USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 22:sc= 0.206 USER MOD Single : A 6 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.22) USER MOD Single : A 7 GLN : amide:sc= -0.255 K(o=-0.25,f=-1.7) USER MOD Single : A 10 THR OG1 : rot -133:sc= 0.0453 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.01) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 167:sc= -1.43! USER MOD Single : A 20 SER OG : rot -6:sc= -0.698! USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 0.874 (180deg=0.819) USER MOD Single : A 25 ASN : amide:sc= -0.0938 K(o=-0.094,f=-8!) USER MOD Single : A 26 HIS : no HD1:sc= -6.88! C(o=-6.9!,f=-6.4!) USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0738 K(o=-0.074,f=-0.98) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00834 USER MOD Single : A 34 SER OG : rot 40:sc= 0.404 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 162:sc= -6.32! (180deg=-6.96!) USER MOD Single : A 38 GLN : amide:sc= -0.0139 K(o=-0.014,f=-0.96) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.288 F(o=-3.8!,f=-0.29) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0424 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.11) USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= -0.0272 (180deg=-1.04) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc=-0.00883 K(o=-0.0088,f=-0.83) USER MOD Single : A 62 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-5.7!) USER MOD Single : A 64 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-5.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -20.224 5.309 0.948 1.00 0.00 N ATOM 2 CA SER A 5 -19.437 4.682 -0.105 1.00 0.00 C ATOM 3 C SER A 5 -17.949 4.904 0.148 1.00 0.00 C ATOM 4 O SER A 5 -17.184 5.251 -0.754 1.00 0.00 O ATOM 5 CB SER A 5 -19.847 5.257 -1.460 1.00 0.00 C ATOM 6 OG SER A 5 -21.256 5.212 -1.612 1.00 0.00 O ATOM 0 HA SER A 5 -19.625 3.608 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.499 6.286 -1.545 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.371 4.692 -2.261 1.00 0.00 H new ATOM 0 HG SER A 5 -21.679 5.157 -0.730 1.00 0.00 H new ATOM 12 N GLN A 6 -17.545 4.706 1.392 1.00 0.00 N ATOM 13 CA GLN A 6 -16.175 4.944 1.796 1.00 0.00 C ATOM 14 C GLN A 6 -15.387 3.648 1.820 1.00 0.00 C ATOM 15 O GLN A 6 -15.217 3.027 2.867 1.00 0.00 O ATOM 16 CB GLN A 6 -16.125 5.624 3.163 1.00 0.00 C ATOM 17 CG GLN A 6 -16.662 7.046 3.151 1.00 0.00 C ATOM 18 CD GLN A 6 -15.879 7.957 2.224 1.00 0.00 C ATOM 19 OE1 GLN A 6 -14.898 8.582 2.629 1.00 0.00 O ATOM 20 NE2 GLN A 6 -16.310 8.044 0.975 1.00 0.00 N ATOM 0 H GLN A 6 -18.154 4.379 2.142 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.718 5.609 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.700 5.033 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.094 5.636 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.708 7.033 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.632 7.450 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.127 7.510 0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.825 8.645 0.309 1.00 0.00 H new ATOM 29 N GLN A 7 -14.951 3.227 0.648 1.00 0.00 N ATOM 30 CA GLN A 7 -14.025 2.114 0.532 1.00 0.00 C ATOM 31 C GLN A 7 -12.813 2.552 -0.274 1.00 0.00 C ATOM 32 O GLN A 7 -11.674 2.245 0.072 1.00 0.00 O ATOM 33 CB GLN A 7 -14.687 0.913 -0.129 1.00 0.00 C ATOM 34 CG GLN A 7 -13.976 -0.376 0.173 1.00 0.00 C ATOM 35 CD GLN A 7 -14.171 -0.829 1.594 1.00 0.00 C ATOM 36 OE1 GLN A 7 -13.428 -0.446 2.497 1.00 0.00 O ATOM 37 NE2 GLN A 7 -15.151 -1.674 1.797 1.00 0.00 N ATOM 0 H GLN A 7 -15.225 3.641 -0.243 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.714 1.814 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.721 0.841 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.713 1.065 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.336 -1.151 -0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.911 -0.252 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.743 -1.965 1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.322 -2.041 2.733 1.00 0.00 H new ATOM 46 N ILE A 8 -13.079 3.307 -1.336 1.00 0.00 N ATOM 47 CA ILE A 8 -12.035 3.860 -2.198 1.00 0.00 C ATOM 48 C ILE A 8 -11.046 4.700 -1.395 1.00 0.00 C ATOM 49 O ILE A 8 -9.876 4.838 -1.752 1.00 0.00 O ATOM 50 CB ILE A 8 -12.651 4.735 -3.310 1.00 0.00 C ATOM 51 CG1 ILE A 8 -13.760 3.974 -4.027 1.00 0.00 C ATOM 52 CG2 ILE A 8 -11.588 5.181 -4.304 1.00 0.00 C ATOM 53 CD1 ILE A 8 -15.142 4.556 -3.802 1.00 0.00 C ATOM 0 H ILE A 8 -14.026 3.554 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.506 3.019 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.077 5.625 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.549 3.964 -5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.753 2.937 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.048 5.796 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.825 5.761 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.128 4.305 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.879 3.962 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.374 4.541 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.167 5.584 -4.164 1.00 0.00 H new ATOM 65 N ALA A 9 -11.533 5.249 -0.302 1.00 0.00 N ATOM 66 CA ALA A 9 -10.722 6.096 0.550 1.00 0.00 C ATOM 67 C ALA A 9 -10.067 5.293 1.659 1.00 0.00 C ATOM 68 O ALA A 9 -8.858 5.144 1.692 1.00 0.00 O ATOM 69 CB ALA A 9 -11.562 7.222 1.132 1.00 0.00 C ATOM 0 H ALA A 9 -12.493 5.123 0.020 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.931 6.530 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.939 7.849 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.974 7.824 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.376 6.801 1.722 1.00 0.00 H new ATOM 75 N THR A 10 -10.888 4.757 2.536 1.00 0.00 N ATOM 76 CA THR A 10 -10.433 4.077 3.740 1.00 0.00 C ATOM 77 C THR A 10 -9.631 2.807 3.471 1.00 0.00 C ATOM 78 O THR A 10 -8.620 2.576 4.126 1.00 0.00 O ATOM 79 CB THR A 10 -11.624 3.751 4.630 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.719 3.326 3.815 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.020 4.970 5.445 1.00 0.00 C ATOM 0 H THR A 10 -11.903 4.779 2.436 1.00 0.00 H new ATOM 0 HA THR A 10 -9.754 4.768 4.239 1.00 0.00 H new ATOM 0 HB THR A 10 -11.352 2.950 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.536 3.785 4.100 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.873 4.724 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.182 5.278 6.070 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.290 5.785 4.773 1.00 0.00 H new ATOM 89 N ALA A 11 -10.065 1.977 2.524 1.00 0.00 N ATOM 90 CA ALA A 11 -9.327 0.754 2.221 1.00 0.00 C ATOM 91 C ALA A 11 -7.963 1.104 1.652 1.00 0.00 C ATOM 92 O ALA A 11 -6.968 0.433 1.924 1.00 0.00 O ATOM 93 CB ALA A 11 -10.098 -0.146 1.267 1.00 0.00 C ATOM 0 H ALA A 11 -10.905 2.124 1.965 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.194 0.197 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.517 -1.046 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.051 -0.423 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.280 0.385 0.333 1.00 0.00 H new ATOM 99 N LYS A 12 -7.920 2.181 0.879 1.00 0.00 N ATOM 100 CA LYS A 12 -6.662 2.689 0.364 1.00 0.00 C ATOM 101 C LYS A 12 -5.860 3.328 1.485 1.00 0.00 C ATOM 102 O LYS A 12 -4.681 3.048 1.651 1.00 0.00 O ATOM 103 CB LYS A 12 -6.900 3.708 -0.752 1.00 0.00 C ATOM 104 CG LYS A 12 -5.614 4.321 -1.278 1.00 0.00 C ATOM 105 CD LYS A 12 -5.836 5.115 -2.551 1.00 0.00 C ATOM 106 CE LYS A 12 -4.560 5.821 -2.976 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.290 7.023 -2.144 1.00 0.00 N ATOM 0 H LYS A 12 -8.741 2.716 0.597 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.100 1.852 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.428 3.223 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.549 4.501 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.186 4.972 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.888 3.531 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.171 4.449 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.628 5.848 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.720 5.130 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.638 6.114 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.369 7.428 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.037 7.729 