USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 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 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.459 K(o=0.46,f=-0.086) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) 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= 0.474 X(o=0.47,f=-0.01) USER MOD Single : A 31 ASN : amide:sc= -0.0551 K(o=-0.055,f=-0.6) USER MOD Single : A 44 GLN : amide:sc= 0.222 X(o=0.22,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.873 K(o=0.87,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.038) USER MOD Single : A 49 HIS : no HE2:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.392 12.990 -6.954 1.00 0.00 N ATOM 2 CA PHE A 17 34.616 11.947 -6.198 1.00 0.00 C ATOM 3 C PHE A 17 33.132 12.242 -5.965 1.00 0.00 C ATOM 4 O PHE A 17 32.751 13.205 -5.300 1.00 0.00 O ATOM 5 CB PHE A 17 35.379 11.712 -4.856 1.00 0.00 C ATOM 6 CG PHE A 17 34.757 10.699 -3.913 1.00 0.00 C ATOM 7 CD1 PHE A 17 34.157 9.513 -4.374 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.767 10.953 -2.529 1.00 0.00 C ATOM 9 CE1 PHE A 17 33.519 8.643 -3.481 1.00 0.00 C ATOM 10 CE2 PHE A 17 34.163 10.065 -1.630 1.00 0.00 C ATOM 11 CZ PHE A 17 33.530 8.912 -2.108 1.00 0.00 C ATOM 0 HA PHE A 17 34.573 11.051 -6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.394 11.389 -5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.460 12.665 -4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 17 34.189 9.271 -5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 17 35.247 11.845 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 17 33.017 7.762 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 17 34.186 10.270 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.051 8.232 -1.419 1.00 0.00 H new ATOM 23 N ASP A 18 32.250 11.363 -6.499 1.00 0.00 N ATOM 24 CA ASP A 18 30.862 11.270 -6.099 1.00 0.00 C ATOM 25 C ASP A 18 30.623 9.845 -5.621 1.00 0.00 C ATOM 26 O ASP A 18 31.296 8.907 -6.052 1.00 0.00 O ATOM 27 CB ASP A 18 29.895 11.613 -7.261 1.00 0.00 C ATOM 28 CG ASP A 18 30.033 13.077 -7.662 1.00 0.00 C ATOM 29 OD1 ASP A 18 29.697 13.948 -6.820 1.00 0.00 O ATOM 30 OD2 ASP A 18 30.440 13.331 -8.826 1.00 0.00 O ATOM 0 H ASP A 18 32.506 10.698 -7.229 1.00 0.00 H new ATOM 0 HA ASP A 18 30.664 11.993 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.108 10.974 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.868 11.409 -6.958 1.00 0.00 H new ATOM 35 N VAL A 19 29.649 9.648 -4.708 1.00 0.00 N ATOM 36 CA VAL A 19 29.279 8.329 -4.230 1.00 0.00 C ATOM 37 C VAL A 19 27.782 8.185 -4.412 1.00 0.00 C ATOM 38 O VAL A 19 27.017 9.113 -4.152 1.00 0.00 O ATOM 39 CB VAL A 19 29.728 8.085 -2.783 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.102 9.086 -1.788 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.474 6.621 -2.367 1.00 0.00 C ATOM 0 H VAL A 19 29.108 10.406 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 19 29.795 7.562 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 19 30.803 8.261 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.455 8.866 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.393 10.100 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.016 8.999 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.801 6.473 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.410 6.400 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.032 5.954 -3.024 1.00 0.00 H new ATOM 51 N VAL A 20 27.333 7.017 -4.921 1.00 0.00 N ATOM 52 CA VAL A 20 25.925 6.704 -5.114 1.00 0.00 C ATOM 53 C VAL A 20 25.661 5.339 -4.527 1.00 0.00 C ATOM 54 O VAL A 20 26.579 4.538 -4.353 1.00 0.00 O ATOM 55 CB VAL A 20 25.454 6.736 -6.575 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.583 8.170 -7.126 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.264 5.742 -7.437 1.00 0.00 C ATOM 0 H VAL A 20 27.957 6.264 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 20 25.357 7.486 -4.611 1.00 0.00 H new ATOM 0 HB VAL A 20 24.408 6.432 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.249 8.193 -8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.967 8.845 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.624 8.488 