USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 471 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 5 TYR OH : rot 130:sc= -2.09! USER MOD Set 1.2: A 39 GLN : amide:sc= -8.54! C(o=-11!,f=-13!) USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.0933 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-0.19) USER MOD Single : A 11 ASN : amide:sc= -5.76! C(o=-5.8!,f=-13!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.51 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.761 K(o=0.76,f=-3.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 31 ASN : amide:sc= -2.9! K(o=-2.9!,f=-1.5) USER MOD Single : A 35 SER OG : rot 2:sc= 1.18 USER MOD Single : A 37 TYR OH : rot 115:sc= 0.411 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -4.75! C(o=-4.8!,f=-6.5!) USER MOD Single : A 52 GLN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= -5.46! K(o=-5.5!,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.955 0.163 0.809 1.00 0.00 N ATOM 2 CA ALA A 1 2.301 0.212 -0.606 1.00 0.00 C ATOM 3 C ALA A 1 2.442 -1.192 -1.185 1.00 0.00 C ATOM 4 O ALA A 1 2.261 -2.185 -0.481 1.00 0.00 O ATOM 5 CB ALA A 1 3.587 0.999 -0.809 1.00 0.00 C ATOM 0 H1 ALA A 1 1.052 0.656 0.963 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.864 -0.828 1.110 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.702 0.626 1.365 1.00 0.00 H new ATOM 0 HA ALA A 1 1.492 0.716 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.833 1.027 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.453 2.016 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.398 0.519 -0.261 1.00 0.00 H new ATOM 11 N ARG A 2 2.764 -1.267 -2.472 1.00 0.00 N ATOM 12 CA ARG A 2 2.927 -2.549 -3.146 1.00 0.00 C ATOM 13 C ARG A 2 3.952 -2.446 -4.272 1.00 0.00 C ATOM 14 O ARG A 2 4.486 -1.370 -4.541 1.00 0.00 O ATOM 15 CB ARG A 2 1.586 -3.030 -3.705 1.00 0.00 C ATOM 16 CG ARG A 2 1.257 -2.458 -5.074 1.00 0.00 C ATOM 17 CD ARG A 2 -0.238 -2.228 -5.236 1.00 0.00 C ATOM 18 NE ARG A 2 -0.537 -1.355 -6.368 1.00 0.00 N ATOM 19 CZ ARG A 2 -0.192 -0.073 -6.419 1.00 0.00 C ATOM 20 NH1 ARG A 2 0.462 0.481 -5.408 1.00 0.00 N ATOM 21 NH2 ARG A 2 -0.500 0.656 -7.484 1.00 0.00 N ATOM 0 H ARG A 2 2.917 -0.454 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 2 3.288 -3.272 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.598 -4.118 -3.768 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.793 -2.760 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.789 -1.517 -5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.608 -3.140 -5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.739 -3.186 -5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.638 -1.788 -4.323 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.038 -1.751 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.702 -0.077 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.726 1.465 -5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.002 0.232 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.235 1.640 -7.522 1.00 0.00 H new ATOM 35 N ASP A 3 4.220 -3.571 -4.925 1.00 0.00 N ATOM 36 CA ASP A 3 5.180 -3.607 -6.023 1.00 0.00 C ATOM 37 C ASP A 3 4.469 -3.770 -7.362 1.00 0.00 C ATOM 38 O ASP A 3 3.501 -4.521 -7.475 1.00 0.00 O ATOM 39 CB ASP A 3 6.177 -4.749 -5.818 1.00 0.00 C ATOM 40 CG ASP A 3 7.031 -4.558 -4.580 1.00 0.00 C ATOM 41 OD1 ASP A 3 6.578 -3.860 -3.649 1.00 0.00 O ATOM 42 OD2 ASP A 3 8.152 -5.106 -4.543 1.00 0.00 O ATOM 0 H ASP A 3 3.787 -4.470 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 3 5.720 -2.660 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.634 -5.691 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.823 -4.825 -6.693 1.00 0.00 H new ATOM 47 N ALA A 4 4.955 -3.060 -8.375 1.00 0.00 N ATOM 48 CA ALA A 4 4.366 -3.126 -9.706 1.00 0.00 C ATOM 49 C ALA A 4 5.223 -2.380 -10.723 1.00 0.00 C ATOM 50 O ALA A 4 6.294 -1.870 -10.392 1.00 0.00 O ATOM 51 CB ALA A 4 2.954 -2.561 -9.688 1.00 0.00 C ATOM 0 H ALA A 4 5.755 -2.432 -8.299 1.00 0.00 H new ATOM 0 HA ALA A 4 4.322 -4.173 -10.005 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.527 -2.617 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.339 -3.140 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.982 -1.521 -9.363 1.00 0.00 H new ATOM 57 N TYR A 5 4.746 -2.320 -11.962 1.00 0.00 N ATOM 58 CA TYR A 5 5.471 -1.639 -13.028 1.00 0.00 C ATOM 59 C TYR A 5 5.016 -0.188 -13.155 1.00 0.00 C ATOM 60 O TYR A 5 3.829 0.089 -13.329 1.00 0.00 O ATOM 61 CB TYR A 5 5.267 -2.367 -14.357 1.00 0.00 C ATOM 62 CG TYR A 5 5.482 -3.861 -14.269 1.00 0.00 C ATOM 63 CD1 TYR A 5 4.421 -4.721 -14.018 1.00 0.00 C ATOM 64 CD2 TYR A 5 6.747 -4.412 -14.435 1.00 0.00 C ATOM 65 CE1 TYR A 5 4.612 -6.087 -13.935 1.00 0.00 C ATOM 66 CE2 TYR A 5 6.947 -5.776 -14.356 1.00 0.00 C ATOM 67 CZ TYR A 5 5.877 -6.610 -14.105 1.00 0.00 C ATOM 68 OH TYR A 5 6.073 -7.969 -14.024 1.00 0.00 O ATOM 0 H TYR A 5 3.861 -2.735 -12.252 1.00 0.00 H new ATOM 0 HA TYR A 5 6.531 -1.648 -12.775 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.256 -2.175 -14.715 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.952 -1.953 -15.097 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.429 -4.315 -13.885 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.588 -3.762 -14.629 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.776 -6.741 -13.738 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.936 -6.188 -14.490 1.00 0.00 H new ATOM 0 HH TYR A 5 6.581 -8.273 -14.805 1.00 0.00 H new ATOM 78 N ILE A 6 5.969 0.734 -13.067 1.00 0.00 N ATOM 79 CA ILE A 6 5.668 2.156 -13.174 1.00 0.00 C ATOM 80 C ILE A 6 5.390 2.552 -14.620 1.00 0.00 C ATOM 81 O ILE A 6 6.111 2.151 -15.533 1.00 0.00 O ATOM 82 CB ILE A 6 6.823 3.018 -12.630 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.554 4.499 -12.902 1.00 0.00 C ATOM 84 CG2 ILE A 6 8.143 2.590 -13.254 1.00 0.00 C ATOM 85 CD1 ILE A 6 7.402 5.431 -12.065 1.00 0.00 C ATOM 0 H ILE A 6 6.956 0.521 -12.922 1.00 0.00 H new ATOM 0 HA ILE A 6 4.777 2.336 -12.573 1.00 0.00 H new ATOM 0 HB ILE A 6 6.890 2.872 -11.552 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.735 4.705 -13.957 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.502 4.710 -12.712 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.949 3.208 -12.860 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.337 1.545 -13.014 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.090 2.710 -14.336 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.158 6.464 -12.311 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.204 5.253 -11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.456 5.248 -12.272 1.00 0.00 H new ATOM 97 N ALA A 7 4.341 3.343 -14.819 1.00 0.00 N ATOM 98 CA ALA A 7 3.970 3.798 -16.154 1.00 0.00 C ATOM 99 C ALA A 7 3.639 5.286 -16.155 1.00 0.00 C ATOM 100 O ALA A 7 3.018 5.795 -15.221 1.00 0.00 O ATOM 101 CB ALA A 7 2.790 2.992 -16.676 1.00 0.00 C ATOM 0 H ALA A 7 3.733 3.682 -14.073 1.00 0.00 H new ATOM 0 HA ALA A 7 4.823 3.643 -16.814 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.523 3.342 -17.673 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.062 1.937 -16.722 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.939 3.119 -16.007 1.00 0.00 H new ATOM 107 N LYS A 8 4.057 5.980 -17.208 1.00 0.00 N ATOM 108 CA LYS A 8 3.804 7.411 -17.331 1.00 0.00 C ATOM 109 C LYS A 8 2.636 7.677 -18.276 1.00 0.00 C ATOM 110 O LYS A 8 2.256 6.832 -19.086 1.00 0.00 O ATOM 111 CB LYS A 8 5.057 8.129 -17.837 1.00 0.00 C ATOM 112 CG LYS A 8 4.930 8.644 -19.260 1.00 0.00 C ATOM 113 CD LYS A 8 6.223 9.281 -19.740 1.00 0.00 C ATOM 114 CE LYS A 8 6.230 9.461 -21.250 1.00 0.00 C ATOM 115 NZ LYS A 8 7.583 9.814 -21.761 1.00 0.00 N ATOM 0 H LYS A 8 4.573 5.575 -17.989 1.00 0.00 H new ATOM 0 HA LYS A 8 3.546 7.796 -16.344 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.278 8.966 -17.175 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.905 7.446 -17.781 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.661 7.822 -19.923 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.122 9.374 -19.313 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.354 10.249 -19.257 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.068 8.660 -19.443 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.890 8.541 -21.727 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.522 10.243 -21.