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.274 6.754 -1.140 1.00 0.00 H new ATOM 121 N ASP A 13 -6.526 4.180 2.247 1.00 0.00 N ATOM 122 CA ASP A 13 -5.915 4.881 3.375 1.00 0.00 C ATOM 123 C ASP A 13 -5.276 3.904 4.357 1.00 0.00 C ATOM 124 O ASP A 13 -4.137 4.096 4.791 1.00 0.00 O ATOM 125 CB ASP A 13 -6.958 5.740 4.102 1.00 0.00 C ATOM 126 CG ASP A 13 -6.338 6.545 5.226 1.00 0.00 C ATOM 127 OD1 ASP A 13 -5.712 7.589 4.935 1.00 0.00 O ATOM 128 OD2 ASP A 13 -6.463 6.141 6.400 1.00 0.00 O ATOM 0 H ASP A 13 -7.510 4.409 2.104 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.133 5.527 2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.433 6.415 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.742 5.098 4.504 1.00 0.00 H new ATOM 133 N LYS A 14 -6.017 2.863 4.710 1.00 0.00 N ATOM 134 CA LYS A 14 -5.514 1.809 5.562 1.00 0.00 C ATOM 135 C LYS A 14 -4.301 1.157 4.920 1.00 0.00 C ATOM 136 O LYS A 14 -3.260 1.022 5.553 1.00 0.00 O ATOM 137 CB LYS A 14 -6.616 0.780 5.783 1.00 0.00 C ATOM 138 CG LYS A 14 -6.349 -0.186 6.917 1.00 0.00 C ATOM 139 CD LYS A 14 -7.563 -1.065 7.156 1.00 0.00 C ATOM 140 CE LYS A 14 -7.415 -1.926 8.395 1.00 0.00 C ATOM 141 NZ LYS A 14 -8.567 -2.850 8.549 1.00 0.00 N ATOM 0 H LYS A 14 -6.983 2.731 4.411 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.212 2.225 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.551 1.304 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.756 0.212 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.484 -0.805 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.107 0.366 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.449 -0.438 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.722 -1.705 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.491 -2.500 8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.336 -1.289 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.438 -3.426 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.445 -2.299 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.626 -3.473 7.718 1.00 0.00 H new ATOM 155 N TYR A 15 -4.435 0.785 3.650 1.00 0.00 N ATOM 156 CA TYR A 15 -3.338 0.169 2.913 1.00 0.00 C ATOM 157 C TYR A 15 -2.128 1.092 2.869 1.00 0.00 C ATOM 158 O TYR A 15 -0.984 0.644 2.930 1.00 0.00 O ATOM 159 CB TYR A 15 -3.757 -0.175 1.486 1.00 0.00 C ATOM 160 CG TYR A 15 -2.598 -0.673 0.662 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.168 -1.983 0.783 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.909 0.172 -0.206 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.092 -2.449 0.063 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.825 -0.288 -0.927 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.423 -1.599 -0.787 1.00 0.00 C ATOM 166 OH TYR A 15 0.658 -2.059 -1.492 1.00 0.00 O ATOM 0 H TYR A 15 -5.293 0.900 3.111 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.073 -0.749 3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.538 -0.935 1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.187 0.707 1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.686 -2.651 1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.227 1.198 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.774 -3.476 0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.296 0.375 -1.596 1.00 0.00 H new ATOM 0 HH TYR A 15 0.895 -1.411 -2.188 1.00 0.00 H new ATOM 176 N GLU A 16 -2.384 2.380 2.749 1.00 0.00 N ATOM 177 CA GLU A 16 -1.349 3.361 2.743 1.00 0.00 C ATOM 178 C GLU A 16 -0.619 3.367 4.076 1.00 0.00 C ATOM 179 O GLU A 16 0.585 3.636 4.132 1.00 0.00 O ATOM 180 CB GLU A 16 -1.973 4.702 2.423 1.00 0.00 C ATOM 181 CG GLU A 16 -2.169 4.928 0.940 1.00 0.00 C ATOM 182 CD GLU A 16 -2.450 6.373 0.601 1.00 0.00 C ATOM 183 OE1 GLU A 16 -1.484 7.160 0.494 1.00 0.00 O ATOM 184 OE2 GLU A 16 -3.633 6.730 0.421 1.00 0.00 O ATOM 0 H GLU A 16 -3.324 2.764 2.653 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.602 3.132 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.937 4.776 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.342 5.495 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.277 4.601 0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.995 4.310 0.589 1.00 0.00 H new ATOM 191 N TRP A 17 -1.327 3.019 5.150 1.00 0.00 N ATOM 192 CA TRP A 17 -0.664 2.798 6.409 1.00 0.00 C ATOM 193 C TRP A 17 0.095 1.506 6.340 1.00 0.00 C ATOM 194 O TRP A 17 1.193 1.426 6.843 1.00 0.00 O ATOM 195 CB TRP A 17 -1.621 2.731 7.589 1.00 0.00 C ATOM 196 CG TRP A 17 -1.066 1.947 8.736 1.00 0.00 C ATOM 197 CD1 TRP A 17 0.016 2.229 9.476 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.565 0.728 9.227 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.203 1.270 10.436 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.771 0.335 10.303 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.614 -0.047 8.852 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -1.020 -0.823 11.019 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -2.875 -1.205 9.550 1.00 0.00 C ATOM 204 CH2 TRP A 17 -2.077 -1.577 10.632 1.00 0.00 C ATOM 0 H TRP A 17 -2.339 2.889 5.163 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.003 3.649 6.572 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.852 3.743 7.923 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.559 2.280 7.266 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.651 3.091 9.335 1.00 0.00 H new ATOM 0 HE1 TRP A 17 0.948 1.260 11.133 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.236 0.241 8.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.397 -1.114 11.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.705 -1.831 9.257 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.306 -2.484 11.172 1.00 0.00 H new ATOM 215 N LEU A 18 -0.496 0.490 5.727 1.00 0.00 N ATOM 216 CA LEU A 18 0.157 -0.802 5.651 1.00 0.00 C ATOM 217 C LEU A 18 1.562 -0.617 5.091 1.00 0.00 C ATOM 218 O LEU A 18 2.540 -1.134 5.629 1.00 0.00 O ATOM 219 CB LEU A 18 -0.624 -1.796 4.766 1.00 0.00 C ATOM 220 CG LEU A 18 -1.710 -2.622 5.465 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.083 -3.664 6.378 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.619 -1.718 6.256 1.00 0.00 C ATOM 0 H LEU A 18 -1.413 0.536 5.282 1.00 0.00 H new ATOM 0 HA LEU A 18 0.196 -1.219 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.089 -1.238 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.090 -2.484 4.313 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.297 -3.137 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.869 -4.241 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.454 -4.332 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.475 -3.167 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.387 -2.315 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.037 -1.184 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.092 -1.000 5.585 1.00 0.00 H new ATOM 234 N VAL A 19 1.645 0.155 4.016 1.00 0.00 N ATOM 235 CA VAL A 19 2.933 0.556 3.463 1.00 0.00 C ATOM 236 C VAL A 19 3.771 1.291 4.499 1.00 0.00 C ATOM 237 O VAL A 19 4.926 0.957 4.697 1.00 0.00 O ATOM 238 CB VAL A 19 2.797 1.446 2.207 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.159 1.963 1.766 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.159 0.674 1.073 1.00 0.00 C ATOM 0 H VAL A 19 0.837 0.516 3.509 1.00 0.00 H new ATOM 0 HA VAL A 19 3.430 -0.369 3.171 1.00 0.00 H new ATOM 0 HB VAL A 19 2.161 2.293 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.042 2.587 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.602 2.552 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.810 1.120 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.072 1.318 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.777 -0.190 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.168 0.337 1.375 1.00 0.00 H new ATOM 250 N SER A 20 3.191 2.277 5.169 1.00 0.00 N ATOM 251 CA SER A 20 3.936 3.060 6.149 1.00 0.00 C ATOM 252 C SER A 20 4.285 2.228 7.382 1.00 0.00 C ATOM 253 O SER A 20 5.191 2.574 8.134 1.00 0.00 O ATOM 254 CB SER A 20 3.142 4.305 6.560 1.00 0.00 C ATOM 255 OG SER A 20 1.965 3.969 7.275 1.00 0.00 O ATOM 0 H SER A 20 2.216 2.553 5.055 1.00 0.00 H new ATOM 0 HA SER A 20 4.868 3.373 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.770 4.949 7.176 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.876 4.876 5.670 1.00 0.00 H new ATOM 0 HG SER A 20 1.846 2.996 7.270 1.00 