USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=4 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 Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.575 K(o=0.57,f=-4.9!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.53) 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 Single : A 56 ASN : amide:sc= 0.569 K(o=0.57,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.388 12.927 -7.554 1.00 0.00 N ATOM 2 CA PHE A 17 34.614 11.963 -6.700 1.00 0.00 C ATOM 3 C PHE A 17 33.135 12.295 -6.493 1.00 0.00 C ATOM 4 O PHE A 17 32.767 13.294 -5.876 1.00 0.00 O ATOM 5 CB PHE A 17 35.381 11.855 -5.343 1.00 0.00 C ATOM 6 CG PHE A 17 34.798 10.921 -4.298 1.00 0.00 C ATOM 7 CD1 PHE A 17 35.011 11.229 -2.941 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.004 9.801 -4.611 1.00 0.00 C ATOM 9 CE1 PHE A 17 34.440 10.454 -1.924 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.405 9.046 -3.597 1.00 0.00 C ATOM 11 CZ PHE A 17 33.627 9.363 -2.254 1.00 0.00 C ATOM 0 HA PHE A 17 34.567 11.009 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.401 11.534 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.445 12.853 -4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 17 35.626 12.078 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 17 33.856 9.522 -5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 17 34.626 10.697 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 17 32.767 8.213 -3.854 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.173 8.769 -1.474 1.00 0.00 H new ATOM 23 N ASP A 18 32.241 11.405 -6.990 1.00 0.00 N ATOM 24 CA ASP A 18 30.854 11.353 -6.583 1.00 0.00 C ATOM 25 C ASP A 18 30.611 9.986 -5.958 1.00 0.00 C ATOM 26 O ASP A 18 31.223 8.992 -6.351 1.00 0.00 O ATOM 27 CB ASP A 18 29.889 11.566 -7.778 1.00 0.00 C ATOM 28 CG ASP A 18 30.041 12.972 -8.345 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.453 13.087 -9.529 1.00 0.00 O ATOM 30 OD2 ASP A 18 29.698 13.937 -7.614 1.00 0.00 O ATOM 0 H ASP A 18 32.486 10.705 -7.690 1.00 0.00 H new ATOM 0 HA ASP A 18 30.658 12.156 -5.872 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.096 10.830 -8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.860 11.408 -7.455 1.00 0.00 H new ATOM 35 N VAL A 19 29.695 9.906 -4.969 1.00 0.00 N ATOM 36 CA VAL A 19 29.283 8.645 -4.381 1.00 0.00 C ATOM 37 C VAL A 19 27.790 8.526 -4.599 1.00 0.00 C ATOM 38 O VAL A 19 27.040 9.488 -4.433 1.00 0.00 O ATOM 39 CB VAL A 19 29.667 8.517 -2.899 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.029 9.613 -2.017 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.353 7.099 -2.374 1.00 0.00 C ATOM 0 H VAL A 19 29.230 10.720 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 19 29.810 7.822 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 19 30.744 8.673 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.336 9.471 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.357 10.594 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.943 9.549 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.633 7.030 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.287 6.900 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.918 6.365 -2.949 1.00 0.00 H new ATOM 51 N VAL A 20 27.330 7.334 -5.032 1.00 0.00 N ATOM 52 CA VAL A 20 25.922 7.038 -5.232 1.00 0.00 C ATOM 53 C VAL A 20 25.632 5.717 -4.562 1.00 0.00 C ATOM 54 O VAL A 20 26.538 4.926 -4.296 1.00 0.00 O ATOM 55 CB VAL A 20 25.480 6.985 -6.701 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.665 8.370 -7.352 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.289 5.929 -7.481 1.00 0.00 C ATOM 0 H VAL A 20 27.944 6.550 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 20 25.353 7.859 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 20 24.427 6.705 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.350 8.327 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.061 9.105 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.715 8.658 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.957 5.910 -8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.349 6.181 -7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.134 4.948 -7.033 1.00 0.00 H new ATOM 67 N SER A 21 24.347 5.431 -4.255 1.00 0.00 N ATOM 68 CA SER A 21 23.943 4.124 -3.772 