USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 367 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 11 LYS NZ :NH3+ -163:sc= 3.46 (180deg=1.85) USER MOD Set 1.2: A 41 SER OG : rot -142:sc= 2.24 USER MOD Single : A 8 SER OG : rot 33:sc= 0.237 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -5:sc= 0.375 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -44:sc= 1.24 USER MOD Single : A 30 ASN : amide:sc= 1.33 K(o=1.3,f=-6.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00457 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 97:sc= 0.368 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.038 (180deg=-0.34) USER MOD Single : A 52 ASN : amide:sc= -2.93! C(o=-2.9!,f=-9.3!) USER MOD Single : A 54 HIS : no HD1:sc= -0.141 K(o=-0.14,f=-0.71) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 -21.048 -0.359 -5.087 1.00 0.00 N ATOM 2 CA SER A 8 -20.325 0.034 -3.889 1.00 0.00 C ATOM 3 C SER A 8 -18.872 0.344 -4.278 1.00 0.00 C ATOM 4 O SER A 8 -18.373 -0.222 -5.249 1.00 0.00 O ATOM 5 CB SER A 8 -20.387 -1.115 -2.886 1.00 0.00 C ATOM 6 OG SER A 8 -21.736 -1.526 -2.680 1.00 0.00 O ATOM 0 HA SER A 8 -20.766 0.921 -3.435 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.796 -1.956 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.947 -0.803 -1.939 1.00 0.00 H new ATOM 0 HG SER A 8 -22.244 -1.409 -3.510 1.00 0.00 H new ATOM 14 N PRO A 9 -18.189 1.276 -3.584 1.00 0.00 N ATOM 15 CA PRO A 9 -16.807 1.632 -3.903 1.00 0.00 C ATOM 16 C PRO A 9 -15.767 0.698 -3.235 1.00 0.00 C ATOM 17 O PRO A 9 -15.576 0.738 -2.016 1.00 0.00 O ATOM 18 CB PRO A 9 -16.686 3.057 -3.357 1.00 0.00 C ATOM 19 CG PRO A 9 -17.653 3.130 -2.212 1.00 0.00 C ATOM 20 CD PRO A 9 -18.718 2.081 -2.456 1.00 0.00 C ATOM 0 HA PRO A 9 -16.601 1.542 -4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.669 3.265 -3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.929 3.793 -4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.143 2.948 -1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.099 4.123 -2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -18.881 1.466 -1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.675 2.537 -2.708 1.00 0.00 H new ATOM 28 N PRO A 10 -15.114 -0.180 -4.005 1.00 0.00 N ATOM 29 CA PRO A 10 -14.103 -1.081 -3.479 1.00 0.00 C ATOM 30 C PRO A 10 -12.704 -0.438 -3.495 1.00 0.00 C ATOM 31 O PRO A 10 -12.507 0.636 -4.098 1.00 0.00 O ATOM 32 CB PRO A 10 -14.176 -2.264 -4.441 1.00 0.00 C ATOM 33 CG PRO A 10 -14.591 -1.674 -5.754 1.00 0.00 C ATOM 34 CD PRO A 10 -15.282 -0.357 -5.459 1.00 0.00 C ATOM 0 HA PRO A 10 -14.274 -1.354 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.212 -2.767 -4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.895 -3.007 -4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.724 -1.518 -6.396 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.262 -2.350 -6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.829 0.464 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.335 -0.388 -5.738 1.00 0.00 H new ATOM 42 N LYS A 11 -11.756 -1.049 -2.821 1.00 0.00 N ATOM 43 CA LYS A 11 -10.396 -0.545 -2.813 1.00 0.00 C ATOM 44 C LYS A 11 -9.486 -1.570 -3.464 1.00 0.00 C ATOM 45 O LYS A 11 -9.693 -2.781 -3.271 1.00 0.00 O ATOM 46 CB LYS A 11 -9.884 -0.304 -1.390 1.00 0.00 C ATOM 47 CG LYS A 11 -10.723 0.627 -0.526 1.00 0.00 C ATOM 48 CD LYS A 11 -10.021 0.922 0.802 1.00 0.00 C ATOM 49 CE LYS A 11 -9.625 -0.358 1.530 1.00 0.00 C ATOM 50 NZ LYS A 11 -8.933 -0.082 2.796 1.00 0.00 N ATOM 0 H LYS A 11 -11.899 -1.896 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.392 0.401 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.809 -1.267 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.875 0.103 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.905 1.559 -1.060 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.696 0.174 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.132 1.525 0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.680 1.513 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.517 -0.953 1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.979 -0.955 0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.434 -0.938 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.247 0.687 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.627 0.201 3.517 1.00 0.00 H new ATOM 64 N PRO A 12 -8.499 -1.134 -4.261 1.00 0.00 N ATOM 65 CA PRO A 12 -7.519 -2.038 -4.852 1.00 0.00 C ATOM 66 C PRO A 12 -6.655 -2.660 -3.763 1.00 0.00 C ATOM 67 O PRO A 12 -6.337 -2.013 -2.760 1.00 0.00 O ATOM 68 CB PRO A 12 -6.657 -1.135 -5.747 1.00 0.00 C ATOM 69 CG PRO A 12 -7.434 0.126 -5.898 1.00 0.00 C ATOM 70 CD PRO A 12 -8.260 0.261 -4.656 1.00 0.00 C ATOM 0 HA PRO A 12 -7.986 -2.855 -5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.684 -0.945 -5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.472 -1.601 -6.715 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.769 0.981 -6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.067 0.089 -6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.733 0.815 -3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.193 0.791 -4.848 1.00 0.00 H new ATOM 78 N LYS A 13 -6.285 -3.896 -3.945 1.00 0.00 N ATOM 79 CA LYS A 13 -5.511 -4.600 -2.958 1.00 0.00 C ATOM 80 C LYS A 13 -4.261 -5.147 -3.592 1.00 0.00 C ATOM 81 O LYS A 13 -4.240 -5.457 -4.784 1.00 0.00 O ATOM 82 CB LYS A 13 -6.343 -5.705 -2.312 1.00 0.00 C ATOM 83 CG LYS A 13 -7.545 -5.171 -1.553 1.00 0.00 C ATOM 84 CD LYS A 13 -8.496 -6.271 -1.160 1.00 0.00 C ATOM 85 