0.00 H new ATOM 261 N ARG A 21 3.562 1.134 7.583 1.00 0.00 N ATOM 262 CA ARG A 21 3.738 0.306 8.734 1.00 0.00 C ATOM 263 C ARG A 21 4.871 -0.685 8.493 1.00 0.00 C ATOM 264 O ARG A 21 5.526 -1.146 9.425 1.00 0.00 O ATOM 265 CB ARG A 21 2.417 -0.394 9.075 1.00 0.00 C ATOM 266 CG ARG A 21 2.388 -1.807 8.630 1.00 0.00 C ATOM 267 CD ARG A 21 1.180 -2.559 9.159 1.00 0.00 C ATOM 268 NE ARG A 21 1.304 -4.006 8.977 1.00 0.00 N ATOM 269 CZ ARG A 21 0.880 -4.903 9.869 1.00 0.00 C ATOM 270 NH1 ARG A 21 0.283 -4.506 10.986 1.00 0.00 N ATOM 271 NH2 ARG A 21 1.052 -6.199 9.648 1.00 0.00 N ATOM 0 H ARG A 21 2.839 0.808 6.941 1.00 0.00 H new ATOM 0 HA ARG A 21 4.018 0.916 9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.256 -0.353 10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.593 0.147 8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.385 -1.841 7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.298 -2.308 8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.052 -2.338 10.219 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.283 -2.206 8.649 1.00 0.00 H new ATOM 0 HE ARG A 21 1.739 -4.348 8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.147 -3.511 11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.039 -5.196 11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.510 -6.514 8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.726 -6.881 10.333 1.00 0.00 H new ATOM 285 N ILE A 22 5.110 -0.984 7.228 1.00 0.00 N ATOM 286 CA ILE A 22 6.202 -1.863 6.846 1.00 0.00 C ATOM 287 C ILE A 22 7.359 -1.045 6.286 1.00 0.00 C ATOM 288 O ILE A 22 8.456 -1.012 6.847 1.00 0.00 O ATOM 289 CB ILE A 22 5.753 -2.877 5.791 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.409 -3.473 6.185 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.791 -3.972 5.651 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.486 -4.720 7.044 1.00 0.00 C ATOM 0 H ILE A 22 4.560 -0.630 6.445 1.00 0.00 H new ATOM 0 HA ILE A 22 6.523 -2.401 7.738 1.00 0.00 H new ATOM 0 HB ILE A 22 5.646 -2.371 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.836 -2.716 6.721 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.854 -3.709 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.464 -4.689 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.742 -3.535 5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.915 -4.480 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.478 -5.068 7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.026 -5.499 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.009 -4.490 7.973 1.00 0.00 H new ATOM 304 N VAL A 23 7.090 -0.382 5.171 1.00 0.00 N ATOM 305 CA VAL A 23 8.048 0.474 4.504 1.00 0.00 C ATOM 306 C VAL A 23 8.232 1.797 5.246 1.00 0.00 C ATOM 307 O VAL A 23 7.383 2.688 5.172 1.00 0.00 O ATOM 308 CB VAL A 23 7.552 0.755 3.084 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.591 1.525 2.300 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.192 -0.542 2.388 1.00 0.00 C ATOM 0 H VAL A 23 6.186 -0.427 4.701 1.00 0.00 H new ATOM 0 HA VAL A 23 9.011 -0.036 4.484 1.00 0.00 H new ATOM 0 HB VAL A 23 6.654 1.371 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.220 1.715 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.793 2.474 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.510 0.942 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.841 -0.328 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.071 -1.184 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.405 -1.048 2.947 1.00 0.00 H new ATOM 320 N LYS A 24 9.348 1.916 5.955 1.00 0.00 N ATOM 321 CA LYS A 24 9.666 3.133 6.694 1.00 0.00 C ATOM 322 C LYS A 24 10.641 4.014 5.923 1.00 0.00 C ATOM 323 O LYS A 24 10.323 5.129 5.525 1.00 0.00 O ATOM 324 CB LYS A 24 10.291 2.791 8.029 1.00 0.00 C ATOM 325 CG LYS A 24 9.380 2.103 8.968 1.00 0.00 C ATOM 326 CD LYS A 24 8.164 2.923 9.246 1.00 0.00 C ATOM 327 CE LYS A 24 7.318 2.233 10.281 1.00 0.00 C ATOM 328 NZ LYS A 24 6.142 3.044 10.705 1.00 0.00 N ATOM 0 H LYS A 24 10.051 1.181 6.034 1.00 0.00 H new ATOM 0 HA LYS A 24 8.730 3.673 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.163 2.159 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.649 3.709 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.084 1.140 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.904 1.898 9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.453 3.913 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.592 3.066 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.971 1.280 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.932 2.009 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.674 2.582 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.459 3.994 10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.471 3.122 9.914 1.00 0.00 H new ATOM 342 N ASN A 25 11.842 3.486 5.729 1.00 0.00 N ATOM 343 CA ASN A 25 12.950 4.234 5.120 1.00 0.00 C ATOM 344 C ASN A 25 12.958 4.147 3.586 1.00 0.00 C ATOM 345 O ASN A 25 13.923 4.555 2.948 1.00 0.00 O ATOM 346 CB ASN A 25 14.279 3.710 5.679 1.00 0.00 C ATOM 347 CG ASN A 25 14.434 2.210 5.492 1.00 0.00 C ATOM 348 OD1 ASN A 25 13.920 1.634 4.533 1.00 0.00 O ATOM 349 ND2 ASN A 25 15.124 1.561 6.413 1.00 0.00 N ATOM 0 H ASN A 25 12.082 2.529 5.987 1.00 0.00 H new ATOM 0 HA ASN A 25 12.814 5.285 5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 25 15.105 4.222 5.186 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.344 3.950 6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.244 0.551 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.536 2.070 7.195 1.00 0.00 H new ATOM 356 N HIS A 26 11.877 3.608 3.022 1.00 0.00 N ATOM 357 CA HIS A 26 11.701 3.398 1.569 1.00 0.00 C ATOM 358 C HIS A 26 12.718 2.421 0.962 1.00 0.00 C ATOM 359 O HIS A 26 12.550 2.001 -0.180 1.00 0.00 O ATOM 360 CB HIS A 26 11.702 4.727 0.767 1.00 0.00 C ATOM 361 CG HIS A 26 13.033 5.209 0.270 1.00 0.00 C ATOM 362 ND1 HIS A 26 13.515 6.442 0.590 1.00 0.00 N ATOM 363 CD2 HIS A 26 13.974 4.633 -0.524 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.705 6.607 0.032 1.00 0.00 C ATOM 365 NE2 HIS A 26 14.997 5.525 -0.652 1.00 0.00 N ATOM 0 H HIS A 26 11.075 3.295 3.569 1.00 0.00 H new ATOM 0 HA HIS A 26 10.715 2.942 1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.040 4.608 -0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.271 5.505 1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.921 3.651 -0.971 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.329 7.483 0.124 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.850 5.376 -1.191 1.00 0.00 H new ATOM 374 N ASN A 27 13.754 2.057 1.709 1.00 0.00 N ATOM 375 CA ASN A 27 14.865 1.280 1.159 1.00 0.00 C ATOM 376 C ASN A 27 14.433 -0.150 0.859 1.00 0.00 C ATOM 377 O ASN A 27 15.206 -0.960 0.344 1.00 0.00 O ATOM 378 CB ASN A 27 16.044 1.263 2.131 1.00 0.00 C ATOM 379 CG ASN A 27 16.611 2.618 2.476 1.00 0.00 C ATOM 380 OD1 ASN A 27 16.523 3.573 1.579 1.00 0.00 O flip ATOM 381 ND2 ASN A 27 17.136 2.808 3.576 1.00 0.00 N flip ATOM 0 H ASN A 27 13.850 2.286 2.698 1.00 0.00 H new ATOM 0 HA ASN A 27 15.175 1.757 0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.728 0.774 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.839 0.653 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.190 2.047 4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.516 3.726 3.808 1.00 0.00 H new ATOM 388 N GLU A 28 13.194 -0.444 1.205 1.00 0.00 N ATOM 389 CA GLU A 28 12.582 -1.732 0.938 1.00 0.00 C ATOM 390 C GLU A 28 12.378 -1.956 -0.555 1.00 0.00 C ATOM 391 O GLU A 28 12.641 -1.080 -1.381 1.00 0.00 O ATOM 392 CB GLU A 28 11.225 -1.810 1.631 1.00 0.00 C ATOM 393 CG GLU A 28 11.288 -1.681 3.142 1.00 0.00 C ATOM 394 CD GLU A 28 12.168 -2.728 3.792 1.00 0.00 C ATOM 395 OE1 GLU A 28 12.334 -3.822 3.213 1.00 0.00 O ATOM 396 OE2 GLU A 28 12.678 -2.468 4.902 1.00 0.00 O ATOM 0 H GLU A 28 12.577 0.212 1.685 1.00 0.00 H new ATOM 0 HA GLU A 28 13.253 -2.502 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.583 -1.022 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.755 -2.760 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.661 -0.690 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.280 -1.758 3.550 1.00 0.00 H new ATOM 403 N ASN A 29 11.883 -3.134 -0.886 1.00 0.00 N ATOM 404 CA ASN A 29 11.541 -3.467 -2.259 1.00 0.00 C ATOM 405 C ASN A 29 10.139 -4.053 -2.293 1.00 0.00 