784 C ASN A 48 -5.409 -6.144 -7.122 1.00 0.00 C ATOM 785 O ASN A 48 -4.839 -5.828 -8.166 1.00 0.00 O ATOM 786 CB ASN A 48 -6.231 -8.469 -7.412 1.00 0.00 C ATOM 787 CG ASN A 48 -6.265 -9.903 -6.912 1.00 0.00 C ATOM 788 OD1 ASN A 48 -7.228 -10.208 -6.057 1.00 0.00 O flip ATOM 789 ND2 ASN A 48 -5.442 -10.735 -7.302 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.821 -7.723 -4.546 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.291 -7.921 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.243 -8.063 -7.401 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.895 -8.460 -8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.714 -10.462 -7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.490 -11.696 -6.965 1.00 0.00 H new ATOM 796 N LYS A 49 -6.138 -5.301 -6.413 1.00 0.00 N ATOM 797 CA LYS A 49 -6.362 -3.932 -6.834 1.00 0.00 C ATOM 798 C LYS A 49 -5.107 -3.095 -6.654 1.00 0.00 C ATOM 799 O LYS A 49 -4.198 -3.473 -5.917 1.00 0.00 O ATOM 800 CB LYS A 49 -7.522 -3.329 -6.037 1.00 0.00 C ATOM 801 CG LYS A 49 -8.828 -4.108 -6.164 1.00 0.00 C ATOM 802 CD LYS A 49 -9.251 -4.301 -7.618 1.00 0.00 C ATOM 803 CE LYS A 49 -9.307 -2.978 -8.356 1.00 0.00 C ATOM 804 NZ LYS A 49 -9.970 -3.089 -9.681 1.00 0.00 N ATOM 0 H LYS A 49 -6.590 -5.546 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.616 -3.932 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.241 -3.279 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.687 -2.305 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.714 -5.082 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.616 -3.581 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.549 -4.969 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.229 -4.781 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.841 -2.249 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.294 -2.599 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.981 -2.157 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.447 -3.763 -10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.946 -3.424 -9.554 1.00 0.00 H new ATOM 818 N THR A 50 -5.071 -1.957 -7.323 1.00 0.00 N ATOM 819 CA THR A 50 -3.923 -1.075 -7.275 1.00 0.00 C ATOM 820 C THR A 50 -4.401 0.369 -7.275 1.00 0.00 C ATOM 821 O THR A 50 -5.495 0.664 -7.753 1.00 0.00 O ATOM 822 CB THR A 50 -2.986 -1.294 -8.479 1.00 0.00 C ATOM 823 OG1 THR A 50 -2.828 -2.693 -8.746 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.624 -0.678 -8.217 1.00 0.00 C ATOM 0 H THR A 50 -5.833 -1.621 -7.912 1.00 0.00 H new ATOM 0 HA THR A 50 -3.365 -1.297 -6.365 1.00 0.00 H new ATOM 0 HB THR A 50 -3.437 -0.811 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.232 -2.814 -9.514 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.978 -0.844 -9.079 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.736 0.393 -8.048 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.179 -1.140 -7.336 1.00 0.00 H new ATOM 832 N GLY A 51 -3.585 1.253 -6.739 1.00 0.00 N ATOM 833 CA GLY A 51 -3.940 2.651 -6.690 1.00 0.00 C ATOM 834 C GLY A 51 -2.869 3.476 -6.021 1.00 0.00 C ATOM 835 O GLY A 51 -1.752 3.000 -5.821 1.00 0.00 O ATOM 0 H GLY A 51 -2.677 1.027 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.105 3.020 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.880 2.769 -6.151 1.00 0.00 H new ATOM 839 N PHE A 52 -3.210 4.703 -5.666 1.00 0.00 N ATOM 840 CA PHE A 52 -2.267 5.593 -5.012 1.00 0.00 C ATOM 841 C PHE A 52 -2.656 5.792 -3.557 1.00 0.00 C ATOM 842 O PHE A 52 -3.802 6.115 -3.250 1.00 0.00 O ATOM 843 CB PHE A 52 -2.207 6.943 -5.731 1.00 0.00 C ATOM 844 CG PHE A 52 -1.662 6.860 -7.132 1.00 0.00 C ATOM 845 CD1 PHE A 52 -0.294 6.825 -7.356 1.00 0.00 C ATOM 846 CD2 