USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 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 21 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 23 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.18 K(o=0.18,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -170:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.00056) USER MOD Single : A 44 GLN : amide:sc= -0.0734 K(o=-0.073,f=-1.3!) USER MOD Single : A 45 ASN : amide:sc= 0.303 K(o=0.3,f=-4.8!) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0064) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -0.428 K(o=-0.43,f=-2!) USER MOD Single : A 51 TYR OH : rot 30:sc= 0.0205 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.148 13.099 -7.067 1.00 0.00 N ATOM 2 CA PHE A 17 34.374 12.116 -6.231 1.00 0.00 C ATOM 3 C PHE A 17 32.854 12.305 -6.192 1.00 0.00 C ATOM 4 O PHE A 17 32.330 13.289 -5.674 1.00 0.00 O ATOM 5 CB PHE A 17 34.994 12.163 -4.796 1.00 0.00 C ATOM 6 CG PHE A 17 34.344 11.241 -3.783 1.00 0.00 C ATOM 7 CD1 PHE A 17 33.896 9.955 -4.129 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.161 11.683 -2.459 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.222 9.158 -3.198 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.516 10.874 -1.514 1.00 0.00 C ATOM 11 CZ PHE A 17 33.036 9.612 -1.887 1.00 0.00 C ATOM 0 HA PHE A 17 34.473 11.137 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.052 11.912 -4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 17 34.933 13.186 -4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 17 34.074 9.578 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 17 34.522 12.658 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 17 32.844 8.190 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 17 33.389 11.223 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 17 32.524 8.992 -1.166 1.00 0.00 H new ATOM 23 N ASP A 18 32.104 11.306 -6.721 1.00 0.00 N ATOM 24 CA ASP A 18 30.691 11.135 -6.469 1.00 0.00 C ATOM 25 C ASP A 18 30.478 9.743 -5.885 1.00 0.00 C ATOM 26 O ASP A 18 31.200 8.798 -6.210 1.00 0.00 O ATOM 27 CB ASP A 18 29.853 11.293 -7.763 1.00 0.00 C ATOM 28 CG ASP A 18 29.942 12.721 -8.286 1.00 0.00 C ATOM 29 OD1 ASP A 18 29.448 13.636 -7.580 1.00 0.00 O ATOM 30 OD2 ASP A 18 30.475 12.901 -9.414 1.00 0.00 O ATOM 0 H ASP A 18 32.491 10.596 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 18 30.361 11.906 -5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.212 10.598 -8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.813 11.037 -7.563 1.00 0.00 H new ATOM 35 N VAL A 19 29.459 9.586 -5.014 1.00 0.00 N ATOM 36 CA VAL A 19 29.056 8.297 -4.484 1.00 0.00 C ATOM 37 C VAL A 19 27.586 8.122 -4.816 1.00 0.00 C ATOM 38 O VAL A 19 26.786 9.045 -4.656 1.00 0.00 O ATOM 39 CB VAL A 19 29.351 8.165 -2.982 1.00 0.00 C ATOM 40 CG1 VAL A 19 28.627 9.236 -2.136 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.032 6.741 -2.478 1.00 0.00 C ATOM 0 H VAL A 19 28.899 10.364 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 19 29.637 7.497 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 19 30.419 8.341 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.872 9.095 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 19 28.948 10.228 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.550 9.142 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.250 6.675 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 19 27.978 6.523 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.643 6.018 -3.019 1.00 0.00 H new ATOM 51 N VAL A 20 27.198 6.937 -5.344 1.00 0.00 N ATOM 52 CA VAL A 20 25.813 6.617 -5.666 1.00 0.00 C ATOM 53 C VAL A 20 25.489 5.241 -5.130 1.00 0.00 C ATOM 54 O VAL A 20 26.375 4.402 -4.948 1.00 0.00 O ATOM 55 CB VAL A 20 25.459 6.687 -7.159 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.619 8.137 -7.661 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.331 5.719 -7.985 1.00 0.00 C ATOM 0 H VAL A 20 27.851 6.182 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 20 25.208 7.389 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 20 24.421 6.379 -7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.367 8.185 -8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.953 8.792 -7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.650 8.460 -7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.057 5.791 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.382 5.983 -7.864 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.171 4.698 -7.637 1.00 0.00 H new ATOM 67 N SER A 21 24.192 4.986 -4.836 1.00 0.00 N ATOM 68 CA SER A 21 23.717 3.726 -4.298 1.00 0.00 C ATOM 69 C SER A 21 23.534 2.640 -5.345 1.00 0.00 C ATOM 70 O SER A 21 23.240 2.899 -6.509 1.00 0.00 O ATOM 71 CB SER A 21 22.399 3.920 -3.493 1.00 0.00 C ATOM 72 OG SER A 21 21.338 4.420 -4.307 1.00 0.00 O ATOM 0 H SER A 21 23.449 5.672 -4.974 1.00 0.00 H new ATOM 0 HA SER A 21 24.506 3.382 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.100 2.968 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.577 4.610 -2.668 1.00 0.00 H new ATOM 0 HG SER A 21 20.530 4.525 -3.763 1.00 0.00 H new ATOM 78 N CYS A 22 23.701 1.363 -4.927 1.00 0.00 N ATOM 79 CA CYS A 22 23.535 0.213 -5.804 1.00 0.00 C ATOM 80 C CYS A 22 22.195 -0.466 -5.569 1.00 0.00 C ATOM 81 O CYS A 22 21.833 -1.401 -6.278 1.00 0.00 O ATOM 82 CB CYS A 22 24.687 -0.803 -5.617 1.00 0.00 C ATOM 83 SG CYS A 22 26.277 -0.036 -6.065 1.00 0.00 S ATOM 0 H CYS A 22 23.954 1.117 -3.970 1.00 0.00 H new ATOM 0 HA CYS A 22 23.562 0.579 -6.830 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.717 -1.144 -4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.511 -1.682 -6.237 1.00 0.00 H new ATOM 88 N ASN A 23 21.428 0.015 -4.558 1.00 0.00 N ATOM 89 CA ASN A 23 20.113 -0.460 -4.139 1.00 0.00 C ATOM 90 C ASN A 23 20.029 -1.932 -3.774 1.00 0.00 C ATOM 91 O ASN A 23 19.071 -2.640 -4.073 1.00 0.00 O ATOM 92 CB ASN A 23 19.009 -0.043 -5.147 1.00 0.00 C ATOM 93 CG ASN A 23 18.900 1.482 -5.089 1.00 0.00 C ATOM 94 OD1 ASN A 23 18.438 2.029 -4.084 1.00 0.00 O ATOM 95 ND2 ASN A 23 19.377 2.188 -6.142 1.00 0.00 N ATOM 0 H ASN A 23 21.746 0.797 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 23 19.930 0.050 -3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.263 -0.373 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.057 -0.507 -4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.362 3.208 -6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.751 1.700 -6.956 1.00 0.00 H new ATOM 102 N LYS A 24 21.054 -2.370 -3.021 1.00 0.00 N ATOM 103 CA LYS A 24 21.121 -3.604 -2.277 1.00 0.00 C ATOM 104 C LYS A 24 21.593 -3.233 -0.895 1.00 0.00 C ATOM 105 O LYS A 24 22.313 -2.247 -0.734 1.00 0.00 O ATOM 106 CB LYS A 24 22.102 -4.622 -2.918 1.00 0.00 C ATOM 107 CG LYS A 24 21.558 -5.279 -4.199 1.00 0.00 C ATOM 108 CD LYS A 24 20.556 -6.405 -3.886 1.00 0.00 C ATOM 109 CE LYS A 24 21.256 -7.716 -3.508 1.00 0.00 C ATOM 110 NZ LYS A 24 20.266 -8.718 -3.070 1.00 0.00 N ATOM 0 H LYS A 24 21.907 -1.820 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 24 20.145 -4.088 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 24 23.039 -4.115 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.332 -5.400 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.073 -4.523 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.387 -5.682 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.906 -6.093 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.918 -6.573 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.815 -8.097 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.977 -7.534 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.754 -9.601 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.751 -8.358 -2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.594 -8.903 -3.842 1.00 0.00 H new ATOM 124 N ASN A 25 21.184 -3.991 0.146 1.00 0.00 N ATOM 125 CA ASN A 25 21.728 -3.828 1.478 1.00 0.00 C ATOM 126 C ASN A 25 22.898 -4.774 1.669 1.00 0.00 C ATOM 127 O ASN A 25 23.132 -5.642 0.834 1.00 0.00 O ATOM 128 CB ASN A 25 20.643 -4.085 2.562 1.00 0.00 C ATOM 129 CG ASN A 25 20.103 -5.522 2.600 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.487 -5.991 1.640 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.356 -6.230 3.733 1.00 0.00 N ATOM 0 H ASN A 25 20.475 -4.720 0.071 1.00 0.00 H new ATOM 0 HA ASN A 25 22.072 -2.800 1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.060 -3.842 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.810 -3.403 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.032 -7.194 3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.870 -5.798 4.501 