USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 418 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 37 GLN : amide:sc= -9.89! C(o=-10!,f=-15!) USER MOD Set 1.2: A 51 THR OG1 : rot -156:sc= -0.338 USER MOD Single : A 1 GLU N :NH3+ -164:sc= -0.588 (180deg=-1.03) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.2 USER MOD Single : A 9 TYR OH : rot -105:sc= 0.139 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.0133 USER MOD Single : A 27 SER OG : rot 130:sc= -0.151 USER MOD Single : A 29 THR OG1 : rot 100:sc= -0.769! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 146:sc= -0.346 (180deg=-1.4!) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc=-0.00695 (180deg=-0.714) USER MOD Single : A 47 THR OG1 : rot 180:sc=0.000141 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.448 -30.823 6.918 1.00 0.00 N ATOM 2 CA GLU A 1 -0.584 -30.266 7.839 1.00 0.00 C ATOM 3 C GLU A 1 -0.205 -28.838 8.216 1.00 0.00 C ATOM 4 O GLU A 1 -1.014 -28.097 8.774 1.00 0.00 O ATOM 5 CB GLU A 1 -0.664 -31.136 9.096 1.00 0.00 C ATOM 6 CG GLU A 1 -1.190 -32.524 8.723 1.00 0.00 C ATOM 7 CD GLU A 1 -0.499 -33.586 9.571 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.317 -34.313 9.027 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.798 -33.661 10.752 1.00 0.00 O ATOM 0 H1 GLU A 1 0.072 -31.672 6.448 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.694 -30.111 6.201 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.298 -31.076 7.461 1.00 0.00 H new ATOM 0 HA GLU A 1 -1.556 -30.260 7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.320 -31.220 9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -1.321 -30.672 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.268 -32.568 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.012 -32.718 7.665 1.00 0.00 H new ATOM 18 N VAL A 2 1.030 -28.457 7.907 1.00 0.00 N ATOM 19 CA VAL A 2 1.507 -27.115 8.217 1.00 0.00 C ATOM 20 C VAL A 2 0.473 -26.071 7.807 1.00 0.00 C ATOM 21 O VAL A 2 -0.290 -26.277 6.863 1.00 0.00 O ATOM 22 CB VAL A 2 2.824 -26.850 7.485 1.00 0.00 C ATOM 23 CG1 VAL A 2 3.964 -27.572 8.207 1.00 0.00 C ATOM 24 CG2 VAL A 2 2.721 -27.370 6.049 1.00 0.00 C ATOM 0 H VAL A 2 1.715 -29.055 7.445 1.00 0.00 H new ATOM 0 HA VAL A 2 1.669 -27.044 9.293 1.00 0.00 H new ATOM 0 HB VAL A 2 3.023 -25.778 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.902 -27.383 7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.037 -27.204 9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.765 -28.644 8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.659 -27.182 5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.522 -28.442 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.909 -26.857 5.534 1.00 0.00 H new ATOM 34 N ILE A 3 0.453 -24.951 8.523 1.00 0.00 N ATOM 35 CA ILE A 3 -0.493 -23.881 8.226 1.00 0.00 C ATOM 36 C ILE A 3 -0.760 -23.806 6.726 1.00 0.00 C ATOM 37 O ILE A 3 0.170 -23.721 5.923 1.00 0.00 O ATOM 38 CB ILE A 3 0.061 -22.543 8.721 1.00 0.00 C ATOM 39 CG1 ILE A 3 -0.273 -22.373 10.206 1.00 0.00 C ATOM 40 CG2 ILE A 3 -0.570 -21.400 7.925 1.00 0.00 C ATOM 41 CD1 ILE A 3 0.888 -21.674 10.916 1.00 0.00 C ATOM 0 H ILE A 3 1.076 -24.761 9.308 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.431 -24.094 8.738 1.00 0.00 H new ATOM 0 HB ILE A 3 1.142 -22.526 8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.186 -21.789 10.319 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.458 -23.346 10.661 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.174 -20.448 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.335 -21.520 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.651 -21.416 8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.649 -21.554 11.973 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.791 -22.275 10.815 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.052 -20.694 10.467 1.00 0.00 H new ATOM 53 N LYS A 4 -2.036 -23.844 6.355 1.00 0.00 N ATOM 54 CA LYS A 4 -2.416 -23.784 4.948 1.00 0.00 C ATOM 55 C LYS A 4 -2.979 -22.411 4.596 1.00 0.00 C ATOM 56 O LYS A 4 -3.934 -21.941 5.213 1.00 0.00 O ATOM 57 CB LYS A 4 -3.463 -24.857 4.644 1.00 0.00 C ATOM 58 CG LYS A 4 -3.984 -24.669 3.218 1.00 0.00 C ATOM 59 CD LYS A 4 -5.340 -23.959 3.259 1.00 0.00 C ATOM 60 CE LYS A 4 -6.438 -24.966 3.609 1.00 0.00 C ATOM 61 NZ LYS A 4 -7.382 -25.090 2.463 1.00 0.00 N ATOM 0 H LYS A 4 -2.820 -23.916 7.004 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.524 -23.961 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.026 -25.849 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.286 -24.790 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.273 -24.085 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.083 -25.636 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.320 -23.157 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.550 -23.498 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.997 -25.936 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.973 -24.641 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.128 -25.774 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.812 -24.164 2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.866 -25.419 1.622 1.00 0.00 H new ATOM 75 N LYS A 5 -2.381 -21.777 3.593 1.00 0.00 N ATOM 76 CA LYS A 5 -2.828 -20.462 3.153 1.00 0.00 C ATOM 77 C LYS A 5 -2.937 -20.421 1.632 1.00 0.00 C ATOM 78 O LYS A 5 -1.928 -20.343 0.931 1.00 0.00 O ATOM 79 CB LYS A 5 -1.843 -19.386 3.619 1.00 0.00 C ATOM 80 CG LYS A 5 -1.769 -19.386 5.147 1.00 0.00 C ATOM 81 CD LYS A 5 -2.791 -18.398 5.708 1.00 0.00 C ATOM 82 CE LYS A 5 -3.101 -18.754 7.162 1.00 0.00 C ATOM 83 NZ LYS A 5 -4.117 -17.806 7.699 1.00 0.00 N ATOM 0 H LYS A 5 -1.588 -22.151 3.071 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.808 -20.269 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.856 -19.575 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.161 -18.407 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.966 -20.387 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.766 -19.112 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.402 -17.382 5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.704 -18.426 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.472 -19.777 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.192 -18.707 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.329 -18.047 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.746 -16.836 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.987 -17.872 7.133 1.00 0.00 H new ATOM 97 N ASP A 6 -4.164 -20.474 1.128 1.00 0.00 N ATOM 98 CA ASP A 6 -4.390 -20.443 -0.311 1.00 0.00 C ATOM 99 C ASP A 6 -4.946 -19.088 -0.735 1.00 0.00 C ATOM 100 O ASP A 6 -5.891 -18.580 -0.133 1.00 0.00 O ATOM 101 CB ASP A 6 -5.372 -21.546 -0.711 1.00 0.00 C ATOM 102 CG ASP A 6 -5.717 -21.425 -2.192 1.00 0.00 C ATOM 103 OD1 ASP A 6 -5.181 -22.198 -2.970 1.00 0.00 O ATOM 104 OD2 ASP A 6 -6.511 -20.561 -2.528 1.00 0.00 O ATOM 0 H ASP A 6 -5.012 -20.538 1.690 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.436 -20.607 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.935 -22.524 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.279 -21.472 -0.111 1.00 0.00 H new ATOM 109 N THR A 7 -4.357 -18.510 -1.778 1.00 0.00 N ATOM 110 CA THR A 7 -4.807 -17.215 -2.272 1.00 0.00 C ATOM 111 C THR A 7 -5.604 -17.397 -3.565 1.00 0.00 C ATOM 112 O THR A 7 -5.570 -18.470 -4.168 1.00 0.00 O ATOM 113 CB THR A 7 -3.601 -16.302 -2.520 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.967 -14.954 -2.263 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.135 -16.439 -3.971 1.00 0.00 C ATOM 0 H THR A 7 -3.574 -18.914 -2.292 1.00 0.00 H new ATOM 0 HA THR A 7 -5.451 -16.753 -1.523 1.00 0.00 H new ATOM 0 HB THR A 7 -2.788 -16.592 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.196 -14.370 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.278 -15.788 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.849 -17.473 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.946 -16.154 -4.642 1.00 0.00 H new ATOM 123 N PRO A 8 -6.319 -16.387 -4.003 1.00 0.00 N ATOM 124 CA PRO A 8 -7.129 -16.458 -5.241 1.00 0.00 C ATOM 125 C PRO A 8 -6.385 -15.891 -6.448 1.00 0.00 C ATOM 126 O PRO A 8 -5.559 -14.988 -6.314 1.00 0.00 O ATOM 127 CB PRO A 8 -8.320 -15.578 -4.883 1.00 0.00 C ATOM 128 CG PRO A 8 -7.752 -14.505 -4.001 1.00 0.00 C ATOM 129 CD PRO A 8 -6.461 -15.065 -3.376 1.00 0.00 C ATOM 0 HA PRO A 8 -7.387 -17.477 -5.528 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.781 -15.154 -5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.092 -16.148 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.541 -13.605 -4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.466 -14.227 -3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.603 -14.427 -3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.541 -15.142 -2.292 1.00 0.00 H new ATOM 137 N TYR A 9 -6.676 -16.441 -7.621 1.00 0.00 N ATOM 138 CA TYR A 9 -6.024 -15.998 -8.847 1.00 0.00 C ATOM 139 C TYR A 9 -7.026 -15.933 -9.996 1.00 0.00 C ATOM 140 O TYR A 9 -7.049 -14.969 -10.761 1.00 0.00 O ATOM 141 CB TYR A 9 -4.901 -16.975 -9.201 1.00 0.00 C ATOM 142 CG TYR A 9 -4.092 -16.434 -10.353 1.00 0.00 C ATOM 143 CD1 TYR A 9 -3.267 -15.319 -10.169 1.00 0.00 C ATOM 144 CD2 TYR A 9 -4.163 -17.053 -11.606 1.00 0.00 C ATOM 145 CE1 TYR A 9 -2.512 -14.823 -11.238 1.00 0.00 C ATOM 146 CE2 TYR A 9 -3.410 -16.556 -12.676 1.00 0.00 C ATOM 147 CZ TYR A 9 -2.584 -15.441 -12.492 1.00 0.00 C ATOM 148 OH TYR A 9 -1.838 -14.953 -13.547 1.00 0.00 O ATOM 0 H TYR A 9 -7.356 -17.191 -7.749 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.614 -15.001 -8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.257 -17.131 -8.335 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.322 -17.945 -9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.213 -14.841 -9.202 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.799 -17.914 -11.747 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.874 -13.963 -11.095 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.466 -17.033 -13.643 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.423 -14.463 -14.162 1.00 0.00 H new ATOM 158 N LYS A 10 -7.849 -16.969 -10.107 1.00 0.00 N ATOM 159 CA LYS A 10 -8.850 -17.032 -11.165 1.00 0.00 C ATOM 160 C LYS A 10 -8.197 -17.363 -12.501 1.00 0.00 C ATOM 161 O LYS A 10 -8.452 -18.419 -13.072 1.00 0.00 O ATOM 162 CB LYS A 10 -9.595 -15.702 -11.272 1.00 0.00 C ATOM 163 CG LYS A 10 -11.064 -15.980 -11.580 1.00 0.00 C ATOM 164 CD LYS A 10 -11.856 -14.671 -11.536 1.00 0.00 C ATOM 165 CE LYS A 10 -12.441 -14.378 -12.918 1.00 0.00 C ATOM 166 NZ LYS A 10 -12.966 -12.985 -12.950 1.00 0.00 N ATOM 0 H LYS A 10 -7.843 -17.774 -9.480 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.560 -17.820 -10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.505 -15.144 -10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.156 -15.086 -12.057 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.159 -16.441 -12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.470 -16.687 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.656 -14.743 -10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.208 -13.852 -11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.676 -14.507 -13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.240 -15.084 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.364 -12.785 -13.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.708 -12.877 -12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.193 -12.318 -12.753 1.00 0.00 H new ATOM 180 N LYS A 11 -7.352 -16.452 -12.982 1.00 0.00 N ATOM 181 CA LYS A 11 -6.649 -16.647 -14.250 1.00 0.00 C ATOM 182 C LYS A 11 -6.308 -15.300 -14.882 1.00 0.00 C ATOM 183 O LYS A 11 -6.360 -15.146 -16.103 1.00 0.00 O ATOM 184 CB LYS A 11 -7.496 -17.464 -15.231 1.00 0.00 C ATOM 185 CG LYS A 11 -8.945 -16.968 -15.206 1.00 0.00 C ATOM 186 CD LYS A 11 -9.323 -16.425 -16.588 1.00 0.00 C ATOM 187 CE LYS A 11 -10.825 -16.139 -16.642 1.00 0.00 C ATOM 188 NZ LYS A 11 -11.183 -15.628 -17.995 1.00 0.00 N ATOM 0 H LYS A 11 -7.137 -15.572 -12.513 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.731 -17.194 -14.037 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.089 -17.375 -16.238 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.459 -18.520 -14.965 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.614 -17.782 -14.928 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.061 -16.188 -14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.763 -15.513 -16.796 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.054 -17.147 -17.358 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.387 -17.047 -16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.094 -15.406 -15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.204 -15.433 -18.