1.00 0.00 C ATOM 69 C SER A 21 23.864 3.108 -4.903 1.00 0.00 C ATOM 70 O SER A 21 23.651 3.442 -6.066 1.00 0.00 O ATOM 71 CB SER A 21 22.588 4.176 -3.005 1.00 0.00 C ATOM 72 OG SER A 21 21.506 4.582 -3.843 1.00 0.00 O ATOM 0 H SER A 21 23.582 6.101 -4.339 1.00 0.00 H new ATOM 0 HA SER A 21 24.715 3.804 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.372 3.193 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.674 4.867 -2.166 1.00 0.00 H new ATOM 0 HG SER A 21 20.677 4.599 -3.321 1.00 0.00 H new ATOM 78 N CYS A 22 24.043 1.810 -4.571 1.00 0.00 N ATOM 79 CA CYS A 22 23.961 0.720 -5.533 1.00 0.00 C ATOM 80 C CYS A 22 22.556 0.131 -5.524 1.00 0.00 C ATOM 81 O CYS A 22 22.198 -0.701 -6.354 1.00 0.00 O ATOM 82 CB CYS A 22 25.011 -0.359 -5.173 1.00 0.00 C ATOM 83 SG CYS A 22 25.368 -1.578 -6.474 1.00 0.00 S ATOM 0 H CYS A 22 24.249 1.502 -3.621 1.00 0.00 H new ATOM 0 HA CYS A 22 24.170 1.094 -6.535 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.941 0.141 -4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.668 -0.892 -4.286 1.00 0.00 H new ATOM 88 N ASN A 23 21.738 0.577 -4.540 1.00 0.00 N ATOM 89 CA ASN A 23 20.406 0.111 -4.193 1.00 0.00 C ATOM 90 C ASN A 23 20.376 -1.376 -3.837 1.00 0.00 C ATOM 91 O ASN A 23 19.509 -2.135 -4.266 1.00 0.00 O ATOM 92 CB ASN A 23 19.396 0.476 -5.324 1.00 0.00 C ATOM 93 CG ASN A 23 17.948 0.406 -4.831 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.652 0.774 -3.690 1.00 0.00 O ATOM 95 ND2 ASN A 23 17.023 -0.045 -5.715 1.00 0.00 N ATOM 0 H ASN A 23 22.034 1.336 -3.927 1.00 0.00 H new ATOM 0 HA ASN A 23 20.096 0.629 -3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.608 1.480 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.528 -0.205 -6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.040 -0.090 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.311 -0.339 -6.648 1.00 0.00 H new ATOM 102 N LYS A 24 21.351 -1.814 -3.011 1.00 0.00 N ATOM 103 CA LYS A 24 21.442 -3.172 -2.524 1.00 0.00 C ATOM 104 C LYS A 24 21.697 -3.095 -1.029 1.00 0.00 C ATOM 105 O LYS A 24 22.501 -2.282 -0.570 1.00 0.00 O ATOM 106 CB LYS A 24 22.588 -3.946 -3.221 1.00 0.00 C ATOM 107 CG LYS A 24 22.714 -5.431 -2.842 1.00 0.00 C ATOM 108 CD LYS A 24 21.561 -6.274 -3.407 1.00 0.00 C ATOM 109 CE LYS A 24 21.819 -7.777 -3.323 1.00 0.00 C ATOM 110 NZ LYS A 24 20.693 -8.503 -3.942 1.00 0.00 N ATOM 0 H LYS A 24 22.099 -1.211 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 24 20.518 -3.708 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.446 -3.876 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.530 -3.449 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.662 -5.820 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.734 -5.527 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.646 -6.038 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.394 -5.998 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.750 -8.026 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.933 -8.080 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.867 -9.527 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.813 -8.273 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.605 -8.221 -4.939 1.00 0.00 H new ATOM 124 N ASN A 25 20.989 -3.930 -0.235 1.00 0.00 N ATOM 125 CA ASN A 25 21.076 -3.990 1.212 1.00 0.00 C ATOM 126 C ASN A 25 22.133 -5.018 1.598 1.00 0.00 C ATOM 127 O ASN A 25 22.153 -6.115 1.043 1.00 0.00 O ATOM 128 CB ASN A 25 19.686 -4.386 1.792 1.00 0.00 C ATOM 129 CG ASN A 25 19.549 -4.240 3.314 1.00 0.00 C ATOM 130 OD1 ASN A 25 18.883 -3.322 3.797 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.175 -5.167 4.082 1.00 0.00 N ATOM 0 H ASN A 25 20.320 -4.600 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 25 21.359 -3.019 1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.922 -3.773 1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.479 -5.421 1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.104 -5.120 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.717 -5.911 3.643 1.00 0.00 H new ATOM 138 N CYS A 26 23.010 -4.711 2.582 1.00 0.00 N ATOM 139 CA CYS A 26 24.005 -5.656 3.055 1.00 0.00 C ATOM 140 C CYS A 26 23.961 -5.772 4.570 1.00 0.00 C ATOM 141 O CYS A 26 23.600 -4.842 5.285 1.00 0.00 O ATOM 142 CB CYS A 26 25.426 -5.270 2.544 1.00 0.00 C ATOM 143 SG CYS A 26 25.981 -3.598 3.007 1.00 0.00 S ATOM 0 H CYS A 26 23.035 -3.808 3.055 1.00 0.00 H new ATOM 0 HA CYS A 26 23.769 -6.638 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.144 -5.995 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.440 -5.354 1.457 1.00 0.00 H new ATOM 148 N THR A 27 24.319 -6.959 5.102 1.00 0.00 N ATOM 149 CA THR A 27 24.232 -7.283 6.523 1.00 0.00 C ATOM 150 C THR A 27 25.622 -7.731 6.895 1.00 0.00 C ATOM 151 O THR A 27 26.328 -8.271 6.045 1.00 0.00 O ATOM 152 CB THR A 27 23.217 -8.370 6.860 1.00 0.00 C ATOM 153 OG1 THR A 27 21.924 -7.995 6.404 1.00 0.00 O ATOM 154 CG2 THR A 27 23.086 -8.603 8.378 1.00 0.00 C ATOM 0 H THR A 27 24.682 -7.727 4.537 1.00 0.00 H new ATOM 0 HA THR A 27 23.883 -6.414 7.080 1.00 0.00 H new ATOM 0 HB THR A 27 23.578 -9.276 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.282 -8.701 6.625 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.351 -9.386 8.564 1.00 0.00 H new ATOM 0 HG22 THR A 27 24.051 -8.907 8.784 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.763 -7.681 8.861 1.00 0.00 H new ATOM 162 N SER A 28 26.076 -7.493 8.147 1.00 0.00 N ATOM 163 CA SER A 28 27.481 -7.472 8.529 1.00 0.00 C ATOM 164 C SER A 28 28.298 -8.724 8.267 1.00 0.00 C ATOM 165 O SER A 28 29.425 -8.612 7.787 1.00 0.00 O ATOM 166 CB SER A 28 27.604 -7.113 10.038 1.00 0.00 C ATOM 167 OG SER A 28 26.936 -8.066 10.869 1.00 0.00 O ATOM 0 H SER A 28 25.448 -7.307 8.929 1.00 0.00 H new ATOM 0 HA SER A 28 27.911 -6.720 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.657 -7.065 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.183 -6.122 10.211 1.00 0.00 H new ATOM 0 HG SER A 28 27.037 -7.808 11.809 1.00 0.00 H new ATOM 173 N GLY A 29 27.762 -9.936 8.539 1.00 0.00 N ATOM 174 CA GLY A 29 28.464 -11.177 8.233 1.00 0.00 C ATOM 175 C GLY A 29 28.387 -11.567 6.782 1.00 0.00 C ATOM 176 O GLY A 29 29.390 -11.909 6.163 1.00 0.00 O ATOM 0 H GLY A 29 26.847 -10.068 8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 29 29.511 -11.073 8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 29 28.047 -11.981 8.840 1.00 0.00 H new ATOM 180 N GLN A 30 27.162 -11.549 6.216 1.00 0.00 N ATOM 181 CA GLN A 30 26.858 -11.993 4.869 1.00 0.00 C ATOM 182 C GLN A 30 27.475 -11.110 3.783 1.00 0.00 C ATOM 183 O GLN A 30 28.026 -11.607 2.803 1.00 0.00 O ATOM 184 CB GLN A 30 25.324 -12.039 4.638 1.00 0.00 C ATOM 185 CG GLN A 30 24.528 -12.984 5.571 1.00 0.00 C ATOM 186 CD GLN A 30 24.045 -12.249 6.829 1.00 0.00 C ATOM 187 OE1 GLN A 30 24.833 -11.852 7.693 1.00 0.00 O ATOM 188 NE2 GLN A 30 22.707 -12.023 6.925 1.00 0.00 N ATOM 0 H GLN A 30 26.339 -11.210 6.714 1.00 0.00 H new ATOM 0 HA GLN A 30 27.296 -12.988 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 30 24.928 -11.030 4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.140 -12.339 3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 30 23.672 -13.392 5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 30 25.155 -13.828 5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.079 -12.362 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 30 22.332 -11.514 7.725 1.00 0.00 H new ATOM 197 N ASN A 31 27.379 -9.771 3.967 1.00 0.00 N ATOM 198 CA ASN A 31 28.040 -8.698 3.242 1.00 0.00 C ATOM 199 C ASN A 31 27.851 -8.728 1.711 1.00 0.00 C ATOM 200 O ASN A 31 28.791 -8.553 0.941 1.00 0.00 O ATOM 201 CB ASN A 31 29.536 -8.661 3.700 1.00 0.00 C ATOM 202 CG ASN A 31 30.152 -7.255 3.652 1.00 0.00 C ATOM 203 OD1 ASN A 31 30.428 -6.668 2.606 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.361 -6.672 4.869 1.00 0.00 N ATOM 0 H ASN A 31 26.776 -9.397 4.700 1.00 0.00 H new ATOM 0 HA ASN A 31 27.554 -7.757 3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.607 -9.047 4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.120 -9.328 3.065 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.753 -5.732 4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.125 -7.177 5.723 1.00 0.00 H new ATOM 211 N GLU A 32 26.606 -8.957 1.213 1.00 0.00 N ATOM 212 CA GLU A 32 26.327 -8.990 -0.219 1.00 0.00 C ATOM 213 C GLU A 32 26.285 -7.612 -0.861 1.00 0.00 C ATOM 214 O GLU A 32 25.460 -6.779 -0.498 1.00 0.00 O ATOM 215 CB GLU A 32 24.951 -9.634 -0.577 1.00 0.00 C ATOM 216 CG GLU A 32 