USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 604 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 127:sc= 0.00231 USER MOD Single : A 14 ASN : amide:sc= -3.63! C(o=-3.6!,f=-5.5!) USER MOD Single : A 17 MET CE :methyl -138:sc= -3.28 (180deg=-6.37!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 147:sc= 0.531 USER MOD Single : A 66 THR OG1 : rot 19:sc= 0.573 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.319 K(o=-0.32,f=-3.4!) USER MOD Single : A 77 ASN : amide:sc= 0.00756 K(o=0.0076,f=-0.67) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 61:sc= 0.232 USER MOD Single : A 88 SER OG : rot 39:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.030 19.706 19.615 1.00 0.00 N ATOM 2 CA GLY A 1 -16.132 19.497 18.183 1.00 0.00 C ATOM 3 C GLY A 1 -17.538 19.132 17.750 1.00 0.00 C ATOM 4 O GLY A 1 -17.821 17.972 17.446 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.050 19.953 19.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.664 20.480 19.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.303 18.835 20.113 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.818 20.402 17.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.446 18.704 17.885 1.00 0.00 H new ATOM 8 N SER A 2 -18.424 20.123 17.722 1.00 0.00 N ATOM 9 CA SER A 2 -19.810 19.899 17.327 1.00 0.00 C ATOM 10 C SER A 2 -19.891 18.922 16.158 1.00 0.00 C ATOM 11 O SER A 2 -19.218 19.095 15.143 1.00 0.00 O ATOM 12 CB SER A 2 -20.475 21.224 16.948 1.00 0.00 C ATOM 13 OG SER A 2 -21.786 21.013 16.453 1.00 0.00 O ATOM 0 H SER A 2 -18.207 21.089 17.968 1.00 0.00 H new ATOM 0 HA SER A 2 -20.339 19.466 18.176 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.513 21.878 17.819 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.875 21.733 16.193 1.00 0.00 H new ATOM 0 HG SER A 2 -22.190 21.875 16.220 1.00 0.00 H new ATOM 19 N SER A 3 -20.721 17.895 16.311 1.00 0.00 N ATOM 20 CA SER A 3 -20.889 16.887 15.271 1.00 0.00 C ATOM 21 C SER A 3 -22.086 15.989 15.572 1.00 0.00 C ATOM 22 O SER A 3 -22.227 15.476 16.680 1.00 0.00 O ATOM 23 CB SER A 3 -19.622 16.041 15.142 1.00 0.00 C ATOM 24 OG SER A 3 -19.517 15.472 13.847 1.00 0.00 O ATOM 0 H SER A 3 -21.287 17.739 17.145 1.00 0.00 H new ATOM 0 HA SER A 3 -21.071 17.401 14.327 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.747 16.659 15.343 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.632 15.249 15.891 1.00 0.00 H new ATOM 0 HG SER A 3 -18.698 14.937 13.790 1.00 0.00 H new ATOM 30 N GLY A 4 -22.946 15.806 14.574 1.00 0.00 N ATOM 31 CA GLY A 4 -24.120 14.972 14.751 1.00 0.00 C ATOM 32 C GLY A 4 -24.012 13.655 14.008 1.00 0.00 C ATOM 33 O GLY A 4 -24.054 12.586 14.616 1.00 0.00 O ATOM 0 H GLY A 4 -22.850 16.220 13.647 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.266 14.776 15.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.001 15.511 14.403 1.00 0.00 H new ATOM 37 N SER A 5 -23.874 13.731 12.688 1.00 0.00 N ATOM 38 CA SER A 5 -23.765 12.536 11.860 1.00 0.00 C ATOM 39 C SER A 5 -22.648 12.687 10.832 1.00 0.00 C ATOM 40 O SER A 5 -22.722 13.531 9.938 1.00 0.00 O ATOM 41 CB SER A 5 -25.092 12.259 11.150 1.00 0.00 C ATOM 42 OG SER A 5 -25.222 10.885 10.828 1.00 0.00 O ATOM 0 H SER A 5 -23.835 14.608 12.169 1.00 0.00 H new ATOM 0 HA SER A 5 -23.526 11.694 12.510 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.920 12.566 11.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.153 12.856 10.240 1.00 0.00 H new ATOM 0 HG SER A 5 -26.079 10.734 10.377 1.00 0.00 H new ATOM 48 N SER A 6 -21.614 11.864 10.966 1.00 0.00 N ATOM 49 CA SER A 6 -20.479 11.907 10.051 1.00 0.00 C ATOM 50 C SER A 6 -19.926 10.507 9.805 1.00 0.00 C ATOM 51 O SER A 6 -19.503 9.821 10.735 1.00 0.00 O ATOM 52 CB SER A 6 -19.379 12.811 10.612 1.00 0.00 C ATOM 53 OG SER A 6 -19.853 14.133 10.803 1.00 0.00 O ATOM 0 H SER A 6 -21.538 11.159 11.699 1.00 0.00 H new ATOM 0 HA SER A 6 -20.825 12.314 9.101 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.022 12.409 11.560 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.529 