1.00 0.00 H new ATOM 138 N CYS A 26 23.607 -4.684 2.818 1.00 0.00 N ATOM 139 CA CYS A 26 24.415 -5.797 3.260 1.00 0.00 C ATOM 140 C CYS A 26 23.881 -6.167 4.628 1.00 0.00 C ATOM 141 O CYS A 26 22.976 -5.519 5.150 1.00 0.00 O ATOM 142 CB CYS A 26 25.957 -5.511 3.267 1.00 0.00 C ATOM 143 SG CYS A 26 26.715 -4.445 4.549 1.00 0.00 S ATOM 0 H CYS A 26 23.624 -3.867 3.428 1.00 0.00 H new ATOM 0 HA CYS A 26 24.332 -6.625 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.460 -6.477 3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 26 26.204 -5.072 2.300 1.00 0.00 H new ATOM 148 N THR A 27 24.348 -7.280 5.218 1.00 0.00 N ATOM 149 CA THR A 27 24.081 -7.596 6.613 1.00 0.00 C ATOM 150 C THR A 27 25.443 -8.039 7.072 1.00 0.00 C ATOM 151 O THR A 27 26.160 -8.625 6.260 1.00 0.00 O ATOM 152 CB THR A 27 23.057 -8.696 6.848 1.00 0.00 C ATOM 153 OG1 THR A 27 21.825 -8.379 6.216 1.00 0.00 O ATOM 154 CG2 THR A 27 22.737 -8.856 8.345 1.00 0.00 C ATOM 0 H THR A 27 24.917 -7.976 4.736 1.00 0.00 H new ATOM 0 HA THR A 27 23.641 -6.750 7.141 1.00 0.00 H new ATOM 0 HB THR A 27 23.493 -9.609 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.180 -9.099 6.377 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.002 -9.650 8.477 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.648 -9.111 8.887 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.334 -7.920 8.733 1.00 0.00 H new ATOM 162 N SER A 28 25.868 -7.763 8.330 1.00 0.00 N ATOM 163 CA SER A 28 27.269 -7.865 8.743 1.00 0.00 C ATOM 164 C SER A 28 27.886 -9.248 8.539 1.00 0.00 C ATOM 165 O SER A 28 29.006 -9.349 8.046 1.00 0.00 O ATOM 166 CB SER A 28 27.433 -7.469 10.243 1.00 0.00 C ATOM 167 OG SER A 28 28.792 -7.503 10.683 1.00 0.00 O ATOM 0 H SER A 28 25.241 -7.465 9.078 1.00 0.00 H new ATOM 0 HA SER A 28 27.803 -7.172 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.033 -6.467 10.394 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.840 -8.145 10.859 1.00 0.00 H new ATOM 0 HG SER A 28 28.823 -7.403 11.657 1.00 0.00 H new ATOM 173 N GLY A 29 27.176 -10.347 8.890 1.00 0.00 N ATOM 174 CA GLY A 29 27.663 -11.704 8.642 1.00 0.00 C ATOM 175 C GLY A 29 27.686 -12.119 7.188 1.00 0.00 C ATOM 176 O GLY A 29 28.634 -12.741 6.718 1.00 0.00 O ATOM 0 H GLY A 29 26.264 -10.308 9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 29 28.672 -11.791 9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 29 27.037 -12.405 9.195 1.00 0.00 H new ATOM 180 N GLN A 30 26.593 -11.816 6.458 1.00 0.00 N ATOM 181 CA GLN A 30 26.367 -12.170 5.066 1.00 0.00 C ATOM 182 C GLN A 30 27.276 -11.430 4.094 1.00 0.00 C ATOM 183 O GLN A 30 27.792 -12.013 3.144 1.00 0.00 O ATOM 184 CB GLN A 30 24.878 -11.907 4.713 1.00 0.00 C ATOM 185 CG GLN A 30 23.921 -12.873 5.453 1.00 0.00 C ATOM 186 CD GLN A 30 22.450 -12.447 5.379 1.00 0.00 C ATOM 187 OE1 GLN A 30 21.844 -12.185 6.421 1.00 0.00 O ATOM 188 NE2 GLN A 30 21.862 -12.374 4.159 1.00 0.00 N ATOM 0 H GLN A 30 25.813 -11.292 6.855 1.00 0.00 H new ATOM 0 HA GLN A 30 26.610 -13.227 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 30 24.622 -10.879 4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 30 24.737 -12.013 3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.024 -13.871 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.220 -12.939 6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.398 -12.599 3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.884 -12.094 4.080 1.00 0.00 H new ATOM 197 N ASN A 31 27.452 -10.107 4.325 1.00 0.00 N ATOM 198 CA ASN A 31 28.304 -9.160 3.622 1.00 0.00 C ATOM 199 C ASN A 31 28.044 -9.096 2.108 1.00 0.00 C ATOM 200 O ASN A 31 28.945 -8.928 1.292 1.00 0.00 O ATOM 201 CB ASN A 31 29.798 -9.449 3.979 1.00 0.00 C ATOM 202 CG ASN A 31 30.726 -8.256 3.720 1.00 0.00 C ATOM 203 OD1 ASN A 31 31.681 -8.310 2.947 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.450 -7.142 4.457 1.00 0.00 N ATOM 0 H ASN A 31 26.946 -9.648 5.083 1.00 0.00 H new ATOM 0 HA ASN A 31 28.050 -8.158 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.865 -9.731 5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.145 -10.303 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 31 31.045 -6.317 4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.649 -7.134 5.088 1.00 0.00 H new ATOM 211 N GLU A 32 26.757 -9.195 1.707 1.00 0.00 N ATOM 212 CA