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.656 -14.752 -18.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.940 -16.342 -18.711 1.00 0.00 H new ATOM 202 N ARG A 12 -5.961 -14.328 -14.046 1.00 0.00 N ATOM 203 CA ARG A 12 -5.616 -13.000 -14.540 1.00 0.00 C ATOM 204 C ARG A 12 -4.733 -13.103 -15.780 1.00 0.00 C ATOM 205 O ARG A 12 -3.526 -13.321 -15.677 1.00 0.00 O ATOM 206 CB ARG A 12 -4.883 -12.209 -13.456 1.00 0.00 C ATOM 207 CG ARG A 12 -5.326 -10.746 -13.505 1.00 0.00 C ATOM 208 CD ARG A 12 -4.171 -9.847 -13.065 1.00 0.00 C ATOM 209 NE ARG A 12 -4.662 -8.506 -12.770 1.00 0.00 N ATOM 210 CZ ARG A 12 -3.824 -7.508 -12.511 1.00 0.00 C ATOM 211 NH1 ARG A 12 -4.290 -6.317 -12.250 1.00 0.00 N ATOM 212 NH2 ARG A 12 -2.537 -7.718 -12.520 1.00 0.00 N ATOM 0 H ARG A 12 -5.911 -14.432 -13.033 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.538 -12.483 -14.804 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.097 -12.632 -12.475 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.806 -12.279 -13.605 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.640 -10.484 -14.515 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.187 -10.594 -12.854 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.688 -10.268 -12.183 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.416 -9.801 -13.850 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.667 -8.331 -12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.297 -6.153 -12.245 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.647 -5.550 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.174 -8.649 -12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.894 -6.952 -12.321 1.00 0.00 H new ATOM 226 N LYS A 13 -5.344 -12.945 -16.949 1.00 0.00 N ATOM 227 CA LYS A 13 -4.603 -13.022 -18.202 1.00 0.00 C ATOM 228 C LYS A 13 -4.046 -14.427 -18.409 1.00 0.00 C ATOM 229 O LYS A 13 -4.734 -15.419 -18.171 1.00 0.00 O ATOM 230 CB LYS A 13 -3.454 -12.013 -18.192 1.00 0.00 C ATOM 231 CG LYS A 13 -3.175 -11.545 -19.621 1.00 0.00 C ATOM 232 CD LYS A 13 -4.012 -10.301 -19.923 1.00 0.00 C ATOM 233 CE LYS A 13 -3.230 -9.048 -19.526 1.00 0.00 C ATOM 234 NZ LYS A 13 -3.914 -7.842 -20.070 1.00 0.00 N ATOM 0 H LYS A 13 -6.342 -12.764 -17.055 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.284 -12.789 -19.020 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.709 -11.161 -17.562 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.560 -12.468 -17.766 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.115 -11.321 -19.741 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.415 -12.339 -20.328 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.260 -10.266 -20.984 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.954 -10.343 -19.376 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.158 -8.980 -18.440 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.211 -9.105 -19.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.382 -6.990 -19.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.960 -7.907 -21.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.878 -7.786 -19.683 1.00 0.00 H new ATOM 248 N PHE A 14 -2.796 -14.501 -18.854 1.00 0.00 N ATOM 249 CA PHE A 14 -2.155 -15.789 -19.088 1.00 0.00 C ATOM 250 C PHE A 14 -1.589 -16.349 -17.784 1.00 0.00 C ATOM 251 O PHE A 14 -1.021 -15.610 -16.980 1.00 0.00 O ATOM 252 CB PHE A 14 -1.020 -15.627 -20.102 1.00 0.00 C ATOM 253 CG PHE A 14 -1.560 -15.784 -21.503 1.00 0.00 C ATOM 254 CD1 PHE A 14 -1.369 -16.986 -22.196 1.00 0.00 C ATOM 255 CD2 PHE A 14 -2.248 -14.728 -22.113 1.00 0.00 C ATOM 256 CE1 PHE A 14 -1.865 -17.132 -23.496 1.00 0.00 C ATOM 257 CE2 PHE A 14 -2.746 -14.874 -23.413 1.00 0.00 C ATOM 258 CZ PHE A 14 -2.553 -16.076 -24.105 1.00 0.00 C ATOM 0 H PHE A 14 -2.211 -13.691 -19.058 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.901 -16.481 -19.478 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.556 -14.647 -19.989 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.245 -16.370 -19.916 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.838 -17.801 -21.726 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.395 -13.800 -21.580 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.717 -18.059 -24.030 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.279 -14.060 -23.882 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.935 -16.188 -25.109 1.00 0.00 H new ATOM 268 N PRO A 15 -1.724 -17.633 -17.563 1.00 0.00 N ATOM 269 CA PRO A 15 -1.203 -18.292 -16.329 1.00 0.00 C ATOM 270 C PRO A 15 0.323 -18.317 -16.307 1.00 0.00 C ATOM 271 O PRO A 15 0.965 -18.361 -17.357 1.00 0.00 O ATOM 272 CB PRO A 15 -1.777 -19.710 -16.396 1.00 0.00 C ATOM 273 CG PRO A 15 -2.085 -19.954 -17.836 1.00 0.00 C ATOM 274 CD PRO A 15 -2.386 -18.593 -18.461 1.00 0.00 C ATOM 0 HA PRO A 15 -1.495 -17.762 -15.423 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.061 -20.440 -16.020 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.674 -19.798 -15.783 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.242 -20.431 -18.336 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.938 -20.624 -17.940 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.995 -18.525 -19.476 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.459 -18.410 -18.520 1.00 0.00 H new ATOM 282 N TYR A 16 0.900 -18.280 -15.111 1.00 0.00 N ATOM 283 CA TYR A 16 2.353 -18.290 -14.982 1.00 0.00 C ATOM 284 C TYR A 16 2.778 -18.774 -13.601 1.00 0.00 C ATOM 285 O TYR A 16 3.909 -18.544 -13.175 1.00 0.00 O ATOM 286 CB TYR A 16 2.902 -16.882 -15.220 1.00 0.00 C ATOM 287 CG TYR A 16 4.128 -16.958 -16.096 1.00 0.00 C ATOM 288 CD1 TYR A 16 3.997 -17.245 -17.460 1.00 0.00 C ATOM 289 CD2 TYR A 16 5.396 -16.740 -15.546 1.00 0.00 C ATOM 290 CE1 TYR A 16 5.134 -17.316 -18.273 1.00 0.00 C ATOM 291 CE2 TYR A 16 6.533 -16.811 -16.358 1.00 0.00 C ATOM 292 CZ TYR A 16 6.403 -17.098 -17.722 1.00 0.00 C ATOM 293 OH TYR A 16 7.524 -17.168 -18.523 1.00 0.00 O ATOM 0 H TYR A 16 0.392 -18.243 -14.227 1.00 0.00 H new ATOM 0 HA TYR A 16 2.756 -18.976 -15.727 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.142 -16.260 -15.693 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.151 -16.412 -14.268 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.018 -17.412 -17.885 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.497 -16.517 -14.494 