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.545 9.928 -22.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.897 10.705 -21.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.253 9.056 -21.521 1.00 0.00 H new ATOM 129 N PRO A 9 2.053 8.881 -18.172 1.00 0.00 N ATOM 130 CA PRO A 9 0.922 9.287 -19.011 1.00 0.00 C ATOM 131 C PRO A 9 1.325 9.499 -20.466 1.00 0.00 C ATOM 132 O PRO A 9 2.428 9.965 -20.753 1.00 0.00 O ATOM 133 CB PRO A 9 0.471 10.608 -18.383 1.00 0.00 C ATOM 134 CG PRO A 9 1.687 11.140 -17.706 1.00 0.00 C ATOM 135 CD PRO A 9 2.454 9.938 -17.229 1.00 0.00 C ATOM 0 HA PRO A 9 0.143 8.525 -19.041 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.104 11.301 -19.140 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.341 10.452 -17.673 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.286 11.738 -18.393 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.417 11.787 -16.872 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.530 10.112 -17.254 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.197 9.679 -16.202 1.00 0.00 H new ATOM 143 N HIS A 10 0.425 9.154 -21.381 1.00 0.00 N ATOM 144 CA HIS A 10 -0.873 8.604 -21.007 1.00 0.00 C ATOM 145 C HIS A 10 -0.894 7.089 -21.191 1.00 0.00 C ATOM 146 O HIS A 10 -1.084 6.592 -22.300 1.00 0.00 O ATOM 147 CB HIS A 10 -1.982 9.246 -21.841 1.00 0.00 C ATOM 148 CG HIS A 10 -2.463 10.554 -21.293 1.00 0.00 C ATOM 149 ND1 HIS A 10 -3.208 11.451 -22.029 1.00 0.00 N ATOM 150 CD2 HIS A 10 -2.303 11.114 -20.071 1.00 0.00 C ATOM 151 CE1 HIS A 10 -3.484 12.506 -21.285 1.00 0.00 C ATOM 152 NE2 HIS A 10 -2.946 12.327 -20.092 1.00 0.00 N ATOM 0 H HIS A 10 0.571 9.245 -22.386 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.045 8.827 -19.954 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.619 9.399 -22.857 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.824 8.556 -21.904 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.769 10.686 -19.235 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.053 13.369 -21.598 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.000 12.983 -19.313 1.00 0.00 H new ATOM 160 N ASN A 11 -0.698 6.362 -20.096 1.00 0.00 N ATOM 161 CA ASN A 11 -0.693 4.904 -20.137 1.00 0.00 C ATOM 162 C ASN A 11 0.492 4.387 -20.947 1.00 0.00 C ATOM 163 O ASN A 11 0.331 3.917 -22.073 1.00 0.00 O ATOM 164 CB ASN A 11 -2.001 4.386 -20.738 1.00 0.00 C ATOM 165 CG ASN A 11 -2.068 2.871 -20.756 1.00 0.00 C ATOM 166 OD1 ASN A 11 -1.092 2.199 -21.090 1.00 0.00 O ATOM 167 ND2 ASN A 11 -3.224 2.326 -20.397 1.00 0.00 N ATOM 0 H ASN A 11 -0.541 6.758 -19.169 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.600 4.536 -19.115 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.841 4.777 -20.165 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.105 4.764 -21.755 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.329 1.311 -20.391 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.007 2.922 -20.128 1.00 0.00 H new ATOM 174 N CYS A 12 1.684 4.476 -20.365 1.00 0.00 N ATOM 175 CA CYS A 12 2.897 4.017 -21.030 1.00 0.00 C ATOM 176 C CYS A 12 3.837 3.337 -20.040 1.00 0.00 C ATOM 177 O CYS A 12 3.920 3.730 -18.876 1.00 0.00 O ATOM 178 CB CYS A 12 3.610 5.192 -21.703 1.00 0.00 C ATOM 179 SG CYS A 12 2.503 6.301 -22.631 1.00 0.00 S ATOM 0 H CYS A 12 1.835 4.862 -19.433 1.00 0.00 H new ATOM 0 HA CYS A 12 2.612 3.290 -21.790 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.131 5.771 -20.941 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.369 4.802 -22.382 1.00 0.00 H new ATOM 184 N VAL A 13 4.543 2.314 -20.510 1.00 0.00 N ATOM 185 CA VAL A 13 5.479 1.579 -19.666 1.00 0.00 C ATOM 186 C VAL A 13 6.833 2.276 -19.610 1.00 0.00 C ATOM 187 O VAL A 13 7.197 3.022 -20.520 1.00 0.00 O ATOM 188 CB VAL A 13 5.676 0.137 -20.171 1.00 0.00 C ATOM 189 CG1 VAL A 13 4.430 -0.352 -20.893 1.00 0.00 C ATOM 190 CG2 VAL A 13 6.895 0.053 -21.079 1.00 0.00 C ATOM 0 H VAL A 13 4.485 1.975 -21.470 1.00 0.00 H new ATOM 0 HA VAL A 13 5.048 1.550 -18.665 1.00 0.00 H new ATOM 0 HB VAL A 13 5.845 -0.510 -19.311 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.589 -1.372 -21.242 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.581 -0.330 -20.209 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.226 0.296 -21.746 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.020 -0.972 -21.427 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.757 0.713 -21.936 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.783 0.359 -20.525 1.00 0.00 H new ATOM 200 N TYR A 14 7.575 2.029 -18.537 1.00 0.00 N ATOM 201 CA TYR A 14 8.890 2.635 -18.361 1.00 0.00 C ATOM 202 C TYR A 14 9.998 1.626 -18.647 1.00 0.00 C ATOM 203 O TYR A 14 10.472 0.937 -17.745 1.00 0.00 O ATOM 204 CB TYR A 14 9.037 3.181 -16.940 1.00 0.00 C ATOM 205 CG TYR A 14 8.641 4.635 -16.805 1.00 0.00 C ATOM 206 CD1 TYR A 14 7.429 4.995 -16.229 1.00 0.00 C ATOM 207 CD2 TYR A 14 9.479 5.647 -17.255 1.00 0.00 C ATOM 208 CE1 TYR A 14 7.063 6.321 -16.105 1.00 0.00 C ATOM 209 CE2 TYR A 14 9.122 6.976 -17.134 1.00 0.00 C ATOM 210 CZ TYR A 14 7.913 7.308 -16.558 1.00 0.00 C ATOM 211 OH TYR A 14 7.553 8.631 -16.437 1.00 0.00 O ATOM 0 H TYR A 14 7.289 1.413 -17.776 1.00 0.00 H new ATOM 0 HA TYR A 14 8.980 3.457 -19.071 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.425 2.582 -16.265 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.072 3.064 -16.620 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.762 4.225 -15.872 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.426 5.391 -17.707 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.117 6.583 -15.656 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.786 7.751 -17.488 1.00 0.00 H new ATOM 0 HH TYR A 14 8.263 9.198 -16.804 1.00 0.00 H new ATOM 221 N GLU A 15 10.405 1.547 -19.910 1.00 0.00 N ATOM 222 CA GLU A 15 11.457 0.623 -20.316 1.00 0.00 C ATOM 223 C GLU A 15 12.782 0.978 -19.647 1.00 0.00 C ATOM 224 O GLU A 15 13.159 2.148 -19.572 1.00 0.00 O ATOM 225 CB GLU A 15 11.622 0.638 -21.837 1.00 0.00 C ATOM 226 CG GLU A 15 12.433 1.816 -22.350 1.00 0.00 C ATOM 227 CD GLU A 15 11.724 3.142 -22.153 1.00 0.00 C ATOM 228 OE1 GLU A 15 12.201 3.953 -21.332 1.00 0.00 O ATOM 229 OE2 GLU A 15 10.692 3.368 -22.819 1.00 0.00 O ATOM 0 H GLU A 15 10.023 2.111 -20.669 1.00 0.00 H new ATOM 0 HA GLU A 15 11.166 -0.379 -19.999 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.104 -0.288 -22.151 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.636 