GLU A 32 26.295 -9.075 0.335 1.00 0.00 C ATOM 213 C GLU A 32 26.422 -7.686 -0.261 1.00 0.00 C ATOM 214 O GLU A 32 25.903 -6.730 0.298 1.00 0.00 O ATOM 215 CB GLU A 32 24.810 -9.522 0.238 1.00 0.00 C ATOM 216 CG GLU A 32 24.665 -11.056 0.382 1.00 0.00 C ATOM 217 CD GLU A 32 23.211 -11.526 0.411 1.00 0.00 C ATOM 218 OE1 GLU A 32 22.491 -11.308 -0.598 1.00 0.00 O ATOM 219 OE2 GLU A 32 22.822 -12.123 1.449 1.00 0.00 O ATOM 0 H GLU A 32 25.996 -9.367 2.365 1.00 0.00 H new ATOM 0 HA GLU A 32 26.952 -9.722 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.229 -9.027 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.396 -9.205 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.180 -11.542 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.161 -11.376 1.298 1.00 0.00 H new ATOM 226 N CYS A 33 27.065 -7.570 -1.447 1.00 0.00 N ATOM 227 CA CYS A 33 26.829 -6.521 -2.422 1.00 0.00 C ATOM 228 C CYS A 33 26.957 -7.162 -3.787 1.00 0.00 C ATOM 229 O CYS A 33 27.582 -8.221 -3.874 1.00 0.00 O ATOM 230 CB CYS A 33 27.812 -5.316 -2.360 1.00 0.00 C ATOM 231 SG CYS A 33 27.597 -4.279 -0.889 1.00 0.00 S ATOM 0 H CYS A 33 27.781 -8.233 -1.745 1.00 0.00 H new ATOM 0 HA CYS A 33 25.845 -6.104 -2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.835 -5.691 -2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.677 -4.702 -3.250 1.00 0.00 H new ATOM 236 N PRO A 34 26.413 -6.604 -4.872 1.00 0.00 N ATOM 237 CA PRO A 34 26.810 -6.963 -6.230 1.00 0.00 C ATOM 238 C PRO A 34 28.215 -6.456 -6.528 1.00 0.00 C ATOM 239 O PRO A 34 28.710 -5.560 -5.845 1.00 0.00 O ATOM 240 CB PRO A 34 25.756 -6.266 -7.107 1.00 0.00 C ATOM 241 CG PRO A 34 25.344 -5.036 -6.292 1.00 0.00 C ATOM 242 CD PRO A 34 25.391 -5.553 -4.856 1.00 0.00 C ATOM 0 HA PRO A 34 26.846 -8.039 -6.402 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.168 -5.982 -8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.905 -6.919 -7.301 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.028 -4.202 -6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.348 -4.685 -6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.651 -4.758 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.423 -5.946 -4.545 1.00 0.00 H new ATOM 250 N GLU A 35 28.900 -7.044 -7.534 1.00 0.00 N ATOM 251 CA GLU A 35 30.277 -6.711 -7.850 1.00 0.00 C ATOM 252 C GLU A 35 30.436 -5.280 -8.352 1.00 0.00 C ATOM 253 O GLU A 35 29.646 -4.788 -9.154 1.00 0.00 O ATOM 254 CB GLU A 35 30.869 -7.688 -8.901 1.00 0.00 C ATOM 255 CG GLU A 35 30.983 -9.144 -8.381 1.00 0.00 C ATOM 256 CD GLU A 35 31.565 -10.090 -9.433 1.00 0.00 C ATOM 257 OE1 GLU A 35 32.743 -9.880 -9.824 1.00 0.00 O ATOM 258 OE2 GLU A 35 30.838 -11.032 -9.839 1.00 0.00 O ATOM 0 H GLU A 35 28.500 -7.760 -8.140 1.00 0.00 H new ATOM 0 HA GLU A 35 30.827 -6.806 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 35 30.243 -7.675 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 35 31.857 -7.337 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 35 31.612 -9.162 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 35 29.997 -9.499 -8.081 1.00 0.00 H new ATOM 265 N GLY A 36 31.484 -4.574 -7.860 1.00 0.00 N ATOM 266 CA GLY A 36 31.724 -3.169 -8.168 1.00 0.00 C ATOM 267 C GLY A 36 31.162 -2.230 -7.132 1.00 0.00 C ATOM 268 O GLY A 36 31.450 -1.037 -7.156 1.00 0.00 O ATOM 0 H GLY A 36 32.182 -4.979 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.797 -3.001 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.284 -2.936 -9.137 1.00 0.00 H new ATOM 272 N CYS A 37 30.357 -2.751 -6.185 1.00 0.00 N ATOM 273 CA CYS A 37 29.756 -1.989 -5.108 1.00 0.00 C ATOM 274 C CYS A 37 30.330 -2.482 -3.796 1.00 0.00 C ATOM 275 O CYS A 37 30.798 -3.614 -3.700 1.00 0.00 O ATOM 276 CB CYS A 37 28.216 -2.151 -5.076 1.00 0.00 C ATOM 277 SG CYS A 37 27.444 -1.590 -6.624 1.00 0.00 S ATOM 0 H CYS A 37 30.110 -3.740 -6.160 1.00 0.00 H new ATOM 0 HA CYS A 37 29.978 -0.934 -5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.964 -3.197 -4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.808 -1.583 -4.240 1.00 0.00 H new ATOM 282 N PHE A 38 30.315 -1.639 -2.739 1.00 0.00 N ATOM 283 CA PHE A 38 30.816 -2.044 -1.439 1.00 0.00 C ATOM 284 C PHE A 38 29.825 -1.554 -0.398 1.00 0.00 C ATOM 285 O PHE A 38 28.971 -0.712 -0.680 1.00 0.00 O ATOM 286 CB PHE A 38 32.257 -1.502 -1.140 1.00 0.00 C ATOM 287 