CE LYS A 13 -9.634 -5.722 -0.327 1.00 0.00 C ATOM 86 NZ LYS A 13 -10.673 -6.737 -0.080 1.00 0.00 N ATOM 0 H LYS A 13 -6.509 -4.443 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.219 -3.909 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.684 -6.395 -3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.713 -6.276 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.206 -4.647 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.069 -4.441 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.892 -6.752 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.962 -7.036 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.246 -5.361 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.077 -4.866 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.435 -6.322 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.062 -7.064 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.257 -7.543 0.428 1.00 0.00 H new ATOM 100 N CYS A 14 -3.227 -5.256 -2.818 1.00 0.00 N ATOM 101 CA CYS A 14 -1.952 -5.670 -3.325 1.00 0.00 C ATOM 102 C CYS A 14 -1.398 -6.803 -2.495 1.00 0.00 C ATOM 103 O CYS A 14 -1.918 -7.108 -1.404 1.00 0.00 O ATOM 104 CB CYS A 14 -0.991 -4.499 -3.272 1.00 0.00 C ATOM 105 SG CYS A 14 -0.734 -3.888 -1.603 1.00 0.00 S ATOM 0 H CYS A 14 -3.241 -5.061 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.074 -6.011 -4.353 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.033 -4.801 -3.695 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.374 -3.691 -3.895 1.00 0.00 H new ATOM 110 N ARG A 15 -0.357 -7.421 -3.014 1.00 0.00 N ATOM 111 CA ARG A 15 0.355 -8.504 -2.346 1.00 0.00 C ATOM 112 C ARG A 15 1.806 -8.102 -2.156 1.00 0.00 C ATOM 113 O ARG A 15 2.697 -8.956 -2.079 1.00 0.00 O ATOM 114 CB ARG A 15 0.279 -9.840 -3.142 1.00 0.00 C ATOM 115 CG ARG A 15 -1.077 -10.554 -3.105 1.00 0.00 C ATOM 116 CD ARG A 15 -2.150 -9.808 -3.870 1.00 0.00 C ATOM 117 NE ARG A 15 -3.473 -10.374 -3.650 1.00 0.00 N ATOM 118 CZ ARG A 15 -4.625 -9.793 -4.014 1.00 0.00 C ATOM 119 NH1 ARG A 15 -4.622 -8.662 -4.731 1.00 0.00 N ATOM 120 NH2 ARG A 15 -5.769 -10.364 -3.703 1.00 0.00 N ATOM 0 H ARG A 15 0.029 -7.184 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.124 -8.675 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.535 -9.638 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.038 -10.518 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.968 -11.555 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.392 -10.674 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.149 -8.761 -3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.918 -9.832 -4.935 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.528 -11.280 -3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.738 -8.234 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.504 -8.228 -5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.776 -11.244 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.649 -9.926 -3.977 1.00 0.00 H new ATOM 134 N CYS A 16 2.027 -6.791 -2.061 1.00 0.00 N ATOM 135 CA CYS A 16 3.359 -6.225 -1.843 1.00 0.00 C ATOM 136 C CYS A 16 3.962 -6.795 -0.573 1.00 0.00 C ATOM 137 O CYS A 16 3.433 -6.606 0.506 1.00 0.00 O ATOM 138 CB CYS A 16 3.295 -4.704 -1.726 1.00 0.00 C ATOM 139 SG CYS A 16 2.651 -3.855 -3.171 1.00 0.00 S ATOM 0 H CYS A 16 1.288 -6.091 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 16 3.980 -6.487 -2.700 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.675 -4.447 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.297 -4.329 -1.520 1.00 0.00 H new ATOM 144 N GLY A 17 5.016 -7.519 -0.716 1.00 0.00 N ATOM 145 CA GLY A 17 5.647 -8.136 0.412 1.00 0.00 C ATOM 146 C GLY A 17 5.703 -9.605 0.206 1.00 0.00 C ATOM 147 O GLY A 17 6.707 -10.255 0.502 1.00 0.00 O ATOM 0 H GLY A 17 5.469 -7.704 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.653 -7.738 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.093 -7.907 1.322 1.00 0.00 H new ATOM 151 N ILE A 18 4.633 -10.139 -0.327 1.00 0.00 N ATOM 152 CA ILE A 18 4.594 -11.523 -0.729 1.00 0.00 C ATOM 153 C ILE A 18 5.327 -11.582 -2.055 1.00 0.00 C ATOM 154 O ILE A 18 6.169 -12.454 -2.302 1.00 0.00 O ATOM 155 CB ILE A 18 3.139 -12.015 -0.945 1.00 0.00 C ATOM 156 CG1 ILE A 18 2.291 -11.785 0.309 1.00 0.00 C ATOM 157 CG2 ILE A 18 3.122 -13.486 -1.336 1.00 0.00 C ATOM 158 CD1 ILE A 18 0.851 -12.246 0.168 1.00 0.00 C ATOM 0 H ILE A 18 3.766 -9.628 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 18 5.041 -12.154 0.039 1.00 0.00 H new ATOM 0 HB ILE A 18 2.706 -11.435 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.750 -12.309 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.300 -10.723 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.092 -13.812 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.681 -13.623 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.580 -14.078 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.314 -12.050 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.374 -11.704 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.830 -13.315 -0.045 1.00 0.00 H new ATOM 170 N SER A 19 5.015 -10.612 -2.868 1.00 0.00 N ATOM 171 CA SER A 19 5.611 -10.410 -4.145 1.00 0.00 C ATOM 172 C SER A 19 5.961 -8.926 -4.244 1.00 0.00 C ATOM 173 O SER A 19 5.482 -8.129 -3.421 1.00 0.00 O ATOM 174 CB SER A 19 4.600 -10.805 -5.230 1.00 0.00 C ATOM 175 OG SER A 19 4.179 -12.159 -5.061 1.00 0.00 O ATOM 0 H SER A 19 4.307 -9.914 -2.642 1.00 0.00 H new ATOM 0 HA SER A 19 6.508 -11.015 -4.277 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.736 -10.142 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.049 -10.679 -6.215 1.00 0.00 H new ATOM 0 HG SER A 19 3.534 -12.391 -5.761 1.00 0.00 H new ATOM 181 N GLY A 20 6.785 -8.554 -5.192 1.00 0.00 N ATOM 182 CA GLY A 20 7.124 -7.156 -5.347 1.00 0.00 C ATOM 183 C GLY A 20 8.394 -6.780 -4.611 1.00 0.00 C ATOM 184 O GLY A 20 8.453 -5.747 -3.930 1.00 0.00 O ATOM 0 H GLY A 20 7.228 -9.185 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.242 -6.930 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.301 -6.543 -4.980 1.00 0.00 H new ATOM 188 N SER A 21 9.406 -7.602 -4.745 1.00 0.00 N ATOM 189 CA SER A 21 10.674 -7.353 -4.116 1.00 0.00 C ATOM 190 C SER A 21 11.429 -6.279 -4.904 1.00 0.00 C ATOM 191 O SER A 21 11.920 -6.521 -6.003 1.00 0.00 O ATOM 192 CB SER A 21 11.480 -8.644 -4.061 1.00 0.00 C ATOM 193 OG SER A 21 10.737 -9.684 -3.415 1.00 0.00 O ATOM 0 H SER A 21 9.371 -8.461 -5.293 1.00 0.00 H new ATOM 0 HA SER A 21 10.518 -6.998 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.745 -8.955 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.413 -8.472 -3.525 1.00 0.00 H new ATOM 0 HG SER A 21 11.273 -10.504 -3.393 1.00 0.00 H new ATOM 199 N SER A 22 11.427 -5.082 -4.386 1.00 0.00 N ATOM 200 CA SER A 22 12.107 -3.961 -5.004 1.00 0.00 C ATOM 201 C SER A 22 12.523 -2.975 -3.924 1.00 0.00 C ATOM 202 O SER A 22 13.649 -2.494 -3.896 1.00 0.00 O ATOM 203 CB SER A 22 11.191 -3.280 -6.037 1.00 0.00 C ATOM 204 OG SER A 22 10.771 -4.211 -7.044 1.00 0.00 O ATOM 0 H SER A 22 10.951 -4.848 -3.515 1.00 0.00 H new ATOM 0 HA SER A 22 12.995 -4.317 -5.527 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.318 -2.863 -5.535 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.718 -2.448 -6.503 1.00 0.00 H new ATOM 0 HG SER A 22 11.221 -5.070 -6.903 1.00 0.00 H new ATOM 210 N ASN A 23 11.607 -2.701 -3.029 1.00 0.00 N ATOM 211 CA ASN A 23 11.856 -1.835 -1.907 1.00 0.00 C ATOM 212 C ASN A 23 11.448 -2.599 -0.672 1.00 0.00 C ATOM 213 O ASN A 23 10.335 -3.124 -0.622 1.00 0.00 O ATOM 214 CB ASN A 23 11.050 -0.518 -2.016 1.00 0.00 C ATOM 215 CG ASN A 23 11.451 0.377 -3.195 1.00 0.00 C ATOM 216 OD1 ASN A 23 12.348 1.220 -3.088 1.00 0.00 O ATOM 217 ND2 ASN A 23 10.764 0.244 -4.303 1.00 0.00 N ATOM 0 H ASN A 23 10.659 -3.077 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 23 12.909 -1.554 -1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.991 -0.761 -2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.172 0.045 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.965 0.844 -5.103 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.028 -0.460 -4.366 1.00 0.00 H new ATOM 224 N THR A 24 12.320 -2.694 0.294 1.00 0.00 N ATOM 225 CA THR A 24 12.053 -3.497 1.477 1.00 0.00 C ATOM 226 C THR A 24 11.479 -2.627 2.616 1.00 0.00 C ATOM 227 O THR A 24 10.674 -3.084 3.440 1.00 0.00 O ATOM 228 CB THR A 24 13.347 -4.204 1.930 1.00 0.00 C ATOM 229 OG1 THR A 24 13.955 -4.827 0.783 1.00 0.00 O ATOM 230 CG2 THR A 24 13.047 -5.282 2.961 1.00 0.00 C ATOM 0 H THR A 24 13.227 -2.227 0.294 1.00 0.00 H new ATOM 0 HA THR A 24 11.307 -4.251 1.227 1.00 0.00 H new ATOM 0 HB THR A 24 14.012 -3.465 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.780 -5.279 1.056 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.976 -5.765 3.264 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.572 -4.830 3.832 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.377 -6.024 2.527 1.00 0.00 H new ATOM 238 N LEU A 25 11.877 -1.386 2.645 1.00 0.00 N ATOM 239 CA LEU A 25 11.399 -0.449 3.645 1.00 0.00 C ATOM 240 C LEU A 25 10.234 0.322 3.066 1.00 0.00 C ATOM 241 O LEU A 25 9.289 0.685 3.749 1.00 0.00 O ATOM 242 CB LEU A 25 12.513 0.538 4.009 1.00 0.00 C ATOM 243 CG LEU A 25 13.836 -0.065 4.494 1.00 0.00 C ATOM 244 CD1 LEU A 25 14.860 1.029 4.685 1.00 0.00 C ATOM 245 CD2 LEU A 25 13.646 -0.834 5.787 1.00 0.00 C ATOM 0 H LEU A 25 12.541 -0.988 1.981 1.00 0.00 H new ATOM 0 HA LEU A 25 11.093 -0.993 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.721 1.154 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.137 1.204 4.786 1.00 0.00 H new ATOM 0 HG LEU A 25 14.191 -0.763 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 25 15.798 0.593 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.025 1.542 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.497 1.742 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.601 -1.250 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.267 -0.162 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.933 -1.643 5.628 1.00 0.00 H new ATOM 257 N THR A 26 10.311 0.546 1.793 1.00 0.00 N ATOM 258 CA THR A 26 9.339 1.319 1.085 1.00 0.00 C ATOM 259 C THR A 26 8.419 0.384 0.240 1.00 0.00 C ATOM 260 O THR A 26 7.851 0.815 -0.750 1.00 0.00 O ATOM 261 CB THR A 26 10.122 2.283 0.157 1.00 0.00 C ATOM 262 OG1 THR A 26 11.293 2.738 0.855 1.00 0.00 O ATOM 263 CG2 THR A 26 9.295 3.497 -0.210 1.00 0.00 C ATOM 0 H THR A 26 11.065 0.191 1.205 1.00 0.00 H new ATOM 0 HA THR A 26 8.702 1.873 1.775 1.00 0.00 H new ATOM 0 HB THR A 26 10.378 1.745 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.800 3.348 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.876 4.150 -0.861 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.391 3.178 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.021 4.038 0.696 1.00 0.00 H new ATOM 271 N THR A 27 8.238 -0.871 0.692 1.00 0.00 N ATOM 272 CA THR A 27 7.478 -1.912 -0.049 1.00 0.00 C ATOM 273 C THR A 27 6.100 -1.413 -0.584 1.00 0.00 C ATOM 274 O THR A 27 5.884 -1.353 -1.786 