0.657 -22.301 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.394 1.842 -21.836 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.642 1.674 -23.410 1.00 0.00 H new ATOM 236 N CYS A 16 13.484 -0.040 -19.160 1.00 0.00 N ATOM 237 CA CYS A 16 14.766 0.163 -18.496 1.00 0.00 C ATOM 238 C CYS A 16 15.901 0.233 -19.514 1.00 0.00 C ATOM 239 O CYS A 16 16.020 -0.627 -20.387 1.00 0.00 O ATOM 240 CB CYS A 16 15.031 -0.965 -17.497 1.00 0.00 C ATOM 241 SG CYS A 16 15.603 -2.517 -18.262 1.00 0.00 S ATOM 0 H CYS A 16 13.186 -1.014 -19.213 1.00 0.00 H new ATOM 0 HA CYS A 16 14.723 1.111 -17.960 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.778 -0.630 -16.777 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.116 -1.163 -16.938 1.00 0.00 H new ATOM 246 N TYR A 17 16.733 1.262 -19.394 1.00 0.00 N ATOM 247 CA TYR A 17 17.857 1.446 -20.304 1.00 0.00 C ATOM 248 C TYR A 17 19.161 0.985 -19.659 1.00 0.00 C ATOM 249 O TYR A 17 20.028 0.419 -20.323 1.00 0.00 O ATOM 250 CB TYR A 17 17.971 2.914 -20.717 1.00 0.00 C ATOM 251 CG TYR A 17 19.241 3.234 -21.473 1.00 0.00 C ATOM 252 CD1 TYR A 17 20.264 3.959 -20.875 1.00 0.00 C ATOM 253 CD2 TYR A 17 19.417 2.812 -22.785 1.00 0.00 C ATOM 254 CE1 TYR A 17 21.426 4.254 -21.561 1.00 0.00 C ATOM 255 CE2 TYR A 17 20.576 3.101 -23.479 1.00 0.00 C ATOM 256 CZ TYR A 17 21.577 3.822 -22.863 1.00 0.00 C ATOM 257 OH TYR A 17 22.733 4.114 -23.551 1.00 0.00 O ATOM 0 H TYR A 17 16.650 1.981 -18.675 1.00 0.00 H new ATOM 0 HA TYR A 17 17.677 0.839 -21.191 1.00 0.00 H new ATOM 0 HB2 TYR A 17 17.113 3.176 -21.337 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.922 3.538 -19.825 1.00 0.00 H new ATOM 0 HD1 TYR A 17 20.149 4.298 -19.856 1.00 0.00 H new ATOM 0 HD2 TYR A 17 18.634 2.248 -23.271 1.00 0.00 H new ATOM 0 HE1 TYR A 17 22.211 4.819 -21.081 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.697 2.764 -24.498 1.00 0.00 H new ATOM 0 HH TYR A 17 22.680 3.737 -24.454 1.00 0.00 H new ATOM 267 N ASN A 18 19.290 1.231 -18.360 1.00 0.00 N ATOM 268 CA ASN A 18 20.487 0.842 -17.623 1.00 0.00 C ATOM 269 C ASN A 18 20.208 -0.363 -16.729 1.00 0.00 C ATOM 270 O ASN A 18 19.901 -0.230 -15.544 1.00 0.00 O ATOM 271 CB ASN A 18 20.994 2.012 -16.778 1.00 0.00 C ATOM 272 CG ASN A 18 22.498 1.975 -16.583 1.00 0.00 C ATOM 273 OD1 ASN A 18 23.193 1.154 -17.181 1.00 0.00 O ATOM 274 ND2 ASN A 18 23.007 2.868 -15.743 1.00 0.00 N ATOM 0 H ASN A 18 18.580 1.698 -17.795 1.00 0.00 H new ATOM 0 HA ASN A 18 21.255 0.566 -18.346 1.00 0.00 H new ATOM 0 HB2 ASN A 18 20.715 2.950 -17.257 1.00 0.00 H new ATOM 0 HB3 ASN A 18 20.504 1.993 -15.805 1.00 0.00 H new ATOM 0 HD21 ASN A 18 24.012 2.892 -15.572 1.00 0.00 H new ATOM 0 HD22 ASN A 18 22.393 3.530 -15.269 1.00 0.00 H new ATOM 281 N PRO A 19 20.317 -1.568 -17.309 1.00 0.00 N ATOM 282 CA PRO A 19 20.082 -2.819 -16.583 1.00 0.00 C ATOM 283 C PRO A 19 21.171 -3.106 -15.555 1.00 0.00 C ATOM 284 O PRO A 19 20.929 -3.771 -14.547 1.00 0.00 O ATOM 285 CB PRO A 19 20.097 -3.878 -17.688 1.00 0.00 C ATOM 286 CG PRO A 19 20.927 -3.283 -18.772 1.00 0.00 C ATOM 287 CD PRO A 19 20.679 -1.801 -18.717 1.00 0.00 C ATOM 0 HA PRO A 19 19.154 -2.791 -16.013 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.524 -4.816 -17.332 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.089 -4.099 -18.038 1.00 0.00 H new ATOM 0 HG2 PRO A 19 21.983 -3.508 -18.623 1.00 0.00 H new ATOM 0 HG3 PRO A 19 20.649 -3.689 -19.744 1.00 0.00 H new ATOM 0 HD2 PRO A 19 21.565 -1.234 -19.003 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.878 -1.502 -19.393 1.00 0.00 H new ATOM 295 N LYS A 20 22.372 -2.601 -15.815 1.00 0.00 N ATOM 296 CA LYS A 20 23.499 -2.801 -14.912 1.00 0.00 C ATOM 297 C LYS A 20 23.645 -1.623 -13.954 1.00 0.00 C ATOM 298 O LYS A 20 24.729 -1.364 -13.435 1.00 0.00 O ATOM 299 CB LYS A 20 24.792 -2.987 -15.710 1.00 0.00 C ATOM 300 CG LYS A 20 25.093 -4.435 -16.053 1.00 0.00 C ATOM 301 CD LYS A 20 25.887 -5.116 -14.951 1.00 0.00 C ATOM 302 CE LYS A 20 25.852 -6.630 -15.092 1.00 0.00 C ATOM 303 NZ LYS A 20 26.625 -7.094 -16.278 1.00 0.00 N ATOM 0 H LYS A 20 22.590 -2.049 -16.645 1.00 0.00 H new ATOM 0 HA LYS A 20 23.308 -3.701 -14.327 1.00 0.00 H new ATOM 0 HB2 LYS A 20 24.726 -2.410 -16.633 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.624 -2.578 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 20 24.159 -4.973 -16.215 1.00 0.00 H new ATOM 0 HG3 LYS A 20 25.653 -4.480 -16.987 1.00 0.00 H new ATOM 0 HD2 LYS A 20 26.921 -4.771 -14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 20 25.482 -4.831 -13.980 1.00 0.00 H new ATOM 0 HE2 LYS A 20 26.259 -7.088 -14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 20 24.818 -6.963 -15.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 26.577 -8.131 -16.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 26.221 -6.677 -17.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 27.618 -6.798 -16.183 1.00 0.00 H new ATOM 317 N GLY A 21 22.544 -0.914 -13.724 1.00 0.00 N ATOM 318 CA GLY A 21 22.571 0.228 -12.828 1.00 0.00 C ATOM 319 C GLY A 21 21.291 0.368 -12.030 1.00 0.00 C ATOM 320 O GLY A 21 20.370 -0.436 -12.174 1.00 0.00 O ATOM 0 H GLY A 21 21.634 -1.110 -14.142 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.413 0.129 -12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.736 1.137 -13.407 1.00 0.00 H new ATOM 324 N SER A 22 21.231 1.392 -11.184 1.00 0.00 N ATOM 325 CA SER A 22 20.056 1.632 -10.355 1.00 0.00 C ATOM 326 C SER A 22 19.120 2.638 -11.018 1.00 0.00 C ATOM 327 O SER A 22 18.394 3.367 -10.342 1.00 0.00 O ATOM 328 CB SER A 22 20.475 2.141 -8.975 1.00 0.00 C ATOM 329 OG SER A 22 20.972 1.085 -8.171 1.00 0.00 O ATOM 0 H SER A 22 21.983 2.069 -11.055 1.00 0.00 H new ATOM 0 HA SER A 22 19.524 0.688 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.240 2.910 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.622 2.607 -8.482 1.00 0.00 H new ATOM 0 HG SER A 22 21.235 1.437 -7.295 1.00 0.00 H new ATOM 335 N TYR A 23 19.143 2.671 -12.346 1.00 0.00 N ATOM 336 CA TYR A 23 18.299 3.589 -13.102 1.00 0.00 C ATOM 337 C TYR A 23 16.831 3.420 -12.719 1.00 0.00 C ATOM 338 O TYR A 23 16.183 4.364 -12.267 1.00 0.00 O ATOM 339 CB TYR A 23 18.476 3.359 -14.604 1.00 0.00 C ATOM 340 CG TYR A 23 17.654 4.294 -15.461 1.00 0.00 C ATOM 341 CD1 TYR A 23 17.627 5.660 -15.205 1.00 0.00 C ATOM 342 CD2 TYR A 23 16.903 3.813 -16.526 1.00 0.00 C ATOM 343 CE1 TYR A 23 16.878 6.519 -15.985 1.00 0.00 C ATOM 344 CE2 TYR A 23 16.151 4.665 -17.313 1.00 0.00 C ATOM 345 CZ TYR A 23 16.142 6.016 -17.038 1.00 0.00 C ATOM 346 OH TYR A 23 15.393 6.868 -17.818 1.00 0.00 O ATOM 0 H TYR A 23 19.737 2.073 -12.921 1.00 0.00 H new ATOM 0 HA TYR A 23 18.604 4.607 -12.859 1.00 0.00 H new ATOM 0 HB2 TYR A 23 19.529 3.477 -14.859 1.00 0.00 H new ATOM 0 HB3 TYR A 23 18.204 2.330 -14.840 1.00 0.00 H new ATOM 0 HD1 TYR A 23 18.202 6.057 -14.381 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.907 2.755 -16.743 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.868 7.578 -15.772 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.574 4.275 -18.138 1.00 0.00 H new ATOM 0 HH TYR A 23 14.936 6.355 -18.517 1.00 0.00 H new ATOM 356 N CYS A 24 16.314 2.210 -12.904 1.00 0.00 N ATOM 357 CA CYS A 24 14.924 1.915 -12.579 1.00 0.00 C ATOM 358 C CYS A 24 14.635 2.207 -11.109 1.00 0.00 C ATOM 359 O CYS A 24 13.529 2.609 -10.752 1.00 0.00 O ATOM 360 CB CYS A 24 14.606 0.451 -12.892 1.00 0.00 C