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.033 -17.539 -19.325 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.511 -16.644 -15.932 1.00 0.00 H new ATOM 0 HH TYR A 16 8.323 -16.990 -17.984 1.00 0.00 H new ATOM 303 N LYS A 17 1.869 -19.448 -12.904 1.00 0.00 N ATOM 304 CA LYS A 17 2.169 -19.958 -11.572 1.00 0.00 C ATOM 305 C LYS A 17 2.735 -18.850 -10.689 1.00 0.00 C ATOM 306 O LYS A 17 2.040 -18.321 -9.821 1.00 0.00 O ATOM 307 CB LYS A 17 3.179 -21.104 -11.669 1.00 0.00 C ATOM 308 CG LYS A 17 2.559 -22.266 -12.449 1.00 0.00 C ATOM 309 CD LYS A 17 3.669 -23.124 -13.064 1.00 0.00 C ATOM 310 CE LYS A 17 4.164 -22.472 -14.355 1.00 0.00 C ATOM 311 NZ LYS A 17 4.935 -23.469 -15.151 1.00 0.00 N ATOM 0 H LYS A 17 0.926 -19.652 -13.236 1.00 0.00 H new ATOM 0 HA LYS A 17 1.245 -20.325 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.087 -20.762 -12.166 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.467 -21.435 -10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.941 -22.873 -11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.905 -21.883 -13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.493 -23.230 -12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.295 -24.127 -13.271 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.319 -22.102 -14.936 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.792 -21.612 -14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.272 -23.026 -16.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.749 -23.801 -14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.322 -24.276 -15.384 1.00 0.00 H new ATOM 325 N SER A 18 3.997 -18.503 -10.917 1.00 0.00 N ATOM 326 CA SER A 18 4.642 -17.454 -10.136 1.00 0.00 C ATOM 327 C SER A 18 3.711 -16.255 -9.986 1.00 0.00 C ATOM 328 O SER A 18 3.512 -15.745 -8.883 1.00 0.00 O ATOM 329 CB SER A 18 5.937 -17.014 -10.818 1.00 0.00 C ATOM 330 OG SER A 18 6.224 -15.669 -10.458 1.00 0.00 O ATOM 0 H SER A 18 4.589 -18.929 -11.630 1.00 0.00 H new ATOM 0 HA SER A 18 4.872 -17.851 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.758 -17.666 -10.520 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.839 -17.100 -11.900 1.00 0.00 H new ATOM 0 HG SER A 18 7.055 -15.384 -10.893 1.00 0.00 H new ATOM 336 N GLU A 19 3.141 -15.812 -11.103 1.00 0.00 N ATOM 337 CA GLU A 19 2.228 -14.674 -11.083 1.00 0.00 C ATOM 338 C GLU A 19 1.089 -14.923 -10.102 1.00 0.00 C ATOM 339 O GLU A 19 0.490 -13.984 -9.577 1.00 0.00 O ATOM 340 CB GLU A 19 1.658 -14.439 -12.482 1.00 0.00 C ATOM 341 CG GLU A 19 0.929 -13.093 -12.517 1.00 0.00 C ATOM 342 CD GLU A 19 1.921 -11.957 -12.295 1.00 0.00 C ATOM 343 OE1 GLU A 19 2.026 -11.502 -11.168 1.00 0.00 O ATOM 344 OE2 GLU A 19 2.561 -11.558 -13.254 1.00 0.00 O ATOM 0 H GLU A 19 3.293 -16.220 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 19 2.781 -13.791 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.460 -14.449 -13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.972 -15.243 -12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.427 -12.967 -13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.157 -13.068 -11.748 1.00 0.00 H new ATOM 351 N CYS A 20 0.797 -16.196 -9.859 1.00 0.00 N ATOM 352 CA CYS A 20 -0.270 -16.564 -8.937 1.00 0.00 C ATOM 353 C CYS A 20 0.293 -16.785 -7.541 1.00 0.00 C ATOM 354 O CYS A 20 -0.278 -16.330 -6.550 1.00 0.00 O ATOM 355 CB CYS A 20 -0.962 -17.839 -9.423 1.00 0.00 C ATOM 356 SG CYS A 20 -2.120 -18.418 -8.158 1.00 0.00 S ATOM 0 H CYS A 20 1.281 -16.986 -10.285 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.997 -15.752 -8.900 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.493 -17.645 -10.355 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.221 -18.610 -9.633 1.00 0.00 H new ATOM 361 N LEU A 21 1.424 -17.475 -7.470 1.00 0.00 N ATOM 362 CA LEU A 21 2.060 -17.735 -6.188 1.00 0.00 C ATOM 363 C LEU A 21 2.386 -16.419 -5.496 1.00 0.00 C ATOM 364 O LEU A 21 2.274 -16.301 -4.276 1.00 0.00 O ATOM 365 CB LEU A 21 3.344 -18.539 -6.398 1.00 0.00 C ATOM 366 CG LEU A 21 3.744 -19.222 -5.090 1.00 0.00 C ATOM 367 CD1 LEU A 21 4.866 -20.223 -5.361 1.00 0.00 C ATOM 368 CD2 LEU A 21 4.232 -18.169 -4.092 1.00 0.00 C ATOM 0 H LEU A 21 1.915 -17.861 -8.277 1.00 0.00 H new ATOM 0 HA LEU A 21 1.376 -18.309 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.194 -19.285 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.145 -17.882 -6.736 1.00 0.00 H new ATOM 0 HG LEU A 21 2.882 -19.744 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.152 -20.710 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.520 -20.974 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.728 -19.700 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.517 -18.656 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.094 -17.646 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.433 -17.454 -3.898 1.00 0.00 H new ATOM 380 N LYS A 22 2.783 -15.425 -6.287 1.00 0.00 N ATOM 381 CA LYS A 22 3.113 -14.117 -5.739 1.00 0.00 C ATOM 382 C LYS A 22 1.946 -13.585 -4.918 1.00 0.00 C ATOM 383 O LYS A 22 2.110 -13.219 -3.755 1.00 0.00 O ATOM 384 CB LYS A 22 3.433 -13.134 -6.867 1.00 0.00 C ATOM 385 CG LYS A 22 3.506 -11.714 -6.300 1.00 0.00 C ATOM 386 CD LYS A 22 4.271 -10.812 -7.271 1.00 0.00 C ATOM 387 CE LYS A 22 4.327 -9.390 -6.709 1.00 0.00 C ATOM 388 NZ LYS A 22 4.705 -8.442 -7.794 1.00 0.00 N ATOM 0 H LYS A 22 2.883 -15.501 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 22 3.988 -14.221 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.380 -13.399 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.667 -13.189 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.501 -11.323 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.002 -11.724 -5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.280 -11.195 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.782 -10.811 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.359 -9.114 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.051 -9.337 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.743 -7.475 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.638 -8.702 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.998 -8.486 -8.555 1.00 0.00 H new ATOM 402 N ALA A 23 0.764 -13.550 -5.529 1.00 0.00 N ATOM 403 CA ALA A 23 -0.421 -13.068 -4.832 1.00 0.00 C ATOM 404 C ALA A 23 -0.404 -13.561 -3.393 1.00 0.00 C ATOM 405 O ALA A 23 -0.746 -12.826 -2.466 1.00 0.00 O ATOM 406 CB ALA A 23 -1.684 -13.568 -5.533 1.00 0.00 C ATOM 0 H ALA A 23 0.604 -13.846 -6.492 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.419 -11.978 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.563 -13.202 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.700 -13.202 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.691 -14.658 -5.537 1.00 0.00 H new ATOM 412 N CYS A 24 0.008 -14.812 -3.216 1.00 0.00 N ATOM 413 CA CYS A 24 0.082 -15.402 -1.886 1.00 0.00 C ATOM 414 C CYS A 24 1.037 -14.599 -1.009 1.00 0.00 C ATOM 415 O CYS A 24 0.760 -14.349 0.164 1.00 0.00 O ATOM 416 CB CYS A 24 0.571 -16.848 -1.983 1.00 0.00 C ATOM 417 SG CYS A 24 -0.488 -17.917 -0.979 1.00 0.00 S ATOM 0 H CYS A 24 0.294 -15.433 -3.973 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.913 -15.387 -1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.557 -17.178 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.603 -16.917 -1.640 1.00 0.00 H new ATOM 422 N ALA A 25 2.165 -14.201 -1.589 1.00 0.00 N ATOM 423 CA ALA A 25 3.162 -13.428 -0.855 1.00 0.00 C ATOM 424 C ALA A 25 2.736 -11.968 -0.734 1.00 0.00 C ATOM 425 O ALA A 25 3.246 -11.231 0.109 1.00 0.00 O ATOM 426 CB ALA A 25 4.512 -13.507 -1.569 1.00 0.00 C ATOM 0 H ALA A 25 2.411 -14.399 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 25 3.251 -13.850 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.251 -12.928 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.834 -14.547 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.415 -13.103 -2.577 1.00 0.00 H new ATOM 432 N THR A 26 1.801 -11.555 -1.583 1.00 0.00 N ATOM 433 CA THR A 26 1.319 -10.179 -1.560 1.00 0.00 C ATOM 434 C THR A 26 0.060 -10.063 -0.705 1.00 0.00 C ATOM 435 O THR A 26 -0.325 -8.967 -0.299 1.00 0.00 O ATOM 436 CB THR A 26 1.019 -9.707 -2.985 1.00 0.00 C ATOM 437 OG1 THR A 26 1.930 -10.320 -3.887 1.00 0.00 O ATOM 438 CG2 THR A 26 1.170 -8.187 -3.061 1.00 0.00 C ATOM 0 H THR A 26 1.365 -12.147 -2.290 1.00 0.00 H new ATOM 0 HA THR A 26 2.096 -9.550 -1.125 1.00 0.00 H new ATOM 0 HB THR A 26 -0.000 -9.984 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.084 -9.726 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.957 -7.850 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.472 -7.717 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.189 -7.909 -2.793 1.00 0.00 H new ATOM 446 N SER A 27 -0.575 -11.198 -0.436 1.00 0.00 N ATOM 447 CA SER A 27 -1.789 -11.208 0.374 1.00 0.00 C ATOM 448 C SER A 27 -1.708 -10.154 1.473 1.00 0.00 C ATOM 449 O SER A 27 -2.565 -9.277 1.571 1.00 0.00 O ATOM 450 CB SER A 27 -1.987 -12.588 1.001 1.00 0.00 C ATOM 451 OG SER A 27 -2.210 -12.441 2.398 1.00 0.00 O ATOM 0 H SER A 27 -0.274 -12.116 -0.763 1.00 0.00 H new ATOM 0 HA SER A 27 -2.636 -10.978 -0.272 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.834 -13.093 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.109 -13.210 0.824 1.00 0.00 H new ATOM 0 HG SER A 27 -3.008 -12.948 2.657 1.00 0.00 H new ATOM 457 N PHE A 28 -0.670 -10.247 2.300 1.00 0.00 N ATOM 458 CA PHE A 28 -0.486 -9.295 3.389 1.00 0.00 C ATOM 459 C PHE A 28 0.902 -8.665 3.320 1.00 0.00 C ATOM 460 O PHE A 28 1.035 -7.451 3.159 1.00 0.00 O ATOM 461 CB PHE A 28 -0.662 -10.000 4.736 1.00 0.00 C ATOM 462 CG PHE A 28 -0.535 -8.993 5.853 1.00 0.00 C ATOM 463 CD1 PHE A 28 -1.530 -8.025 6.041 1.00 0.00 C ATOM 464 CD2 PHE A 28 0.576 -9.027 6.702 1.00 0.00 C ATOM 465 CE1 PHE A 28 -1.413 -7.093 7.080 1.00 0.00 C ATOM 466 CE2 PHE A 28 0.694 -8.094 7.741 1.00 0.00 C ATOM 467 CZ PHE A 28 -0.301 -7.128 7.930 1.00 0.00 C ATOM 0 H PHE A 28 0.051 -10.966 2.237 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.235 -8.510 3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.637 -10.486 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.089 -10.782 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.387 -7.997 5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.343 -9.773 6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.181 -6.347 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.553 -8.120 8.396 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.211 -6.410 8.731 1.00 0.00 H new ATOM 477 N THR A 29 1.933 -9.495 3.442 1.00 0.00 N ATOM 478 CA THR A 29 3.305 -9.004 3.389 1.00 0.00 C ATOM 479 C THR A 29 3.683 -8.328 4.702 1.00 0.00 C ATOM 480 O THR A 29 3.146 -8.658 5.759 1.00 0.00 O ATOM 481 CB THR A 29 3.461 -8.009 2.237 1.00 0.00 C ATOM 482 OG1 THR A 29 2.351 -8.128 1.359 1.00 0.00 O ATOM 483 CG2 THR A 29 4.753 -8.304 1.474 1.00 0.00 C ATOM 0 H THR A 29 1.846 -10.502 3.577 1.00 0.00 H new ATOM 0 HA THR A 29 3.968 -9.854 3.226 1.00 0.00 H new ATOM 0 HB THR A 29 3.503 -6.995 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.706 -7.415 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.862 -7.594 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.604 -8.211 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.716 -9.317 1.074 1.00 0.00 H new ATOM 491 N GLY A 30 4.611 -7.380 4.626 1.00 0.00 N ATOM 492 CA GLY A 30 5.054 -6.663 5.815 1.00 0.00 C ATOM 493 C GLY A 30 6.286 -7.324 6.419 1.00 0.00 C ATOM 494 O GLY A 30 6.838 -6.845 7.410 1.00 0.00 O ATOM 0 H GLY A 30 5.068 -7.092 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.281 -5.628 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.251 -6.640 6.551 1.00 0.00 H new ATOM 498 N GLY A 31 6.714 -8.429 5.817 1.00 0.00 N ATOM 499 CA GLY A 31 7.884 -9.149 6.305 1.00 0.00 C ATOM 500 C GLY A 31 8.215 -10.331 5.400 1.00 0.00 C ATOM 501 O GLY A 31 7.461 -11.303 5.333 1.00 0.00 O ATOM 0 H GLY A 31 6.272 -8.843 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.738 -8.473 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.701 -9.503 7.319 1.00 0.00 H new ATOM 505 N ASP A 32 9.344 -10.240 4.704 1.00 0.00 N ATOM 506 CA ASP A 32 9.765 -11.309 3.805 1.00 0.00 C ATOM 507 C ASP A 32 9.668 -12.664 4.499 1.00 0.00 C ATOM 508 O ASP A 32 10.111 -12.822 5.636 1.00 0.00 O ATOM 509 CB ASP A 32 11.205 -11.069 3.346 1.00 0.00 C ATOM 510 CG ASP A 32 11.983 -10.333 4.431 1.00 0.00 C ATOM 511 OD1 ASP A 32 12.758 -10.979 5.118 1.00 0.00 O ATOM 512 OD2 ASP A 32 11.794 -9.135 4.559 1.00 0.00 O ATOM 0 H ASP A 32 9.980 -9.443 4.744 1.00 0.00 H new ATOM 0 HA ASP A 32 9.104 -11.311 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.688 -12.021 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.209 -10.486 2.425 1.00 0.00 H new ATOM 517 N GLU A 33 9.085 -13.637 3.806 