PHE A 52 -2.516 6.818 -8.222 1.00 0.00 C ATOM 847 CE1 PHE A 52 0.210 6.747 -8.641 1.00 0.00 C ATOM 848 CE2 PHE A 52 -2.019 6.740 -9.509 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.652 6.704 -9.719 1.00 0.00 C ATOM 0 H PHE A 52 -4.134 5.106 -5.820 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.278 5.136 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.209 7.371 -5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.588 7.627 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.385 6.859 -6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.584 6.847 -8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.278 6.720 -8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.696 6.707 -10.349 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.260 6.642 -10.723 1.00 0.00 H new ATOM 859 N VAL A 53 -1.708 5.569 -2.667 1.00 0.00 N ATOM 860 CA VAL A 53 -1.941 5.745 -1.245 1.00 0.00 C ATOM 861 C VAL A 53 -1.114 6.902 -0.696 1.00 0.00 C ATOM 862 O VAL A 53 -0.079 7.266 -1.266 1.00 0.00 O ATOM 863 CB VAL A 53 -1.615 4.467 -0.445 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.570 3.345 -0.810 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.174 4.045 -0.673 1.00 0.00 C ATOM 0 H VAL A 53 -0.764 5.264 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.002 5.966 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.741 4.687 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.321 2.454 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.592 3.649 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.483 3.125 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.036 3.142 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.016 3.847 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.494 4.843 -0.350 1.00 0.00 H new ATOM 875 N PRO A 54 -1.575 7.497 0.413 1.00 0.00 N ATOM 876 CA PRO A 54 -0.881 8.604 1.078 1.00 0.00 C ATOM 877 C PRO A 54 0.427 8.170 1.739 1.00 0.00 C ATOM 878 O PRO A 54 0.448 7.239 2.547 1.00 0.00 O ATOM 879 CB PRO A 54 -1.885 9.055 2.143 1.00 0.00 C ATOM 880 CG PRO A 54 -2.727 7.850 2.408 1.00 0.00 C ATOM 881 CD PRO A 54 -2.834 7.142 1.094 1.00 0.00 C ATOM 0 HA PRO A 54 -0.595 9.384 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.378 9.390 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.490 9.890 1.788 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.270 7.210 3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.711 8.133 2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.930 6.064 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.705 7.474 0.528 1.00 0.00 H new ATOM 889 N SER A 55 1.503 8.877 1.421 1.00 0.00 N ATOM 890 CA SER A 55 2.826 8.583 1.968 1.00 0.00 C ATOM 891 C SER A 55 2.882 8.866 3.473 1.00 0.00 C ATOM 892 O SER A 55 3.841 8.494 4.151 1.00 0.00 O ATOM 893 CB SER A 55 3.887 9.411 1.232 1.00 0.00 C ATOM 894 OG SER A 55 5.194 9.147 1.719 1.00 0.00 O ATOM 0 H SER A 55 1.486 9.669 0.778 1.00 0.00 H new ATOM 0 HA SER A 55 3.029 7.522 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.845 9.190 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.664 10.472 1.347 1.00 0.00 H new ATOM 0 HG SER A 55 5.571 8.377 1.244 1.00 0.00 H new ATOM 900 N ASN A 56 1.859 9.535 3.989 1.00 0.00 N ATOM 901 CA ASN A 56 1.785 9.837 5.415 1.00 0.00 C ATOM 902 C ASN A 56 1.292 8.627 6.209 1.00 0.00 C ATOM 903 O ASN A 56 1.571 8.499 7.402 1.00 0.00 O ATOM 904 CB ASN A 56 0.861 11.039 5.650 1.00 0.00 C ATOM 905 CG ASN A 56 0.813 11.477 7.107 1.00 0.00 C ATOM 906 OD1 ASN A 56 1.663 12.237 7.565 1.00 0.00 O ATOM 907 ND2 ASN A 56 -0.196 11.024 7.841 1.00 0.00 N ATOM 0 H ASN A 56 1.069 9.879 3.443 1.00 0.00 H new ATOM 0 HA ASN A 56 2.788 10.083 