12.821 9.930 1.00 0.00 H new ATOM 0 HG SER A 6 -19.669 14.417 11.723 1.00 0.00 H new ATOM 59 N GLY A 7 -19.931 10.088 8.543 1.00 0.00 N ATOM 60 CA GLY A 7 -19.428 8.772 8.196 1.00 0.00 C ATOM 61 C GLY A 7 -19.756 8.384 6.768 1.00 0.00 C ATOM 62 O GLY A 7 -20.565 7.492 6.514 1.00 0.00 O ATOM 0 H GLY A 7 -20.275 10.637 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.347 8.751 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.852 8.033 8.876 1.00 0.00 H new ATOM 66 N PRO A 8 -19.118 9.066 5.804 1.00 0.00 N ATOM 67 CA PRO A 8 -19.330 8.806 4.377 1.00 0.00 C ATOM 68 C PRO A 8 -18.758 7.461 3.941 1.00 0.00 C ATOM 69 O PRO A 8 -18.929 7.046 2.795 1.00 0.00 O ATOM 70 CB PRO A 8 -18.583 9.952 3.693 1.00 0.00 C ATOM 71 CG PRO A 8 -17.539 10.363 4.674 1.00 0.00 C ATOM 72 CD PRO A 8 -18.139 10.142 6.034 1.00 0.00 C ATOM 0 HA PRO A 8 -20.389 8.759 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.137 9.628 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.254 10.779 3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.631 9.773 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.262 11.408 4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.384 9.849 6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.616 11.045 6.414 1.00 0.00 H new ATOM 80 N ARG A 9 -18.079 6.786 4.862 1.00 0.00 N ATOM 81 CA ARG A 9 -17.480 5.489 4.572 1.00 0.00 C ATOM 82 C ARG A 9 -18.441 4.356 4.922 1.00 0.00 C ATOM 83 O ARG A 9 -19.266 4.487 5.826 1.00 0.00 O ATOM 84 CB ARG A 9 -16.173 5.321 5.349 1.00 0.00 C ATOM 85 CG ARG A 9 -16.375 5.048 6.829 1.00 0.00 C ATOM 86 CD ARG A 9 -16.221 6.315 7.655 1.00 0.00 C ATOM 87 NE ARG A 9 -14.824 6.723 7.778 1.00 0.00 N ATOM 88 CZ ARG A 9 -14.375 7.538 8.726 1.00 0.00 C ATOM 89 NH1 ARG A 9 -15.211 8.029 9.631 1.00 0.00 N ATOM 90 NH2 ARG A 9 -13.089 7.861 8.772 1.00 0.00 N ATOM 0 H ARG A 9 -17.930 7.116 5.816 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.268 5.446 3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.603 4.501 4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.573 6.224 5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.367 4.626 6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.653 4.304 7.165 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.794 7.120 7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.640 6.153 8.648 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.155 6.362 7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.200 7.781 9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.865 8.655 10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.443 7.483 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.746 8.487 9.501 1.00 0.00 H new ATOM 104 N GLU A 10 -18.329 3.246 4.199 1.00 0.00 N ATOM 105 CA GLU A 10 -19.189 2.093 4.433 1.00 0.00 C ATOM 106 C GLU A 10 -18.404 0.949 5.068 1.00 0.00 C ATOM 107 O GLU A 10 -17.304 0.603 4.636 1.00 0.00 O ATOM 108 CB GLU A 10 -19.822 1.625 3.121 1.00 0.00 C ATOM 109 CG GLU A 10 -20.873 2.579 2.578 1.00 0.00 C ATOM 110 CD GLU A 10 -22.022 2.791 3.545 1.00 0.00 C ATOM 111 OE1 GLU A 10 -22.769 1.824 3.800 1.00 0.00 O ATOM 112 OE2 GLU A 10 -22.174 3.926 4.044 1.00 0.00 O ATOM 0 H GLU A 10 -17.651 3.121 3.447 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.979 2.395 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.038 1.498 2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.277 0.646 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.407 3.539 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.262 2.189 1.637 1.00 0.00 H new ATOM 119 N PRO A 11 -18.981 0.346 6.119 1.00 0.00 N ATOM 120 CA PRO A 11 -18.352 -0.768 6.836 1.00 0.00 C ATOM 121 C PRO A 11 -18.312 -2.044 6.003 1.00 0.00 C ATOM 122 O PRO A 11 -19.351 -2.628 5.692 1.00 0.00 O ATOM 123 CB PRO A 11 -19.255 -0.956 8.059 1.00 0.00 C ATOM 124 CG PRO A 11 -20.580 -0.423 7.637 1.00 0.00 C ATOM 125 CD PRO A 11 -20.290 0.706 6.687 1.00 0.00 C ATOM 0 HA PRO A 11 -17.312 -0.558 7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -19.323 -2.006 8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.868 -0.416 8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -21.175 -1.197 7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -21.151 -0.072 8.497 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -21.055 0.787 5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -20.254 1.666 7.202 1.00 0.00 H new ATOM 133 N VAL A 12 -17.106 -2.472 5.645 1.00 0.00 N ATOM 134 CA VAL A 12 -16.929 -3.681 4.848 1.00 0.00 C ATOM 135 C VAL A 12 -15.694 -4.455 5.290 1.00 0.00 C ATOM 136 O VAL A 12 -14.651 -3.868 5.582 1.00 0.00 O ATOM 137 CB VAL A 12 -16.807 -3.352 3.349 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.587 -4.622 2.540 1.00 0.00 C ATOM 139 CG2 VAL A 12 -18.042 -2.609 2.863 1.00 0.00 C ATOM 0 H VAL A 12 -16.237 -2.000 5.894 1.00 0.00 H new ATOM 0 HA VAL A 12 -17.815 -4.296 5.006 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.942 -2.704 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.503 -4.370 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.670 -5.110 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.430 -5.297 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.938 -2.385 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -18.924 -3.230 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -18.150 -1.679 3.421 1.00 0.00 H new ATOM 149 N VAL A 13 -15.816 -5.778 5.338 1.00 0.00 N ATOM 150 CA VAL A 13 -14.708 -6.634 5.743 1.00 0.00 C ATOM 151 C VAL A 13 -13.907 -7.108 4.534 1.00 0.00 C ATOM 152 O VAL A 13 -14.476 -7.499 3.515 1.00 0.00 O ATOM 153 CB VAL A 13 -15.205 -7.862 6.528 1.00 0.00 C ATOM 154 CG1 VAL A 13 -14.202 -9.001 6.430 1.00 0.00 C ATOM 155 CG2 VAL A 13 -15.467 -7.495 7.981 1.00 0.00 C ATOM 0 H VAL A 13 -16.672 -6.280 5.101 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.066 -6.034 6.388 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.143 -8.198 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.571 -9.860 6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.069 -9.280 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.246 -8.681 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.818 -8.375 8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.545 -7.133 8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.226 -6.714 8.028 1.00 0.00 H new ATOM 165 N ASN A 14 -12.585 -7.069 4.655 1.00 0.00 N ATOM 166 CA ASN A 14 -11.706 -7.493 3.571 1.00 0.00 C ATOM 167 C ASN A 14 -10.307 -7.803 4.095 1.00 0.00 C ATOM 168 O ASN A 14 -10.046 -7.704 5.294 1.00 0.00 O ATOM 169 CB ASN A 14 -11.629 -6.410 2.493 1.00 0.00 C ATOM 170 CG ASN A 14 -12.922 -6.284 1.709 1.00 0.00 C ATOM 171 OD1 ASN A 14 -13.712 -5.368 1.939 1.00 0.00 O ATOM 172 ND2 ASN A 14 -13.143 -7.206 0.779 1.00 0.00 N ATOM 0 H ASN A 14 -12.098 -6.748 5.492 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.122 -8.401 3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.395 -5.453 2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -10.813 -6.640 1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.996 -7.173 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.460 -7.947 0.623 1.00 0.00 H new ATOM 179 N ASP A 15 -9.411 -8.178 3.189 1.00 0.00 N ATOM 180 CA ASP A 15 -8.038 -8.502 3.560 1.00 0.00 C ATOM 181 C ASP A 15 -7.079 -7.409 3.097 1.00 0.00 C ATOM 182 O ASP A 15 -6.114 -7.084 3.787 1.00 0.00 O ATOM 183 CB ASP A 15 -7.628 -9.846 2.956 1.00 0.00 C ATOM 184 CG ASP A 15 -7.939 -11.012 3.875 1.00 0.00 C ATOM 185 OD1 ASP A 15 -7.631 -10.916 5.081 1.00 0.00 O ATOM 186 OD2 ASP A 15 -8.489 -12.020 3.386 1.00 0.00 O ATOM 0 H ASP A 15 -9.610 -8.265 2.192 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.987 -8.570 4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.145 -9.987 2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.560 -9.833 2.739 1.00 0.00 H new ATOM 191 N GLU A 16 -7.352 -6.847 1.923 1.00 0.00 N ATOM 192 CA GLU A 16 -6.512 -5.792 1.369 1.00 0.00 C ATOM 193 C GLU A 16 -6.908 -4.429 1.932 1.00 0.00 C