24.797 -11.143 -0.262 1.00 0.00 C ATOM 217 CD GLU A 32 24.345 -11.450 1.164 1.00 0.00 C ATOM 218 OE1 GLU A 32 24.041 -12.645 1.419 1.00 0.00 O ATOM 219 OE2 GLU A 32 24.287 -10.512 2.005 1.00 0.00 O ATOM 0 H GLU A 32 25.787 -9.120 1.799 1.00 0.00 H new ATOM 0 HA GLU A 32 27.156 -9.586 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.170 -9.092 -0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.771 -9.487 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.078 -11.575 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.751 -11.638 -0.441 1.00 0.00 H new ATOM 226 N CYS A 33 27.114 -7.378 -1.900 1.00 0.00 N ATOM 227 CA CYS A 33 26.904 -6.324 -2.873 1.00 0.00 C ATOM 228 C CYS A 33 27.180 -6.957 -4.226 1.00 0.00 C ATOM 229 O CYS A 33 27.922 -7.942 -4.252 1.00 0.00 O ATOM 230 CB CYS A 33 27.842 -5.101 -2.693 1.00 0.00 C ATOM 231 SG CYS A 33 27.638 -4.249 -1.100 1.00 0.00 S ATOM 0 H CYS A 33 27.953 -7.931 -2.075 1.00 0.00 H new ATOM 0 HA CYS A 33 25.891 -5.937 -2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.876 -5.431 -2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.658 -4.392 -3.500 1.00 0.00 H new ATOM 236 N PRO A 34 26.651 -6.497 -5.361 1.00 0.00 N ATOM 237 CA PRO A 34 27.118 -6.921 -6.679 1.00 0.00 C ATOM 238 C PRO A 34 28.491 -6.336 -6.986 1.00 0.00 C ATOM 239 O PRO A 34 28.915 -5.375 -6.343 1.00 0.00 O ATOM 240 CB PRO A 34 26.045 -6.372 -7.634 1.00 0.00 C ATOM 241 CG PRO A 34 25.526 -5.122 -6.923 1.00 0.00 C ATOM 242 CD PRO A 34 25.549 -5.535 -5.453 1.00 0.00 C ATOM 0 HA PRO A 34 27.240 -8.001 -6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.465 -6.131 -8.611 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.248 -7.097 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.162 -4.257 -7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.522 -4.857 -7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.715 -4.677 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.603 -5.985 -5.152 1.00 0.00 H new ATOM 250 N GLU A 35 29.223 -6.919 -7.963 1.00 0.00 N ATOM 251 CA GLU A 35 30.579 -6.517 -8.292 1.00 0.00 C ATOM 252 C GLU A 35 30.655 -5.078 -8.795 1.00 0.00 C ATOM 253 O GLU A 35 29.898 -4.663 -9.670 1.00 0.00 O ATOM 254 CB GLU A 35 31.184 -7.484 -9.347 1.00 0.00 C ATOM 255 CG GLU A 35 32.659 -7.203 -9.738 1.00 0.00 C ATOM 256 CD GLU A 35 33.191 -8.231 -10.740 1.00 0.00 C ATOM 257 OE1 GLU A 35 33.567 -7.813 -11.865 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.235 -9.434 -10.377 1.00 0.00 O ATOM 0 H GLU A 35 28.873 -7.684 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 35 31.161 -6.568 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 35 31.115 -8.502 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 35 30.572 -7.440 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 35 32.737 -6.204 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 35 33.280 -7.214 -8.842 1.00 0.00 H new ATOM 265 N GLY A 36 31.589 -4.281 -8.222 1.00 0.00 N ATOM 266 CA GLY A 36 31.710 -2.854 -8.493 1.00 0.00 C ATOM 267 C GLY A 36 31.097 -2.005 -7.411 1.00 0.00 C ATOM 268 O GLY A 36 31.362 -0.807 -7.344 1.00 0.00 O ATOM 0 H GLY A 36 32.279 -4.627 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.764 -2.596 -8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.229 -2.627 -9.444 1.00 0.00 H new ATOM 272 N CYS A 37 30.283 -2.607 -6.519 1.00 0.00 N ATOM 273 CA CYS A 37 29.682 -1.930 -5.387 1.00 0.00 C ATOM 274 C CYS A 37 30.253 -2.481 -4.093 1.00 0.00 C ATOM 275 O CYS A 37 30.718 -3.618 -4.033 1.00 0.00 O ATOM 276 CB CYS A 37 28.139 -2.078 -5.376 1.00 0.00 C ATOM 277 SG CYS A 37 27.350 -1.303 -6.822 1.00 0.00 S ATOM 0 H CYS A 37 30.031 -3.593 -6.580 1.00 0.00 H new ATOM 0 HA CYS A 37 29.916 -0.869 -5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.880 -3.136 -5.349 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.741 -1.629 -4.466 1.00 0.00 H new ATOM 282 N PHE A 38 30.252 -1.666 -3.014 1.00 0.00 N ATOM 283 CA PHE A 38 30.823 -2.051 -1.731 1.00 0.00 C ATOM 284 C PHE A 38 29.883 -1.675 -0.603 1.00 0.00 C ATOM 285 O PHE A 38 29.047 -0.785 -0.742 1.00 0.00 O ATOM 286 CB PHE A 38 32.239 -1.426 -1.503 1.00 0.00 C ATOM 287 CG PHE A 38 32.206 0.077 -1.430 1.00 0.00 C ATOM 288 CD1 PHE A 38 32.103 0.832 -2.607 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.251 