1.00 0.00 O ATOM 275 CB THR A 27 7.285 -3.154 0.847 1.00 0.00 C ATOM 276 OG1 THR A 27 8.553 -3.525 1.403 1.00 0.00 O ATOM 277 CG2 THR A 27 6.743 -4.324 0.047 1.00 0.00 C ATOM 0 H THR A 27 8.613 -1.199 1.582 1.00 0.00 H new ATOM 0 HA THR A 27 8.071 -2.169 -0.927 1.00 0.00 H new ATOM 0 HB THR A 27 6.572 -2.908 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.240 -3.485 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.617 -5.186 0.703 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.780 -4.053 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.442 -4.575 -0.751 1.00 0.00 H new ATOM 285 N CYS A 28 5.199 -1.078 0.301 1.00 0.00 N ATOM 286 CA CYS A 28 3.904 -0.512 -0.090 1.00 0.00 C ATOM 287 C CYS A 28 3.932 1.004 -0.239 1.00 0.00 C ATOM 288 O CYS A 28 2.951 1.610 -0.615 1.00 0.00 O ATOM 289 CB CYS A 28 2.758 -0.984 0.806 1.00 0.00 C ATOM 290 SG CYS A 28 2.189 -2.659 0.420 1.00 0.00 S ATOM 0 H CYS A 28 5.325 -1.182 1.308 1.00 0.00 H new ATOM 0 HA CYS A 28 3.703 -0.908 -1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.081 -0.948 1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.921 -0.292 0.708 1.00 0.00 H new ATOM 295 N ARG A 29 5.057 1.592 0.070 1.00 0.00 N ATOM 296 CA ARG A 29 5.191 3.043 0.159 1.00 0.00 C ATOM 297 C ARG A 29 5.799 3.627 -1.137 1.00 0.00 C ATOM 298 O ARG A 29 6.266 4.773 -1.155 1.00 0.00 O ATOM 299 CB ARG A 29 6.110 3.336 1.359 1.00 0.00 C ATOM 300 CG ARG A 29 6.117 4.760 1.895 1.00 0.00 C ATOM 301 CD ARG A 29 7.125 4.881 3.029 1.00 0.00 C ATOM 302 NE ARG A 29 7.065 6.173 3.716 1.00 0.00 N ATOM 303 CZ ARG A 29 7.977 6.610 4.599 1.00 0.00 C ATOM 304 NH1 ARG A 29 9.151 5.988 4.725 1.00 0.00 N ATOM 305 NH2 ARG A 29 7.733 7.698 5.312 1.00 0.00 N ATOM 0 H ARG A 29 5.919 1.085 0.271 1.00 0.00 H new ATOM 0 HA ARG A 29 4.213 3.507 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.826 2.669 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.130 3.076 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.369 5.457 1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.122 5.029 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.948 4.084 3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.129 4.734 2.632 1.00 0.00 H new ATOM 0 HE ARG A 29 6.275 6.784 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.361 5.174 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.838 6.327 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.854 8.201 5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.424 8.033 5.984 1.00 0.00 H new ATOM 319 N ASN A 30 5.776 2.865 -2.216 1.00 0.00 N ATOM 320 CA ASN A 30 6.397 3.328 -3.455 1.00 0.00 C ATOM 321 C ASN A 30 5.441 3.190 -4.639 1.00 0.00 C ATOM 322 O ASN A 30 4.351 2.622 -4.507 1.00 0.00 O ATOM 323 CB ASN A 30 7.731 2.591 -3.744 1.00 0.00 C ATOM 324 CG ASN A 30 7.560 1.167 -4.246 1.00 0.00 C ATOM 325 OD1 ASN A 30 7.495 0.931 -5.433 1.00 0.00 O ATOM 326 ND2 ASN A 30 7.509 0.227 -3.363 1.00 0.00 N ATOM 0 H ASN A 30 5.345 1.942 -2.266 1.00 0.00 H new ATOM 0 HA ASN A 30 6.625 4.385 -3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.294 3.160 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.328 2.574 -2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.412 -0.745 -3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.566 0.456 -2.371 1.00 0.00 H new ATOM 333 N SER A 31 5.891 3.659 -5.792 1.00 0.00 N ATOM 334 CA SER A 31 5.124 3.725 -7.038 1.00 0.00 C ATOM 335 C SER A 31 4.676 2.348 -7.575 1.00 0.00 C ATOM 336 O SER A 31 3.834 2.270 -8.478 1.00 0.00 O ATOM 337 CB SER A 31 5.998 4.419 -8.074 1.00 0.00 C ATOM 338 OG SER A 31 6.565 5.605 -7.526 1.00 0.00 O ATOM 0 H SER A 31 6.839 4.020 -5.895 1.00 0.00 H new ATOM 0 HA SER A 31 4.204 4.273 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.791 3.746 -8.401 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.405 4.664 -8.955 1.00 0.00 H new ATOM 0 HG SER A 31 7.126 6.041 -8.201 1.00 0.00 H new ATOM 344 N ARG A 32 5.238 1.280 -7.051 1.00 0.00 N ATOM 345 CA ARG A 32 4.905 -0.055 -7.511 1.00 0.00 C ATOM 346 C ARG A 32 3.786 -0.668 -6.697 1.00 0.00 C ATOM 347 O ARG A 32 3.390 -1.811 -6.928 1.00 0.00 O ATOM 348 CB ARG A 32 6.146 -0.938 -7.540 1.00 0.00 C ATOM 349 CG ARG A 32 7.200 -0.396 -8.484 1.00 0.00 C ATOM 350 CD ARG A 32 8.461 -1.226 -8.504 1.00 0.00 C ATOM 351 NE ARG A 32 9.451 -0.604 -9.386 1.00 0.00 N ATOM 352 CZ ARG A 32 10.656 -1.087 -9.687 1.00 0.00 C ATOM 353 NH1 ARG A 32 11.070 -2.245 -9.188 1.00 0.00 N ATOM 354 NH2 ARG A 32 11.448 -0.395 -10.493 1.00 0.00 N ATOM 0 H ARG A 32 5.931 1.309 -6.303 1.00 0.00 H new ATOM 0 HA ARG A 32 4.533 0.024 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.562 -1.013 -6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.868 -1.946 -7.846 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.787 -0.349 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.449 0.625 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.864 -1.315 -7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.237 -2.236 -8.848 1.00 0.00 H new ATOM 0 HE ARG A 32 9.193 0.286 -9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.463 -2.778 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.995 -2.602 -9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.133 0.497 -10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.373 -0.754 -10.731 1.00 0.00 H new ATOM 368 N CYS A 33 3.275 0.084 -5.754 1.00 0.00 N ATOM 369 CA CYS A 33 2.138 -0.353 -5.001 1.00 0.00 C ATOM 370 C CYS A 33 0.910 0.351 -5.555 1.00 0.00 C ATOM 371 O CYS A 33 0.775 1.578 -5.406 1.00 0.00 O ATOM 