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.912 5.783 -8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.320 6.008 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.132 4.732 -7.049 1.00 0.00 H new ATOM 67 N SER A 21 24.389 5.035 -4.183 1.00 0.00 N ATOM 68 CA SER A 21 23.992 3.713 -3.732 1.00 0.00 C ATOM 69 C SER A 21 23.751 2.747 -4.886 1.00 0.00 C ATOM 70 O SER A 21 23.475 3.153 -6.013 1.00 0.00 O ATOM 71 CB SER A 21 22.738 3.750 -2.808 1.00 0.00 C ATOM 72 OG SER A 21 21.553 4.190 -3.472 1.00 0.00 O ATOM 0 H SER A 21 23.623 5.708 -4.215 1.00 0.00 H new ATOM 0 HA SER A 21 24.837 3.345 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.568 2.754 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.938 4.410 -1.964 1.00 0.00 H new ATOM 0 HG SER A 21 20.804 4.189 -2.840 1.00 0.00 H new ATOM 78 N CYS A 22 23.842 1.422 -4.615 1.00 0.00 N ATOM 79 CA CYS A 22 23.585 0.377 -5.601 1.00 0.00 C ATOM 80 C CYS A 22 22.311 -0.384 -5.295 1.00 0.00 C ATOM 81 O CYS A 22 22.134 -1.507 -5.760 1.00 0.00 O ATOM 82 CB CYS A 22 24.736 -0.656 -5.699 1.00 0.00 C ATOM 83 SG CYS A 22 26.292 0.099 -6.234 1.00 0.00 S ATOM 0 H CYS A 22 24.098 1.060 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 22 23.494 0.905 -6.550 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.880 -1.130 -4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.457 -1.443 -6.400 1.00 0.00 H new ATOM 88 N ASN A 23 21.407 0.212 -4.480 1.00 0.00 N ATOM 89 CA ASN A 23 20.095 -0.297 -4.086 1.00 0.00 C ATOM 90 C ASN A 23 20.032 -1.754 -3.616 1.00 0.00 C ATOM 91 O ASN A 23 19.083 -2.476 -3.920 1.00 0.00 O ATOM 92 CB ASN A 23 19.011 0.004 -5.184 1.00 0.00 C ATOM 93 CG ASN A 23 19.268 -0.580 -6.584 1.00 0.00 C ATOM 94 OD1 ASN A 23 19.504 0.167 -7.538 1.00 0.00 O ATOM 95 ND2 ASN A 23 19.175 -1.926 -6.719 1.00 0.00 N ATOM 0 H ASN A 23 21.600 1.121 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 23 19.866 0.266 -3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 23 18.052 -0.373 -4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.913 1.085 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.302 -2.357 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.978 -2.508 -5.905 1.00 0.00 H new ATOM 102 N LYS A 24 21.040 -2.214 -2.842 1.00 0.00 N ATOM 103 CA LYS A 24 21.115 -3.590 -2.391 1.00 0.00 C ATOM 104 C LYS A 24 21.425 -3.607 -0.907 1.00 0.00 C ATOM 105 O LYS A 24 22.269 -2.849 -0.423 1.00 0.00 O ATOM 106 CB LYS A 24 22.193 -4.383 -3.176 1.00 0.00 C ATOM 107 CG LYS A 24 22.315 -5.880 -2.826 1.00 0.00 C ATOM 108 CD LYS A 24 21.065 -6.697 -3.198 1.00 0.00 C ATOM 109 CE LYS A 24 21.302 -8.205 -3.132 1.00 0.00 C ATOM 110 NZ LYS A 24 20.064 -8.917 -3.505 1.00 0.00 N ATOM 0 H LYS A 24 21.814 -1.631 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 24 20.155 -4.073 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.978 -4.295 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.160 -3.910 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.180 -6.297 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.502 -5.982 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.250 -6.432 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.747 -6.428 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.112 -8.486 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.609 -8.491 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.227 -9.943 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.302 -8.658 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.789 -8.652 -4.473 1.00 0.00 H new ATOM 124 N ASN A 25 20.712 -4.476 -0.152 1.00 0.00 N ATOM 125 CA ASN A 25 20.810 -4.584 1.287 1.00 0.00 C ATOM 126 C ASN A 25 21.974 -5.487 1.683 1.00 0.00 C ATOM 127 O ASN A 25 22.095 -6.630 1.248 1.00 0.00 O ATOM 128 CB ASN A 25 19.482 -5.134 1.883 1.00 0.00 C ATOM 129 CG ASN A 25 19.465 -5.106 3.416 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.234 -4.058 4.020 1.00 0.00 O ATOM 131 ND2 ASN A 25 19.766 -6.269 4.051 1.00 0.00 N ATOM 0 H ASN A 25 20.041 -5.129 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 25 20.991 -3.588 1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.647 -4.545 1.504 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.331 -6.158 