ATOM 194 O GLU A 16 -7.165 -3.488 1.181 1.00 0.00 O ATOM 195 CB GLU A 16 -6.617 -5.775 -0.158 1.00 0.00 C ATOM 196 CG GLU A 16 -5.830 -6.885 -0.834 1.00 0.00 C ATOM 197 CD GLU A 16 -6.148 -7.010 -2.311 1.00 0.00 C ATOM 198 OE1 GLU A 16 -7.296 -6.704 -2.698 1.00 0.00 O ATOM 199 OE2 GLU A 16 -5.251 -7.413 -3.080 1.00 0.00 O ATOM 0 H GLU A 16 -8.147 -7.105 1.338 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.480 -5.998 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.666 -5.859 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.263 -4.813 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.764 -6.696 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.045 -7.832 -0.338 1.00 0.00 H new ATOM 206 N MET A 17 -6.952 -4.333 3.256 1.00 0.00 N ATOM 207 CA MET A 17 -7.316 -3.086 3.920 1.00 0.00 C ATOM 208 C MET A 17 -6.363 -2.786 5.072 1.00 0.00 C ATOM 209 O MET A 17 -5.916 -3.694 5.775 1.00 0.00 O ATOM 210 CB MET A 17 -8.754 -3.159 4.437 1.00 0.00 C ATOM 211 CG MET A 17 -9.075 -4.459 5.156 1.00 0.00 C ATOM 212 SD MET A 17 -10.455 -4.293 6.305 1.00 0.00 S ATOM 213 CE MET A 17 -11.784 -3.874 5.180 1.00 0.00 C ATOM 0 H MET A 17 -6.740 -5.103 3.891 1.00 0.00 H new ATOM 0 HA MET A 17 -7.241 -2.279 3.191 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.930 -2.325 5.116 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.440 -3.038 3.598 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.310 -5.228 4.420 1.00 0.00 H new ATOM 0 HG3 MET A 17 -8.193 -4.797 5.700 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.395 -3.084 5.617 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.365 -3.528 4.235 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.402 -4.754 5.003 1.00 0.00 H new ATOM 223 N CYS A 18 -6.053 -1.508 5.261 1.00 0.00 N ATOM 224 CA CYS A 18 -5.153 -1.088 6.328 1.00 0.00 C ATOM 225 C CYS A 18 -5.432 -1.863 7.612 1.00 0.00 C ATOM 226 O CYS A 18 -6.586 -2.032 8.009 1.00 0.00 O ATOM 227 CB CYS A 18 -5.296 0.414 6.583 1.00 0.00 C ATOM 228 SG CYS A 18 -4.067 1.091 7.745 1.00 0.00 S ATOM 0 H CYS A 18 -6.412 -0.744 4.688 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.132 -1.300 6.012 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.212 0.943 5.633 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.295 0.612 6.971 1.00 0.00 H new ATOM 233 N ASP A 19 -4.370 -2.330 8.257 1.00 0.00 N ATOM 234 CA ASP A 19 -4.500 -3.086 9.498 1.00 0.00 C ATOM 235 C ASP A 19 -4.735 -2.152 10.682 1.00 0.00 C ATOM 236 O ASP A 19 -4.810 -2.593 11.828 1.00 0.00 O ATOM 237 CB ASP A 19 -3.247 -3.930 9.740 1.00 0.00 C ATOM 238 CG ASP A 19 -3.452 -4.975 10.819 1.00 0.00 C ATOM 239 OD1 ASP A 19 -4.185 -5.954 10.564 1.00 0.00 O ATOM 240 OD2 ASP A 19 -2.882 -4.814 11.918 1.00 0.00 O ATOM 0 H ASP A 19 -3.409 -2.199 7.942 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.362 -3.747 9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.959 -4.423 8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.422 -3.277 10.023 1.00 0.00 H new ATOM 245 N VAL A 20 -4.850 -0.859 10.394 1.00 0.00 N ATOM 246 CA VAL A 20 -5.077 0.138 11.434 1.00 0.00 C ATOM 247 C VAL A 20 -6.362 0.917 11.178 1.00 0.00 C ATOM 248 O VAL A 20 -6.925 1.523 12.089 1.00 0.00 O ATOM 249 CB VAL A 20 -3.900 1.128 11.529 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.136 2.133 12.646 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.592 0.380 11.740 1.00 0.00 C ATOM 0 H VAL A 20 -4.790 -0.478 9.450 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.165 -0.403 12.376 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.831 1.676 10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.294 2.824 12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.051 2.690 12.447 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.232 1.606 13.595 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.771 1.094 11.805 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.647 -0.195 12.664 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.420 -0.296 10.902 1.00 0.00 H