372 CB CYS A 33 2.303 -0.052 -3.515 1.00 0.00 C ATOM 373 SG CYS A 33 0.914 -0.608 -2.483 1.00 0.00 S ATOM 0 H CYS A 33 3.633 1.003 -5.493 1.00 0.00 H new ATOM 0 HA CYS A 33 2.032 -1.434 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.218 -0.526 -3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.430 1.023 -3.385 1.00 0.00 H new ATOM 378 N PRO A 34 -0.015 -0.407 -6.197 1.00 0.00 N ATOM 379 CA PRO A 34 -1.207 0.161 -6.858 1.00 0.00 C ATOM 380 C PRO A 34 -2.079 0.954 -5.896 1.00 0.00 C ATOM 381 O PRO A 34 -2.744 1.910 -6.289 1.00 0.00 O ATOM 382 CB PRO A 34 -1.968 -1.074 -7.381 1.00 0.00 C ATOM 383 CG PRO A 34 -1.397 -2.231 -6.634 1.00 0.00 C ATOM 384 CD PRO A 34 0.030 -1.877 -6.348 1.00 0.00 C ATOM 0 HA PRO A 34 -0.932 0.865 -7.643 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.039 -0.981 -7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.833 -1.194 -8.456 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.947 -2.408 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.461 -3.146 -7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.393 -2.365 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.691 -2.179 -7.160 1.00 0.00 H new ATOM 392 N CYS A 35 -2.042 0.562 -4.637 1.00 0.00 N ATOM 393 CA CYS A 35 -2.802 1.212 -3.591 1.00 0.00 C ATOM 394 C CYS A 35 -2.259 2.591 -3.339 1.00 0.00 C ATOM 395 O CYS A 35 -2.940 3.578 -3.564 1.00 0.00 O ATOM 396 CB CYS A 35 -2.702 0.413 -2.312 1.00 0.00 C ATOM 397 SG CYS A 35 -3.222 -1.276 -2.493 1.00 0.00 S ATOM 0 H CYS A 35 -1.479 -0.223 -4.310 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.842 1.278 -3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.671 0.432 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.310 0.892 -1.544 1.00 0.00 H new ATOM 402 N TYR A 36 -1.003 2.629 -2.921 1.00 0.00 N ATOM 403 CA TYR A 36 -0.298 3.849 -2.552 1.00 0.00 C ATOM 404 C TYR A 36 -0.346 4.881 -3.646 1.00 0.00 C ATOM 405 O TYR A 36 -0.745 6.024 -3.412 1.00 0.00 O ATOM 406 CB TYR A 36 1.165 3.531 -2.233 1.00 0.00 C ATOM 407 CG TYR A 36 2.006 4.758 -1.957 1.00 0.00 C ATOM 408 CD1 TYR A 36 2.017 5.336 -0.709 1.00 0.00 C ATOM 409 CD2 TYR A 36 2.762 5.354 -2.966 1.00 0.00 C ATOM 410 CE1 TYR A 36 2.755 6.468 -0.458 1.00 0.00 C ATOM 411 CE2 TYR A 36 3.496 6.488 -2.730 1.00 0.00 C ATOM 412 CZ TYR A 36 3.490 7.044 -1.467 1.00 0.00 C ATOM 413 OH TYR A 36 4.215 8.184 -1.208 1.00 0.00 O ATOM 0 H TYR A 36 -0.430 1.790 -2.826 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.798 4.258 -1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.204 2.872 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.600 2.984 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.436 4.893 0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.770 4.914 -3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.758 6.904 0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.072 6.941 -3.523 1.00 0.00 H new ATOM 0 HH TYR A 36 4.681 8.467 -2.022 1.00 0.00 H new ATOM 423 N LYS A 37 0.038 4.464 -4.831 1.00 0.00 N ATOM 424 CA LYS A 37 0.155 5.352 -5.956 1.00 0.00 C ATOM 425 C LYS A 37 -1.233 5.933 -6.314 1.00 0.00 C ATOM 426 O LYS A 37 -1.357 7.115 -6.647 1.00 0.00 O ATOM 427 CB LYS A 37 0.832 4.590 -7.129 1.00 0.00 C ATOM 428 CG LYS A 37 1.459 5.468 -8.214 1.00 0.00 C ATOM 429 CD LYS A 37 0.418 6.183 -9.038 1.00 0.00 C ATOM 430 CE LYS A 37 1.029 7.129 -10.032 1.00 0.00 C ATOM 431 NZ LYS A 37 -0.012 7.873 -10.756 1.00 0.00 N ATOM 0 H LYS A 37 0.278 3.495 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 37 0.789 6.206 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.607 3.942 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.089 3.943 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.119 6.201 -7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.076 4.851 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.192 5.449 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.249 6.736 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.689 7.827 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.643 6.572 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.434 8.520 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.626 7.205 -11.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.581 8.421 -10.080 1.00 0.00 H new ATOM 445 N SER A 38 -2.270 5.123 -6.167 1.00 0.00 N ATOM 446 CA SER A 38 -3.627 5.568 -6.438 1.00 0.00 C ATOM 447 C SER A 38 -4.288 6.123 -5.151 1.00 0.00 C ATOM 448 O SER A 38 -5.506 6.245 -5.069 1.00 0.00 O ATOM 449 CB SER A 38 -4.441 4.419 -7.033 1.00 0.00 C ATOM 450 OG SER A 38 -3.777 3.871 -8.178 1.00 0.00 O ATOM 0 H SER A 38 -2.197 4.153 -5.861 1.00 0.00 H new ATOM 0 HA SER A 38 -3.597 6.379 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.585 3.642 -6.283 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.431 4.776 -7.316 1.00 0.00 H new ATOM 0 HG SER A 38 -3.266 3.078 -7.912 1.00 0.00 H new ATOM 456 N TYR A 39 -3.449 6.427 -4.157 1.00 0.00 N ATOM 457 CA TYR A 39 -3.827 7.101 -2.899 1.00 0.00 C ATOM 458 C TYR A 39 -4.760 6.292 -1.996 1.00 0.00 C ATOM 459 O TYR A 39 -5.407 6.838 -1.099 1.00 0.00 O ATOM 460 CB TYR A 39 -4.359 8.515 -3.176 1.00 0.00 C ATOM 461 CG TYR A 39 -3.339 9.361 -3.907 1.00 0.00 C ATOM 462 CD1 TYR A 39 -2.170 9.764 -3.275 1.00 0.00 C ATOM 463 CD2 TYR A 39 -3.519 9.713 -5.237 1.00 0.00 C ATOM 464 CE1 TYR A 39 -1.219 10.499 -3.942 1.00 0.00 C ATOM 465 CE2 TYR A 39 -2.566 10.441 -5.913 1.00 0.00 C ATOM 466 CZ TYR A 39 -1.420 10.833 -5.259 1.00 0.00 C ATOM 467 OH TYR A 39 -0.455 11.545 -5.938 1.00 0.00 O ATOM 0 H TYR A 39 -2.454 