1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.808 -6.298 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 25 19.950 -7.113 3.509 1.00 0.00 H new ATOM 138 N CYS A 26 22.828 -4.960 2.575 1.00 0.00 N ATOM 139 CA CYS A 26 23.992 -5.586 3.156 1.00 0.00 C ATOM 140 C CYS A 26 23.690 -5.944 4.596 1.00 0.00 C ATOM 141 O CYS A 26 22.883 -5.292 5.251 1.00 0.00 O ATOM 142 CB CYS A 26 25.183 -4.604 3.020 1.00 0.00 C ATOM 143 SG CYS A 26 26.739 -4.976 3.867 1.00 0.00 S ATOM 0 H CYS A 26 22.699 -4.011 2.926 1.00 0.00 H new ATOM 0 HA CYS A 26 24.256 -6.511 2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 26 25.404 -4.503 1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.845 -3.628 3.369 1.00 0.00 H new ATOM 148 N THR A 27 24.296 -7.037 5.112 1.00 0.00 N ATOM 149 CA THR A 27 24.284 -7.338 6.538 1.00 0.00 C ATOM 150 C THR A 27 25.734 -7.673 6.814 1.00 0.00 C ATOM 151 O THR A 27 26.435 -8.110 5.902 1.00 0.00 O ATOM 152 CB THR A 27 23.430 -8.523 6.956 1.00 0.00 C ATOM 153 OG1 THR A 27 22.118 -8.426 6.418 1.00 0.00 O ATOM 154 CG2 THR A 27 23.219 -8.534 8.482 1.00 0.00 C ATOM 0 H THR A 27 24.799 -7.721 4.547 1.00 0.00 H new ATOM 0 HA THR A 27 23.857 -6.499 7.088 1.00 0.00 H new ATOM 0 HB THR A 27 23.955 -9.410 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.590 -9.202 6.701 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.605 -9.391 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 27 24.185 -8.603 8.982 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.718 -7.615 8.787 1.00 0.00 H new ATOM 162 N SER A 28 26.229 -7.511 8.058 1.00 0.00 N ATOM 163 CA SER A 28 27.639 -7.481 8.417 1.00 0.00 C ATOM 164 C SER A 28 28.470 -8.710 8.073 1.00 0.00 C ATOM 165 O SER A 28 29.559 -8.577 7.520 1.00 0.00 O ATOM 166 CB SER A 28 27.738 -7.249 9.947 1.00 0.00 C ATOM 167 OG SER A 28 27.083 -8.285 10.680 1.00 0.00 O ATOM 0 H SER A 28 25.619 -7.393 8.867 1.00 0.00 H new ATOM 0 HA SER A 28 28.063 -6.681 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.786 -7.202 10.241 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.292 -6.287 10.199 1.00 0.00 H new ATOM 0 HG SER A 28 27.026 -8.031 11.625 1.00 0.00 H new ATOM 173 N GLY A 29 27.958 -9.930 8.352 1.00 0.00 N ATOM 174 CA GLY A 29 28.680 -11.178 8.132 1.00 0.00 C ATOM 175 C GLY A 29 28.342 -11.845 6.832 1.00 0.00 C ATOM 176 O GLY A 29 28.777 -12.963 6.573 1.00 0.00 O ATOM 0 H GLY A 29 27.024 -10.064 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 29 29.751 -10.978 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 29 28.461 -11.864 8.950 1.00 0.00 H new ATOM 180 N GLN A 30 27.514 -11.194 5.994 1.00 0.00 N ATOM 181 CA GLN A 30 27.129 -11.708 4.690 1.00 0.00 C ATOM 182 C GLN A 30 27.647 -10.787 3.601 1.00 0.00 C ATOM 183 O GLN A 30 28.170 -11.250 2.592 1.00 0.00 O ATOM 184 CB GLN A 30 25.588 -11.860 4.601 1.00 0.00 C ATOM 185 CG GLN A 30 24.981 -12.888 5.595 1.00 0.00 C ATOM 186 CD GLN A 30 25.392 -14.344 5.328 1.00 0.00 C ATOM 187 OE1 GLN A 30 24.628 -15.105 4.730 1.00 0.00 O ATOM 188 NE2 GLN A 30 26.596 -14.759 5.801 1.00 0.00 N ATOM 0 H GLN A 30 27.096 -10.290 6.216 1.00 0.00 H new ATOM 0 HA GLN A 30 27.572 -12.694 4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.129 -10.887 4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.323 -12.156 3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 30 25.281 -12.618 6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 30 23.894 -12.816 5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 30 27.205 -14.104 6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.891 -15.726 5.666 1.00 0.00 H new ATOM 197 N ASN A 31 27.526 -9.453 3.815 1.00 0.00 N ATOM 198 CA ASN A 31 28.136 -8.358 3.079 1.00 0.00 C ATOM 199 C ASN A 31 27.812 -8.391 1.583 1.00 0.00 C ATOM 200 O ASN A 31 28.670 -8.263 0.713 1.00 0.00 O ATOM 201 CB ASN A 31 29.659 -8.336 3.403 1.00 0.00 C ATOM 202 CG ASN A 31 30.252 -6.924 3.399 1.00 0.00 C ATOM 203 OD1 ASN A 31 30.585 -6.339 2.368 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.380 -6.348 4.631 1.00 0.00 N ATOM 0 H ASN A 31 26.945 -9.104 4.577 1.00 0.00 H new ATOM 0 HA ASN A 31 27.705 -7.412 3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.823 -8.790 