CG PHE A 38 32.335 -0.017 -0.859 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.185 0.943 -1.871 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.565 0.417 0.461 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.179 2.304 -1.552 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.615 1.782 0.770 1.00 0.00 C ATOM 292 CZ PHE A 38 32.413 2.729 -0.240 1.00 0.00 C ATOM 0 H PHE A 38 29.961 -0.683 -2.776 1.00 0.00 H new ATOM 0 HA PHE A 38 30.907 -3.130 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.661 -2.041 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.899 -1.730 -1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.074 0.630 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.705 -0.312 1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.992 3.034 -2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.809 2.102 1.783 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.438 3.783 -0.008 1.00 0.00 H new ATOM 302 N CYS A 39 29.897 -2.107 0.830 1.00 0.00 N ATOM 303 CA CYS A 39 29.039 -1.706 1.924 1.00 0.00 C ATOM 304 C CYS A 39 29.960 -1.193 3.007 1.00 0.00 C ATOM 305 O CYS A 39 30.866 -1.900 3.448 1.00 0.00 O ATOM 306 CB CYS A 39 28.215 -2.918 2.430 1.00 0.00 C ATOM 307 SG CYS A 39 26.969 -2.606 3.714 1.00 0.00 S ATOM 0 H CYS A 39 30.558 -2.844 1.074 1.00 0.00 H new ATOM 0 HA CYS A 39 28.325 -0.941 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.710 -3.363 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 39 28.913 -3.663 2.812 1.00 0.00 H new ATOM 312 N GLY A 40 29.760 0.061 3.471 1.00 0.00 N ATOM 313 CA GLY A 40 30.553 0.641 4.543 1.00 0.00 C ATOM 314 C GLY A 40 30.013 0.216 5.873 1.00 0.00 C ATOM 315 O GLY A 40 29.297 0.955 6.544 1.00 0.00 O ATOM 0 H GLY A 40 29.043 0.686 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.592 0.327 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.540 1.728 4.468 1.00 0.00 H new ATOM 319 N LEU A 41 30.346 -1.024 6.272 1.00 0.00 N ATOM 320 CA LEU A 41 29.856 -1.634 7.484 1.00 0.00 C ATOM 321 C LEU A 41 30.984 -1.431 8.494 1.00 0.00 C ATOM 322 O LEU A 41 32.093 -1.930 8.310 1.00 0.00 O ATOM 323 CB LEU A 41 29.546 -3.118 7.152 1.00 0.00 C ATOM 324 CG LEU A 41 28.728 -3.944 8.169 1.00 0.00 C ATOM 325 CD1 LEU A 41 29.455 -4.226 9.483 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.330 -3.356 8.414 1.00 0.00 C ATOM 0 H LEU A 41 30.975 -1.626 5.741 1.00 0.00 H new ATOM 0 HA LEU A 41 28.937 -1.215 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 41 29.014 -3.141 6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 41 30.496 -3.629 6.998 1.00 0.00 H new ATOM 0 HG LEU A 41 28.602 -4.915 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.809 -4.810 10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 41 30.368 -4.786 9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 41 29.707 -3.283 9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.797 -3.974 9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.425 -2.342 8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.775 -3.334 7.476 1.00 0.00 H new ATOM 338 N LEU A 42 30.738 -0.608 9.545 1.00 0.00 N ATOM 339 CA LEU A 42 31.791 0.196 10.159 1.00 0.00 C ATOM 340 C LEU A 42 32.706 -0.618 11.071 1.00 0.00 C ATOM 341 O LEU A 42 33.929 -0.570 10.963 1.00 0.00 O ATOM 342 CB LEU A 42 31.191 1.325 11.047 1.00 0.00 C ATOM 343 CG LEU A 42 30.244 2.349 10.371 1.00 0.00 C ATOM 344 CD1 LEU A 42 30.785 2.926 9.055 1.00 0.00 C ATOM 345 CD2 LEU A 42 28.823 1.766 10.195 1.00 0.00 C ATOM 0 H LEU A 42 29.819 -0.494 9.973 1.00 0.00 H new ATOM 0 HA LEU A 42 32.360 0.598 9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 42 30.646 0.854 11.865 1.00 0.00 H new ATOM 0 HB3 LEU A 42 32.019 1.877 11.492 1.00 0.00 H new ATOM 0 HG LEU A 42 30.187 3.196 11.055 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.065 3.634 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 42 31.729 3.437 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 42 30.945 2.117 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.182 2.508 9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 42 28.871 0.873 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.413 1.506 11.171 1.00 0.00 H new ATOM 357 N GLY A 43 32.104 -1.415 11.978 1.00 0.00 N ATOM 358 CA GLY A 43 32.807 -2.332 12.851 1.00 0.00 C ATOM 359 C GLY A 43 31.823 -3.322 13.401 1.00 0.00 C ATOM 360 O GLY A 43 31.403 -3.209 14.549 1.00 0.00 O ATOM 0 H GLY A 43 31.093 -1.427 12.114 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.595 -2.848 12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.288 -1.787 13.663 1.00 0.00 H new ATOM 364 N GLN A 44 31.437 -4.311 12.560 1.00 0.00 N ATOM 365 CA GLN A 44 30.475 -5.383 12.798 1.00 0.00 C ATOM 366 C GLN A 44 29.157 -4.982 13.452 1.00 0.00 C ATOM 367 O GLN A 44 28.776 -5.437 14.528 1.00 0.00 O ATOM 368 CB GLN A 44 31.102 -6.637 13.497 1.00 0.00 C ATOM 369 CG GLN A 44 31.755 -6.447 14.891 1.00 0.00 C ATOM 370 CD GLN A 44 33.226 -6.016 14.818 1.00 0.00 C ATOM 371 OE1 GLN A 44 33.938 -6.252 13.839 1.00 0.00 O ATOM 372 NE2 GLN A 44 33.709 -5.370 15.913 1.00 0.00 N ATOM 0 H GLN A 44 31.832 -4.373 11.621 1.00 0.00 H new ATOM 0 HA GLN A 44 30.197 -5.664 11.782 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.320 -7.390 13.595 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.858 -7.048 12.828 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.192 -5.699 15.450 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.684 -7.381 15.448 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.097 -5.188 16.709 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.683 -5.068 15.938 1.00 0.00 H new ATOM 381 N ASN A 45 28.426 -4.071 12.771 1.00 0.00 N ATOM 382 CA ASN A 45 27.243 -3.426 13.299 1.00 0.00 C ATOM 383 C ASN A 45 25.992 -4.052 12.683 1.00 0.00 C ATOM 384 O ASN A 45 25.721 -5.238 12.845 1.00 0.00 O ATOM 385 CB ASN A 45 27.302 -1.908 12.986 1.00 0.00 C ATOM 386 CG ASN A 45 28.579 -1.316 13.583 1.00 0.00 C ATOM 387 OD1 ASN A 45 29.453 -0.897 12.819 1.00 0.00 O ATOM 388 ND2 ASN A 45 28.707 -1.298 14.932 1.00 0.00 N ATOM 0 H ASN A 45 28.661 -3.771 11.825 1.00 0.00 H new ATOM 0 HA ASN A 45 27.202 -3.564 14.379 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.282 -1.747 11.908 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.427 -1.406 13.399 1.00 0.00 H new ATOM 0 HD21 ASN A 45 29.555 -0.926 15.359 1.00 0.00 H new ATOM 0 HD22 ASN A 45 27.955 -1.656 15.520 1.00 0.00 H new ATOM 395 N LYS A 46 25.176 -3.238 11.971 1.00 0.00 N ATOM 396 CA LYS A 46 23.883 -3.634 11.453 1.00 0.00 C ATOM 397 C LYS A 46 23.982 -4.018 9.979 1.00 0.00 C ATOM 398 O LYS A 46 24.373 -5.135 9.633 1.00 0.00 O ATOM 399 CB LYS A 46 22.818 -2.502 11.624 1.00 0.00 C ATOM 400 CG LYS A 46 22.400 -2.147 13.069 1.00 0.00 C ATOM 401 CD LYS A 46 23.435 -1.328 13.863 1.00 0.00 C ATOM 402 CE LYS A 46 22.858 -0.552 15.049 1.00 0.00 C ATOM 403 NZ LYS A 46 22.127 0.640 14.575 1.00 0.00 N ATOM 0 H LYS A 46 25.420 -2.273 11.747 1.00 0.00 H new ATOM 0 HA LYS A 46 23.562 -4.500 12.032 1.00 0.00 H new ATOM 0 HB2 LYS A 46 23.204 -1.599 11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 46 21.923 -2.792 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.465 -1.587 13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.198 -3.071 13.610 1.00 0.00 H new ATOM 0 HD2 LYS A 46 24.209 -2.002 14.229 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.919 -0.624 13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.188 -1.194 15.621 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.662 -0.251 15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.784 1.185 15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.763 1.234 14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.318 0.342 13.993 1.00 0.00 H new ATOM 417 N LYS A 47 23.571 -3.093 9.078 1.00 0.00 N ATOM 418 CA LYS A 47 23.281 -3.395 7.691 1.00 0.00 C ATOM 419 C LYS A 47 23.932 -2.492 6.654 1.00 0.00 C ATOM 420 O LYS A 47 24.229 -2.946 5.554 1.00 0.00 O ATOM 421 CB LYS A 47 21.746 -3.402 7.459 1.00 0.00 C ATOM 422 CG LYS A 47 21.038 -2.067 7.759 1.00 0.00 C ATOM 423 CD LYS A 47 19.546 -2.088 7.392 1.00 0.00 C ATOM 424 CE LYS A 47 18.777 -0.838 7.834 1.00 0.00 C ATOM 425 NZ LYS A 47 18.536 -0.862 9.291 1.00 0.00 N ATOM 0 H LYS A 47 23.436 -2.110 9.316 1.00 0.00 H new ATOM 0 HA LYS A 47 23.726 -4.378 7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.551 -3.675 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.303 -4.179 8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.143 -1.835 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.532 -1.267 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.450 -2.198 