6.206 -4.201 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.908 7.186 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.272 8.451 -3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.623 8.996 -2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.005 9.495 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.420 9.411 -5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.319 10.812 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.717 10.703 -6.950 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.750 11.699 -6.860 1.00 0.00 H new ATOM 477 N ASN A 40 -4.754 5.000 -2.172 1.00 0.00 N ATOM 478 CA ASN A 40 -5.553 4.109 -1.345 1.00 0.00 C ATOM 479 C ASN A 40 -4.727 3.553 -0.209 1.00 0.00 C ATOM 480 O ASN A 40 -3.485 3.718 -0.172 1.00 0.00 O ATOM 481 CB ASN A 40 -6.184 2.956 -2.148 1.00 0.00 C ATOM 482 CG ASN A 40 -7.359 3.380 -3.007 1.00 0.00 C ATOM 483 OD1 ASN A 40 -8.508 3.373 -2.559 1.00 0.00 O ATOM 484 ND2 ASN A 40 -7.096 3.728 -4.243 1.00 0.00 N ATOM 0 H ASN A 40 -4.201 4.527 -2.887 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.370 4.709 -0.943 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.421 2.510 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.513 2.181 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.854 4.004 -4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.134 3.722 -4.581 1.00 0.00 H new ATOM 491 N SER A 41 -5.397 2.908 0.703 1.00 0.00 N ATOM 492 CA SER A 41 -4.789 2.321 1.855 1.00 0.00 C ATOM 493 C SER A 41 -4.519 0.836 1.609 1.00 0.00 C ATOM 494 O SER A 41 -5.000 0.262 0.626 1.00 0.00 O ATOM 495 CB SER A 41 -5.740 2.505 3.031 1.00 0.00 C ATOM 496 OG SER A 41 -7.043 2.019 2.696 1.00 0.00 O ATOM 0 H SER A 41 -6.407 2.774 0.661 1.00 0.00 H new ATOM 0 HA SER A 41 -3.834 2.802 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.359 1.973 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.796 3.560 3.301 1.00 0.00 H new ATOM 0 HG SER A 41 -7.722 2.605 3.091 1.00 0.00 H new ATOM 502 N CYS A 42 -3.762 0.216 2.488 1.00 0.00 N ATOM 503 CA CYS A 42 -3.494 -1.197 2.371 1.00 0.00 C ATOM 504 C CYS A 42 -4.190 -1.990 3.440 1.00 0.00 C ATOM 505 O CYS A 42 -3.923 -3.183 3.629 1.00 0.00 O ATOM 506 CB CYS A 42 -2.009 -1.505 2.319 1.00 0.00 C ATOM 507 SG CYS A 42 -1.255 -1.082 0.744 1.00 0.00 S ATOM 0 H CYS A 42 -3.323 0.669 3.290 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.910 -1.510 1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.503 -0.959 3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.857 -2.567 2.514 1.00 0.00 H new ATOM 512 N ALA A 43 -5.094 -1.345 4.126 1.00 0.00 N ATOM 513 CA ALA A 43 -5.909 -2.015 5.095 1.00 0.00 C ATOM 514 C ALA A 43 -6.887 -2.904 4.351 1.00 0.00 C ATOM 515 O ALA A 43 -7.751 -2.407 3.614 1.00 0.00 O ATOM 516 CB ALA A 43 -6.639 -1.010 5.969 1.00 0.00 C ATOM 0 H ALA A 43 -5.284 -0.348 4.028 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.288 -2.621 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.252 -1.540 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.913 -0.386 6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.276 -0.382 5.347 1.00 0.00 H new ATOM 522 N GLY A 44 -6.717 -4.196 4.491 1.00 0.00 N ATOM 523 CA GLY A 44 -7.552 -5.130 3.778 1.00 0.00 C ATOM 524 C GLY A 44 -6.798 -5.823 2.654 1.00 0.00 C ATOM 525 O GLY A 44 -7.341 -6.702 1.980 1.00 0.00 O ATOM 0 H GLY A 44 -6.011 -4.623 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.935 -5.878 4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.414 -4.605 3.367 1.00 0.00 H new ATOM 529 N CYS A 45 -5.548 -5.432 2.443 1.00 0.00 N ATOM 530 CA CYS A 45 -4.708 -6.074 1.446 1.00 0.00 C ATOM 531 C CYS A 45 -4.103 -7.333 2.028 1.00 0.00 C ATOM 532 O CYS A 45 -4.447 -7.754 3.122 1.00 0.00 O ATOM 533 CB CYS A 45 -3.561 -5.163 1.009 1.00 0.00 C ATOM 534 SG CYS A 45 -4.038 -3.629 0.230 1.00 0.00 S ATOM 0 H CYS A 45 -5.095 -4.672 2.951 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.336 -6.300 0.584 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.954 -4.930 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.926 -5.717 0.318 1.00 0.00 H new ATOM 539 N HIS A 46 -3.218 -7.942 1.283 1.00 0.00 N ATOM 540 CA HIS A 46 -2.496 -9.103 1.751 1.00 0.00 C ATOM 541 C HIS A 46 -1.022 -8.786 1.730 1.00 0.00 C ATOM 542 O HIS A 46 -0.181 -9.653 1.634 1.00 0.00 O ATOM 543 CB HIS A 46 -2.825 -10.338 0.906 1.00 0.00 C ATOM 544 CG HIS A 46 -4.243 -10.816 1.070 1.00 0.00 C ATOM 545 ND1 HIS A 46 -4.673 -11.509 2.171 1.00 0.00 N ATOM 546 CD2 HIS A 46 -5.333 -10.671 0.277 1.00 0.00 C ATOM 547 CE1 HIS A 46 -5.952 -11.771 2.057 1.00 0.00 C ATOM 548 NE2 HIS A 46 -6.380 -11.273 0.918 1.00 0.00 N ATOM 0 H HIS A 46 -2.975 -7.650 0.336 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.798 -9.341 2.771 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.646 -10.108 -0.144 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.144 -11.145 1.176 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.368 -10.174 -0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.553 -12.306 2.777 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.337 -11.327 0.569 1.00 0.00 H new ATOM 557 N CYS A 47 -0.736 -7.514 1.854 1.00 0.00 N ATOM 558 CA CYS A 47 0.610 -7.010 1.799 1.00 0.00 C ATOM 559 C CYS A 47 1.378 -7.253 3.103 1.00 0.00 C ATOM 560 O CYS A 47 0.815 -7.177 4.212 1.00 0.00 O ATOM 561 CB CYS A 47 0.614 -5.532 1.382 1.00 0.00 C ATOM 562 SG CYS A 47 -0.511 -4.475 2.313 1.00 0.00 S ATOM 0 H CYS A 47 -1.442 -6.792 1.998 1.00 0.00 H new ATOM 0 HA CYS A 47 1.146 -7.572 