new ATOM 261 N CYS A 21 -6.822 0.895 9.931 1.00 0.00 N ATOM 262 CA CYS A 21 -8.042 1.598 9.554 1.00 0.00 C ATOM 263 C CYS A 21 -9.082 0.626 9.005 1.00 0.00 C ATOM 264 O CYS A 21 -10.282 0.895 9.055 1.00 0.00 O ATOM 265 CB CYS A 21 -7.732 2.674 8.511 1.00 0.00 C ATOM 266 SG CYS A 21 -6.499 3.901 9.051 1.00 0.00 S ATOM 0 H CYS A 21 -6.368 0.398 9.165 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.450 2.073 10.446 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.374 2.191 7.602 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.656 3.192 8.254 1.00 0.00 H new ATOM 271 N GLU A 22 -8.613 -0.501 8.482 1.00 0.00 N ATOM 272 CA GLU A 22 -9.503 -1.513 7.924 1.00 0.00 C ATOM 273 C GLU A 22 -10.273 -0.959 6.728 1.00 0.00 C ATOM 274 O GLU A 22 -11.478 -1.171 6.599 1.00 0.00 O ATOM 275 CB GLU A 22 -10.483 -2.006 8.991 1.00 0.00 C ATOM 276 CG GLU A 22 -9.884 -3.027 9.942 1.00 0.00 C ATOM 277 CD GLU A 22 -10.938 -3.787 10.724 1.00 0.00 C ATOM 278 OE1 GLU A 22 -11.401 -4.836 10.229 1.00 0.00 O ATOM 279 OE2 GLU A 22 -11.301 -3.333 11.829 1.00 0.00 O ATOM 0 H GLU A 22 -7.622 -0.737 8.433 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.893 -2.351 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.840 -1.152 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.351 -2.445 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.278 -3.734 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.216 -2.521 10.638 1.00 0.00 H new ATOM 286 N VAL A 23 -9.566 -0.248 5.856 1.00 0.00 N ATOM 287 CA VAL A 23 -10.181 0.337 4.669 1.00 0.00 C ATOM 288 C VAL A 23 -9.288 0.165 3.446 1.00 0.00 C ATOM 289 O VAL A 23 -8.080 0.389 3.511 1.00 0.00 O ATOM 290 CB VAL A 23 -10.475 1.835 4.870 1.00 0.00 C ATOM 291 CG1 VAL A 23 -11.681 2.027 5.777 1.00 0.00 C ATOM 292 CG2 VAL A 23 -9.255 2.545 5.436 1.00 0.00 C ATOM 0 H VAL A 23 -8.567 -0.063 5.948 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.120 -0.191 4.506 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.707 2.275 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.873 3.092 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.554 1.553 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.482 1.573 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.480 3.603 5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.991 2.104 6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.419 2.438 4.745 1.00 0.00 H new ATOM 302 N TRP A 24 -9.891 -0.235 2.333 1.00 0.00 N ATOM 303 CA TRP A 24 -9.150 -0.437 1.092 1.00 0.00 C ATOM 304 C TRP A 24 -9.574 0.575 0.034 1.00 0.00 C ATOM 305 O TRP A 24 -10.435 1.421 0.277 1.00 0.00 O ATOM 306 CB TRP A 24 -9.366 -1.859 0.572 1.00 0.00 C ATOM 307 CG TRP A 24 -10.591 -2.000 -0.280 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.882 -2.106 0.152 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.639 -2.053 -1.711 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.730 -2.221 -0.923 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.993 -2.190 -2.077 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.671 -1.995 -2.717 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -12.399 -2.271 -3.406 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -10.077 -2.076 -4.036 1.00 0.00 C ATOM 315 CH2 TRP A 24 -11.431 -2.212 -4.371 1.00 0.00 C ATOM 0 H TRP A 24 -10.891 -0.426 2.263 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.090 -0.291 1.302 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.493 -2.163 -0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.441 -2.541 1.419 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.191 -2.100 1.187 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.744 -2.314 -0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.625 -1.889 -2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.442 -2.377 -3.