0.741 -0.191 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.948 2.216 -2.547 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.154 2.137 -0.130 1.00 0.00 C ATOM 292 CZ PHE A 38 31.986 2.874 -1.309 1.00 0.00 C ATOM 0 H PHE A 38 29.853 -0.727 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 38 30.950 -3.133 -1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.662 -1.821 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.901 -1.732 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 38 32.144 0.338 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 38 32.361 0.171 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.799 2.782 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.209 2.643 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.886 3.948 -1.265 1.00 0.00 H new ATOM 302 N CYS A 39 29.995 -2.380 0.544 1.00 0.00 N ATOM 303 CA CYS A 39 29.054 -2.315 1.647 1.00 0.00 C ATOM 304 C CYS A 39 29.453 -1.273 2.663 1.00 0.00 C ATOM 305 O CYS A 39 30.553 -1.304 3.214 1.00 0.00 O ATOM 306 CB CYS A 39 28.946 -3.708 2.331 1.00 0.00 C ATOM 307 SG CYS A 39 27.833 -3.856 3.768 1.00 0.00 S ATOM 0 H CYS A 39 30.768 -3.022 0.717 1.00 0.00 H new ATOM 0 HA CYS A 39 28.084 -2.028 1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.622 -4.428 1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.946 -4.006 2.648 1.00 0.00 H new ATOM 312 N GLY A 40 28.533 -0.334 2.980 1.00 0.00 N ATOM 313 CA GLY A 40 28.756 0.653 4.022 1.00 0.00 C ATOM 314 C GLY A 40 28.411 0.159 5.395 1.00 0.00 C ATOM 315 O GLY A 40 27.552 0.731 6.060 1.00 0.00 O ATOM 0 H GLY A 40 27.628 -0.252 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.803 0.957 4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.163 1.541 3.804 1.00 0.00 H new ATOM 319 N LEU A 41 29.083 -0.913 5.854 1.00 0.00 N ATOM 320 CA LEU A 41 28.943 -1.429 7.199 1.00 0.00 C ATOM 321 C LEU A 41 30.296 -1.309 7.856 1.00 0.00 C ATOM 322 O LEU A 41 31.293 -1.834 7.360 1.00 0.00 O ATOM 323 CB LEU A 41 28.437 -2.894 7.165 1.00 0.00 C ATOM 324 CG LEU A 41 28.182 -3.610 8.515 1.00 0.00 C ATOM 325 CD1 LEU A 41 29.455 -4.123 9.209 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.331 -2.776 9.484 1.00 0.00 C ATOM 0 H LEU A 41 29.743 -1.441 5.283 1.00 0.00 H new ATOM 0 HA LEU A 41 28.205 -0.866 7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 41 27.507 -2.912 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 41 29.163 -3.485 6.606 1.00 0.00 H new ATOM 0 HG LEU A 41 27.606 -4.493 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 41 29.187 -4.611 10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 29.961 -4.838 8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 41 30.121 -3.285 9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.187 -3.330 10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.840 -1.836 9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.362 -2.569 9.031 1.00 0.00 H new ATOM 338 N LEU A 42 30.366 -0.583 8.992 1.00 0.00 N ATOM 339 CA LEU A 42 31.614 -0.271 9.651 1.00 0.00 C ATOM 340 C LEU A 42 31.556 -0.862 11.042 1.00 0.00 C ATOM 341 O LEU A 42 30.496 -0.895 11.669 1.00 0.00 O ATOM 342 CB LEU A 42 31.869 1.251 9.809 1.00 0.00 C ATOM 343 CG LEU A 42 31.910 2.081 8.501 1.00 0.00 C ATOM 344 CD1 LEU A 42 32.770 1.454 7.387 1.00 0.00 C ATOM 345 CD2 LEU A 42 30.486 2.389 8.001 1.00 0.00 C ATOM 0 H LEU A 42 29.546 -0.204 9.465 1.00 0.00 H new ATOM 0 HA LEU A 42 32.416 -0.678 9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 42 31.091 1.663 10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 42 32.817 1.387 10.330 1.00 0.00 H new ATOM 0 HG LEU A 42 32.405 3.017 8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 42 32.747 2.095 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 42 33.798 1.352 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 42 32.374 0.471 7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 42 30.541 2.972 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.959 1.455 7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 42 29.949 2.958 8.760 1.00 0.00 H new ATOM 357 N GLY A 43 32.706 -1.351 11.567 1.00 0.00 N ATOM 358 CA GLY A 43 32.852 -1.680 12.983 1.00 0.00 C ATOM 359 C GLY A 43 32.198 -2.966 13.402 1.00 0.00 C ATOM 360 O GLY A 43 32.082 -3.235 14.592 