1.00 0.00 N ATOM 518 CA GLU A 33 8.935 -14.977 4.364 1.00 0.00 C ATOM 519 C GLU A 33 8.175 -14.928 5.684 1.00 0.00 C ATOM 520 O GLU A 33 8.665 -15.392 6.714 1.00 0.00 O ATOM 521 CB GLU A 33 10.310 -15.610 4.585 1.00 0.00 C ATOM 522 CG GLU A 33 11.030 -15.745 3.242 1.00 0.00 C ATOM 523 CD GLU A 33 11.744 -17.091 3.167 1.00 0.00 C ATOM 524 OE1 GLU A 33 12.185 -17.564 4.200 1.00 0.00 O ATOM 525 OE2 GLU A 33 11.838 -17.628 2.075 1.00 0.00 O ATOM 0 H GLU A 33 8.711 -13.525 2.864 1.00 0.00 H new ATOM 0 HA GLU A 33 8.368 -15.582 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.900 -14.996 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.201 -16.589 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.313 -15.658 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.749 -14.935 3.122 1.00 0.00 H new ATOM 532 N SER A 34 6.970 -14.373 5.641 1.00 0.00 N ATOM 533 CA SER A 34 6.138 -14.277 6.828 1.00 0.00 C ATOM 534 C SER A 34 4.685 -14.506 6.445 1.00 0.00 C ATOM 535 O SER A 34 4.077 -13.666 5.783 1.00 0.00 O ATOM 536 CB SER A 34 6.295 -12.902 7.477 1.00 0.00 C ATOM 537 OG SER A 34 5.609 -12.889 8.722 1.00 0.00 O ATOM 0 H SER A 34 6.550 -13.984 4.797 1.00 0.00 H new ATOM 0 HA SER A 34 6.450 -15.037 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.351 -12.677 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.895 -12.129 6.820 1.00 0.00 H new ATOM 0 HG SER A 34 5.709 -12.009 9.142 1.00 0.00 H new ATOM 543 N ARG A 35 4.151 -15.658 6.845 1.00 0.00 N ATOM 544 CA ARG A 35 2.774 -16.021 6.527 1.00 0.00 C ATOM 545 C ARG A 35 2.753 -16.989 5.350 1.00 0.00 C ATOM 546 O ARG A 35 1.713 -17.562 5.023 1.00 0.00 O ATOM 547 CB ARG A 35 1.951 -14.777 6.187 1.00 0.00 C ATOM 548 CG ARG A 35 0.465 -15.094 6.324 1.00 0.00 C ATOM 549 CD ARG A 35 -0.348 -13.931 5.759 1.00 0.00 C ATOM 550 NE ARG A 35 -1.738 -14.329 5.572 1.00 0.00 N ATOM 551 CZ ARG A 35 -2.153 -14.860 4.427 1.00 0.00 C ATOM 552 NH1 ARG A 35 -3.400 -15.220 4.288 1.00 0.00 N ATOM 553 NH2 ARG A 35 -1.314 -15.020 3.441 1.00 0.00 N ATOM 0 H ARG A 35 4.654 -16.357 7.392 1.00 0.00 H new ATOM 0 HA ARG A 35 2.333 -16.501 7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.221 -13.957 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.171 -14.449 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.226 -16.014 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.210 -15.257 7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.295 -13.078 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.077 -13.610 4.808 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.404 -14.197 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.056 -15.094 5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.718 -15.628 3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.340 -14.738 3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.632 -15.428 2.562 1.00 0.00 H new ATOM 567 N ILE A 36 3.913 -17.175 4.725 1.00 0.00 N ATOM 568 CA ILE A 36 4.025 -18.087 3.593 1.00 0.00 C ATOM 569 C ILE A 36 5.384 -18.779 3.605 1.00 0.00 C ATOM 570 O ILE A 36 5.491 -19.953 3.954 1.00 0.00 O ATOM 571 CB ILE A 36 3.857 -17.339 2.266 1.00 0.00 C ATOM 572 CG1 ILE A 36 2.997 -16.085 2.469 1.00 0.00 C ATOM 573 CG2 ILE A 36 3.178 -18.258 1.250 1.00 0.00 C ATOM 574 CD1 ILE A 36 1.540 -16.486 2.703 1.00 0.00 C ATOM 0 H ILE A 36 4.783 -16.709 4.982 1.00 0.00 H new ATOM 0 HA ILE A 36 3.232 -18.829 3.685 1.00 0.00 H new ATOM 0 HB ILE A 36 4.839 -17.041 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.367 -15.513 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.069 -15.438 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.057 -17.729 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.793 -19.144 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.200 -18.557 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.935 -15.591 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.171 -17.039 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.474 -17.115 3.591 1.00 0.00 H new ATOM 586 N GLN A 37 6.421 -18.044 3.225 1.00 0.00 N ATOM 587 CA GLN A 37 7.765 -18.605 3.195 1.00 0.00 C ATOM 588 C GLN A 37 7.886 -19.611 2.056 1.00 0.00 C ATOM 589 O GLN A 37 8.865 -19.606 1.310 1.00 0.00 O ATOM 590 CB GLN A 37 8.069 -19.299 4.526 1.00 0.00 C ATOM 591 CG GLN A 37 9.580 -19.488 4.689 1.00 0.00 C ATOM 592 CD GLN A 37 9.950 -20.949 4.455 1.00 0.00 C ATOM 593 OE1 GLN A 37 10.228 -21.680 5.406 1.00 0.00 O ATOM 594 NE2 GLN A 37 9.974 -21.420 3.239 1.00 0.00 N ATOM 0 H GLN A 37 6.359 -17.068 2.936 1.00 0.00 H new ATOM 0 HA GLN A 37 8.480 -17.798 3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.678 -18.705 5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.568 -20.266 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.113 -18.851 3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.888 -19.182 5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.743 -20.813 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.223 -22.395 3.075 1.00 0.00 H new ATOM 603 N GLU A 38 6.880 -20.471 1.928 1.00 0.00 N ATOM 604 CA GLU A 38 6.879 -21.478 0.874 1.00 0.00 C ATOM 605 C GLU A 38 5.452 -21.860 0.498 1.00 0.00 C ATOM 606 O GLU A 38 4.579 -21.973 1.358 1.00 0.00 O ATOM 607 CB GLU A 38 7.629 -22.725 1.335 1.00 0.00 C ATOM 608 CG GLU A 38 7.531 -23.805 0.256 1.00 0.00 C ATOM 609 CD GLU A 38 8.306 -25.045 0.684 1.00 0.00 C ATOM 610 OE1 GLU A 38 8.159 -26.065 0.033 1.00 0.00 O ATOM 611 OE2 GLU A 38 9.036 -24.956 1.658 1.00 0.00 O ATOM 0 H GLU A 38 6.061 -20.491 2.536 1.00 0.00 H new ATOM 0 HA GLU A 38 7.377 -21.056 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.674 -22.483 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.207 -23.091 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.486 -24.062 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.928 -23.426 -0.686 1.00 0.00 H new ATOM 618 N GLY A 39 5.229 -22.061 -0.793 1.00 0.00 N ATOM 619 CA GLY A 39 3.907 -22.433 -1.282 1.00 0.00 C ATOM 620 C GLY A 39 3.978 -22.946 -2.716 1.00 0.00 C ATOM 621 O GLY A 39 4.979 -22.754 -3.404 1.00 0.00 O ATOM 0 H GLY A 39 5.941 -21.974 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.480 -23.202 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.242 -21.571 -1.233 1.00 0.00 H new ATOM 625 N LYS A 40 2.907 -23.595 -3.165 1.00 0.00 N ATOM 626 CA LYS A 40 2.862 -24.123 -4.525 1.00 0.00 C ATOM 627 C LYS A 40 1.858 -23.336 -5.367 1.00 0.00 C ATOM 628 O LYS A 40 1.028 -22.606 -4.823 1.00 0.00 O ATOM 629 CB LYS A 40 2.467 -25.601 -4.506 1.00 0.00 C ATOM 630 CG LYS A 40 3.726 -26.467 -4.547 1.00 0.00 C ATOM 631 CD LYS A 40 4.466 -26.354 -3.213 1.00 0.00 C ATOM 632 CE LYS A 40 5.828 -27.039 -3.326 1.00 0.00 C ATOM 633 NZ LYS A 40 6.545 -26.522 -4.525 1.00 0.00 N ATOM 0 H LYS A 40 2.067 -23.767 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 40 3.854 -24.023 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.890 -25.822 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.829 -25.829 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.459 -27.506 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.374 -26.147 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.595 -25.306 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.879 -26.816 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.417 -26.852 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.699 -28.119 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.566 -26.491 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.364 -27.149 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.205 -25.564 -4.746 1.00 0.00 H new ATOM 647 N PRO A 41 1.910 -23.464 -6.671 1.00 0.00 N ATOM 648 CA PRO A 41 0.988 -22.751 -7.587 1.00 0.00 C ATOM 649 C PRO A 41 -0.189 -23.616 -8.028 1.00 0.00 C ATOM 650 O PRO A 41 -0.177 -24.837 -7.869 1.00 0.00 O ATOM 651 CB PRO A 41 1.896 -22.475 -8.772 1.00 0.00 C ATOM 652 CG PRO A 41 2.748 -23.701 -8.869 1.00 0.00 C ATOM 653 CD PRO A 41 2.857 -24.283 -7.446 1.00 0.00 C ATOM 0 HA PRO A 41 0.533 -21.873 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.323 -22.314 -9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.499 -21.581 -8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.304 -24.427 -9.550 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.734 -23.456 -9.263 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.589 -25.339 -7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.871 -24.203 -7.055 1.00 0.00 H new ATOM 661 N GLY A 42 -1.196 -22.965 -8.590 1.00 0.00 N ATOM 662 CA GLY A 42 -2.382 -23.662 -9.068 1.00 0.00 C ATOM 663 C GLY A 42 -3.178 -22.775 -10.020 1.00 0.00 C ATOM 664 O GLY A 42 -3.199 -21.553 -9.873 1.00 0.00 O ATOM 0 H GLY A 42 -1.216 -21.954 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.090 -24.581 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.007 -23.950 -8.223 1.00 0.00 H new ATOM 668 N PHE A 43 -3.837 -23.395 -10.992 1.00 0.00 N ATOM 669 CA PHE A 43 -4.635 -22.643 -11.954 1.00 0.00 C ATOM 670 C PHE A 43 -5.949 -22.204 -11.311 1.00 0.00 C ATOM 671 O PHE A 43 -6.642 -23.008 -10.687 1.00 0.00 O ATOM 672 CB PHE A 43 -4.922 -23.508 -13.184 1.00 0.00 C ATOM 673 CG PHE A 43 -3.638 -24.139 -13.669 1.00 0.00 C ATOM 674 CD1 PHE A 43 -2.687 -23.361 -14.344 1.00 0.00 C ATOM 675 CD2 PHE A 43 -3.397 -25.500 -13.446 1.00 0.00 C ATOM 676 CE1 PHE A 43 -1.497 -23.946 -14.794 1.00 0.00 C ATOM 677 CE2 PHE A 43 -2.206 -26.084 -13.897 1.00 0.00 C ATOM 678 CZ PHE A 43 -1.256 -25.307 -14.570 1.00 0.00 C ATOM 0 H PHE A 43 -3.836 -24.405 -11.135 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.077 -21.759 -12.263 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.648 -24.282 -12.936 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.362 -22.900 -13.975 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.872 -22.311 -14.517 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.129 -26.100 -12.926 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.764 -23.347 -15.314 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.021 -27.134 -13.725 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.337 -25.757 -14.916 1.00 0.00 H new ATOM 688 N PHE A 44 -6.284 -20.925 -11.457 1.00 0.00 N ATOM 689 CA PHE A 44 -7.513 -20.400 -10.875 1.00 0.00 C ATOM 690 C PHE A 44 -7.407 -20.371 -9.353 1.00 0.00 C ATOM 691 O PHE A 44 -8.382 -20.087 -8.657 1.00 0.00 O ATOM 692 CB PHE A 44 -8.705 -21.269 -11.282 1.00 0.00 C ATOM 693 CG PHE A 44 -8.458 -21.881 -12.640 1.00 0.00 C ATOM 694 CD1 PHE A 44 -7.688 -21.200 -13.593 1.00 0.00 C ATOM 695 CD2 PHE A 44 -9.006 -23.132 -12.950 1.00 0.00 C ATOM 696 CE1 PHE A 44 -7.468 -21.771 -14.852 1.00 0.00 C ATOM 697 CE2 PHE A 44 -8.785 -23.703 -14.208 1.00 0.00 C ATOM 698 CZ PHE A 44 -8.017 -23.023 -15.159 1.00 0.00 C ATOM 0 H PHE A 44 -5.727 -20.240 -11.968 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.662 -19.386 -11.246 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.862 -22.055 -10.543 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.613 -20.667 -11.305 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.265 -20.235 -13.356 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.600 -23.657 -12.217 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.875 -21.246 -15.587 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.207 -24.668 -14.445 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.847 -23.463 -16.130 1.00 0.00 H new ATOM 708 N LYS A 45 -6.217 -20.673 -8.845 1.00 0.00 N ATOM 709 CA LYS A 45 -5.993 -20.685 -7.402 1.00 0.00 C ATOM 710 C LYS A 45 -4.602 -21.221 -7.080 1.00 0.00 C ATOM 711 O LYS A 45 -4.015 -21.962 -7.866 1.00 0.00 O ATOM 712 CB LYS A 45 -7.039 -21.566 -6.719 1.00 0.00 C ATOM 713 CG LYS A 45 -7.187 -22.875 -7.500 1.00 0.00 C ATOM 714 CD LYS A 45 -7.880 -23.932 -6.632 1.00 0.00 C ATOM 715 CE LYS A 45 -9.371 -23.988 -6.977 1.00 0.00 C ATOM 716 NZ LYS A 45 -10.051 -22.775 -6.443 1.00 0.00 N ATOM 0 H LYS A 45 -5.398 -20.911 -9.405 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.076 -19.662 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.741 -21.774 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.996 -21.046 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.766 -22.702 -8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.206 -23.235 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.422 -24.908 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.750 -23.692 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.503 -24.046 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.820 -24.886 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.070 -22.960 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.657 -22.539 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.901 -21.978 -7.094 1.00 0.00 H new ATOM 730 N CYS A 46 -4.084 -20.850 -5.914 1.00 0.00 N ATOM 731 CA CYS A 46 -2.762 -21.308 -5.496 1.00 0.00 C ATOM 