C ATOM 406 O ASN A 29 9.859 -5.016 -1.578 1.00 0.00 O ATOM 407 CB ASN A 29 12.535 -4.469 -2.850 1.00 0.00 C ATOM 408 CG ASN A 29 12.354 -4.630 -4.347 1.00 0.00 C ATOM 409 OD1 ASN A 29 11.524 -5.416 -4.807 1.00 0.00 O ATOM 410 ND2 ASN A 29 13.143 -3.900 -5.120 1.00 0.00 N ATOM 0 H ASN A 29 11.707 -3.883 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 29 11.583 -2.558 -2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.552 -4.137 -2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.408 -5.436 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.076 -3.977 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.818 -3.260 -4.701 1.00 0.00 H new ATOM 417 N TRP A 30 9.279 -3.466 -3.131 1.00 0.00 N ATOM 418 CA TRP A 30 7.844 -3.781 -3.181 1.00 0.00 C ATOM 419 C TRP A 30 7.516 -5.257 -2.988 1.00 0.00 C ATOM 420 O TRP A 30 6.680 -5.599 -2.160 1.00 0.00 O ATOM 421 CB TRP A 30 7.255 -3.303 -4.495 1.00 0.00 C ATOM 422 CG TRP A 30 5.976 -3.967 -4.809 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.758 -4.786 -5.842 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.769 -3.912 -4.058 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.455 -5.217 -5.843 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.825 -4.696 -4.742 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.393 -3.264 -2.884 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.518 -4.846 -4.291 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.108 -3.415 -2.434 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.177 -4.197 -3.134 1.00 0.00 C ATOM 0 H TRP A 30 9.560 -2.751 -3.802 1.00 0.00 H new ATOM 0 HA TRP A 30 7.398 -3.256 -2.337 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.101 -2.225 -4.451 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.966 -3.491 -5.299 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.502 -5.069 -6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.028 -5.822 -6.544 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.100 -2.655 -2.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.802 -5.449 -4.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.805 -2.922 -1.522 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.171 -4.289 -2.753 1.00 0.00 H new ATOM 441 N LEU A 31 8.146 -6.118 -3.747 1.00 0.00 N ATOM 442 CA LEU A 31 7.811 -7.519 -3.728 1.00 0.00 C ATOM 443 C LEU A 31 7.982 -8.100 -2.332 1.00 0.00 C ATOM 444 O LEU A 31 7.062 -8.681 -1.778 1.00 0.00 O ATOM 445 CB LEU A 31 8.682 -8.236 -4.735 1.00 0.00 C ATOM 446 CG LEU A 31 8.396 -7.895 -6.196 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.921 -8.051 -6.516 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.887 -6.506 -6.588 1.00 0.00 C ATOM 0 H LEU A 31 8.899 -5.871 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 31 6.764 -7.652 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.725 -8.003 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.560 -9.310 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 31 8.962 -8.610 -6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.747 -7.802 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.616 -9.081 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.338 -7.382 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.656 -6.321 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.392 -5.757 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.965 -6.445 -6.438 1.00 0.00 H new ATOM 460 N SER A 32 9.153 -7.909 -1.765 1.00 0.00 N ATOM 461 CA SER A 32 9.430 -8.326 -0.396 1.00 0.00 C ATOM 462 C SER A 32 8.455 -7.709 0.621 1.00 0.00 C ATOM 463 O SER A 32 8.070 -8.363 1.592 1.00 0.00 O ATOM 464 CB SER A 32 10.843 -7.931 -0.034 1.00 0.00 C ATOM 465 OG SER A 32 11.740 -8.248 -1.084 1.00 0.00 O ATOM 0 H SER A 32 9.942 -7.462 -2.233 1.00 0.00 H new ATOM 0 HA SER A 32 9.303 -9.408 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.884 -6.862 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.147 -8.446 0.877 1.00 0.00 H new ATOM 0 HG SER A 32 12.648 -7.982 -0.830 1.00 0.00 H new ATOM 471 N VAL A 33 8.056 -6.456 0.419 1.00 0.00 N ATOM 472 CA VAL A 33 7.140 -5.818 1.348 1.00 0.00 C ATOM 473 C VAL A 33 5.714 -6.300 1.127 1.00 0.00 C ATOM 474 O VAL A 33 4.926 -6.315 2.058 1.00 0.00 O ATOM 475 CB VAL A 33 7.212 -4.270 1.308 1.00 0.00 C ATOM 476 CG1 VAL A 33 8.197 -3.761 2.340 1.00 0.00 C ATOM 477 CG2 VAL A 33 7.620 -3.776 -0.041 1.00 0.00 C ATOM 0 H VAL A 33 8.349 -5.874 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 33 7.460 -6.117 2.346 1.00 0.00 H new ATOM 0 HB VAL A 33 6.214 -3.893 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.236 -2.672 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.878 -4.076 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.186 -4.168 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.660 -2.687 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.603 -4.173 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.895 -4.107 -0.784 1.00 0.00 H new ATOM 487 N SER A 34 5.396 -6.735 -0.090 1.00 0.00 N ATOM 488 CA SER A 34 4.097 -7.341 -0.361 1.00 0.00 C ATOM 489 C SER A 34 4.062 -8.780 0.169 1.00 0.00 C ATOM 490 O SER A 34 3.003 -9.288 0.509 1.00 0.00 O ATOM 491 CB SER A 34 3.761 -7.283 -1.860 1.00 0.00 C ATOM 492 OG SER A 34 4.902 -7.483 -2.662 1.00 0.00 O ATOM 0 H SER A 34 6.016 -6.679 -0.898 1.00 0.00 H new ATOM 0 HA SER A 34 3.331 -6.769 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.015 -8.042 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.317 -6.316 -2.095 1.00 0.00 H new ATOM 0 HG SER A 34 5.458 -8.188 -2.270 1.00 0.00 H new ATOM 498 N ARG A 35 5.228 -9.428 0.237 1.00 0.00 N ATOM 499 CA ARG A 35 5.394 -10.670 0.955 1.00 0.00 C ATOM 500 C ARG A 35 4.906 -10.514 2.372 1.00 0.00 C ATOM 501 O ARG A 35 4.075 -11.265 2.875 1.00 0.00 O ATOM 502 CB ARG A 35 6.866 -10.964 0.989 1.00 0.00 C ATOM 503 CG ARG A 35 7.462 -11.073 -0.357 1.00 0.00 C ATOM 504 CD ARG A 35 6.940 -12.282 -1.066 1.00 0.00 C ATOM 505 NE ARG A 35 7.418 -12.366 -2.444 1.00 0.00 N ATOM 506 CZ ARG A 35 8.361 -13.208 -2.870 1.00 0.00 C ATOM 507 NH1 ARG A 35 8.984 -14.013 -2.016 1.00 0.00 N ATOM 508 NH2 ARG A 35 8.693 -13.227 -4.157 1.00 0.00 N ATOM 0 H ARG A 35 6.081 -9.094 -0.211 1.00 0.00 H new ATOM 0 HA ARG A 35 4.831 -11.468 0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.376 -10.176 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.033 -11.895 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.233 -10.178 -0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.547 -11.132 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.243 -13.178 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.850 -12.260 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 35 7.001 -11.736 -3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.743 -13.991 -1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.704 -14.653 -2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.227 -12.600 -4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.413 -13.869 -4.488 1.00 0.00 H new ATOM 522 N LYS A 36 5.515 -9.550 3.007 1.00 0.00 N ATOM 523 CA LYS A 36 5.104 -9.073 4.316 1.00 0.00 C ATOM 524 C LYS A 36 3.613 -8.743 4.360 1.00 0.00 C ATOM 525 O LYS A 36 2.818 -9.430 5.001 1.00 0.00 O ATOM 526 CB LYS A 36 5.903 -7.839 4.637 1.00 0.00 C ATOM 527 CG LYS A 36 7.327 -8.157 4.911 1.00 0.00 C ATOM 528 CD LYS A 36 7.418 -9.181 6.010 1.00 0.00 C ATOM 529 CE LYS A 36 8.856 -9.501 6.379 1.00 0.00 C ATOM 530 NZ LYS A 36 8.943 -10.641 7.331 1.00 0.00 N ATOM 0 H LYS A 36 6.326 -9.060 2.630 1.00 0.00 H new ATOM 0 HA LYS A 36 5.284 -9.860 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.841 -7.140 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.469 -7.341 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.805 -8.536 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.862 -7.252 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.892 -8.813 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.914 -10.095 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.419 -9.738 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.322 -8.621 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.940 -10.828 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.428 -10.405 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.522 -11.488 6.898 1.00 0.00 H new ATOM 544 N MET A 37 3.276 -7.680 3.652 1.00 0.00 N ATOM 545 CA MET A 37 1.914 -7.131 3.581 1.00 0.00 C ATOM 546 C MET A 37 0.820 -8.169 3.271 1.00 0.00 C ATOM 547 O MET A 37 -0.303 -8.029 3.751 1.00 0.00 O ATOM 548 CB MET A 37 1.865 -6.033 2.519 1.00 0.00 C ATOM 549 CG MET A 37 2.575 -4.746 2.907 1.00 0.00 C ATOM 550 SD MET A 37 2.644 -3.577 1.537 1.00 0.00 S ATOM 551 CE MET A 37 3.860 -2.411 2.136 1.00 0.00 C ATOM 0 H MET A 37 3.950 -7.155 3.094 1.00 0.00 H new ATOM 0 HA MET A 37 1.698 -6.744 4.577 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.309 -6.415 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.822 -5.805 2.299 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.059 -4.287 3.750 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.587 -4.976 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 37 4.245 -1.825 1.301 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.397 -1.745 2.864 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.680 -2.951 2.609 1.00 0.00 H new ATOM 561 N GLN A 38 1.126 -9.192 2.468 1.00 0.00 N ATOM 562 CA GLN A 38 0.101 -10.153 2.029 1.00 0.00 C ATOM 563 C GLN A 38 -0.478 -10.930 3.200 1.00 0.00 C ATOM 564 O GLN A 38 -1.567 -11.493 3.109 1.00 0.00 O ATOM 565 CB GLN A 38 0.657 -11.125 0.990 1.00 0.00 C ATOM 566 CG GLN A 38 1.660 -12.126 1.533 1.00 0.00 C ATOM 567 CD GLN A 38 2.031 -13.190 0.519 1.00 0.00 C ATOM 568 OE1 GLN A 38 1.217 -13.575 -0.321 1.00 0.00 O ATOM 569 NE2 GLN A 38 3.260 -13.675 0.591 1.00 0.00 N ATOM 0 H GLN A 38 2.063 -9.378 2.110 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.699 -9.571 1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.173 -11.670 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.131 -10.552 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.561 -11.598 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.246 -12.604 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.904 -13.329 1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.563 -14.395 -0.065 1.00 0.00 H new ATOM 578 N ALA A 39 0.253 -10.947 4.295 1.00 0.00 N ATOM 579 CA ALA A 39 -0.210 -11.588 5.521 1.00 0.00 C ATOM 580 C ALA A 39 -1.185 -10.682 6.275 1.00 0.00 C ATOM 581 O ALA A 39 -1.432 -10.865 7.468 1.00 0.00 O ATOM 582 CB ALA A 39 0.972 -11.942 6.405 1.00 0.00 C ATOM 0 H ALA A 39 1.178 -10.523 4.367 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.736 -12.504 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.614 -12.420 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.633 -12.626 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.519 -11.035 6.661 1.00 0.00 H new ATOM 588 N SER A 40 -1.720 -9.695 5.573 1.00 0.00 N ATOM 589 CA SER A 40 -2.653 -8.752 6.139 1.00 0.00 C ATOM 590 C SER A 40 -3.816 -8.520 5.174 1.00 0.00 C ATOM 591 O SER A 40 -3.612 -8.187 4.001 1.00 0.00 O ATOM 592 CB SER A 40 -1.934 -7.434 6.420 1.00 0.00 C ATOM 593 OG SER A 40 -0.830 -7.632 7.292 1.00 0.00 O ATOM 0 H SER A 40 -1.513 -9.531 4.588 1.00 0.00 H new ATOM 0 HA SER A 40 -3.050 -9.153 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.588 -6.997 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.631 -6.723 6.865 1.00 0.00 H new ATOM 0 HG SER A 40 -0.385 -6.775 7.456 1.00 0.00 H new ATOM 599 N PRO A 41 -5.050 -8.706 5.670 1.00 0.00 N ATOM 600 CA PRO A 41 -6.286 -8.495 4.905 1.00 0.00 C ATOM 601 C PRO A 41 -6.348 -7.116 4.322 1.00 0.00 C ATOM 602 O PRO A 41 -7.027 -6.872 3.329 1.00 0.00 O ATOM 603 CB PRO A 41 -7.402 -8.678 5.931 1.00 0.00 C ATOM 604 CG PRO A 41 -6.739 -8.680 7.250 1.00 0.00 C ATOM 605 CD PRO A 41 -5.331 -9.146 7.031 1.00 0.00 C ATOM 0 HA PRO A 41 -6.359 -9.183 4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.133 -7.872 5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.939 -9.611 5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.751 -7.683 7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.261 -9.340 7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.642 -8.702 7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.243 -10.228 7.132 1.00 0.00 H new ATOM 613 N GLU A 42 -5.646 -6.228 4.975 1.00 0.00 N ATOM 614 CA GLU A 42 -5.486 -4.871 4.514 1.00 0.00 C ATOM 615 C GLU A 42 -4.961 -4.822 3.083 1.00 0.00 C ATOM 616 O GLU A 42 -5.642 -4.342 2.172 1.00 0.00 O ATOM 617 CB GLU A 42 -4.536 -4.124 5.438 1.00 0.00 C ATOM 618 CG GLU A 42 -5.064 -3.883 6.846 1.00 0.00 C ATOM 619 CD GLU A 42 -5.303 -5.155 7.633 1.00 0.00 C ATOM 620 OE1 GLU A 42 -4.378 -5.985 7.719 1.00 0.00 O ATOM 621 OE2 GLU A 42 -6.419 -5.338 8.157 1.00 0.00 O ATOM 0 H GLU A 42 -5.163 -6.427 5.851 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.466 -4.394 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.604 -4.685 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.296 -3.161 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.354 -3.259 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.998 -3.324 6.784 1.00 0.00 H new ATOM 628 N TYR A 43 -3.749 -5.325 2.900 1.00 0.00 N ATOM 629 CA TYR A 43 -3.119 -5.371 1.591 1.00 0.00 C ATOM 630 C TYR A 43 -3.971 -6.173 0.616 1.00 0.00 C ATOM 631 O TYR A 43 -4.153 -5.773 -0.532 1.00 0.00 O ATOM 632 CB TYR A 43 -1.710 -5.965 1.729 1.00 0.00 C ATOM 633 CG TYR A 43 -1.147 -6.609 0.472 1.00 0.00 C ATOM 634 CD1 TYR A 43 -1.447 -7.929 0.154 1.00 0.00 C ATOM 635 CD2 TYR A 43 -0.306 -5.908 -0.382 1.00 0.00 C ATOM 636 CE1 TYR A 43 -0.931 -8.528 -0.977 1.00 0.00 C ATOM 637 CE2 TYR A 43 0.218 -6.504 -1.515 1.00 0.00 C ATOM 638 CZ TYR A 43 -0.100 -7.812 -1.808 1.00 0.00 C ATOM 639 OH TYR A 43 0.424 -8.411 -2.931 1.00 0.00 O ATOM 0 H TYR A 43 -3.178 -5.711 3.652 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.033 -4.361 1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.030 -5.174 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.725 -6.711 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.096 -8.496 0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.057 -4.881 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.178 -9.553 -1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.874 -5.946 -2.167 1.00 0.00 H new ATOM 0 HH TYR A 43 0.989 -7.770 -3.410 1.00 0.00 H new ATOM 649 N GLN A 44 -4.502 -7.294 1.090 1.00 0.00 N ATOM 650 CA GLN A 44 -5.344 -8.158 0.266 1.00 0.00 C ATOM 651 C GLN A 44 -6.513 -7.388 -0.301 1.00 0.00 C ATOM 652 O GLN A 44 -6.664 -7.272 -1.512 1.00 0.00 O ATOM 653 CB GLN A 44 -5.895 -9.302 1.094 1.00 0.00 C ATOM 654 CG GLN A 44 -4.838 -10.112 1.795 1.00 0.00 C ATOM 655 CD GLN A 44 -4.176 -11.148 0.901 1.00 0.00 C ATOM 656 OE1 GLN A 44 -4.074 -10.858 -0.385 1.00 0.00 O flip ATOM 657 NE2 GLN A 44 -3.753 -12.206 1.366 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.365 -7.628 2.044 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.725 -8.541 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.584 -8.901 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.474 -9.961 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.074 -9.439 2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.286 -10.616 2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.848 -12.399 2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.308 -12.890 0.754 1.00 0.00 H new ATOM 666 N ASP A 45 -7.334 -6.882 0.607 1.00 0.00 N ATOM 667 CA ASP A 45 -8.550 -6.143 0.252 1.00 0.00 C ATOM 668 C ASP A 45 -8.280 -5.084 -0.809 1.00 0.00 C ATOM 669 O ASP A 45 -8.951 -5.041 -1.838 1.00 0.00 O ATOM 670 CB ASP A 45 -9.162 -5.484 1.488 1.00 0.00 C ATOM 671 CG ASP A 45 -10.639 -5.189 1.319 1.00 0.00 C ATOM 672 OD1 ASP A 45 -11.331 -5.973 0.634 1.00 0.00 O ATOM 673 OD2 ASP A 45 -11.121 -4.201 1.908 1.00 0.00 O ATOM 0 H ASP A 45 -7.182 -6.969 1.612 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.254 -6.866 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.022 -6.136 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.632 -4.556 1.701 1.00 0.00 H new ATOM 678 N TYR A 46 -7.281 -4.249 -0.567 1.00 0.00 N ATOM 679 CA TYR A 46 -6.937 -3.186 -1.511 1.00 0.00 C ATOM 680 C TYR A 46 -6.506 -3.749 -2.849 1.00 0.00 C ATOM 681 O TYR A 46 -6.904 -3.244 -3.901 1.00 0.00 O ATOM 682 CB TYR A 46 -5.843 -2.271 -0.957 1.00 0.00 C ATOM 683 CG TYR A 46 -5.466 -1.170 -1.923 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.216 -0.005 -2.001 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.378 -1.307 -2.778 1.00 0.00 C ATOM 686 CE1 TYR A 46 -5.893 0.993 -2.900 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.046 -0.312 -3.676 1.00 0.00 C ATOM 688 CZ TYR A 46 -4.809 