1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.626 -5.143 1.489 1.00 0.00 H new ATOM 0 HB3 CYS A 47 0.358 -5.468 0.325 1.00 0.00 H new ATOM 567 N VAL A 48 2.650 -7.534 2.953 1.00 0.00 N ATOM 568 CA VAL A 48 3.552 -7.872 4.039 1.00 0.00 C ATOM 569 C VAL A 48 4.677 -6.841 4.063 1.00 0.00 C ATOM 570 O VAL A 48 5.334 -6.614 3.043 1.00 0.00 O ATOM 571 CB VAL A 48 4.166 -9.294 3.827 1.00 0.00 C ATOM 572 CG1 VAL A 48 5.122 -9.664 4.949 1.00 0.00 C ATOM 573 CG2 VAL A 48 3.072 -10.347 3.690 1.00 0.00 C ATOM 0 H VAL A 48 3.106 -7.535 2.041 1.00 0.00 H new ATOM 0 HA VAL A 48 3.001 -7.871 4.979 1.00 0.00 H new ATOM 0 HB VAL A 48 4.736 -9.265 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.529 -10.659 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.936 -8.940 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.588 -9.659 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.526 -11.327 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.465 -10.360 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.442 -10.108 2.833 1.00 0.00 H new ATOM 583 N GLY A 49 4.907 -6.235 5.204 1.00 0.00 N ATOM 584 CA GLY A 49 5.885 -5.176 5.276 1.00 0.00 C ATOM 585 C GLY A 49 5.347 -3.962 4.575 1.00 0.00 C ATOM 586 O GLY A 49 5.987 -3.379 3.696 1.00 0.00 O ATOM 0 H GLY A 49 4.438 -6.453 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.109 -4.941 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.819 -5.495 4.813 1.00 0.00 H new ATOM 590 N CYS A 50 4.160 -3.601 4.944 1.00 0.00 N ATOM 591 CA CYS A 50 3.461 -2.531 4.322 1.00 0.00 C ATOM 592 C CYS A 50 3.632 -1.237 5.053 1.00 0.00 C ATOM 593 O CYS A 50 3.254 -1.114 6.212 1.00 0.00 O ATOM 594 CB CYS A 50 1.972 -2.838 4.228 1.00 0.00 C ATOM 595 SG CYS A 50 0.977 -1.409 3.732 1.00 0.00 S ATOM 0 H CYS A 50 3.643 -4.051 5.699 1.00 0.00 H new ATOM 0 HA CYS A 50 3.889 -2.428 3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.819 -3.645 3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.621 -3.199 5.195 1.00 0.00 H new ATOM 600 N LYS A 51 4.209 -0.282 4.398 1.00 0.00 N ATOM 601 CA LYS A 51 4.188 1.043 4.910 1.00 0.00 C ATOM 602 C LYS A 51 3.286 1.820 3.991 1.00 0.00 C ATOM 603 O LYS A 51 3.695 2.231 2.917 1.00 0.00 O ATOM 604 CB LYS A 51 5.592 1.676 4.918 1.00 0.00 C ATOM 605 CG LYS A 51 6.643 0.910 5.699 1.00 0.00 C ATOM 606 CD LYS A 51 6.266 0.734 7.157 1.00 0.00 C ATOM 607 CE LYS A 51 7.365 0.012 7.912 1.00 0.00 C ATOM 608 NZ LYS A 51 7.679 -1.307 7.320 1.00 0.00 N ATOM 0 H LYS A 51 4.698 -0.397 3.510 1.00 0.00 H new ATOM 0 HA LYS A 51 3.839 1.048 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.932 1.779 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.517 2.682 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.788 -0.069 5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.595 1.436 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.086 1.708 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.336 0.170 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.264 0.628 7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.062 -0.121 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.252 -1.860 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.795 -1.816 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.211 -1.173 6.436 1.00 0.00 H new ATOM 622 N ASN A 52 2.047 1.916 4.349 1.00 0.00 N ATOM 623 CA ASN A 52 1.108 2.682 3.583 1.00 0.00 C ATOM 624 C ASN A 52 0.732 3.887 4.397 1.00 0.00 C ATOM 625 O ASN A 52 0.004 3.761 5.378 1.00 0.00 O ATOM 626 CB ASN A 52 -0.138 1.868 3.216 1.00 0.00 C ATOM 627 CG ASN A 52 -1.107 2.634 2.314 1.00 0.00 C ATOM 628 OD1 ASN A 52 -1.952 3.363 2.787 1.00 0.00 O ATOM 629 ND2 ASN A 52 -0.996 2.463 1.013 1.00 0.00 N ATOM 0 H ASN A 52 1.654 1.469 5.177 1.00 0.00 H new ATOM 0 HA ASN A 52 1.568 2.978 2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.169 0.950 2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.655 1.574 4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.630 2.950 0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.276 1.844 0.640 1.00 0.00 H new ATOM 636 N PRO A 53 1.250 5.065 4.042 1.00 0.00 N ATOM 637 CA PRO A 53 0.988 6.320 4.775 1.00 0.00 C ATOM 638 C PRO A 53 -0.487 6.753 4.810 1.00 0.00 C ATOM 639 O PRO A 53 -0.819 7.762 5.430 1.00 0.00 O ATOM 640 CB PRO A 53 1.817 7.351 4.006 1.00 0.00 C ATOM 641 CG PRO A 53 2.881 6.548 3.365 1.00 0.00 C ATOM 642 CD PRO A 53 2.211 5.283 2.949 1.00 0.00 C ATOM 0 HA PRO A 53 1.247 6.206 5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.213 7.877 3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.234 8.106 4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.307 7.069 2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.699 6.352 4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.714 5.384 1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.918 4.459 2.858 1.00 0.00 H new ATOM 650 N HIS A 54 -1.356 6.011 4.155 1.00 0.00 N ATOM 651 CA HIS A 54 -2.765 6.342 4.137 1.00 0.00 C ATOM 652 C HIS A 54 -3.478 5.587 5.226 1.00 0.00 C ATOM 653 O HIS A 54 -3.190 4.408 5.486 1.00 0.00 O ATOM 654 CB HIS A 54 -3.429 6.075 2.772 1.00 0.00 C ATOM 655 CG HIS A 54 -2.914 6.929 1.659 1.00 0.00 C ATOM 656 ND1 HIS A 54 -3.443 8.159 1.344 1.00 0.00 N ATOM 657 CD2 HIS A 54 -1.904 6.722 0.781 1.00 0.00 C ATOM 658 CE1 HIS A 54 -2.785 8.672 0.330 1.00 0.00 C ATOM 659 NE2 HIS A 54 -1.843 7.821 -0.035 1.00 0.00 N ATOM 0 H HIS A 54 -1.110 5.173 3.627 1.00 0.00 H new ATOM 0 HA HIS A 54 -2.847 7.414 4.314 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.282 5.028 2.508 