ATOM 361 SG CYS A 24 12.945 -0.078 -12.361 1.00 0.00 S ATOM 0 H CYS A 24 16.837 1.418 -13.277 1.00 0.00 H new ATOM 0 HA CYS A 24 14.289 2.557 -13.190 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.701 0.291 -13.966 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.350 -0.183 -12.409 1.00 0.00 H new ATOM 366 N ASN A 25 15.639 2.002 -10.263 1.00 0.00 N ATOM 367 CA ASN A 25 15.493 2.244 -8.832 1.00 0.00 C ATOM 368 C ASN A 25 15.257 3.725 -8.551 1.00 0.00 C ATOM 369 O ASN A 25 14.262 4.098 -7.930 1.00 0.00 O ATOM 370 CB ASN A 25 16.737 1.763 -8.083 1.00 0.00 C ATOM 371 CG ASN A 25 16.422 1.302 -6.673 1.00 0.00 C ATOM 372 OD1 ASN A 25 16.249 0.109 -6.422 1.00 0.00 O ATOM 373 ND2 ASN A 25 16.345 2.249 -5.745 1.00 0.00 N ATOM 0 H ASN A 25 16.562 1.669 -10.543 1.00 0.00 H new ATOM 0 HA ASN A 25 14.626 1.684 -8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.196 0.944 -8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 25 17.468 2.570 -8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.135 2.000 -4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.496 3.225 -5.999 1.00 0.00 H new ATOM 380 N ASP A 26 16.178 4.563 -9.014 1.00 0.00 N ATOM 381 CA ASP A 26 16.070 6.003 -8.814 1.00 0.00 C ATOM 382 C ASP A 26 14.731 6.524 -9.327 1.00 0.00 C ATOM 383 O ASP A 26 14.040 7.276 -8.638 1.00 0.00 O ATOM 384 CB ASP A 26 17.217 6.725 -9.523 1.00 0.00 C ATOM 385 CG ASP A 26 18.552 6.502 -8.839 1.00 0.00 C ATOM 386 OD1 ASP A 26 19.351 5.688 -9.348 1.00 0.00 O ATOM 387 OD2 ASP A 26 18.797 7.142 -7.795 1.00 0.00 O ATOM 0 H ASP A 26 17.007 4.270 -9.530 1.00 0.00 H new ATOM 0 HA ASP A 26 16.131 6.202 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.278 6.378 -10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 26 17.004 7.793 -9.558 1.00 0.00 H new ATOM 392 N LEU A 27 14.371 6.121 -10.541 1.00 0.00 N ATOM 393 CA LEU A 27 13.114 6.547 -11.147 1.00 0.00 C ATOM 394 C LEU A 27 11.921 6.030 -10.350 1.00 0.00 C ATOM 395 O LEU A 27 10.924 6.731 -10.180 1.00 0.00 O ATOM 396 CB LEU A 27 13.029 6.053 -12.592 1.00 0.00 C ATOM 397 CG LEU A 27 11.627 5.737 -13.112 1.00 0.00 C ATOM 398 CD1 LEU A 27 10.718 6.947 -12.966 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.685 5.284 -14.564 1.00 0.00 C ATOM 0 H LEU A 27 14.931 5.500 -11.125 1.00 0.00 H new ATOM 0 HA LEU A 27 13.087 7.637 -11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.473 6.809 -13.240 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.640 5.155 -12.684 1.00 0.00 H new ATOM 0 HG LEU A 27 11.215 4.924 -12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.724 6.703 -13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.650 7.226 -11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.127 7.780 -13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.678 5.063 -14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.118 6.076 -15.175 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.301 4.388 -14.641 1.00 0.00 H new ATOM 411 N CYS A 28 12.032 4.800 -9.861 1.00 0.00 N ATOM 412 CA CYS A 28 10.964 4.188 -9.079 1.00 0.00 C ATOM 413 C CYS A 28 10.755 4.935 -7.765 1.00 0.00 C ATOM 414 O CYS A 28 9.658 5.415 -7.477 1.00 0.00 O ATOM 415 CB CYS A 28 11.286 2.719 -8.798 1.00 0.00 C ATOM 416 SG CYS A 28 10.807 1.583 -10.139 1.00 0.00 S ATOM 0 H CYS A 28 12.851 4.207 -9.992 1.00 0.00 H new ATOM 0 HA CYS A 28 10.044 4.246 -9.660 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.357 2.621 -8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.780 2.416 -7.881 1.00 0.00 H new ATOM 421 N THR A 29 11.817 5.030 -6.970 1.00 0.00 N ATOM 422 CA THR A 29 11.751 5.717 -5.686 1.00 0.00 C ATOM 423 C THR A 29 11.451 7.200 -5.871 1.00 0.00 C ATOM 424 O THR A 29 10.763 7.810 -5.053 1.00 0.00 O ATOM 425 CB THR A 29 13.066 5.565 -4.899 1.00 0.00 C ATOM 426 OG1 THR A 29 13.971 6.618 -5.251 1.00 0.00 O ATOM 427 CG2 THR A 29 13.713 4.218 -5.182 1.00 0.00 C ATOM 0 H THR A 29 12.733 4.640 -7.193 1.00 0.00 H new ATOM 0 HA THR A 29 10.943 5.253 -5.121 1.00 0.00 H new ATOM 0 HB THR A 29 12.837 5.623 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.804 6.516 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.640 4.133 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.033 3.419 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.930 4.135 -6.247 1.00 0.00 H new ATOM 435 N GLU A 30 11.971 7.774 -6.952 1.00 0.00 N ATOM 436 CA GLU A 30 11.758 9.187 -7.243 1.00 0.00 C ATOM 437 C GLU A 30 10.268 9.518 -7.272 1.00 0.00 C ATOM 438 O GLU A 30 9.874 10.670 -7.096 1.00 0.00 O ATOM 439 CB GLU A 30 12.399 9.557 -8.582 1.00 0.00 C ATOM 440 CG GLU A 30 12.042 10.953 -9.063 1.00 0.00 C ATOM 441 CD GLU A 30 12.495 11.214 -10.486 1.00 0.00 C ATOM 442 OE1 GLU A 30 13.449 10.544 -10.937 1.00 0.00 O ATOM 443 OE2 GLU A 30 11.898 12.087 -11.150 1.00 0.00 O ATOM 0 H GLU A 30 12.542 7.283 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 30 12.227 9.769 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.482 9.480 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.090 8.832 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.963 11.090 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.497 11.689 -8.400 1.00 0.00 H new ATOM 450 N ASN A 31 9.445 8.498 -7.495 1.00 0.00 N ATOM 451 CA ASN A 31 7.999 8.680 -7.548 1.00 0.00 C ATOM 452 C ASN A 31 7.339 8.159 -6.276 1.00 0.00 C ATOM 453 O ASN A 31 6.154 7.826 -6.270 1.00 0.00 O ATOM 454 CB ASN A 31 7.419 7.963 -8.768 1.00 0.00 C ATOM 455 CG ASN A 31 7.924 8.544 -10.075 1.00 0.00 C ATOM 456 OD1 ASN A 31 7.143 9.023 -10.897 1.00 0.00 O ATOM 457 ND2 ASN A 31 9.237 8.503 -10.272 1.00 0.00 N ATOM 0 H ASN A 31 9.755 7.537 -7.642 1.00 0.00 H new ATOM 0 HA ASN A 31 7.794 9.747 -7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.676 6.905 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.331 8.028 -8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.636 8.878 -11.133 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.847 8.096 -9.563 1.00 0.00 H new ATOM 464 N GLY A 32 8.114 8.091 -5.197 1.00 0.00 N ATOM 465 CA GLY A 32 7.587 7.610 -3.934 1.00 0.00 C ATOM 466 C GLY A 32 7.621 6.098 -3.829 1.00 0.00 C ATOM 467 O GLY A 32 6.578 5.445 -3.840 1.00 0.00 O ATOM 0 H GLY A 32 9.097 8.361 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.164 8.041 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.560 7.956 -3.817 1.00 0.00 H new ATOM 471 N ALA A 33 8.823 5.540 -3.730 1.00 0.00 N ATOM 472 CA ALA A 33 8.989 4.096 -3.623 1.00 0.00 C ATOM 473 C ALA A 33 10.240 3.745 -2.825 1.00 0.00 C ATOM 474 O ALA A 33 11.193 4.521 -2.775 1.00 0.00 O ATOM 475 CB ALA A 33 9.050 3.468 -5.007 1.00 0.00 C ATOM 0 H ALA A 33 9.697 6.067 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 33 8.126 3.694 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.174 2.389 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.126 3.681 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.894 3.883 -5.558 1.00 0.00 H new ATOM 481 N GLU A 34 10.229 2.570 -2.203 1.00 0.00 N ATOM 482 CA GLU A 34 11.364 2.118 -1.406 1.00 0.00 C ATOM 483 C GLU A 34 12.521 1.688 -2.303 1.00 0.00 C ATOM 484 O GLU A 34 13.689 1.875 -1.959 1.00 0.00 O ATOM 485 CB GLU A 34 10.948 0.957 -0.499 1.00 0.00 C ATOM 486 CG GLU A 34 11.846 0.782 0.714 1.00 0.00 C ATOM 487 CD GLU A 34 11.988 2.057 1.523 1.00 0.00 C ATOM 488 OE1 GLU A 34 12.999 2.190 2.245 1.00 0.00 O ATOM 489 OE2 GLU A 34 11.090 2.920 1.435 1.00 0.00 O ATOM 