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.338 -2.034 -4.822 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.716 -2.271 -5.411 1.00 0.00 H new ATOM 326 N THR A 25 -8.963 0.484 -1.144 1.00 0.00 N ATOM 327 CA THR A 25 -9.276 1.393 -2.239 1.00 0.00 C ATOM 328 C THR A 25 -9.019 0.735 -3.590 1.00 0.00 C ATOM 329 O THR A 25 -8.153 -0.131 -3.715 1.00 0.00 O ATOM 330 CB THR A 25 -8.449 2.689 -2.147 1.00 0.00 C ATOM 331 OG1 THR A 25 -7.074 2.377 -1.897 1.00 0.00 O ATOM 332 CG2 THR A 25 -8.980 3.591 -1.043 1.00 0.00 C ATOM 0 H THR A 25 -8.249 -0.210 -1.363 1.00 0.00 H new ATOM 0 HA THR A 25 -10.334 1.639 -2.153 1.00 0.00 H new ATOM 0 HB THR A 25 -8.533 3.216 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.555 3.207 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.381 4.500 -0.996 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.018 3.851 -1.253 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.923 3.069 -0.088 1.00 0.00 H new ATOM 340 N ALA A 26 -9.775 1.151 -4.599 1.00 0.00 N ATOM 341 CA ALA A 26 -9.627 0.604 -5.942 1.00 0.00 C ATOM 342 C ALA A 26 -8.190 0.738 -6.434 1.00 0.00 C ATOM 343 O ALA A 26 -7.660 -0.165 -7.080 1.00 0.00 O ATOM 344 CB ALA A 26 -10.582 1.297 -6.904 1.00 0.00 C ATOM 0 H ALA A 26 -10.497 1.866 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.874 -0.457 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.460 0.878 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.608 1.146 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.362 2.364 -6.929 1.00 0.00 H new ATOM 350 N GLU A 27 -7.566 1.869 -6.123 1.00 0.00 N ATOM 351 CA GLU A 27 -6.190 2.121 -6.535 1.00 0.00 C ATOM 352 C GLU A 27 -5.215 1.275 -5.721 1.00 0.00 C ATOM 353 O GLU A 27 -5.613 0.570 -4.794 1.00 0.00 O ATOM 354 CB GLU A 27 -5.850 3.604 -6.378 1.00 0.00 C ATOM 355 CG GLU A 27 -6.187 4.439 -7.603 1.00 0.00 C ATOM 356 CD GLU A 27 -5.054 4.482 -8.609 1.00 0.00 C ATOM 357 OE1 GLU A 27 -4.853 3.477 -9.321 1.00 0.00 O ATOM 358 OE2 GLU A 27 -4.368 5.524 -8.684 1.00 0.00 O ATOM 0 H GLU A 27 -7.991 2.626 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.096 1.844 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.388 4.002 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.786 3.703 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.078 4.032 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.429 5.455 -7.290 1.00 0.00 H new ATOM 365 N SER A 28 -3.937 1.351 -6.075 1.00 0.00 N ATOM 366 CA SER A 28 -2.904 0.590 -5.381 1.00 0.00 C ATOM 367 C SER A 28 -2.743 1.077 -3.945 1.00 0.00 C ATOM 368 O SER A 28 -2.449 2.249 -3.703 1.00 0.00 O ATOM 369 CB SER A 28 -1.571 0.703 -6.123 1.00 0.00 C ATOM 370 OG SER A 28 -1.454 -0.300 -7.117 1.00 0.00 O ATOM 0 H SER A 28 -3.591 1.932 -6.839 1.00 0.00 H new ATOM 0 HA SER A 28 -3.211 -0.456 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.490 1.687 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.748 0.614 -5.414 1.00 0.00 H new ATOM 0 HG SER A 28 -0.594 -0.205 -7.578 1.00 0.00 H new ATOM 376 N LEU A 29 -2.938 0.171 -2.993 1.00 0.00 N ATOM 377 CA LEU A 29 -2.815 0.507 -1.580 1.00 0.00 C ATOM 378 C LEU A 29 -1.358 0.446 -1.130 1.00 0.00 C ATOM 379 O LEU A 29 -0.606 -0.436 -1.546 1.00 0.00 O ATOM 380 CB LEU A 29 -3.662 -0.445 -0.733 1.00 0.00 C ATOM 381 CG LEU A 29 -4.277 0.150 0.534 1.00 0.00 C ATOM 382 CD1 LEU A 29 -5.402 -0.736 1.049 1.00 0.00 C ATOM 383 CD2 LEU A 29 -3.212 0.339 1.606 1.00 0.00 C ATOM 0 H LEU A 29 -3.182 -0.803 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.177 1.526 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.468 -0.834 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.042 -1.294 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.695 1.126 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.827 -0.296 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.176 -0.821 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.009 -1.726 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.668 0.763 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.765 -0.625 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.440 1.014 1.237 1.00 0.00 H new ATOM 395 N PHE A 30 -0.968 1.387 -0.276 1.00 0.00 N ATOM 396 CA PHE A 30 0.398 1.439 