1.00 0.00 O ATOM 0 H GLY A 43 33.546 -1.523 11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.914 -1.735 13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.434 -0.866 13.576 1.00 0.00 H new ATOM 364 N GLN A 44 31.748 -3.771 12.416 1.00 0.00 N ATOM 365 CA GLN A 44 31.000 -5.006 12.578 1.00 0.00 C ATOM 366 C GLN A 44 29.715 -4.863 13.394 1.00 0.00 C ATOM 367 O GLN A 44 29.420 -5.675 14.266 1.00 0.00 O ATOM 368 CB GLN A 44 31.887 -6.143 13.165 1.00 0.00 C ATOM 369 CG GLN A 44 33.073 -6.530 12.252 1.00 0.00 C ATOM 370 CD GLN A 44 33.952 -7.613 12.888 1.00 0.00 C ATOM 371 OE1 GLN A 44 35.129 -7.385 13.175 1.00 0.00 O ATOM 372 NE2 GLN A 44 33.375 -8.824 13.100 1.00 0.00 N ATOM 0 H GLN A 44 31.914 -3.551 11.434 1.00 0.00 H new ATOM 0 HA GLN A 44 30.692 -5.276 11.568 1.00 0.00 H new ATOM 0 HB2 GLN A 44 32.272 -5.829 14.135 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.269 -7.024 13.338 1.00 0.00 H new ATOM 0 HG2 GLN A 44 32.693 -6.886 11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 44 33.677 -5.646 12.047 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.398 -8.974 12.849 1.00 0.00 H new ATOM 0 HE22 GLN A 44 33.919 -9.583 13.510 1.00 0.00 H new ATOM 381 N ASN A 45 28.903 -3.819 13.095 1.00 0.00 N ATOM 382 CA ASN A 45 27.658 -3.555 13.799 1.00 0.00 C ATOM 383 C ASN A 45 26.463 -4.298 13.182 1.00 0.00 C ATOM 384 O ASN A 45 26.342 -5.515 13.300 1.00 0.00 O ATOM 385 CB ASN A 45 27.385 -2.022 13.857 1.00 0.00 C ATOM 386 CG ASN A 45 28.372 -1.343 14.813 1.00 0.00 C ATOM 387 OD1 ASN A 45 28.207 -1.445 16.031 1.00 0.00 O ATOM 388 ND2 ASN A 45 29.394 -0.630 14.279 1.00 0.00 N ATOM 0 H ASN A 45 29.107 -3.146 12.356 1.00 0.00 H new ATOM 0 HA ASN A 45 27.774 -3.936 14.814 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.478 -1.591 12.860 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.363 -1.840 14.189 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.059 -0.155 14.890 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.498 -0.568 13.266 1.00 0.00 H new ATOM 395 N LYS A 46 25.532 -3.577 12.517 1.00 0.00 N ATOM 396 CA LYS A 46 24.249 -4.100 12.076 1.00 0.00 C ATOM 397 C LYS A 46 24.153 -4.365 10.572 1.00 0.00 C ATOM 398 O LYS A 46 24.723 -5.320 10.044 1.00 0.00 O ATOM 399 CB LYS A 46 23.132 -3.129 12.579 1.00 0.00 C ATOM 400 CG LYS A 46 23.349 -1.624 12.278 1.00 0.00 C ATOM 401 CD LYS A 46 22.059 -0.780 12.301 1.00 0.00 C ATOM 402 CE LYS A 46 21.226 -0.933 13.573 1.00 0.00 C ATOM 403 NZ LYS A 46 20.096 0.016 13.542 1.00 0.00 N ATOM 0 H LYS A 46 25.669 -2.596 12.274 1.00 0.00 H new ATOM 0 HA LYS A 46 24.120 -5.090 12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 46 22.186 -3.435 12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 46 23.031 -3.252 13.657 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.049 -1.217 13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 46 23.817 -1.525 11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.324 0.270 12.179 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.444 -1.055 11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.854 -1.954 13.656 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.846 -0.748 14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.530 -0.089 14.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.461 0.988 13.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.500 -0.181 12.713 1.00 0.00 H new ATOM 417 N LYS A 47 23.401 -3.517 9.848 1.00 0.00 N ATOM 418 CA LYS A 47 23.181 -3.556 8.426 1.00 0.00 C ATOM 419 C LYS A 47 23.802 -2.328 7.824 1.00 0.00 C ATOM 420 O LYS A 47 23.957 -1.298 8.480 1.00 0.00 O ATOM 421 CB LYS A 47 21.678 -3.578 8.061 1.00 0.00 C ATOM 422 CG LYS A 47 20.970 -4.863 8.506 1.00 0.00 C ATOM 423 CD LYS A 47 19.458 -4.822 8.242 1.00 0.00 C ATOM 424 CE LYS A 47 18.764 -6.115 8.667 1.00 0.00 C ATOM 425 NZ LYS A 47 17.306 -5.902 8.688 1.00 0.00 N ATOM 0 H LYS A 47 22.906 -2.741 10.288 1.00 0.00 H new ATOM 0 HA LYS A 47 23.628 -4.472 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.186 -2.721 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.571 -3.466 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.404 -5.714 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.146 -5.021 9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.019 -3.982 