4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.189 -8.949 2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.761 -5.406 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.094 -6.860 5.466 1.00 0.00 H new ATOM 211 N GLU A 32 26.518 -8.612 1.259 1.00 0.00 N ATOM 212 CA GLU A 32 26.059 -8.914 -0.081 1.00 0.00 C ATOM 213 C GLU A 32 25.843 -7.670 -0.921 1.00 0.00 C ATOM 214 O GLU A 32 24.959 -6.868 -0.638 1.00 0.00 O ATOM 215 CB GLU A 32 24.736 -9.724 -0.019 1.00 0.00 C ATOM 216 CG GLU A 32 24.925 -11.140 0.578 1.00 0.00 C ATOM 217 CD GLU A 32 23.609 -11.914 0.658 1.00 0.00 C ATOM 218 OE1 GLU A 32 23.062 -12.263 -0.419 1.00 0.00 O ATOM 219 OE2 GLU A 32 23.152 -12.164 1.804 1.00 0.00 O ATOM 0 H GLU A 32 25.765 -8.581 1.946 1.00 0.00 H new ATOM 0 HA GLU A 32 26.844 -9.501 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.008 -9.177 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.321 -9.811 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.636 -11.698 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.357 -11.057 1.575 1.00 0.00 H new ATOM 226 N CYS A 33 26.638 -7.515 -2.005 1.00 0.00 N ATOM 227 CA CYS A 33 26.493 -6.464 -2.994 1.00 0.00 C ATOM 228 C CYS A 33 26.613 -7.091 -4.370 1.00 0.00 C ATOM 229 O CYS A 33 27.207 -8.167 -4.471 1.00 0.00 O ATOM 230 CB CYS A 33 27.575 -5.356 -2.865 1.00 0.00 C ATOM 231 SG CYS A 33 27.512 -4.473 -1.279 1.00 0.00 S ATOM 0 H CYS A 33 27.415 -8.145 -2.206 1.00 0.00 H new ATOM 0 HA CYS A 33 25.523 -5.993 -2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.561 -5.805 -2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.451 -4.640 -3.677 1.00 0.00 H new ATOM 236 N PRO A 34 26.104 -6.504 -5.459 1.00 0.00 N ATOM 237 CA PRO A 34 26.483 -6.900 -6.813 1.00 0.00 C ATOM 238 C PRO A 34 27.920 -6.491 -7.109 1.00 0.00 C ATOM 239 O PRO A 34 28.468 -5.618 -6.434 1.00 0.00 O ATOM 240 CB PRO A 34 25.488 -6.133 -7.703 1.00 0.00 C ATOM 241 CG PRO A 34 25.167 -4.870 -6.900 1.00 0.00 C ATOM 242 CD PRO A 34 25.152 -5.386 -5.462 1.00 0.00 C ATOM 0 HA PRO A 34 26.444 -7.977 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 34 25.925 -5.890 -8.671 1.00 0.00 H new ATOM 0 HB3 PRO A 34 24.591 -6.721 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 34 25.920 -4.095 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.207 -4.440 -7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.451 -4.609 -4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.155 -5.714 -5.169 1.00 0.00 H new ATOM 250 N GLU A 35 28.573 -7.130 -8.106 1.00 0.00 N ATOM 251 CA GLU A 35 29.964 -6.863 -8.426 1.00 0.00 C ATOM 252 C GLU A 35 30.175 -5.443 -8.939 1.00 0.00 C ATOM 253 O GLU A 35 29.414 -4.935 -9.760 1.00 0.00 O ATOM 254 CB GLU A 35 30.514 -7.870 -9.473 1.00 0.00 C ATOM 255 CG GLU A 35 30.578 -9.327 -8.949 1.00 0.00 C ATOM 256 CD GLU A 35 31.117 -10.297 -10.002 1.00 0.00 C ATOM 257 OE1 GLU A 35 30.444 -10.455 -11.053 1.00 0.00 O ATOM 258 OE2 GLU A 35 32.198 -10.891 -9.753 1.00 0.00 O ATOM 0 H GLU A 35 28.140 -7.838 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 35 30.514 -6.980 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 35 29.885 -7.839 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 35 31.513 -7.557 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 35 31.213 -9.365 -8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 29.582 -9.645 -8.641 1.00 0.00 H new ATOM 265 N GLY A 36 31.231 -4.764 -8.431 1.00 0.00 N ATOM 266 CA GLY A 36 31.499 -3.359 -8.715 1.00 0.00 C ATOM 267 C GLY A 36 30.999 -2.433 -7.636 1.00 0.00 C ATOM 268 O GLY A 36 31.367 -1.261 -7.610 1.00 0.00 O ATOM 0 H GLY A 36 31.918 -5.191 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.573 -3.218 -8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.031 -3.090 -9.662 1.00 0.00 H new ATOM 272 N CYS A 37 30.165 -2.940 -6.704 1.00 0.00 N ATOM 273 CA CYS A 37 29.647 -2.188 -5.576 1.00 0.00 C ATOM 274 C CYS A 37 30.218 -2.753 -4.289 1.00 0.00 C ATOM 275 O CYS A 37 30.627 -3.912 -4.228 1.00 0.00 O ATOM 276 CB CYS A 37 28.100 -2.228 -5.512 1.00 0.00 C ATOM 277 SG CYS A 37 27.338 -1.471 -6.980 1.00 0.00 S ATOM 0 H CYS A 37 29.835 -3.905 -6.729 1.00 0.00 H new ATOM 0 HA CYS A 37 29.948 -1.148 -5.704 