0.232 1.00 0.00 C ATOM 397 C PHE A 30 0.564 0.525 1.442 1.00 0.00 C ATOM 398 O PHE A 30 -0.387 0.237 2.169 1.00 0.00 O ATOM 399 CB PHE A 30 0.769 2.874 0.607 1.00 0.00 C ATOM 400 CG PHE A 30 1.207 3.707 -0.564 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.464 3.725 -1.734 1.00 0.00 C ATOM 402 CD2 PHE A 30 2.361 4.471 -0.497 1.00 0.00 C ATOM 403 CE1 PHE A 30 0.865 4.489 -2.814 1.00 0.00 C ATOM 404 CE2 PHE A 30 2.766 5.237 -1.573 1.00 0.00 C ATOM 405 CZ PHE A 30 2.017 5.247 -2.733 1.00 0.00 C ATOM 0 H PHE A 30 -1.578 2.123 0.079 1.00 0.00 H new ATOM 0 HA PHE A 30 1.066 1.092 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.089 3.351 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.570 2.852 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.438 3.136 -1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.951 4.468 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.278 4.493 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.668 5.828 -1.507 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.331 5.846 -3.575 1.00 0.00 H new ATOM 415 N PRO A 31 1.801 0.057 1.664 1.00 0.00 N ATOM 416 CA PRO A 31 2.941 0.393 0.805 1.00 0.00 C ATOM 417 C PRO A 31 2.837 -0.253 -0.573 1.00 0.00 C ATOM 418 O PRO A 31 2.977 0.417 -1.596 1.00 0.00 O ATOM 419 CB PRO A 31 4.140 -0.170 1.571 1.00 0.00 C ATOM 420 CG PRO A 31 3.576 -1.268 2.405 1.00 0.00 C ATOM 421 CD PRO A 31 2.182 -0.836 2.771 1.00 0.00 C ATOM 0 HA PRO A 31 3.006 1.464 0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.905 -0.543 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.610 0.595 2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.561 -2.208 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.181 -1.431 3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.506 -1.687 2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.160 -0.319 3.730 1.00 0.00 H new ATOM 429 N CYS A 32 2.592 -1.558 -0.592 1.00 0.00 N ATOM 430 CA CYS A 32 2.471 -2.296 -1.844 1.00 0.00 C ATOM 431 C CYS A 32 1.109 -2.976 -1.944 1.00 0.00 C ATOM 432 O CYS A 32 0.378 -3.073 -0.958 1.00 0.00 O ATOM 433 CB CYS A 32 3.584 -3.340 -1.956 1.00 0.00 C ATOM 434 SG CYS A 32 4.024 -4.130 -0.375 1.00 0.00 S ATOM 0 H CYS A 32 2.473 -2.127 0.246 1.00 0.00 H new ATOM 0 HA CYS A 32 2.565 -1.586 -2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.275 -4.111 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.472 -2.865 -2.372 1.00 0.00 H new ATOM 439 N ARG A 33 0.775 -3.446 -3.142 1.00 0.00 N ATOM 440 CA ARG A 33 -0.499 -4.117 -3.372 1.00 0.00 C ATOM 441 C ARG A 33 -0.324 -5.633 -3.366 1.00 0.00 C ATOM 442 O ARG A 33 -1.236 -6.372 -2.997 1.00 0.00 O ATOM 443 CB ARG A 33 -1.103 -3.667 -4.703 1.00 0.00 C ATOM 444 CG ARG A 33 -0.171 -3.853 -5.889 1.00 0.00 C ATOM 445 CD ARG A 33 -0.947 -4.082 -7.176 1.00 0.00 C ATOM 446 NE ARG A 33 -0.144 -3.784 -8.360 1.00 0.00 N ATOM 447 CZ ARG A 33 -0.429 -4.237 -9.575 1.00 0.00 C ATOM 448 NH1 ARG A 33 -1.493 -5.005 -9.766 1.00 0.00 N ATOM 449 NH2 ARG A 33 0.350 -3.923 -10.603 1.00 0.00 N ATOM 0 H ARG A 33 1.369 -3.374 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.177 -3.844 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.022 -4.226 -4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.379 -2.615 -4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.463 -2.973 -5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.489 -4.701 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.283 -5.118 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.840 -3.457 -7.177 1.00 0.00 H new ATOM 0 HE ARG A 33 0.681 -3.195 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.094 -5.249 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.710 -5.352 -10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.169 -3.333 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.129 -4.272 -11.536 1.00 0.00 H new ATOM 463 N VAL A 34 0.854 -6.090 -3.780 1.00 0.00 N ATOM 464 CA VAL A 34 1.150 -7.517 -3.823 1.00 0.00 C ATOM 465 C VAL A 34 1.072 -8.136 -2.432 1.00 