0.834 -3.735 1.00 0.00 C ATOM 689 OH TYR A 46 -4.488 1.824 -4.635 1.00 0.00 O ATOM 0 H TYR A 46 -6.695 -4.282 0.267 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.841 -2.594 -1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.183 -1.828 -0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.959 -2.865 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.066 0.124 -1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.782 -2.207 -2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.487 1.893 -2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.193 -0.431 -4.328 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.697 1.556 -5.147 1.00 0.00 H new ATOM 699 N VAL A 47 -5.705 -4.789 -2.817 1.00 0.00 N ATOM 700 CA VAL A 47 -5.214 -5.375 -4.041 1.00 0.00 C ATOM 701 C VAL A 47 -6.334 -6.123 -4.763 1.00 0.00 C ATOM 702 O VAL A 47 -6.316 -6.293 -5.983 1.00 0.00 O ATOM 703 CB VAL A 47 -4.006 -6.300 -3.766 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.626 -7.115 -4.991 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.818 -5.479 -3.289 1.00 0.00 C ATOM 0 H VAL A 47 -5.382 -5.243 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.870 -4.572 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.297 -7.002 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.773 -7.751 -4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.470 -7.736 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.362 -6.443 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.972 -6.140 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.546 -4.753 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.083 -4.955 -2.371 1.00 0.00 H new ATOM 715 N TYR A 48 -7.324 -6.530 -3.995 1.00 0.00 N ATOM 716 CA TYR A 48 -8.497 -7.194 -4.509 1.00 0.00 C ATOM 717 C TYR A 48 -9.365 -6.208 -5.282 1.00 0.00 C ATOM 718 O TYR A 48 -9.790 -6.477 -6.407 1.00 0.00 O ATOM 719 CB TYR A 48 -9.242 -7.773 -3.316 1.00 0.00 C ATOM 720 CG TYR A 48 -10.709 -7.979 -3.526 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.190 -9.089 -4.191 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.607 -7.052 -3.041 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.545 -9.271 -4.371 1.00 0.00 C ATOM 724 CE2 TYR A 48 -12.966 -7.222 -3.210 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.431 -8.333 -3.877 1.00 0.00 C ATOM 726 OH TYR A 48 -14.782 -8.512 -4.054 1.00 0.00 O ATOM 0 H TYR A 48 -7.333 -6.406 -2.983 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.227 -7.990 -5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.790 -8.730 -3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.102 -7.110 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.497 -9.823 -4.575 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.241 -6.179 -2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.911 -10.141 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.659 -6.490 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.267 -7.764 -3.647 1.00 0.00 H new ATOM 736 N LEU A 49 -9.626 -5.074 -4.655 1.00 0.00 N ATOM 737 CA LEU A 49 -10.400 -3.996 -5.276 1.00 0.00 C ATOM 738 C LEU A 49 -9.646 -3.396 -6.451 1.00 0.00 C ATOM 739 O LEU A 49 -10.078 -3.475 -7.602 1.00 0.00 O ATOM 740 CB LEU A 49 -10.666 -2.878 -4.267 1.00 0.00 C ATOM 741 CG LEU A 49 -11.178 -3.333 -2.915 1.00 0.00 C ATOM 742 CD1 LEU A 49 -11.076 -2.204 -1.902 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.614 -3.825 -3.013 1.00 0.00 C ATOM 0 H LEU A 49 -9.313 -4.868 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.340 -4.427 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.742 -2.319 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.391 -2.187 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.556 -4.163 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.448 -2.547 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.035 -1.898 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.672 -1.357 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.957 -4.145 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.251 -3.018 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.664 -4.665 -3.706 1.00 0.00 H new ATOM 755 N GLU A 50 -8.514 -2.795 -6.135 1.00 0.00 N ATOM 756 CA GLU A 50 -7.752 -2.026 -7.116 1.00 0.00 C ATOM 757 C GLU A 50 -6.824 -2.904 -7.954 1.00 0.00 C ATOM 758 O GLU A 50 -7.092 -3.158 -9.129 1.00 0.00 O ATOM 759 CB GLU A 50 -6.949 -0.924 -6.425 1.00 0.00 C ATOM 760 CG GLU A 50 -7.817 0.088 -5.698 1.00 0.00 C ATOM 761 CD GLU A 50 -8.839 0.733 -6.608 1.00 0.00 C ATOM 762 OE1 GLU A 50 -8.441 1.320 -7.635 1.00 0.00 O ATOM 763 OE2 GLU A 50 -10.045 0.652 -6.309 1.00 0.00 O ATOM 0 H GLU A 50 -8.096 -2.822 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.475 -1.576 -7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.260 -1.379 -5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.344 -0.405 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.330 -0.405 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.183 0.861 -5.264 1.00 0.00 H new ATOM 770 N GLY A 51 -5.728 -3.353 -7.361 1.00 0.00 N ATOM 771 CA GLY A 51 -4.770 -4.157 -8.094 1.00 0.00 C ATOM 772 C GLY A 51 -3.411 -4.172 -7.429 1.00 0.00 C ATOM 773 O GLY A 51 -3.099 -3.289 -6.631 1.00 0.00 O ATOM 0 H GLY A 51 -5.484 -3.176 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.143 -5.178 -8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.673 -3.769 -9.108 1.00 0.00 H new ATOM 777 N THR A 52 -2.603 -5.168 -7.759 1.00 0.00 N ATOM 778 CA THR A 52 -1.297 -5.336 -7.146 1.00 0.00 C ATOM 779 C THR A 52 -0.297 -4.308 -7.673 1.00 0.00 C ATOM 780 O THR A 52 0.551 -3.823 -6.930 1.00 0.00 O ATOM 781 CB THR A 52 -0.755 -6.747 -7.416 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.850 -7.646 -7.657 1.00 0.00 O ATOM 783 CG2 THR A 52 0.056 -7.246 -6.233 1.00 0.00 C ATOM 0 H THR A 52 -2.833 -5.878 -8.455 1.00 0.00 H new ATOM 0 HA THR A 52 -1.420 -5.188 -6.073 1.00 0.00 H new ATOM 0 HB THR A 52 -0.108 -6.708 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.502 -8.546 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.431 -8.247 -6.445 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.896 -6.574 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.576 -7.276 -5.345 1.00 0.00 H new ATOM 791 N GLN A 53 -0.401 -3.973 -8.953 1.00 0.00 N ATOM 792 CA GLN A 53 0.517 -3.029 -9.566 1.00 0.00 C ATOM 793 C GLN A 53 0.199 -1.608 -9.137 1.00 0.00 C ATOM 794 O GLN A 53 1.083 -0.767 -9.037 1.00 0.00 O ATOM 795 CB GLN A 53 0.456 -3.158 -11.081 1.00 0.00 C ATOM 796 CG GLN A 53 0.779 -4.557 -11.548 1.00 0.00 C ATOM 797 CD GLN A 53 1.191 -4.631 -13.007 1.00 0.00 C ATOM 798 OE1 GLN A 53 0.354 -4.813 -13.892 1.00 0.00 O ATOM 799 NE2 GLN A 53 2.483 -4.490 -13.267 1.00 0.00 N ATOM 0 H GLN A 53 -1.112 -4.342 -9.584 1.00 0.00 H new ATOM 0 HA GLN A 53 1.529 -3.260 -9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.540 -2.882 -11.428 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.157 -2.455 -11.532 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.582 -4.960 -10.931 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.092 -5.193 -11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.143 -4.341 -12.504 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.817 -4.531 -14.230 1.00 0.00 H new ATOM 808 N LYS A 54 -1.071 -1.353 -8.908 1.00 0.00 N ATOM 809 CA LYS A 54 -1.520 -0.093 -8.353 1.00 0.00 C ATOM 810 C LYS A 54 -1.158 0.013 -6.880 1.00 0.00 C ATOM 811 O LYS A 54 -0.901 1.100 -6.382 1.00 0.00 O ATOM 812 CB LYS A 54 -2.996 0.041 -8.538 1.00 0.00 C ATOM 813 CG LYS A 54 -3.416 1.476 -8.627 1.00 0.00 C ATOM 814 CD LYS A 54 -4.908 1.580 -8.732 1.00 0.00 C ATOM 815 CE LYS A 54 -5.400 2.993 -8.469 1.00 0.00 C ATOM 816 NZ LYS A 54 -6.863 3.116 -8.696 1.00 0.00 N ATOM 0 H LYS A 54 -1.823 -2.014 -9.101 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.018 0.718 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.298 -0.483 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.512 -0.438 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.069 2.018 -7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.951 1.944 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.224 1.265 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.370 0.897 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.166 3.275 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.871 3.690 