8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.281 -4.648 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.015 -6.920 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 47 19.113 -6.421 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.831 -6.781 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.075 -5.145 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.981 -5.629 7.738 1.00 0.00 H new ATOM 439 N GLY A 48 24.175 -2.428 6.539 1.00 0.00 N ATOM 440 CA GLY A 48 24.670 -1.314 5.768 1.00 0.00 C ATOM 441 C GLY A 48 23.959 -1.334 4.455 1.00 0.00 C ATOM 442 O GLY A 48 23.149 -2.214 4.163 1.00 0.00 O ATOM 0 H GLY A 48 24.135 -3.302 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.488 -0.374 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.747 -1.395 5.623 1.00 0.00 H new ATOM 446 N HIS A 49 24.261 -0.354 3.598 1.00 0.00 N ATOM 447 CA HIS A 49 23.665 -0.306 2.285 1.00 0.00 C ATOM 448 C HIS A 49 24.833 -0.168 1.327 1.00 0.00 C ATOM 449 O HIS A 49 25.879 0.376 1.691 1.00 0.00 O ATOM 450 CB HIS A 49 22.670 0.878 2.197 1.00 0.00 C ATOM 451 CG HIS A 49 21.675 0.762 1.077 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.775 -0.285 1.167 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.355 1.573 0.032 1.00 0.00 C ATOM 454 CE1 HIS A 49 19.935 -0.099 0.175 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.232 1.014 -0.545 1.00 0.00 N ATOM 0 H HIS A 49 24.911 0.406 3.800 1.00 0.00 H new ATOM 0 HA HIS A 49 23.081 -1.194 2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.131 0.956 3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.233 1.803 2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 49 21.872 2.468 -0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.105 -0.754 -0.043 1.00 0.00 H new ATOM 0 HE2 HIS A 49 19.724 1.368 -1.355 1.00 0.00 H new ATOM 463 N CYS A 50 24.731 -0.734 0.104 1.00 0.00 N ATOM 464 CA CYS A 50 25.850 -0.762 -0.825 1.00 0.00 C ATOM 465 C CYS A 50 25.979 0.535 -1.620 1.00 0.00 C ATOM 466 O CYS A 50 24.982 1.117 -2.056 1.00 0.00 O ATOM 467 CB CYS A 50 25.742 -1.936 -1.833 1.00 0.00 C ATOM 468 SG CYS A 50 25.722 -3.579 -1.051 1.00 0.00 S ATOM 0 H CYS A 50 23.881 -1.173 -0.249 1.00 0.00 H new ATOM 0 HA CYS A 50 26.734 -0.893 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.833 -1.814 -2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.581 -1.885 -2.527 1.00 0.00 H new ATOM 473 N TYR A 51 27.230 1.005 -1.852 1.00 0.00 N ATOM 474 CA TYR A 51 27.500 2.251 -2.562 1.00 0.00 C ATOM 475 C TYR A 51 28.362 1.949 -3.772 1.00 0.00 C ATOM 476 O TYR A 51 29.017 0.908 -3.850 1.00 0.00 O ATOM 477 CB TYR A 51 28.322 3.317 -1.791 1.00 0.00 C ATOM 478 CG TYR A 51 27.750 3.614 -0.444 1.00 0.00 C ATOM 479 CD1 TYR A 51 28.519 3.260 0.671 1.00 0.00 C ATOM 480 CD2 TYR A 51 26.480 4.183 -0.252 1.00 0.00 C ATOM 481 CE1 TYR A 51 28.033 3.456 1.962 1.00 0.00 C ATOM 482 CE2 TYR A 51 25.978 4.359 1.049 1.00 0.00 C ATOM 483 CZ TYR A 51 26.751 3.979 2.156 1.00 0.00 C ATOM 484 OH TYR A 51 26.234 4.087 3.463 1.00 0.00 O ATOM 0 H TYR A 51 28.073 0.519 -1.545 1.00 0.00 H new ATOM 0 HA TYR A 51 26.506 2.649 -2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.348 2.968 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.360 4.235 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 51 29.500 2.830 0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 51 25.889 4.485 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 51 28.647 3.204 2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 51 24.997 4.787 1.196 1.00 0.00 H new ATOM 0 HH TYR A 51 25.333 4.470 3.428 1.00 0.00 H new ATOM 494 N LYS A 52 28.392 2.897 -4.732 1.00 0.00 N ATOM 495 CA LYS A 52 29.334 2.916 -5.832 1.00 0.00 C ATOM 496 C LYS A 52 30.137 4.217 -5.749 1.00 0.00 C ATOM 497 O LYS A 52 29.574 5.292 -5.532 1.00 0.00 O ATOM 498 CB LYS A 52 28.587 2.841 -7.183 1.00 0.00 C ATOM 499 CG LYS A 52 29.478 2.761 -8.435 1.00 0.00 C ATOM 500 CD LYS A 52 28.683 2.868 -9.752 1.00 0.00 C ATOM 501 CE LYS A 52 27.596 1.809 -9.940 1.00 0.00 C ATOM 502 NZ LYS A 52 26.907 2.042 -11.224 1.00 0.00 N ATOM 0 H LYS A 52 27.740 3.681 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 52 29.999 2.055 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 52 27.934 1.968 