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.198 11.874 5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.146 10.786 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.283 11.306 8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.884 10.394 7.429 1.00 0.00 H new ATOM 914 N TYR A 57 0.568 7.731 5.543 1.00 0.00 N ATOM 915 CA TYR A 57 -0.032 6.584 6.213 1.00 0.00 C ATOM 916 C TYR A 57 0.690 5.287 5.865 1.00 0.00 C ATOM 917 O TYR A 57 0.611 4.312 6.608 1.00 0.00 O ATOM 918 CB TYR A 57 -1.517 6.476 5.861 1.00 0.00 C ATOM 919 CG TYR A 57 -2.361 7.582 6.453 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.516 8.793 5.795 1.00 0.00 C ATOM 921 CD2 TYR A 57 -3.003 7.412 7.672 1.00 0.00 C ATOM 922 CE1 TYR A 57 -3.287 9.803 6.333 1.00 0.00 C ATOM 923 CE2 TYR A 57 -3.776 8.417 8.219 1.00 0.00 C ATOM 924 CZ TYR A 57 -3.915 9.611 7.545 1.00 0.00 C ATOM 925 OH TYR A 57 -4.687 10.617 8.078 1.00 0.00 O ATOM 0 H TYR A 57 0.384 7.778 4.541 1.00 0.00 H new ATOM 0 HA TYR A 57 0.068 6.741 7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.627 6.487 4.777 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.896 5.515 6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.025 8.948 4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.896 6.477 8.202 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.398 10.740 5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.268 8.268 9.169 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.061 10.323 8.935 1.00 0.00 H new ATOM 935 N VAL A 58 1.393 5.271 4.739 1.00 0.00 N ATOM 936 CA VAL A 58 2.163 4.094 4.344 1.00 0.00 C ATOM 937 C VAL A 58 3.657 4.389 4.420 1.00 0.00 C ATOM 938 O VAL A 58 4.070 5.543 4.293 1.00 0.00 O ATOM 939 CB VAL A 58 1.812 3.615 2.919 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.353 3.223 2.827 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.147 4.675 1.882 1.00 0.00 C ATOM 0 H VAL A 58 1.447 6.053 4.086 1.00 0.00 H new ATOM 0 HA VAL A 58 1.902 3.298 5.041 1.00 0.00 H new ATOM 0 HB VAL A 58 2.419 2.735 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.129 2.889 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.148 2.415 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.271 4.083 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.888 4.307 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.580 5.582 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.213 4.897 1.920 1.00 0.00 H new ATOM 951 N GLU A 59 4.462 3.358 4.635 1.00 0.00 N ATOM 952 CA GLU A 59 5.903 3.535 4.745 1.00 0.00 C ATOM 953 C GLU A 59 6.649 2.463 3.966 1.00 0.00 C ATOM 954 O GLU A 59 6.069 1.461 3.537 1.00 0.00 O ATOM 955 CB GLU A 59 6.358 3.499 6.208 1.00 0.00 C ATOM 956 CG GLU A 59 5.663 4.517 7.095 1.00 0.00 C ATOM 957 CD GLU A 59 6.393 4.753 8.402 1.00 0.00 C ATOM 958 OE1 GLU A 59 6.453 3.834 9.243 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.906 5.875 8.604 1.00 0.00 O ATOM 0 H GLU A 59 4.144 2.394 4.736 1.00 0.00 H new ATOM 0 HA GLU A 59 6.136 4.513 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.180 2.501 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.434 3.671 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.576 5.461 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.650 4.176 7.307 1.00 0.00 H new ATOM 966 N ARG A 60 7.935 2.689 3.764 1.00 0.00 N ATOM 967 CA ARG A 60 8.801 1.683 3.174 1.00 0.00 C ATOM 968 C ARG A 60 9.192 0.662 4.234 1.00 0.00 C ATOM 969 O ARG A 60 8.999 0.897 5.428 1.00 0.00 O ATOM 970 CB ARG A 60 10.047 2.329 2.568 1.00 0.00 C ATOM 971 CG ARG A 60 9.745 3.193 1.357 1.00 0.00 C ATOM 972 CD ARG A 60 10.971 3.976 0.905 1.00 0.00 C ATOM 973 NE ARG A 60 10.660 4.910 -0.179 1.00 0.00 N ATOM 974 CZ ARG