732 C CYS A 46 -2.755 -21.644 -4.010 1.00 0.00 C ATOM 733 O CYS A 46 -3.362 -20.942 -3.200 1.00 0.00 O ATOM 734 CB CYS A 46 -1.715 -20.228 -5.775 1.00 0.00 C ATOM 735 SG CYS A 46 -1.350 -20.182 -7.547 1.00 0.00 S ATOM 0 H CYS A 46 -4.554 -20.239 -5.246 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.519 -22.205 -6.065 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.082 -19.257 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.805 -20.434 -5.211 1.00 0.00 H new ATOM 740 N THR A 47 -2.059 -22.719 -3.658 1.00 0.00 N ATOM 741 CA THR A 47 -1.975 -23.135 -2.260 1.00 0.00 C ATOM 742 C THR A 47 -0.600 -22.806 -1.688 1.00 0.00 C ATOM 743 O THR A 47 0.422 -23.044 -2.330 1.00 0.00 O ATOM 744 CB THR A 47 -2.233 -24.640 -2.134 1.00 0.00 C ATOM 745 OG1 THR A 47 -1.401 -25.342 -3.047 1.00 0.00 O ATOM 746 CG2 THR A 47 -3.701 -24.937 -2.439 1.00 0.00 C ATOM 0 H THR A 47 -1.549 -23.314 -4.312 1.00 0.00 H new ATOM 0 HA THR A 47 -2.735 -22.593 -1.698 1.00 0.00 H new ATOM 0 HB THR A 47 -2.006 -24.963 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.565 -26.305 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.882 -26.008 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.335 -24.401 -1.733 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.934 -24.614 -3.453 1.00 0.00 H new ATOM 754 N CYS A 48 -0.583 -22.257 -0.478 1.00 0.00 N ATOM 755 CA CYS A 48 0.676 -21.898 0.166 1.00 0.00 C ATOM 756 C CYS A 48 0.649 -22.261 1.646 1.00 0.00 C ATOM 757 O CYS A 48 -0.418 -22.375 2.245 1.00 0.00 O ATOM 758 CB CYS A 48 0.931 -20.397 0.015 1.00 0.00 C ATOM 759 SG CYS A 48 0.091 -19.789 -1.468 1.00 0.00 S ATOM 0 H CYS A 48 -1.417 -22.052 0.072 1.00 0.00 H new ATOM 0 HA CYS A 48 1.478 -22.456 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.569 -19.865 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.002 -20.204 -0.056 1.00 0.00 H new ATOM 764 N TYR A 49 1.830 -22.429 2.232 1.00 0.00 N ATOM 765 CA TYR A 49 1.926 -22.768 3.647 1.00 0.00 C ATOM 766 C TYR A 49 2.821 -21.761 4.359 1.00 0.00 C ATOM 767 O TYR A 49 3.745 -21.220 3.758 1.00 0.00 O ATOM 768 CB TYR A 49 2.501 -24.177 3.815 1.00 0.00 C ATOM 769 CG TYR A 49 1.786 -25.129 2.885 1.00 0.00 C ATOM 770 CD1 TYR A 49 0.559 -25.687 3.261 1.00 0.00 C ATOM 771 CD2 TYR A 49 2.352 -25.455 1.646 1.00 0.00 C ATOM 772 CE1 TYR A 49 -0.103 -26.571 2.400 1.00 0.00 C ATOM 773 CE2 TYR A 49 1.691 -26.339 0.784 1.00 0.00 C ATOM 774 CZ TYR A 49 0.464 -26.897 1.162 1.00 0.00 C ATOM 775 OH TYR A 49 -0.188 -27.770 0.313 1.00 0.00 O ATOM 0 H TYR A 49 2.726 -22.337 1.754 1.00 0.00 H new ATOM 0 HA TYR A 49 0.928 -22.738 4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.569 -24.173 3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.387 -24.507 4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.122 -25.436 4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.299 -25.024 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.050 -27.001 2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.127 -26.590 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 49 0.340 -27.888 -0.504 1.00 0.00 H new ATOM 785 N PHE A 50 2.542 -21.507 5.634 1.00 0.00 N ATOM 786 CA PHE A 50 3.342 -20.552 6.395 1.00 0.00 C ATOM 787 C PHE A 50 4.364 -21.277 7.262 1.00 0.00 C ATOM 788 O PHE A 50 4.027 -21.830 8.308 1.00 0.00 O ATOM 789 CB PHE A 50 2.434 -19.691 7.279 1.00 0.00 C ATOM 790 CG PHE A 50 3.253 -18.941 8.310 1.00 0.00 C ATOM 791 CD1 PHE A 50 2.678 -18.616 9.544 1.00 0.00 C ATOM 792 CD2 PHE A 50 4.579 -18.566 8.039 1.00 0.00 C ATOM 793 CE1 PHE A 50 3.421 -17.920 10.505 1.00 0.00 C ATOM 794 CE2 PHE A 50 5.321 -17.870 9.000 1.00 0.00 C ATOM 795 CZ PHE A 50 4.742 -17.548 10.233 1.00 0.00 C ATOM 0 H PHE A 50 1.781 -21.941 6.156 1.00 0.00 H new ATOM 0 HA PHE A 50 3.872 -19.911 5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.880 -18.984 6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.699 -20.322 7.779 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.658 -18.903 9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.026 -18.815 7.088 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.975 -17.670 11.456 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.340 -17.581 8.790 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.315 -17.012 10.975 1.00 0.00 H new ATOM 805 N THR A 51 5.616 -21.274 6.815 1.00 0.00 N ATOM 806 CA THR A 51 6.686 -21.938 7.553 1.00 0.00 C ATOM 807 C THR A 51 6.888 -21.285 8.917 1.00 0.00 C ATOM 808 O THR A 51 7.438 -20.187 9.015 1.00 0.00 O ATOM 809 CB THR A 51 7.990 -21.868 6.756 1.00 0.00 C ATOM 810 OG1 THR A 51 7.823 -22.552 5.522 1.00 0.00 O ATOM 811 CG2 THR A 51 9.120 -22.522 7.554 1.00 0.00 C ATOM 0 H THR A 51 5.914 -20.822 5.950 1.00 0.00 H new ATOM 0 HA THR A 51 6.404 -22.980 7.702 1.00 0.00 H new ATOM 0 HB THR A 51 8.243 -20.825 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.697 -22.842 5.188 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.047 -22.470 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.248 -21.997 8.501 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.872 -23.565 7.748 1.00 0.00 H new ATOM 819 N THR A 52 6.445 -21.968 9.968 1.00 0.00 N ATOM 820 CA THR A 52 6.588 -21.446 11.323 1.00 0.00 C ATOM 821 C THR A 52 6.745 -22.585 12.323 1.00 0.00 C ATOM 822 O THR A 52 6.020 -23.579 12.266 1.00 0.00 O ATOM 823 CB THR A 52 5.364 -20.607 11.696 1.00 0.00 C ATOM 824 OG1 THR A 52 5.214 -20.595 13.109 1.00 0.00 O ATOM 825 CG2 THR A 52 4.114 -21.208 11.054 1.00 0.00 C ATOM 0 H THR A 52 5.987 -22.878 9.909 1.00 0.00 H new ATOM 0 HA THR A 52 7.480 -20.821 11.355 1.00 0.00 H new ATOM 0 HB THR A 52 5.499 -19.587 11.335 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.431 -20.057 13.350 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.244 -20.609 11.321 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.230 -21.216 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.976 -22.228 11.412 1.00 0.00 H new ATOM 833 N GLY A 53 7.696 -22.435 13.238 1.00 0.00 N ATOM 834 CA GLY A 53 7.940 -23.458 14.248 1.00 0.00 C ATOM 835 C GLY A 53 9.293 -24.125 14.031 1.00 0.00 C ATOM 836 O GLY A 53 10.049 -24.211 14.985 1.00 0.00 O ATOM 837 OXT GLY A 53 9.554 -24.541 12.914 1.00 0.00 O ATOM 0 H GLY A 53 8.307 -21.621 13.301 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.906 -23.010 15.241 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.150 -24.208 14.210 1.00 0.00 H new TER 841 GLY A 53