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.946 3.718 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.218 3.560 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.026 1.819 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.221 3.854 -9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 52 29.381 2.802 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.037 0.812 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.882 1.854 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.167 1.324 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.475 2.988 -11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.593 1.979 -12.003 1.00 0.00 H new ATOM 516 N ILE A 53 31.481 4.141 -5.924 1.00 0.00 N ATOM 517 CA ILE A 53 32.378 5.287 -6.056 1.00 0.00 C ATOM 518 C ILE A 53 32.706 5.470 -7.519 1.00 0.00 C ATOM 519 O ILE A 53 33.134 4.537 -8.197 1.00 0.00 O ATOM 520 CB ILE A 53 33.670 5.159 -5.232 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.367 5.199 -3.716 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.727 6.224 -5.618 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.509 4.684 -2.832 1.00 0.00 C ATOM 0 H ILE A 53 31.972 3.248 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 53 31.860 6.159 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 53 34.102 4.187 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.136 6.225 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.475 4.605 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.619 6.089 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.988 6.113 -6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.318 7.220 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.215 4.746 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.727 3.647 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.399 5.292 -2.996 1.00 0.00 H new ATOM 535 N ILE A 54 32.481 6.698 -8.033 1.00 0.00 N ATOM 536 CA ILE A 54 32.785 7.097 -9.391 1.00 0.00 C ATOM 537 C ILE A 54 33.510 8.430 -9.375 1.00 0.00 C ATOM 538 O ILE A 54 33.416 9.207 -8.423 1.00 0.00 O ATOM 539 CB ILE A 54 31.555 7.144 -10.312 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.424 8.085 -9.807 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.071 5.710 -10.613 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.459 7.484 -8.767 1.00 0.00 C ATOM 0 H ILE A 54 32.069 7.451 -7.482 1.00 0.00 H new ATOM 0 HA ILE A 54 33.431 6.328 -9.815 1.00 0.00 H new ATOM 0 HB ILE A 54 31.865 7.602 -11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.884 8.974 -9.375 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.841 8.414 -10.667 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.199 5.750 -11.266 1.00 0.00 H new ATOM 0 HG22 ILE A 54 31.868 5.153 -11.105 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.803 5.213 -9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.714 8.229 -8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.960 6.614 -9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.019 7.183 -7.882 1.00 0.00 H new ATOM 554 N GLY A 55 34.282 8.730 -10.448 1.00 0.00 N ATOM 555 CA GLY A 55 35.091 9.943 -10.538 1.00 0.00 C ATOM 556 C GLY A 55 36.481 9.769 -9.985 1.00 0.00 C ATOM 557 O GLY A 55 37.239 10.725 -9.857 1.00 0.00 O ATOM 0 H GLY A 55 34.353 8.129 -11.269 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.158 10.251 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.590 10.747 -9.999 1.00 0.00 H new ATOM 561 N ASN A 56 36.862 8.525 -9.643 1.00 0.00 N ATOM 562 CA ASN A 56 38.168 8.177 -9.112 1.00 0.00 C ATOM 563 C ASN A 56 39.286 7.999 -10.190 1.00 0.00 C ATOM 564 O ASN A 56 38.982 8.034 -11.411 1.00 0.00 O ATOM 565 CB ASN A 56 38.034 6.904 -8.213 1.00 0.00 C ATOM 566 CG ASN A 56 37.493 5.698 -8.995 1.00 0.00 C ATOM 567 OD1 ASN A 56 36.412 5.774 -9.586 1.00 0.00 O ATOM 568 ND2 ASN A 56 38.253 4.574 -9.007 1.00 0.00 N ATOM 569 OXT ASN A 56 40.455 7.800 -9.764 1.00 0.00 O ATOM 0 H ASN A 56 36.243 7.720 -9.736 1.00 0.00 H new ATOM 0 HA ASN A 56 38.502 9.028 -8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 56 39.008 6.655 -7.791 1.00 0.00 H new ATOM 0 HB3 ASN A 56 37.370 7.120 -7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.937 3.750 -9.518 1.00 0.00 H new ATOM 0 HD22 ASN A 56 39.141 4.553 -8.505 1.00 0.00 H new TER 576 ASN A 56