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.767 -3.262 -5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.760 -1.706 -4.617 1.00 0.00 H new ATOM 282 N PHE A 38 30.281 -1.930 -3.220 1.00 0.00 N ATOM 283 CA PHE A 38 30.877 -2.329 -1.955 1.00 0.00 C ATOM 284 C PHE A 38 29.982 -1.858 -0.825 1.00 0.00 C ATOM 285 O PHE A 38 29.194 -0.931 -0.994 1.00 0.00 O ATOM 286 CB PHE A 38 32.332 -1.769 -1.790 1.00 0.00 C ATOM 287 CG PHE A 38 32.387 -0.265 -1.664 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.487 0.342 -0.399 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.199 0.545 -2.793 1.00 0.00 C ATOM 290 CE1 PHE A 38 32.410 1.735 -0.267 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.071 1.928 -2.658 1.00 0.00 C ATOM 292 CZ PHE A 38 32.196 2.530 -1.400 1.00 0.00 C ATOM 0 H PHE A 38 29.918 -0.977 -3.223 1.00 0.00 H new ATOM 0 HA PHE A 38 30.960 -3.416 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.787 -2.217 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.931 -2.076 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.624 -0.272 0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.153 0.095 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 38 32.515 2.194 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.875 2.537 -3.528 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.128 3.604 -1.304 1.00 0.00 H new ATOM 302 N CYS A 39 30.073 -2.490 0.363 1.00 0.00 N ATOM 303 CA CYS A 39 29.265 -2.144 1.518 1.00 0.00 C ATOM 304 C CYS A 39 30.081 -1.397 2.546 1.00 0.00 C ATOM 305 O CYS A 39 31.125 -1.857 3.006 1.00 0.00 O ATOM 306 CB CYS A 39 28.632 -3.419 2.137 1.00 0.00 C ATOM 307 SG CYS A 39 27.676 -3.195 3.665 1.00 0.00 S ATOM 0 H CYS A 39 30.720 -3.260 0.534 1.00 0.00 H new ATOM 0 HA CYS A 39 28.462 -1.485 1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.979 -3.872 1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.431 -4.133 2.337 1.00 0.00 H new ATOM 312 N GLY A 40 29.586 -0.209 2.959 1.00 0.00 N ATOM 313 CA GLY A 40 30.205 0.596 4.002 1.00 0.00 C ATOM 314 C GLY A 40 29.682 0.255 5.368 1.00 0.00 C ATOM 315 O GLY A 40 29.126 1.111 6.053 1.00 0.00 O ATOM 0 H GLY A 40 28.741 0.208 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.285 0.447 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.025 1.652 3.799 1.00 0.00 H new ATOM 319 N LEU A 41 29.861 -1.008 5.804 1.00 0.00 N ATOM 320 CA LEU A 41 29.505 -1.459 7.135 1.00 0.00 C ATOM 321 C LEU A 41 30.779 -1.656 7.914 1.00 0.00 C ATOM 322 O LEU A 41 31.650 -2.434 7.524 1.00 0.00 O ATOM 323 CB LEU A 41 28.685 -2.773 7.074 1.00 0.00 C ATOM 324 CG LEU A 41 28.187 -3.395 8.404 1.00 0.00 C ATOM 325 CD1 LEU A 41 29.259 -4.200 9.153 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.520 -2.378 9.347 1.00 0.00 C ATOM 0 H LEU A 41 30.264 -1.742 5.222 1.00 0.00 H new ATOM 0 HA LEU A 41 28.878 -0.715 7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 41 27.813 -2.591 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 41 29.294 -3.521 6.565 1.00 0.00 H new ATOM 0 HG LEU A 41 27.419 -4.100 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.835 -4.603 10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 41 29.605 -5.020 8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 41 30.099 -3.549 9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.196 -2.883 10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 41 28.234 -1.595 9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.656 -1.935 8.852 1.00 0.00 H new ATOM 338 N LEU A 42 30.925 -0.931 9.044 1.00 0.00 N ATOM 339 CA LEU A 42 32.132 -0.963 9.836 1.00 0.00 C ATOM 340 C LEU A 42 31.758 -1.452 11.216 1.00 0.00 C ATOM 341 O LEU A 42 30.707 -1.085 11.746 1.00 0.00 O ATOM 342 CB LEU A 42 32.797 0.427 10.006 1.00 0.00 C ATOM 343 CG LEU A 42 33.192 1.160 8.698 1.00 0.00 C ATOM 344 CD1 LEU A 42 33.836 0.246 7.638 1.00 0.00 C ATOM 345 CD2 LEU A 42 32.000 1.951 8.124 1.00 0.00 C ATOM 0 H LEU A 42 30.201 -0.315 9.415 1.00 0.00 H new ATOM 0 HA LEU A 42 32.843 -1.609 9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 42 32.115 1.067 10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 42 33.693 0.306 10.615 1.00 0.00 H new ATOM 0 HG LEU A 42 33.973 1.868 