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.084 -2.965 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.342 0.056 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.826 -0.783 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.014 -0.007 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.978 -1.704 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.446 -0.891 9.793 1.00 0.00 H new ATOM 439 N GLY A 48 24.161 -1.182 6.924 1.00 0.00 N ATOM 440 CA GLY A 48 24.675 -0.259 5.911 1.00 0.00 C ATOM 441 C GLY A 48 23.748 -0.095 4.722 1.00 0.00 C ATOM 442 O GLY A 48 22.527 -0.133 4.856 1.00 0.00 O ATOM 0 H GLY A 48 23.995 -0.754 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.842 0.716 6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.643 -0.617 5.561 1.00 0.00 H new ATOM 446 N HIS A 49 24.323 0.073 3.512 1.00 0.00 N ATOM 447 CA HIS A 49 23.610 -0.101 2.265 1.00 0.00 C ATOM 448 C HIS A 49 24.750 -0.299 1.280 1.00 0.00 C ATOM 449 O HIS A 49 25.880 0.053 1.620 1.00 0.00 O ATOM 450 CB HIS A 49 22.747 1.126 1.860 1.00 0.00 C ATOM 451 CG HIS A 49 21.692 0.827 0.833 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.608 0.050 1.208 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.519 1.309 -0.425 1.00 0.00 C ATOM 454 CE1 HIS A 49 19.797 0.086 0.170 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.294 0.839 -0.842 1.00 0.00 N ATOM 0 H HIS A 49 25.301 0.335 3.391 1.00 0.00 H new ATOM 0 HA HIS A 49 22.890 -0.918 2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.266 1.528 2.752 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.403 1.906 1.473 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.469 -0.441 2.091 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.202 1.932 -0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 49 18.846 -0.425 0.130 1.00 0.00 H new ATOM 463 N CYS A 50 24.535 -0.879 0.075 1.00 0.00 N ATOM 464 CA CYS A 50 25.598 -0.989 -0.918 1.00 0.00 C ATOM 465 C CYS A 50 25.654 0.225 -1.833 1.00 0.00 C ATOM 466 O CYS A 50 24.643 0.700 -2.361 1.00 0.00 O ATOM 467 CB CYS A 50 25.475 -2.249 -1.815 1.00 0.00 C ATOM 468 SG CYS A 50 25.616 -3.790 -0.867 1.00 0.00 S ATOM 0 H CYS A 50 23.640 -1.270 -0.219 1.00 0.00 H new ATOM 0 HA CYS A 50 26.511 -1.062 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.516 -2.231 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.251 -2.224 -2.580 1.00 0.00 H new ATOM 473 N TYR A 51 26.880 0.738 -2.051 1.00 0.00 N ATOM 474 CA TYR A 51 27.164 1.911 -2.854 1.00 0.00 C ATOM 475 C TYR A 51 28.527 1.837 -3.508 1.00 0.00 C ATOM 476 O TYR A 51 29.341 0.973 -3.189 1.00 0.00 O ATOM 477 CB TYR A 51 26.948 3.246 -2.061 1.00 0.00 C ATOM 478 CG TYR A 51 27.415 3.224 -0.630 1.00 0.00 C ATOM 479 CD1 TYR A 51 26.427 3.085 0.362 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.764 3.287 -0.242 1.00 0.00 C ATOM 481 CE1 TYR A 51 26.769 3.013 1.714 1.00 0.00 C ATOM 482 CE2 TYR A 51 29.110 3.199 1.118 1.00 0.00 C ATOM 483 CZ TYR A 51 28.111 3.055 2.088 1.00 0.00 C ATOM 484 OH TYR A 51 28.448 2.903 3.445 1.00 0.00 O ATOM 0 H TYR A 51 27.721 0.321 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 51 26.434 1.919 -3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 51 27.468 4.049 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 51 25.886 3.491 -2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.388 3.033 0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.536 3.403 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 51 25.998 2.925 2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 51 30.148 3.243 1.415 1.00 0.00 H new ATOM 0 HH TYR A 51 27.782 2.336 3.886 1.00 0.00 H new ATOM 494 N LYS A 52 28.767 2.704 -4.520 1.00 0.00 N ATOM 495 CA LYS A 52 29.974 2.666 -5.328 1.00 0.00 C ATOM 496 C LYS A 52 30.568 4.050 -5.506 1.00 0.00 C ATOM 497 O LYS A 52 29.881 5.065 -5.388 1.00 0.00 O ATOM 498 CB LYS A 52 29.716 2.022 -6.719 1.00 0.00 C ATOM 499 CG LYS A 52 28.716 2.770 -7.619 1.00 0.00 C ATOM 500 CD LYS A 52 28.498 2.061 -8.968 1.00 0.00 C ATOM 501 CE LYS A 52 27.514 2.798 -9.875 1.00 0.00 C ATOM 502 NZ LYS A 52 27.341 2.052 -11.137 1.00 0.00 N ATOM 0 H LYS A 52 28.118 3.444 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 52 30.690 2.046 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 52 30.667 1.945 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 