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.135 4.120 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.106 2.712 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.374 2.602 -7.950 1.00 0.00 H new ATOM 830 N ALA A 55 -1.141 -1.116 -6.187 1.00 0.00 N ATOM 831 CA ALA A 55 -0.646 -1.157 -4.817 1.00 0.00 C ATOM 832 C ALA A 55 0.866 -0.984 -4.822 1.00 0.00 C ATOM 833 O ALA A 55 1.425 -0.351 -3.937 1.00 0.00 O ATOM 834 CB ALA A 55 -1.047 -2.464 -4.154 1.00 0.00 C ATOM 0 H ALA A 55 -1.463 -2.014 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.088 -0.343 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.672 -2.483 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.134 -2.548 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.624 -3.300 -4.711 1.00 0.00 H new ATOM 840 N LYS A 56 1.523 -1.558 -5.826 1.00 0.00 N ATOM 841 CA LYS A 56 2.914 -1.275 -6.096 1.00 0.00 C ATOM 842 C LYS A 56 3.093 0.217 -6.312 1.00 0.00 C ATOM 843 O LYS A 56 3.856 0.864 -5.618 1.00 0.00 O ATOM 844 CB LYS A 56 3.358 -2.033 -7.342 1.00 0.00 C ATOM 845 CG LYS A 56 4.845 -2.008 -7.552 1.00 0.00 C ATOM 846 CD LYS A 56 5.245 -2.902 -8.708 1.00 0.00 C ATOM 847 CE LYS A 56 6.740 -2.864 -8.977 1.00 0.00 C ATOM 848 NZ LYS A 56 7.222 -1.501 -9.326 1.00 0.00 N ATOM 0 H LYS A 56 1.101 -2.229 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 56 3.521 -1.593 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.026 -3.068 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.867 -1.603 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.171 -0.987 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.350 -2.335 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.943 -3.927 -8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.709 -2.593 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.274 -3.220 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.977 -3.549 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.808 -1.549 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.407 -0.878 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.789 -1.122 -8.541 1.00 0.00 H new ATOM 862 N LYS A 57 2.380 0.744 -7.295 1.00 0.00 N ATOM 863 CA LYS A 57 2.317 2.158 -7.567 1.00 0.00 C ATOM 864 C LYS A 57 2.050 2.975 -6.304 1.00 0.00 C ATOM 865 O LYS A 57 2.644 4.033 -6.104 1.00 0.00 O ATOM 866 CB LYS A 57 1.209 2.347 -8.592 1.00 0.00 C ATOM 867 CG LYS A 57 1.662 3.036 -9.841 1.00 0.00 C ATOM 868 CD LYS A 57 3.022 2.543 -10.239 1.00 0.00 C ATOM 869 CE LYS A 57 3.322 2.907 -11.653 1.00 0.00 C ATOM 870 NZ LYS A 57 4.685 2.486 -12.067 1.00 0.00 N ATOM 0 H LYS A 57 1.819 0.182 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 57 3.274 2.516 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.797 1.372 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.402 2.924 -8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.950 2.852 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.690 4.114 -9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.777 2.972 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.071 1.461 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.586 2.443 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.224 3.986 -11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.847 2.761 -13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.391 2.949 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.772 1.454 -11.975 1.00 0.00 H new ATOM 884 N LEU A 58 1.162 2.472 -5.462 1.00 0.00 N ATOM 885 CA LEU A 58 0.849 3.100 -4.189 1.00 0.00 C ATOM 886 C LEU A 58 2.059 3.035 -3.249 1.00 0.00 C ATOM 887 O LEU A 58 2.401 4.019 -2.586 1.00 0.00 O ATOM 888 CB LEU A 58 -0.373 2.413 -3.565 1.00 0.00 C ATOM 889 CG LEU A 58 -0.971 3.107 -2.352 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.792 4.617 -2.439 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.446 2.782 -2.241 1.00 0.00 C ATOM 0 H LEU A 58 0.637 1.616 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 58 0.612 4.151 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.146 2.325 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.091 1.400 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.447 2.745 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.229 5.087 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.271 4.855 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.289 4.991 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.865 3.284 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.962 3.123 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.574 1.705 -2.136 1.00 0.00 H new ATOM 903 N PHE A 59 2.693 1.869 -3.199 1.00 0.00 N ATOM 904 CA PHE A 59 3.962 1.695 -2.497 1.00 0.00 C ATOM 905 C PHE A 59 4.981 2.718 -2.997 1.00 0.00 C ATOM 906 O PHE A 59 5.565 3.455 -2.206 1.00 0.00 O ATOM 907 CB PHE A 59 4.469 0.252 -2.696 1.00 0.00 C ATOM 908 CG PHE A 59 5.933 0.033 -2.407 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.388 -0.046 -1.103 1.00 0.00 C ATOM 910 CD2 PHE A 59 6.856 -0.112 -3.442 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.727 -0.262 -0.833 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.194 -0.324 -3.172 1.00 0.00 C ATOM 913 CZ PHE A 59 8.630 -0.398 -1.866 1.00 0.00 C ATOM 0 H PHE A 59 2.344 1.019 -3.642 1.00 0.00 H new ATOM 0 HA PHE A 59 3.818 1.862 -1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.887 -0.411 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.271 -0.045 -3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.690 0.062 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.521 -0.058 -4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.066 -0.324 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.898 -0.432 -3.984 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.676 -0.562 -1.653 1.00 0.00 H new ATOM 923 N LEU A 60 5.144 2.772 -4.318 1.00 0.00 N ATOM 924 CA LEU A 60 6.065 3.705 -4.977 1.00 0.00 C ATOM 925 C LEU A 60 5.857 5.136 -4.504 1.00 0.00 C ATOM 926 O LEU A 60 6.812 5.834 -4.158 1.00 0.00 O ATOM 927 CB LEU A 60 5.861 3.672 -6.489 1.00 0.00 C ATOM 928 CG LEU A 60 6.710 2.699 -7.278 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.178 3.054 -7.170 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.490 1.266 -6.842 1.00 0.00 C ATOM 0 H LEU A 60 4.640 2.168 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 60 7.075 3.387 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.813 3.442 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.045 4.674 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 60 6.399 2.781 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.768 2.341 -7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.339 4.058 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.485 3.019 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.120 0.604 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.748 1.163 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.444 0.998 -6.988 1.00 0.00 H new ATOM 942 N GLN A 61 4.609 5.576 -4.549 1.00 0.00 N ATOM 943 CA GLN A 61 4.231 6.904 -4.073 1.00 0.00 C ATOM 944 C GLN A 61 4.760 7.169 -2.687 1.00 0.00 C ATOM 945 O GLN A 61 5.572 8.069 -2.481 1.00 0.00 O ATOM 946 CB GLN A 61 2.729 7.030 -4.014 1.00 0.00 C ATOM 947 CG GLN A 61 2.047 6.860 -5.338 1.00 0.00 C ATOM 948 CD GLN A 61 2.329 7.975 -6.308 1.00 0.00 C ATOM 949 OE1 GLN A 61 2.627 9.104 -5.918 1.00 0.00 O ATOM 950 NE2 GLN A 61 2.179 7.681 -7.580 1.00 0.00 N ATOM 0 H GLN A 61 3.830 5.028 -4.914 1.00 0.00 H new ATOM 0 HA GLN A 61 4.658 7.623 -4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.340 6.286 -3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.473 8.009 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.363 5.916 -5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.971 6.793 -5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.931 6.731 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.310 8.402 -8.289 1.00 0.00 H new ATOM 959 N HIS A 62 4.258 6.401 -1.734 1.00 0.00 N ATOM 960 CA HIS A 62 4.707 6.515 -0.347 1.00 0.00 C ATOM 961 C HIS A 62 6.214 6.468 -0.269 1.00 0.00 C ATOM 962 O HIS A 62 6.810 7.216 0.492 1.00 0.00 O ATOM 963 CB HIS A 62 4.141 5.399 0.522 1.00 0.00 C ATOM 964 CG HIS A 62 4.364 5.622 1.968 1.00 0.00 C ATOM 965 ND1 HIS A 62 5.153 4.806 2.732 1.00 0.00 N ATOM 966 CD2 HIS A 62 3.876 6.570 2.796 1.00 0.00 C ATOM 967 CE1 HIS A 62 5.137 5.239 3.971 1.00 0.00 C ATOM 968 NE2 HIS A 