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 42 34.083 0.833 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 42 34.744 -0.199 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 42 33.136 -0.544 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 42 32.305 2.455 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 42 31.180 1.266 7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 42 31.670 2.692 8.853 1.00 0.00 H new ATOM 357 N GLY A 43 32.611 -2.299 11.841 1.00 0.00 N ATOM 358 CA GLY A 43 32.584 -2.544 13.283 1.00 0.00 C ATOM 359 C GLY A 43 31.463 -3.417 13.774 1.00 0.00 C ATOM 360 O GLY A 43 31.293 -3.575 14.979 1.00 0.00 O ATOM 0 H GLY A 43 33.333 -2.826 11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.530 -3.001 13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.524 -1.584 13.795 1.00 0.00 H new ATOM 364 N GLN A 44 30.666 -3.977 12.839 1.00 0.00 N ATOM 365 CA GLN A 44 29.434 -4.710 13.076 1.00 0.00 C ATOM 366 C GLN A 44 28.388 -3.904 13.856 1.00 0.00 C ATOM 367 O GLN A 44 27.730 -4.401 14.770 1.00 0.00 O ATOM 368 CB GLN A 44 29.727 -6.065 13.782 1.00 0.00 C ATOM 369 CG GLN A 44 28.589 -7.110 13.672 1.00 0.00 C ATOM 370 CD GLN A 44 28.417 -7.898 14.974 1.00 0.00 C ATOM 371 OE1 GLN A 44 28.684 -9.099 15.043 1.00 0.00 O ATOM 372 NE2 GLN A 44 27.932 -7.189 16.028 1.00 0.00 N ATOM 0 H GLN A 44 30.891 -3.918 11.846 1.00 0.00 H new ATOM 0 HA GLN A 44 29.000 -4.905 12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.636 -6.491 13.358 1.00 0.00 H new ATOM 0 HB3 GLN A 44 29.926 -5.874 14.837 1.00 0.00 H new ATOM 0 HG2 GLN A 44 27.655 -6.606 13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 44 28.805 -7.799 12.855 1.00 0.00 H new ATOM 0 HE21 GLN A 44 27.726 -6.196 15.923 1.00 0.00 H new ATOM 0 HE22 GLN A 44 27.775 -7.650 16.924 1.00 0.00 H new ATOM 381 N ASN A 45 28.217 -2.609 13.501 1.00 0.00 N ATOM 382 CA ASN A 45 27.269 -1.733 14.182 1.00 0.00 C ATOM 383 C ASN A 45 25.814 -2.004 13.862 1.00 0.00 C ATOM 384 O ASN A 45 24.986 -2.139 14.760 1.00 0.00 O ATOM 385 CB ASN A 45 27.553 -0.241 13.849 1.00 0.00 C ATOM 386 CG ASN A 45 28.752 0.270 14.651 1.00 0.00 C ATOM 387 OD1 ASN A 45 28.610 0.582 15.835 1.00 0.00 O ATOM 388 ND2 ASN A 45 29.951 0.366 14.024 1.00 0.00 N ATOM 0 H ASN A 45 28.730 -2.159 12.743 1.00 0.00 H new ATOM 0 HA ASN A 45 27.422 -1.947 15.240 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.749 -0.132 12.782 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.673 0.362 14.075 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.767 0.704 14.534 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.036 0.100 13.043 1.00 0.00 H new ATOM 395 N LYS A 46 25.483 -2.107 12.563 1.00 0.00 N ATOM 396 CA LYS A 46 24.148 -2.411 12.100 1.00 0.00 C ATOM 397 C LYS A 46 24.277 -3.351 10.913 1.00 0.00 C ATOM 398 O LYS A 46 24.913 -4.401 10.974 1.00 0.00 O ATOM 399 CB LYS A 46 23.343 -1.127 11.707 1.00 0.00 C ATOM 400 CG LYS A 46 23.025 -0.141 12.849 1.00 0.00 C ATOM 401 CD LYS A 46 22.010 -0.691 13.869 1.00 0.00 C ATOM 402 CE LYS A 46 21.489 0.387 14.820 1.00 0.00 C ATOM 403 NZ LYS A 46 20.575 -0.220 15.807 1.00 0.00 N ATOM 0 H LYS A 46 26.156 -1.977 11.807 1.00 0.00 H new ATOM 0 HA LYS A 46 23.586 -2.879 12.909 1.00 0.00 H new ATOM 0 HB2 LYS A 46 23.905 -0.593 10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.402 -1.439 11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.949 0.112 13.368 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.635 0.783 12.423 1.00 0.00 H new ATOM 0 HD2 LYS A 46 21.170 -1.137 13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.478 -1.487 14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.323 0.869 15.330 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.969 1.162 14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.223 0.516 16.