52 29.353 1.006 -6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.761 2.860 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 52 29.079 3.782 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 29.455 1.965 -9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.131 1.051 -8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.553 2.907 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 52 27.880 3.803 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.671 2.558 -11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 28.258 1.970 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 26.972 1.102 -10.931 1.00 0.00 H new ATOM 516 N ILE A 53 31.894 4.101 -5.782 1.00 0.00 N ATOM 517 CA ILE A 53 32.688 5.317 -5.900 1.00 0.00 C ATOM 518 C ILE A 53 33.050 5.524 -7.351 1.00 0.00 C ATOM 519 O ILE A 53 33.630 4.648 -7.993 1.00 0.00 O ATOM 520 CB ILE A 53 33.962 5.277 -5.047 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.604 5.176 -3.546 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.890 6.483 -5.330 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.782 4.814 -2.635 1.00 0.00 C ATOM 0 H ILE A 53 32.447 3.257 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 53 32.086 6.146 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 53 34.520 4.384 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.188 6.129 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.821 4.428 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.779 6.413 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 53 35.184 6.477 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.361 7.409 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.441 4.765 -1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 53 35.186 3.846 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.558 5.574 -2.725 1.00 0.00 H new ATOM 535 N ILE A 54 32.711 6.711 -7.897 1.00 0.00 N ATOM 536 CA ILE A 54 33.095 7.135 -9.228 1.00 0.00 C ATOM 537 C ILE A 54 33.632 8.552 -9.146 1.00 0.00 C ATOM 538 O ILE A 54 33.345 9.296 -8.208 1.00 0.00 O ATOM 539 CB ILE A 54 31.975 7.027 -10.278 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.699 7.852 -9.946 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.673 5.537 -10.559 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.707 7.194 -8.972 1.00 0.00 C ATOM 0 H ILE A 54 32.151 7.404 -7.401 1.00 0.00 H new ATOM 0 HA ILE A 54 33.865 6.447 -9.578 1.00 0.00 H new ATOM 0 HB ILE A 54 32.344 7.492 -11.192 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.008 8.810 -9.527 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.175 8.066 -10.878 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.880 5.460 -11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 54 32.572 5.048 -10.935 1.00 0.00 H new ATOM 0 HG23 ILE A 54 31.354 5.050 -9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.857 7.858 -8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.357 6.251 -9.391 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.203 7.006 -8.020 1.00 0.00 H new ATOM 554 N GLY A 55 34.459 8.970 -10.131 1.00 0.00 N ATOM 555 CA GLY A 55 35.052 10.296 -10.137 1.00 0.00 C ATOM 556 C GLY A 55 36.485 10.188 -10.557 1.00 0.00 C ATOM 557 O GLY A 55 36.846 9.336 -11.359 1.00 0.00 O ATOM 0 H GLY A 55 34.722 8.393 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.508 10.949 -10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.983 10.744 -9.146 1.00 0.00 H new ATOM 561 N ASN A 56 37.348 11.071 -10.013 1.00 0.00 N ATOM 562 CA ASN A 56 38.776 11.108 -10.306 1.00 0.00 C ATOM 563 C ASN A 56 39.536 9.812 -9.863 1.00 0.00 C ATOM 564 O ASN A 56 40.085 9.101 -10.743 1.00 0.00 O ATOM 565 CB ASN A 56 39.382 12.383 -9.637 1.00 0.00 C ATOM 566 CG ASN A 56 40.823 12.645 -10.083 1.00 0.00 C ATOM 567 OD1 ASN A 56 41.210 12.283 -11.194 1.00 0.00 O ATOM 568 ND2 ASN A 56 41.630 13.290 -9.202 1.00 0.00 N ATOM 569 OXT ASN A 56 39.578 9.560 -8.627 1.00 0.00 O ATOM 0 H ASN A 56 37.056 11.786 -9.347 1.00 0.00 H new ATOM 0 HA ASN A 56 38.902 11.151 -11.388 1.00 0.00 H new ATOM 0 HB2 ASN A 56 38.765 13.247 -9.883 1.00 0.00 H new ATOM 0 HB3 ASN A 56 39.354 12.270 -8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 56 42.598 13.492 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 56 41.268 13.572 -8.291 1.00 0.00 H new TER 576 ASN A 56