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -4.503 6.232 2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.265 5.852 0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.981 9.630 -0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.180 7.959 -0.798 1.00 0.00 H new ATOM 668 N LYS A 55 -4.358 6.266 5.864 1.00 0.00 N ATOM 669 CA LYS A 55 -5.137 5.762 6.955 1.00 0.00 C ATOM 670 C LYS A 55 -6.539 5.447 6.433 1.00 0.00 C ATOM 671 O LYS A 55 -6.911 5.884 5.329 1.00 0.00 O ATOM 672 CB LYS A 55 -5.211 6.880 8.012 1.00 0.00 C ATOM 673 CG LYS A 55 -6.059 6.591 9.236 1.00 0.00 C ATOM 674 CD LYS A 55 -6.233 7.843 10.051 1.00 0.00 C ATOM 675 CE LYS A 55 -7.226 7.656 11.177 1.00 0.00 C ATOM 676 NZ LYS A 55 -7.460 8.921 11.892 1.00 0.00 N ATOM 0 H LYS A 55 -4.572 7.237 5.636 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.701 4.861 7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.197 7.106 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.597 7.779 7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.033 6.208 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.587 5.817 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.270 8.143 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.568 8.653 9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.168 7.281 10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.854 6.904 11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.145 8.765 12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.564 9.264 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.837 9.629 11.230 1.00 0.00 H new ATOM 690 N GLU A 56 -7.295 4.682 7.175 1.00 0.00 N ATOM 691 CA GLU A 56 -8.666 4.457 6.838 1.00 0.00 C ATOM 692 C GLU A 56 -9.506 5.609 7.300 1.00 0.00 C ATOM 693 O GLU A 56 -9.980 5.643 8.439 1.00 0.00 O ATOM 694 CB GLU A 56 -9.180 3.137 7.385 1.00 0.00 C ATOM 695 CG GLU A 56 -8.660 1.956 6.621 1.00 0.00 C ATOM 696 CD GLU A 56 -9.226 1.907 5.225 1.00 0.00 C ATOM 697 OE1 GLU A 56 -8.853 2.731 4.375 1.00 0.00 O ATOM 698 OE2 GLU A 56 -10.047 1.019 4.943 1.00 0.00 O ATOM 0 H GLU A 56 -6.978 4.205 8.019 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.738 4.389 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.891 3.044 8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.270 3.134 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.572 2.004 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.915 1.038 7.150 1.00 0.00 H new ATOM 705 N ASP A 57 -9.613 6.582 6.453 1.00 0.00 N ATOM 706 CA ASP A 57 -10.414 7.737 6.734 1.00 0.00 C ATOM 707 C ASP A 57 -11.786 7.444 6.183 1.00 0.00 C ATOM 708 O ASP A 57 -11.914 6.991 5.030 1.00 0.00 O ATOM 709 CB ASP A 57 -9.819 8.983 6.073 1.00 0.00 C ATOM 710 CG ASP A 57 -10.402 10.263 6.623 1.00 0.00 C ATOM 711 OD1 ASP A 57 -11.549 10.604 6.310 1.00 0.00 O ATOM 712 OD2 ASP A 57 -9.713 10.951 7.417 1.00 0.00 O ATOM 0 H ASP A 57 -9.148 6.601 5.545 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.454 7.938 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.739 8.987 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.995 8.940 4.998 1.00 0.00 H new ATOM 717 N TYR A 58 -12.794 7.622 6.978 1.00 0.00 N ATOM 718 CA TYR A 58 -14.121 7.257 6.571 1.00 0.00 C ATOM 719 C TYR A 58 -15.083 8.326 7.061 1.00 0.00 C ATOM 720 O TYR A 58 -14.793 9.023 8.045 1.00 0.00 O ATOM 721 CB TYR A 58 -14.460 5.886 7.188 1.00 0.00 C ATOM 722 CG TYR A 58 -15.545 5.093 6.483 1.00 0.00 C ATOM 723 CD1 TYR A 58 -16.888 5.254 6.792 1.00 0.00 C ATOM 724 CD2 TYR A 58 -15.206 4.150 5.518 1.00 0.00 C ATOM 725 CE1 TYR A 58 -17.860 4.499 6.163 1.00 0.00 C ATOM 726 CE2 TYR A 58 -16.169 3.397 4.882 1.00 0.00 C ATOM 727 CZ TYR A 58 -17.494 3.573 5.208 1.00 0.00 C ATOM 728 OH TYR A 58 -18.459 2.814 4.580 1.00 0.00 O ATOM 0 H TYR A 58 -12.727 8.019 7.915 1.00 0.00 H new ATOM 0 HA TYR A 58 -14.198 7.183 5.486 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -13.552 5.284 7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -14.764 6.040 8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -17.179 5.981 7.536 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -14.167 4.005 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -18.901 4.633 6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -15.885 2.673 4.132 1.00 0.00 H new ATOM 0 HH TYR A 58 -18.033 2.212 3.935 1.00 0.00 H new ATOM 738 N VAL A 59 -16.181 8.487 6.375 1.00 0.00 N ATOM 739 CA VAL A 59 -17.163 9.455 6.762 1.00 0.00 C ATOM 740 C VAL A 59 -18.256 8.793 7.631 1.00 0.00 C ATOM 741 O VAL A 59 -18.135 8.834 8.865 1.00 0.00 O ATOM 742 CB VAL A 59 -17.735 10.253 5.531 1.00 0.00 C ATOM 743 CG1 VAL A 59 -18.326 9.346 4.452 1.00 0.00 C ATOM 744 CG2 VAL A 59 -18.737 11.317 5.977 1.00 0.00 C ATOM 745 OXT VAL A 59 -19.189 8.174 7.098 1.00 0.00 O ATOM 0 H VAL A 59 -16.417 7.954 5.538 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.677 10.210 7.380 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.886 10.758 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -18.703 9.956 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -17.554 8.673 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.143 8.762 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.114 11.851 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.568 10.839 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.245 12.021 6.648 1.00 0.00 H new TER 755 VAL A 59 HETATM 756 ZN ZN A 101 1.259 -2.750 -1.703 1.00 0.00 ZN HETATM 757 ZN ZN A 102 -2.314 -2.467 -0.768 1.00 0.00 ZN HETATM 758 ZN ZN A 103 0.344 -2.407 1.784 1.00 0.00 ZN