62 4.371 6.310 4.041 1.00 0.00 N ATOM 0 H HIS A 62 3.541 5.692 -1.890 1.00 0.00 H new ATOM 0 HA HIS A 62 4.343 7.473 0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.071 5.308 0.335 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.597 4.453 0.231 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.218 7.382 2.524 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.666 4.791 4.799 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.181 6.853 4.883 1.00 0.00 H new ATOM 977 N ILE A 63 6.816 5.583 -1.045 1.00 0.00 N ATOM 978 CA ILE A 63 8.262 5.521 -1.141 1.00 0.00 C ATOM 979 C ILE A 63 8.827 6.887 -1.438 1.00 0.00 C ATOM 980 O ILE A 63 9.690 7.366 -0.724 1.00 0.00 O ATOM 981 CB ILE A 63 8.726 4.544 -2.218 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.473 3.132 -1.742 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.201 4.753 -2.537 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.346 2.715 -0.592 1.00 0.00 C ATOM 0 H ILE A 63 6.324 4.897 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 63 8.628 5.166 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 63 8.164 4.721 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.428 3.040 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.630 2.445 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.510 4.046 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.355 5.771 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.794 4.592 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.107 1.691 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.393 2.773 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.173 3.378 0.256 1.00 0.00 H new ATOM 996 N HIS A 64 8.274 7.535 -2.451 1.00 0.00 N ATOM 997 CA HIS A 64 8.737 8.844 -2.878 1.00 0.00 C ATOM 998 C HIS A 64 8.588 9.795 -1.723 1.00 0.00 C ATOM 999 O HIS A 64 9.445 10.623 -1.474 1.00 0.00 O ATOM 1000 CB HIS A 64 7.885 9.307 -4.078 1.00 0.00 C ATOM 1001 CG HIS A 64 7.959 10.756 -4.400 1.00 0.00 C ATOM 1002 ND1 HIS A 64 7.796 11.675 -3.435 1.00 0.00 N ATOM 1003 CD2 HIS A 64 8.179 11.435 -5.549 1.00 0.00 C ATOM 1004 CE1 HIS A 64 7.917 12.884 -3.937 1.00 0.00 C ATOM 1005 NE2 HIS A 64 8.146 12.769 -5.229 1.00 0.00 N ATOM 0 H HIS A 64 7.495 7.169 -2.998 1.00 0.00 H new ATOM 0 HA HIS A 64 9.782 8.810 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.192 8.742 -4.958 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.844 9.050 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.348 11.010 -6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.842 13.810 -3.386 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.277 13.542 -5.882 1.00 0.00 H new ATOM 1014 N ARG A 65 7.462 9.704 -1.069 1.00 0.00 N ATOM 1015 CA ARG A 65 7.156 10.544 0.054 1.00 0.00 C ATOM 1016 C ARG A 65 8.136 10.347 1.208 1.00 0.00 C ATOM 1017 O ARG A 65 8.598 11.303 1.828 1.00 0.00 O ATOM 1018 CB ARG A 65 5.771 10.235 0.412 1.00 0.00 C ATOM 1019 CG ARG A 65 4.904 10.599 -0.717 1.00 0.00 C ATOM 1020 CD ARG A 65 3.479 10.460 -0.362 1.00 0.00 C ATOM 1021 NE ARG A 65 3.054 11.416 0.664 1.00 0.00 N ATOM 1022 CZ ARG A 65 1.787 11.599 1.047 1.00 0.00 C ATOM 1023 NH1 ARG A 65 0.820 10.846 0.538 1.00 0.00 N ATOM 1024 NH2 ARG A 65 1.496 12.536 1.943 1.00 0.00 N ATOM 0 H ARG A 65 6.725 9.038 -1.304 1.00 0.00 H new ATOM 0 HA ARG A 65 7.260 11.600 -0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.667 9.175 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.479 10.786 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.108 11.626 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.132 9.964 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.871 10.599 -1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.295 9.446 -0.006 1.00 0.00 H new ATOM 0 HE ARG A 65 3.774 11.980 1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.043 10.125 -0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.146 10.989 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.239 13.113 2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.530 12.678 2.237 1.00 0.00 H new ATOM 1038 N LEU A 66 8.441 9.087 1.457 1.00 0.00 N ATOM 1039 CA LEU A 66 9.528 8.676 2.351 1.00 0.00 C ATOM 1040 C LEU A 66 10.832 9.301 1.912 1.00 0.00 C ATOM 1041 O LEU A 66 11.601 9.829 2.710 1.00 0.00 O ATOM 1042 CB LEU A 66 9.658 7.158 2.295 1.00 0.00 C ATOM 1043 CG LEU A 66 8.426 6.409 2.722 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.613 4.918 2.526 1.00 0.00 C ATOM 1045 CD2 LEU A 66 8.108 6.730 4.158 1.00 0.00 C ATOM 0 H LEU A 66 7.938 8.303 1.042 1.00 0.00 H new ATOM 0 HA LEU A 66 9.304 9.003 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.910 6.865 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.491 6.854 2.929 1.00 0.00 H new ATOM 0 HG LEU A 66 7.586 6.722 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.711 4.394 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.805 4.711 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.458 4.576 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.215 6.185 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.946 6.437 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.933 7.801 4.261 1.00 0.00 H new ATOM 1057 N LYS A 67 11.058 9.203 0.623 1.00 0.00 N ATOM 1058 CA LYS A 67 12.224 9.742 -0.029 1.00 0.00 C ATOM 1059 C LYS A 67 12.320 11.252 0.146 1.00 0.00 C ATOM 1060 O LYS A 67 13.357 11.786 0.537 1.00 0.00 O ATOM 1061 CB LYS A 67 12.112 9.388 -1.505 1.00 0.00 C ATOM 1062 CG LYS A 67 12.184 7.918 -1.756 1.00 0.00 C ATOM 1063 CD LYS A 67 12.558 7.581 -3.175 1.00 0.00 C ATOM 1064 CE LYS A 67 11.813 8.422 -4.188 1.00 0.00 C ATOM 1065 NZ LYS A 67 11.885 7.831 -5.551 1.00 0.00 N ATOM 0 H LYS A 67 10.417 8.733 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 67 13.126 9.319 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.170 9.773 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.911 9.885 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.914 7.475 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.219 7.468 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.630 7.724 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.351 6.527 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.770 8.516 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.232 9.428 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.364 8.434 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.879 7.764 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.463 6.881 -5.540 1.00 0.00 H new ATOM 1079 N HIS A 68 11.219 11.917 -0.147 1.00 0.00 N ATOM 1080 CA HIS A 68 11.154 13.351 -0.199 1.00 0.00 C ATOM 1081 C HIS A 68 9.730 13.794 -0.483 1.00 0.00 C ATOM 1082 O HIS A 68 9.294 13.802 -1.627 1.00 0.00 O ATOM 1083 CB HIS A 68 12.106 13.902 -1.261 1.00 0.00 C ATOM 1084 CG HIS A 68 11.995 13.289 -2.623 1.00 0.00 C ATOM 1085 ND1 HIS A 68 11.224 12.190 -2.882 1.00 0.00 N ATOM 1086 CD2 HIS A 68 12.581 13.622 -3.795 1.00 0.00 C ATOM 1087 CE1 HIS A 68 11.340 11.863 -4.156 1.00 0.00 C ATOM 1088 NE2 HIS A 68 12.155 12.716 -4.731 1.00 0.00 N ATOM 0 H HIS A 68 10.332 11.460 -0.358 1.00 0.00 H new ATOM 0 HA HIS A 68 11.463 13.747 0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.936 14.975 -1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.129 13.771 -0.907 1.00 0.00 H new ATOM 0 HD1 HIS A 68 10.649 11.699 -2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.258 14.447 -3.962 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.848 11.034 -4.642 1.00 0.00 H new ATOM 1097 N GLU A 69 8.991 14.120 0.555 1.00 0.00 N ATOM 1098 CA GLU A 69 7.618 14.541 0.381 1.00 0.00 C ATOM 1099 C GLU A 69 7.567 16.017 -0.007 1.00 0.00 C ATOM 1100 O GLU A 69 7.459 16.874 0.893 1.00 0.00 O ATOM 1101 CB GLU A 69 6.822 14.280 1.659 1.00 0.00 C ATOM 1102 CG GLU A 69 5.475 13.655 1.400 1.00 0.00 C ATOM 1103 CD GLU A 69 4.676 13.394 2.659 1.00 0.00 C ATOM 1104 OE1 GLU A 69 5.091 12.544 3.472 1.00 0.00 O ATOM 1105 OE2 GLU A 69 3.601 14.001 2.814 1.00 0.00 O ATOM 1106 OXT GLU A 69 7.662 16.316 -1.218 1.00 0.00 O ATOM 0 H GLU A 69 9.315 14.102 1.522 1.00 0.00 H new ATOM 0 HA GLU A 69 7.165 13.962 -0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.400 13.626 2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.683 15.221 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.900 14.309 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.616 12.714 0.868 1.00 0.00 H new TER 1113 GLU A 69