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.773 -0.660 15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.085 -0.944 16.353 1.00 0.00 H new ATOM 417 N LYS A 47 23.658 -2.955 9.786 1.00 0.00 N ATOM 418 CA LYS A 47 23.550 -3.692 8.555 1.00 0.00 C ATOM 419 C LYS A 47 24.410 -3.144 7.423 1.00 0.00 C ATOM 420 O LYS A 47 25.144 -3.900 6.791 1.00 0.00 O ATOM 421 CB LYS A 47 22.041 -3.763 8.192 1.00 0.00 C ATOM 422 CG LYS A 47 21.313 -2.405 8.138 1.00 0.00 C ATOM 423 CD LYS A 47 19.859 -2.510 7.644 1.00 0.00 C ATOM 424 CE LYS A 47 18.937 -1.416 8.196 1.00 0.00 C ATOM 425 NZ LYS A 47 19.443 -0.076 7.839 1.00 0.00 N ATOM 0 H LYS A 47 23.195 -2.048 9.728 1.00 0.00 H new ATOM 0 HA LYS A 47 23.952 -4.694 8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.940 -4.250 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.538 -4.398 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.320 -1.958 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.864 -1.732 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.851 -2.464 6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.459 -3.485 7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.931 -1.548 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.866 -1.506 9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.762 0.646 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.357 0.086 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.568 -0.015 6.808 1.00 0.00 H new ATOM 439 N GLY A 48 24.403 -1.812 7.168 1.00 0.00 N ATOM 440 CA GLY A 48 25.090 -1.214 6.029 1.00 0.00 C ATOM 441 C GLY A 48 24.243 -1.215 4.781 1.00 0.00 C ATOM 442 O GLY A 48 23.114 -1.697 4.763 1.00 0.00 O ATOM 0 H GLY A 48 23.917 -1.134 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 48 25.370 -0.189 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 48 26.014 -1.760 5.838 1.00 0.00 H new ATOM 446 N HIS A 49 24.778 -0.655 3.677 1.00 0.00 N ATOM 447 CA HIS A 49 24.077 -0.629 2.412 1.00 0.00 C ATOM 448 C HIS A 49 25.152 -0.552 1.343 1.00 0.00 C ATOM 449 O HIS A 49 26.272 -0.130 1.637 1.00 0.00 O ATOM 450 CB HIS A 49 23.105 0.578 2.332 1.00 0.00 C ATOM 451 CG HIS A 49 22.161 0.550 1.163 1.00 0.00 C ATOM 452 ND1 HIS A 49 21.133 -0.378 1.147 1.00 0.00 N ATOM 453 CD2 HIS A 49 22.107 1.337 0.057 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.478 -0.132 0.031 1.00 0.00 C ATOM 455 NE2 HIS A 49 21.022 0.895 -0.668 1.00 0.00 N ATOM 0 H HIS A 49 25.699 -0.217 3.654 1.00 0.00 H new ATOM 0 HA HIS A 49 23.457 -1.516 2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.521 0.618 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.691 1.496 2.286 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.928 -1.093 1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.777 2.144 -0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.608 -0.685 -0.290 1.00 0.00 H new ATOM 463 N CYS A 50 24.874 -1.010 0.098 1.00 0.00 N ATOM 464 CA CYS A 50 25.882 -1.072 -0.957 1.00 0.00 C ATOM 465 C CYS A 50 26.016 0.223 -1.749 1.00 0.00 C ATOM 466 O CYS A 50 25.017 0.828 -2.148 1.00 0.00 O ATOM 467 CB CYS A 50 25.586 -2.208 -1.961 1.00 0.00 C ATOM 468 SG CYS A 50 25.593 -3.826 -1.144 1.00 0.00 S ATOM 0 H CYS A 50 23.952 -1.340 -0.188 1.00 0.00 H new ATOM 0 HA CYS A 50 26.818 -1.257 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.617 -2.039 -2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.331 -2.197 -2.757 1.00 0.00 H new ATOM 473 N TYR A 51 27.272 0.666 -2.013 1.00 0.00 N ATOM 474 CA TYR A 51 27.565 1.942 -2.650 1.00 0.00 C ATOM 475 C TYR A 51 28.466 1.686 -3.853 1.00 0.00 C ATOM 476 O TYR A 51 29.133 0.654 -3.941 1.00 0.00 O ATOM 477 CB TYR A 51 28.390 2.954 -1.803 1.00 0.00 C ATOM 478 CG TYR A 51 27.895 3.185 -0.402 1.00 0.00 C ATOM 479 CD1 TYR A 51 26.547 3.120 -0.007 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.880 3.392 0.577 1.00 0.00 C ATOM 481 CE1 TYR A 51 26.211 3.159 1.355 1.00 0.00 C ATOM 482 CE2 TYR A 51 28.544 3.445 1.934 1.00 0.00 C ATOM 483 CZ TYR A 51 27.207 3.314 2.326 1.00 0.00 C ATOM 484 OH TYR A 51 26.858 3.308 3.693 1.00 0.00 O ATOM 0 H TYR A 51 28.107 0.129 -1.781 1.00 0.00 H new ATOM 0 HA TYR A 51 26.581 2.364 -2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.420 2.602 -1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.405 3.910 -2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.770 3.040 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.911 3.512 0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 51 25.178 3.069 1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 51 29.315 3.587 2.677 1.00 0.00 H new ATOM 