0 H GLU A 34 9.448 1.915 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 34 11.697 2.952 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.924 1.119 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.951 0.034 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.441 -0.005 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.832 0.452 0.387 1.00 0.00 H new ATOM 496 N SER A 35 12.189 1.111 -3.453 1.00 0.00 N ATOM 497 CA SER A 35 13.199 0.650 -4.397 1.00 0.00 C ATOM 498 C SER A 35 12.587 0.410 -5.774 1.00 0.00 C ATOM 499 O SER A 35 11.390 0.606 -5.976 1.00 0.00 O ATOM 500 CB SER A 35 13.857 -0.634 -3.888 1.00 0.00 C ATOM 501 OG SER A 35 14.762 -0.359 -2.833 1.00 0.00 O ATOM 0 H SER A 35 11.227 0.952 -3.753 1.00 0.00 H new ATOM 0 HA SER A 35 13.958 1.427 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.090 -1.327 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.385 -1.125 -4.706 1.00 0.00 H new ATOM 0 HG SER A 35 14.745 0.599 -2.629 1.00 0.00 H new ATOM 507 N GLY A 36 13.420 -0.017 -6.719 1.00 0.00 N ATOM 508 CA GLY A 36 12.943 -0.278 -8.065 1.00 0.00 C ATOM 509 C GLY A 36 14.025 -0.843 -8.963 1.00 0.00 C ATOM 510 O GLY A 36 15.175 -0.405 -8.914 1.00 0.00 O ATOM 0 H GLY A 36 14.416 -0.187 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.108 -0.978 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.562 0.647 -8.498 1.00 0.00 H new ATOM 514 N TYR A 37 13.658 -1.820 -9.785 1.00 0.00 N ATOM 515 CA TYR A 37 14.607 -2.450 -10.696 1.00 0.00 C ATOM 516 C TYR A 37 13.932 -2.829 -12.010 1.00 0.00 C ATOM 517 O TYR A 37 12.704 -2.863 -12.104 1.00 0.00 O ATOM 518 CB TYR A 37 15.221 -3.692 -10.048 1.00 0.00 C ATOM 519 CG TYR A 37 14.196 -4.651 -9.485 1.00 0.00 C ATOM 520 CD1 TYR A 37 14.209 -5.003 -8.141 1.00 0.00 C ATOM 521 CD2 TYR A 37 13.214 -5.204 -10.298 1.00 0.00 C ATOM 522 CE1 TYR A 37 13.275 -5.879 -7.623 1.00 0.00 C ATOM 523 CE2 TYR A 37 12.275 -6.080 -9.788 1.00 0.00 C ATOM 524 CZ TYR A 37 12.310 -6.414 -8.451 1.00 0.00 C ATOM 525 OH TYR A 37 11.377 -7.287 -7.939 1.00 0.00 O ATOM 0 H TYR A 37 12.710 -2.193 -9.839 1.00 0.00 H new ATOM 0 HA TYR A 37 15.398 -1.731 -10.909 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.828 -4.215 -10.787 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.892 -3.380 -9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.962 -4.584 -7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 37 13.184 -4.945 -11.346 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.300 -6.143 -6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.518 -6.501 -10.433 1.00 0.00 H new ATOM 0 HH TYR A 37 10.485 -6.885 -8.000 1.00 0.00 H new ATOM 535 N CYS A 38 14.742 -3.114 -13.024 1.00 0.00 N ATOM 536 CA CYS A 38 14.226 -3.491 -14.334 1.00 0.00 C ATOM 537 C CYS A 38 13.694 -4.921 -14.317 1.00 0.00 C ATOM 538 O CYS A 38 14.379 -5.843 -13.874 1.00 0.00 O ATOM 539 CB CYS A 38 15.320 -3.354 -15.395 1.00 0.00 C ATOM 540 SG CYS A 38 14.826 -3.933 -17.050 1.00 0.00 S ATOM 0 H CYS A 38 15.760 -3.091 -12.963 1.00 0.00 H new ATOM 0 HA CYS A 38 13.404 -2.819 -14.581 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.618 -2.308 -15.462 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.197 -3.915 -15.072 1.00 0.00 H new ATOM 545 N GLN A 39 12.470 -5.097 -14.804 1.00 0.00 N ATOM 546 CA GLN A 39 11.846 -6.414 -14.845 1.00 0.00 C ATOM 547 C GLN A 39 11.826 -6.963 -16.268 1.00 0.00 C ATOM 548 O GLN A 39 11.320 -6.315 -17.185 1.00 0.00 O ATOM 549 CB GLN A 39 10.422 -6.345 -14.292 1.00 0.00 C ATOM 550 CG GLN A 39 9.759 -7.705 -14.147 1.00 0.00 C ATOM 551 CD GLN A 39 8.827 -7.776 -12.953 1.00 0.00 C ATOM 552 OE1 GLN A 39 8.770 -6.853 -12.140 1.00 0.00 O ATOM 553 NE2 GLN A 39 8.091 -8.876 -12.841 1.00 0.00 N ATOM 0 H GLN A 39 11.891 -4.344 -15.176 1.00 0.00 H new ATOM 0 HA GLN A 39 12.437 -7.087 -14.224 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.442 -5.854 -13.319 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.815 -5.723 -14.950 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.199 -7.930 -15.054 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.528 -8.471 -14.049 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.171 -9.616 -13.538 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.446 -8.981 -12.058 1.00 0.00 H new ATOM 562 N ILE A 40 12.378 -8.158 -16.444 1.00 0.00 N ATOM 563 CA ILE A 40 12.422 -8.794 -17.755 1.00 0.00 C ATOM 564 C ILE A 40 11.251 -9.753 -17.941 1.00 0.00 C ATOM 565 O ILE A 40 10.836 -10.033 -19.066 1.00 0.00 O ATOM 566 CB ILE A 40 13.739 -9.563 -17.964 1.00 0.00 C ATOM 567 CG1 ILE A 40 14.917 -8.762 -17.406 1.00 0.00 C ATOM 568 CG2 ILE A 40 13.948 -9.865 -19.440 1.00 0.00 C ATOM 569 CD1 ILE A 40 16.022 -8.532 -18.413 1.00 0.00 C ATOM 0 H ILE A 40 12.801 -8.706 -15.695 1.00 0.00 H new ATOM 0 HA ILE A 40 12.356 -7.996 -18.495 1.00 0.00 H new ATOM 0 HB ILE A 40 13.680 -10.509 -17.425 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.554 -7.798 -17.050 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.326 -9.287 -16.543 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.883 -10.409 -19.571 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.121 -10.472 -19.808 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.990 -8.931 -20.000 1.00 0.00 H new ATOM 0 HD11 ILE A 40 16.824 -7.958 -17.949 1.00 0.00 H new ATOM 0 HD12 ILE A 40 16.412 -9.492 -18.751 1.00 0.00 H new ATOM 0 HD13 ILE A 40 15.628 -7.980 -19.266 1.00 0.00 H new ATOM 581 N LEU A 41 10.720 -10.252 -16.830 1.00 0.00 N ATOM 582 CA LEU A 41 9.595 -11.179 -16.869 1.00 0.00 C ATOM 583 C LEU A 41 8.275 -10.428 -17.017 1.00 0.00 C ATOM 584 O LEU A 41 7.254 -10.832 -16.464 1.00 0.00 O ATOM 585 CB LEU A 41 9.568 -12.034 -15.601 1.00 0.00 C ATOM 586 CG LEU A 41 10.770 -12.955 -15.387 1.00 0.00 C ATOM 587 CD1 LEU A 41 11.036 -13.784 -16.634 1.00 0.00 C ATOM 588 CD2 LEU A 41 12.002 -12.144 -15.010 1.00 0.00 C ATOM 0 H LEU A 41 11.051 -10.030 -15.891 1.00 0.00 H new ATOM 0 HA LEU A 41 9.722 -11.828 -17.735 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.487 -11.370 -14.741 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.666 -12.645 -15.618 1.00 0.00 H new ATOM 0 HG LEU A 41 10.542 -13.635 -14.566 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.895 -14.433 -16.463 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.160 -14.393 -16.860 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.244 -13.121 -17.474 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.848 -12.815 -14.861 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.233 -11.440 -15.810 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.808 -11.595 -14.088 1.00 0.00 H new ATOM 600 N GLY A 42 8.305 -9.332 -17.769 1.00 0.00 N ATOM 601 CA GLY A 42 7.106 -8.543 -17.978 1.00 0.00 C ATOM 602 C GLY A 42 6.352 -8.954 -19.227 1.00 0.00 C ATOM 603 O GLY A 42 6.941 -9.099 -20.298 1.00 0.00 O ATOM 0 H GLY A 42 9.139 -8.977 -18.237 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.452 -8.646 -17.112 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.376 -7.489 -18.051 1.00 0.00 H new ATOM 607 N LYS A 43 5.044 -9.144 -19.091 1.00 0.00 N ATOM 608 CA LYS A 43 4.206 -9.542 -20.217 1.00 0.00 C ATOM 609 C LYS A 43 4.415 -8.610 -21.406 1.00 0.00 C ATOM 610 O LYS A 43 4.184 -8.992 -22.554 1.00 0.00 O ATOM 611 CB LYS A 43 2.732 -9.542 -19.807 1.00 0.00 C ATOM 612 CG LYS A 43 2.389 -8.487 -18.770 1.00 0.00 C ATOM 613 CD LYS A 43 2.282 -9.088 -17.378 1.00 0.00 C ATOM 614 CE LYS A 43 0.906 -9.688 -17.135 1.00 0.00 C ATOM 615 NZ LYS A 43 0.645 -9.910 -15.686 1.00 0.00 N ATOM 0 H LYS A 43 4.541 -9.029 -18.211 1.00 0.00 H new ATOM 0 HA LYS A 43 4.494 -10.551 -20.514 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.117 -9.382 -20.693 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.473 -10.525 -19.413 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.153 -7.710 -18.774 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.446 -8.009 -19.034 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.043 -9.858 -17.253 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.482 -8.319 -16.632 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.144 -9.025 -17.544 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.824 -10.635 -17.