A 60 10.676 6.240 -0.048 1.00 0.00 C ATOM 975 NH1 ARG A 60 10.973 6.791 1.123 1.00 0.00 N ATOM 976 NH2 ARG A 60 10.389 7.016 -1.088 1.00 0.00 N ATOM 0 H ARG A 60 8.404 3.563 4.001 1.00 0.00 H new ATOM 0 HA ARG A 60 8.261 1.178 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.538 2.938 3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.751 1.547 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.393 2.564 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.938 3.886 1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.381 4.527 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.743 3.281 0.574 1.00 0.00 H new ATOM 0 HE ARG A 60 10.416 4.522 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.190 6.199 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.985 7.806 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.156 6.597 -1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.402 8.031 -0.986 1.00 0.00 H new ATOM 990 N LYS A 61 9.736 -0.467 3.808 1.00 0.00 N ATOM 991 CA LYS A 61 10.099 -1.516 4.745 1.00 0.00 C ATOM 992 C LYS A 61 11.290 -1.085 5.594 1.00 0.00 C ATOM 993 O LYS A 61 12.329 -0.675 5.064 1.00 0.00 O ATOM 994 CB LYS A 61 10.383 -2.831 4.012 1.00 0.00 C ATOM 995 CG LYS A 61 11.454 -2.734 2.940 1.00 0.00 C ATOM 996 CD LYS A 61 11.488 -3.989 2.090 1.00 0.00 C ATOM 997 CE LYS A 61 12.553 -3.921 1.010 1.00 0.00 C ATOM 998 NZ LYS A 61 12.413 -2.714 0.150 1.00 0.00 N ATOM 0 H LYS A 61 9.934 -0.679 2.830 1.00 0.00 H new ATOM 0 HA LYS A 61 9.255 -1.689 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.684 -3.582 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.459 -3.184 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.263 -1.867 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.427 -2.580 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.674 -4.853 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.513 -4.139 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.539 -3.920 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.495 -4.815 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.024 -2.811 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.423 -2.617 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.694 -1.870 0.688 1.00 0.00 H new ATOM 1012 N ASN A 62 11.104 -1.160 6.916 1.00 0.00 N ATOM 1013 CA ASN A 62 12.099 -0.730 7.902 1.00 0.00 C ATOM 1014 C ASN A 62 12.167 0.790 7.974 1.00 0.00 C ATOM 1015 O ASN A 62 12.012 1.485 6.968 1.00 0.00 O ATOM 1016 CB ASN A 62 13.490 -1.303 7.605 1.00 0.00 C ATOM 1017 CG ASN A 62 13.522 -2.817 7.645 1.00 0.00 C ATOM 1018 OD1 ASN A 62 12.777 -3.450 8.393 1.00 0.00 O ATOM 1019 ND2 ASN A 62 14.386 -3.406 6.835 1.00 0.00 N ATOM 0 H ASN A 62 10.249 -1.525 7.335 1.00 0.00 H new ATOM 0 HA ASN A 62 11.778 -1.120 8.868 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.816 -0.963 6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.202 -0.910 8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.453 -4.424 6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.985 -2.843 6.231 1.00 0.00 H new ATOM 1026 N SER A 63 12.370 1.305 9.168 1.00 0.00 N ATOM 1027 CA SER A 63 12.492 2.737 9.368 1.00 0.00 C ATOM 1028 C SER A 63 13.924 3.089 9.756 1.00 0.00 C ATOM 1029 O SER A 63 14.732 3.383 8.851 1.00 0.00 O ATOM 1030 CB SER A 63 11.510 3.195 10.447 1.00 0.00 C ATOM 1031 OG SER A 63 10.189 2.774 10.133 1.00 0.00 O ATOM 0 H SER A 63 12.455 0.751 10.020 1.00 0.00 H new ATOM 0 HA SER A 63 12.251 3.253 8.439 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.807 2.788 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.540 4.281 10.536 1.00 0.00 H new ATOM 0 HG SER A 63 9.574 3.074 10.835 1.00 0.00 H new TER 1037 SER A 63