0 HH TYR A 51 27.665 3.425 4.237 1.00 0.00 H new ATOM 494 N LYS A 52 28.533 2.662 -4.786 1.00 0.00 N ATOM 495 CA LYS A 52 29.544 2.728 -5.826 1.00 0.00 C ATOM 496 C LYS A 52 30.300 4.053 -5.740 1.00 0.00 C ATOM 497 O LYS A 52 29.703 5.118 -5.573 1.00 0.00 O ATOM 498 CB LYS A 52 28.920 2.577 -7.236 1.00 0.00 C ATOM 499 CG LYS A 52 29.941 2.587 -8.387 1.00 0.00 C ATOM 500 CD LYS A 52 29.325 2.394 -9.784 1.00 0.00 C ATOM 501 CE LYS A 52 28.289 3.456 -10.155 1.00 0.00 C ATOM 502 NZ LYS A 52 28.139 3.494 -11.620 1.00 0.00 N ATOM 0 H LYS A 52 27.866 3.433 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 52 30.235 1.900 -5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 52 28.358 1.644 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.206 3.386 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.481 3.533 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.673 1.798 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 52 30.123 2.403 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.857 1.411 -9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 52 27.332 3.228 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 52 28.602 4.432 -9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 27.435 4.215 -11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 29.053 3.730 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.823 2.564 -11.961 1.00 0.00 H new ATOM 516 N ILE A 53 31.653 3.999 -5.860 1.00 0.00 N ATOM 517 CA ILE A 53 32.545 5.142 -6.024 1.00 0.00 C ATOM 518 C ILE A 53 32.690 5.471 -7.497 1.00 0.00 C ATOM 519 O ILE A 53 33.039 4.611 -8.305 1.00 0.00 O ATOM 520 CB ILE A 53 33.935 4.912 -5.407 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.857 4.801 -3.866 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.959 5.989 -5.846 1.00 0.00 C ATOM 523 CD1 ILE A 53 35.112 4.207 -3.216 1.00 0.00 C ATOM 0 H ILE A 53 32.158 3.113 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 53 32.092 5.977 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 53 34.297 3.958 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.680 5.793 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.997 4.186 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.925 5.783 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 53 35.064 5.970 -6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.609 6.973 -5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.976 4.164 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 53 35.280 3.201 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.973 4.833 -3.449 1.00 0.00 H new ATOM 535 N ILE A 54 32.443 6.747 -7.870 1.00 0.00 N ATOM 536 CA ILE A 54 32.709 7.269 -9.197 1.00 0.00 C ATOM 537 C ILE A 54 33.453 8.589 -9.105 1.00 0.00 C ATOM 538 O ILE A 54 33.396 9.300 -8.100 1.00 0.00 O ATOM 539 CB ILE A 54 31.459 7.410 -10.078 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.349 8.308 -9.467 1.00 0.00 C ATOM 541 CG2 ILE A 54 30.959 6.012 -10.496 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.404 7.629 -8.457 1.00 0.00 C ATOM 0 H ILE A 54 32.047 7.441 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 54 33.335 6.527 -9.693 1.00 0.00 H new ATOM 0 HB ILE A 54 31.750 7.953 -10.978 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.826 9.155 -8.974 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.747 8.711 -10.282 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.072 6.115 -11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 54 31.740 5.499 -11.056 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.711 5.433 -9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.672 8.354 -8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.887 6.801 -8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 54 29.983 7.252 -7.614 1.00 0.00 H new ATOM 554 N GLY A 55 34.199 8.948 -10.176 1.00 0.00 N ATOM 555 CA GLY A 55 35.039 10.134 -10.210 1.00 0.00 C ATOM 556 C GLY A 55 36.485 9.732 -10.143 1.00 0.00 C ATOM 557 O GLY A 55 36.866 8.668 -10.621 1.00 0.00 O ATOM 0 H GLY A 55 34.224 8.407 -11.041 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.850 10.699 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.794 10.789 -9.374 1.00 0.00 H new