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.303 -10.320 -15.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.357 -10.563 -15.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.698 -9.003 -15.181 1.00 0.00 H new ATOM 629 N TYR A 44 4.853 -7.388 -21.125 1.00 0.00 N ATOM 630 CA TYR A 44 5.092 -6.402 -22.171 1.00 0.00 C ATOM 631 C TYR A 44 6.576 -6.322 -22.517 1.00 0.00 C ATOM 632 O TYR A 44 7.054 -5.307 -23.021 1.00 0.00 O ATOM 633 CB TYR A 44 4.585 -5.027 -21.732 1.00 0.00 C ATOM 634 CG TYR A 44 3.420 -5.091 -20.769 1.00 0.00 C ATOM 635 CD1 TYR A 44 2.120 -5.252 -21.232 1.00 0.00 C ATOM 636 CD2 TYR A 44 3.620 -4.991 -19.398 1.00 0.00 C ATOM 637 CE1 TYR A 44 1.053 -5.310 -20.356 1.00 0.00 C ATOM 638 CE2 TYR A 44 2.559 -5.049 -18.515 1.00 0.00 C ATOM 639 CZ TYR A 44 1.277 -5.209 -18.999 1.00 0.00 C ATOM 640 OH TYR A 44 0.218 -5.266 -18.123 1.00 0.00 O ATOM 0 H TYR A 44 5.050 -7.057 -20.181 1.00 0.00 H new ATOM 0 HA TYR A 44 4.546 -6.716 -23.061 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.403 -4.480 -21.264 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.286 -4.460 -22.614 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.941 -5.333 -22.294 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.622 -4.866 -19.016 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.048 -5.434 -20.732 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.732 -4.970 -17.452 1.00 0.00 H new ATOM 0 HH TYR A 44 0.548 -5.181 -17.204 1.00 0.00 H new ATOM 650 N GLY A 45 7.300 -7.403 -22.242 1.00 0.00 N ATOM 651 CA GLY A 45 8.722 -7.436 -22.530 1.00 0.00 C ATOM 652 C GLY A 45 9.565 -7.031 -21.337 1.00 0.00 C ATOM 653 O GLY A 45 10.035 -7.882 -20.583 1.00 0.00 O ATOM 0 H GLY A 45 6.927 -8.256 -21.825 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.003 -8.441 -22.845 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.936 -6.769 -23.365 1.00 0.00 H new ATOM 657 N ASN A 46 9.758 -5.728 -21.166 1.00 0.00 N ATOM 658 CA ASN A 46 10.552 -5.211 -20.057 1.00 0.00 C ATOM 659 C ASN A 46 9.971 -3.900 -19.536 1.00 0.00 C ATOM 660 O ASN A 46 9.690 -2.984 -20.307 1.00 0.00 O ATOM 661 CB ASN A 46 12.003 -5.001 -20.496 1.00 0.00 C ATOM 662 CG ASN A 46 12.881 -6.197 -20.182 1.00 0.00 C ATOM 663 OD1 ASN A 46 13.001 -7.121 -20.987 1.00 0.00 O ATOM 664 ND2 ASN A 46 13.500 -6.184 -19.008 1.00 0.00 N ATOM 0 H ASN A 46 9.375 -5.010 -21.781 1.00 0.00 H new ATOM 0 HA ASN A 46 10.526 -5.944 -19.251 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.031 -4.805 -21.568 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.406 -4.118 -20.000 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.105 -6.961 -18.742 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.371 -5.397 -18.372 1.00 0.00 H new ATOM 671 N ALA A 47 9.795 -3.819 -18.221 1.00 0.00 N ATOM 672 CA ALA A 47 9.251 -2.620 -17.596 1.00 0.00 C ATOM 673 C ALA A 47 9.870 -2.388 -16.222 1.00 0.00 C ATOM 674 O ALA A 47 10.195 -3.337 -15.507 1.00 0.00 O ATOM 675 CB ALA A 47 7.737 -2.724 -17.485 1.00 0.00 C ATOM 0 H ALA A 47 10.021 -4.569 -17.568 1.00 0.00 H new ATOM 0 HA ALA A 47 9.500 -1.766 -18.226 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.344 -1.822 -17.016 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.306 -2.834 -18.480 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.475 -3.591 -16.879 1.00 0.00 H new ATOM 681 N CYS A 48 10.031 -1.120 -15.857 1.00 0.00 N ATOM 682 CA CYS A 48 10.612 -0.763 -14.569 1.00 0.00 C ATOM 683 C CYS A 48 9.709 -1.207 -13.422 1.00 0.00 C ATOM 684 O CYS A 48 8.599 -0.699 -13.260 1.00 0.00 O ATOM 685 CB CYS A 48 10.846 0.747 -14.492 1.00 0.00 C ATOM 686 SG CYS A 48 11.624 1.302 -12.941 1.00 0.00 S ATOM 0 H CYS A 48 9.767 -0.323 -16.436 1.00 0.00 H new ATOM 0 HA CYS A 48 11.568 -1.278 -14.476 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.475 1.049 -15.330 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.891 1.258 -14.610 1.00 0.00 H new ATOM 691 N TRP A 49 10.191 -2.158 -12.631 1.00 0.00 N ATOM 692 CA TRP A 49 9.427 -2.671 -11.499 1.00 0.00 C ATOM 693 C TRP A 49 9.811 -1.951 -10.212 1.00 0.00 C ATOM 694 O TRP A 49 10.936 -2.080 -9.728 1.00 0.00 O ATOM 695 CB TRP A 49 9.655 -4.176 -11.344 1.00 0.00 C ATOM 696 CG TRP A 49 8.958 -4.762 -10.153 1.00 0.00 C ATOM 697 CD1 TRP A 49 9.454 -4.873 -8.886 1.00 0.00 C ATOM 698 CD2 TRP A 49 7.640 -5.320 -10.121 1.00 0.00 C ATOM 699 NE1 TRP A 49 8.523 -5.466 -8.067 1.00 0.00 N ATOM 700 CE2 TRP A 49 7.401 -5.749 -8.801 1.00 0.00 C ATOM 701 CE3 TRP A 49 6.637 -5.497 -11.078 1.00 0.00 C ATOM 702 CZ2 TRP A 49 6.203 -6.343 -8.417 1.00 0.00 C ATOM 703 CZ3 TRP A 49 5.448 -6.087 -10.695 1.00 0.00 C ATOM 704 CH2 TRP A 49 5.238 -6.504 -9.374 1.00 0.00 C ATOM 0 H TRP A 49 11.107 -2.590 -12.752 1.00 0.00 H new ATOM 0 HA TRP A 49 8.370 -2.489 -11.693 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.309 -4.683 -12.245 1.00 0.00 H new ATOM 0 HB3 TRP A 49 10.725 -4.368 -11.261 1.00 0.00 H new ATOM 0 HD1 TRP A 49 10.434 -4.543 -8.573 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.647 -5.663 -7.074 1.00 0.00 H new ATOM 0 HE3 TRP A 49 6.789 -5.178 -12.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.040 -6.666 -7.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.667 -6.229 -11.427 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.297 -6.961 -9.106 1.00 0.00 H new ATOM 715 N CYS A 50 8.871 -1.191 -9.661 1.00 0.00 N ATOM 716 CA CYS A 50 9.110 -0.449 -8.429 1.00 0.00 C ATOM 717 C CYS A 50 8.619 -1.235 -7.216 1.00 0.00 C ATOM 718 O CYS A 50 7.561 -1.863 -7.258 1.00 0.00 O ATOM 719 CB CYS A 50 8.414 0.912 -8.485 1.00 0.00 C ATOM 720 SG CYS A 50 8.707 1.834 -10.028 1.00 0.00 S ATOM 0 H CYS A 50 7.935 -1.073 -10.049 1.00 0.00 H new ATOM 0 HA CYS A 50 10.185 -0.296 -8.330 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.341 0.765 -8.360 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.753 1.516 -7.643 1.00 0.00 H new ATOM 725 N ILE A 51 9.394 -1.193 -6.138 1.00 0.00 N ATOM 726 CA ILE A 51 9.037 -1.900 -4.914 1.00 0.00 C ATOM 727 C ILE A 51 8.585 -0.927 -3.830 1.00 0.00 C ATOM 728 O ILE A 51 9.175 0.139 -3.654 1.00 0.00 O ATOM 729 CB ILE A 51 10.217 -2.733 -4.380 1.00 0.00 C ATOM 730 CG1 ILE A 51 10.597 -3.822 -5.386 1.00 0.00 C ATOM 731 CG2 ILE A 51 9.866 -3.348 -3.034 1.00 0.00 C ATOM 732 CD1 ILE A 51 11.528 -3.339 -6.476 1.00 0.00 C ATOM 0 H ILE A 51 10.273 -0.677 -6.087 1.00 0.00 H new ATOM 0 HA ILE A 51 8.214 -2.570 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 51 11.075 -2.074 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.070 -4.647 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.689 -4.216 -5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.710 -3.934 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.639 -2.556 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.996 -3.996 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.755 -4.163 -7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.049 -2.534 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.452 -2.972 -6.029 1.00 0.00 H new ATOM 744 N GLN A 52 7.536 -1.303 -3.105 1.00 0.00 N ATOM 745 CA GLN A 52 7.006 -0.463 -2.037 1.00 0.00 C ATOM 746 C GLN A 52 6.389 0.812 -2.603 1.00 0.00 C ATOM 747 O GLN A 52 6.398 1.859 -1.954 1.00 0.00 O ATOM 748 CB GLN A 52 8.112 -0.110 -1.041 1.00 0.00 C ATOM 749 CG GLN A 52 8.234 -1.099 0.108 1.00 0.00 C ATOM 750 CD GLN A 52 7.329 -0.753 1.274 1.00 0.00 C ATOM 751 OE1 GLN A 52 7.780 -0.217 2.287 1.00 0.00 O ATOM 752 NE2 GLN A 52 6.044 -1.058 1.138 1.00 0.00 N ATOM 0 H GLN A 52 7.037 -2.183 -3.237 1.00 0.00 H new ATOM 0 HA GLN A 52 6.227 -1.024 -1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.064 -0.061 -1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.921 0.884 -0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.991 -2.099 -0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.268 -1.126 0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.713 -1.502 0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.388 -0.849 1.890 1.00 0.00 H new ATOM 761 N LEU A 53 5.853 0.717 -3.814 1.00 0.00 N ATOM 762 CA LEU A 53 5.231 1.863 -4.468 1.00 0.00 C ATOM 763 C LEU A 53 3.770 2.001 -4.051 1.00 0.00 C ATOM 764 O LEU A 53 3.006 1.035 -4.046 1.00 0.00 O ATOM 765 CB LEU A 53 5.328 1.723 -5.988 1.00 0.00 C ATOM 766 CG LEU A 53 5.292 3.027 -6.786 1.00 0.00 C ATOM 767 CD1 LEU A 53 6.540 3.852 -6.516 1.00 0.00 C ATOM 768 CD2 LEU A 53 5.153 2.738 -8.274 1.00 0.00 C ATOM 0 H LEU A 53 5.836 -0.142 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 53 5.765 2.761 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.254 1.200 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.508 1.090 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 53 4.424 3.603 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.497 4.776 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.597 4.089 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.423 3.283 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.129 3.677 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.001 2.141 -8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.229 2.188 -8.453 1.00 0.00 H new ATOM 780 N PRO A 54 3.370 3.230 -3.694 1.00 0.00 N ATOM 781 CA PRO A 54 1.997 3.525 -3.271 1.00 0.00 C ATOM 782 C PRO A 54 1.003 3.429 -4.423 1.00 0.00 C ATOM 783 O PRO A 54 1.354 3.663 -5.580 1.00 0.00 O ATOM 784 CB PRO A 54 2.085 4.964 -2.759 1.00 0.00 C ATOM 785 CG PRO A 54 3.248 5.553 -3.480 1.00 0.00 C ATOM 786 CD PRO A 54 4.226 4.428 -3.676 1.00 0.00 C ATOM 0 HA PRO A 54 1.638 2.815 -2.526 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.169 5.515 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.233 4.992 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.941 5.975 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.695 6.363 -2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.783 4.538 -4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.958 4.387 -2.869 1.00 0.00 H new ATOM 794 N ASP A 55 -0.239 3.085 -4.100 1.00 0.00 N ATOM 795 CA ASP A 55 -1.285 2.960 -5.108 1.00 0.00 C ATOM 796 C ASP A 55 -1.585 4.310 -5.750 1.00 0.00 C ATOM 797 O ASP A 55 -2.364 4.399 -6.698 1.00 0.00 O ATOM 798 CB ASP A 55 -2.557 2.383 -4.485 1.00 0.00 C ATOM 799 CG ASP A 55 -2.438 0.900 -4.194 1.00 0.00 C ATOM 800 OD1 ASP A 55 -2.291 0.537 -3.008 1.00 0.00 O ATOM 801 OD2 ASP A 55 -2.494 0.101 -5.153 1.00 0.00 O ATOM 0 H ASP A 55 -0.546 2.888 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.929 2.281 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.779 2.915 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.397 2.552 -5.159 1.00 0.00 H new ATOM 806 N ASN A 56 -0.962 5.361 -5.225 1.00 0.00 N ATOM 807 CA ASN A 56 -1.164 6.708 -5.746 1.00 0.00 C ATOM 808 C ASN A 56 -0.429 6.895 -7.070 1.00 0.00 C ATOM 809 O ASN A 56 -0.800 7.741 -7.884 1.00 0.00 O ATOM 810 CB ASN A 56 -0.683 7.747 -4.731 1.00 0.00 C ATOM 811 CG ASN A 56 -1.699 7.995 -3.632 1.00 0.00 C ATOM 812 OD1 ASN A 56 -2.753 8.585 -3.867 1.00 0.00 O ATOM 813 ND2 ASN A 56 -1.384 7.543 -2.424 1.00 0.00 N ATOM 0 H ASN A 56 -0.314 5.305 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.231 6.847 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.254 7.411 -4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.473 8.684 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.028 7.680 -1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.498 7.059 -2.275 1.00 0.00 H new ATOM 820 N VAL A 57 0.616 6.100 -7.278 1.00 0.00 N ATOM 821 CA VAL A 57 1.402 6.177 -8.503 1.00 0.00 C ATOM 822 C VAL A 57 0.765 5.354 -9.617 1.00 0.00 C ATOM 823 O VAL A 57 0.312 4.228 -9.411 1.00 0.00 O ATOM 824 CB VAL A 57 2.844 5.684 -8.276 1.00 0.00 C ATOM 825 CG1 VAL A 57 3.806 6.398 -9.212 1.00 0.00 C ATOM 826 CG2 VAL A 57 3.252 5.884 -6.824 1.00 0.00 C ATOM 0 H VAL A 57 0.937 5.396 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 57 1.426 7.226 -8.798 1.00 0.00 H new ATOM 0 HB VAL A 57 2.884 4.618 -8.498 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.819 6.037 -9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.523 6.199 -10.246 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.766 7.471 -9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.273 5.531 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.196 6.943 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.579 5.322 -6.176 1.00 0.00 H new ATOM 836 N PRO A 58 0.729 5.928 -10.829 1.00 0.00 N ATOM 837 CA PRO A 58 0.150 5.265 -12.002 1.00 0.00 C ATOM 838 C PRO A 58 0.994 4.087 -12.477 1.00 0.00 C ATOM 839 O PRO A 58 2.206 4.212 -12.655 1.00 0.00 O ATOM 840 CB PRO A 58 0.131 6.371 -13.061 1.00 0.00 C ATOM 841 CG PRO A 58 1.216 7.306 -12.651 1.00 0.00 C ATOM 842 CD PRO A 58 1.250 7.268 -11.148 1.00 0.00 C ATOM 0 HA PRO A 58 -0.832 4.843 -11.789 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.311 5.968 -14.058 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.835 6.874 -13.091 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.174 7.000 -13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.018 8.315 -13.011 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.261 7.408 -10.765 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.633 8.053 -10.712 1.00 0.00 H new ATOM 850 N ILE A 59 0.345 2.946 -12.681 1.00 0.00 N ATOM 851 CA ILE A 59 1.037 1.746 -13.137 1.00 0.00 C ATOM 852 C ILE A 59 0.694 1.433 -14.589 1.00 0.00 C ATOM 853 O ILE A 59 -0.195 2.051 -15.175 1.00 0.00 O ATOM 854 CB ILE A 59 0.685 0.527 -12.264 1.00 0.00 C ATOM 855 CG1 ILE A 59 -0.826 0.283 -12.275 1.00 0.00 C ATOM 856 CG2 ILE A 59 1.183 0.733 -10.841 1.00 0.00 C ATOM 857 CD1 ILE A 59 -1.218 -1.096 -11.792 1.00 0.00 C ATOM 0 H ILE A 59 -0.658 2.827 -12.538 1.00 0.00 H new ATOM 0 HA ILE A 59 2.105 1.946 -13.053 1.00 0.00 H new ATOM 0 HB ILE A 59 1.179 -0.352 -12.678 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.311 1.031 -11.648 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.202 0.425 -13.288 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.927 -0.137 -10.236 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.265 0.863 -10.849 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.714 1.621 -10.416 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.303 -1.199 -11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.761 -1.850 -12.434 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.873 -1.234 -10.767 1.00 0.00 H new ATOM 869 N ARG A 60 1.403 0.467 -15.164 1.00 0.00 N ATOM 870 CA ARG A 60 1.173 0.070 -16.548 1.00 0.00 C ATOM 871 C ARG A 60 -0.095 -0.770 -16.669 1.00 0.00 C ATOM 872 O ARG A 60 -0.162 -1.888 -16.158 1.00 0.00 O ATOM 873 CB ARG A 60 2.372 -0.717 -17.081 1.00 0.00 C ATOM 874 CG ARG A 60 2.064 -1.519 -18.335 1.00 0.00 C ATOM 875 CD ARG A 60 1.295 -0.691 -19.352 1.00 0.00 C ATOM 876 NE ARG A 60 1.638 -1.053 -20.725 1.00 0.00 N ATOM 877 CZ ARG A 60 0.882 -0.751 -21.775 1.00 0.00 C ATOM 878 NH1 ARG A 60 -0.252 -0.085 -21.610 1.00 0.00 N ATOM 879 NH2 ARG A 60 1.262 -1.115 -22.993 1.00 0.00 N ATOM 0 H ARG A 60 2.142 -0.055 -14.693 1.00 0.00 H new ATOM 0 HA ARG A 60 1.047 0.974 -17.143 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.186 -0.024 -17.294 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.726 -1.395 -16.304 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.994 -1.871 -18.780 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.483 -2.402 -18.070 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.225 -0.829 -19.197 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.506 0.366 -19.192 1.00 0.00 H new ATOM 0 HE ARG A 60 2.505 -1.565 -20.886 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.546 0.197 -20.675 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.830 0.145 -22.418 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.135 -1.627 -23.123 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.681 -0.883 -23.799 1.00 0.00 H new ATOM 893 N ILE A 61 -1.098 -0.223 -17.348 1.00 0.00 N ATOM 894 CA ILE A 61 -2.363 -0.922 -17.536 1.00 0.00 C ATOM 895 C ILE A 61 -2.529 -1.379 -18.982 1.00 0.00 C ATOM 896 O ILE A 61 -1.878 -0.874 -19.897 1.00 0.00 O ATOM 897 CB ILE A 61 -3.561 -0.033 -17.150 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.239 1.438 -17.420 1.00 0.00 C ATOM 899 CG2 ILE A 61 -3.926 -0.242 -15.688 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.555 2.130 -16.262 1.00 0.00 C ATOM 0 H ILE A 61 -1.059 0.702 -17.777 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.342 -1.793 -16.882 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.418 -0.316 -17.762 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.601 1.506 -18.301 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.163 1.967 -17.654 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.774 0.393 -15.430 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.192 -1.286 -15.525 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.074 0.018 -15.060 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.357 3.169 -16.525 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.200 2.094 -15.384 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.614 1.626 -16.042 1.00 0.00 H new ATOM 912 N PRO A 62 -3.422 -2.356 -19.195 1.00 0.00 N ATOM 913 CA PRO A 62 -3.696 -2.901 -20.527 1.00 0.00 C ATOM 914 C PRO A 62 -4.426 -1.905 -21.422 1.00 0.00 C ATOM 915 O PRO A 62 -5.565 -2.137 -21.826 1.00 0.00 O ATOM 916 CB PRO A 62 -4.586 -4.113 -20.239 1.00 0.00 C ATOM 917 CG PRO A 62 -5.238 -3.803 -18.935 1.00 0.00 C ATOM 918 CD PRO A 62 -4.234 -3.004 -18.151 1.00 0.00 C ATOM 0 HA PRO A 62 -2.779 -3.146 -21.063 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.325 -4.257 -21.027 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.999 -5.030 -20.180 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.158 -3.237 -19.083 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.508 -4.717 -18.406 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.719 -2.271 -17.507 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.627 -3.642 -17.508 1.00 0.00 H new ATOM 926 N GLY A 63 -3.762 -0.795 -21.730 1.00 0.00 N ATOM 927 CA GLY A 63 -4.364 0.219 -22.575 1.00 0.00 C ATOM 928 C GLY A 63 -3.382 0.797 -23.575 1.00 0.00 C ATOM 929 O GLY A 63 -2.219 0.395 -23.619 1.00 0.00 O ATOM 0 H GLY A 63 -2.818 -0.580 -21.409 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.210 -0.213 -23.109 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.757 1.021 -21.951 1.00 0.00 H new ATOM 933 N LYS A 64 -3.850 1.742 -24.383 1.00 0.00 N ATOM 934 CA LYS A 64 -3.007 2.376 -25.389 1.00 0.00 C ATOM 935 C LYS A 64 -2.226 3.541 -24.788 1.00 0.00 C ATOM 936 O LYS A 64 -2.721 4.243 -23.906 1.00 0.00 O ATOM 937 CB LYS A 64 -3.858 2.870 -26.561 1.00 0.00 C ATOM 938 CG LYS A 64 -3.060 3.129 -27.827 1.00 0.00 C ATOM 939 CD LYS A 64 -3.968 3.399 -29.014 1.00 0.00 C ATOM 940 CE LYS A 64 -4.559 2.112 -29.569 1.00 0.00 C ATOM 941 NZ LYS A 64 -5.013 2.272 -30.978 1.00 0.00 N ATOM 0 H LYS A 64 -4.810 2.086 -24.361 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.297 1.633 -25.752 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.631 2.132 -26.774 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.366 3.789 -26.268 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.398 3.981 -27.673 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.426 2.268 -28.041 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.773 4.070 -28.713 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.405 3.908 -29.796 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.814 1.318 -29.515 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.401 1.802 -28.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.409 1.373 -31.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.742 3.012 -31.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.205 2.543 -31.574 1.00 0.00 H new ATOM 955 N CYS A 65 -1.006 3.742 -25.273 1.00 0.00 N ATOM 956 CA CYS A 65 -0.157 4.822 -24.785 1.00 0.00 C ATOM 957 C CYS A 65 -0.308 6.068 -25.654 1.00 0.00 C ATOM 958 O CYS A 65 -0.554 5.973 -26.857 1.00 0.00 O ATOM 959 CB CYS A 65 1.307 4.378 -24.763 1.00 0.00 C ATOM 960 SG CYS A 65 2.494 5.742 -24.544 1.00 0.00 S ATOM 0 H CYS A 65 -0.583 3.171 -26.004 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.471 5.067 -23.770 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.445 3.657 -23.957 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.533 3.860 -25.695 1.00 0.00 H new ATOM 965 N HIS A 66 -0.160 7.235 -25.036 1.00 0.00 N ATOM 966 CA HIS A 66 -0.280 8.500 -25.753 1.00 0.00 C ATOM 967 C HIS A 66 0.212 8.359 -27.190 1.00 0.00 C ATOM 968 O HIS A 66 -0.478 8.748 -28.133 1.00 0.00 O ATOM 969 CB HIS A 66 0.513 9.594 -25.036 1.00 0.00 C ATOM 970 CG HIS A 66 1.956 9.250 -24.830 1.00 0.00 C ATOM 971 ND1 HIS A 66 2.682 9.674 -23.738 1.00 0.00 N ATOM 972 CD2 HIS A 66 2.808 8.517 -25.585 1.00 0.00 C ATOM 973 CE1 HIS A 66 3.919 9.219 -23.830 1.00 0.00 C ATOM 974 NE2 HIS A 66 4.021 8.513 -24.942 1.00 0.00 N ATOM 0 H HIS A 66 0.043 7.331 -24.041 1.00 0.00 H new ATOM 0 HA HIS A 66 -1.334 8.779 -25.774 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.447 10.517 -25.613 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.053 9.790 -24.068 1.00 0.00 H new ATOM 0 HD1 HIS A 66 2.321 10.249 -22.977 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.577 8.027 -26.519 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.712 9.394 -23.118 1.00 0.00 H new TER 982 HIS A 66