0.00 C ATOM 466 O VAL A 34 0.387 -9.137 -2.223 1.00 0.00 O ATOM 467 CB VAL A 34 2.547 -7.783 -4.414 1.00 0.00 C ATOM 468 CG1 VAL A 34 2.867 -9.270 -4.377 1.00 0.00 C ATOM 469 CG2 VAL A 34 2.635 -7.245 -5.834 1.00 0.00 C ATOM 0 H VAL A 34 1.619 -5.492 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 34 0.399 -7.977 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 34 3.286 -7.261 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.858 -9.440 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.847 -9.621 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.126 -9.816 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.629 -7.441 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.888 -7.737 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.452 -6.171 -5.828 1.00 0.00 H new ATOM 479 N CYS A 35 1.778 -7.533 -1.482 1.00 0.00 N ATOM 480 CA CYS A 35 1.790 -8.023 -0.109 1.00 0.00 C ATOM 481 C CYS A 35 0.380 -8.044 0.474 1.00 0.00 C ATOM 482 O CYS A 35 -0.218 -6.996 0.721 1.00 0.00 O ATOM 483 CB CYS A 35 2.700 -7.151 0.759 1.00 0.00 C ATOM 484 SG CYS A 35 4.470 -7.557 0.622 1.00 0.00 S ATOM 0 H CYS A 35 2.350 -6.703 -1.638 1.00 0.00 H new ATOM 0 HA CYS A 35 2.176 -9.042 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.555 -6.106 0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.395 -7.251 1.801 1.00 0.00 H new ATOM 489 N THR A 36 -0.146 -9.245 0.692 1.00 0.00 N ATOM 490 CA THR A 36 -1.486 -9.404 1.244 1.00 0.00 C ATOM 491 C THR A 36 -1.716 -8.449 2.410 1.00 0.00 C ATOM 492 O THR A 36 -2.850 -8.066 2.697 1.00 0.00 O ATOM 493 CB THR A 36 -1.730 -10.848 1.721 1.00 0.00 C ATOM 494 OG1 THR A 36 -2.958 -10.920 2.453 1.00 0.00 O ATOM 495 CG2 THR A 36 -0.582 -11.329 2.597 1.00 0.00 C ATOM 0 H THR A 36 0.336 -10.122 0.495 1.00 0.00 H new ATOM 0 HA THR A 36 -2.188 -9.171 0.443 1.00 0.00 H new ATOM 0 HB THR A 36 -1.792 -11.492 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.107 -11.841 2.752 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.776 -12.351 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.347 -11.300 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.494 -10.681 3.469 1.00 0.00 H new ATOM 503 N ARG A 37 -0.633 -8.069 3.080 1.00 0.00 N ATOM 504 CA ARG A 37 -0.717 -7.159 4.216 1.00 0.00 C ATOM 505 C ARG A 37 -0.549 -5.710 3.767 1.00 0.00 C ATOM 506 O ARG A 37 0.550 -5.281 3.417 1.00 0.00 O ATOM 507 CB ARG A 37 0.348 -7.508 5.257 1.00 0.00 C ATOM 508 CG ARG A 37 0.153 -6.803 6.589 1.00 0.00 C ATOM 509 CD ARG A 37 -1.052 -7.350 7.337 1.00 0.00 C ATOM 510 NE ARG A 37 -0.709 -8.515 8.149 1.00 0.00 N ATOM 511 CZ ARG A 37 -0.401 -8.447 9.440 1.00 0.00 C ATOM 512 NH1 ARG A 37 -0.394 -7.276 10.062 1.00 0.00 N ATOM 513 NH2 ARG A 37 -0.100 -9.551 10.110 1.00 0.00 N ATOM 0 H ARG A 37 0.313 -8.377 2.856 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.704 -7.270 4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.343 -8.585 5.422 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.330 -7.251 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.047 -6.924 7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.024 -5.734 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.466 -6.571 7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.829 -7.622 6.623 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.706 -9.431 7.700 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.625 -6.425 9.550 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.157 -7.226 11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.105 -10.453 9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.136 -9.498 11.101 1.00 0.00 H new ATOM 527 N VAL A 38 -1.647 -4.961 3.778 1.00 0.00 N ATOM 528 CA VAL A 38 -1.622 -3.561 3.373 1.00 0.00 C ATOM 529 C VAL A 38 -1.819 -2.638 4.570 1.00 0.00 C ATOM 530 O VAL A 38 -2.715 -2.846 5.387 1.00 0.00 O ATOM 531 CB VAL A 38 -2.709 -3.261 2.324 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.478 -4.082 1.065 1.00 0.00 C ATOM 533 CG2 VAL A 38 -4.092 -3.530 2.898 1.00 0.00 C ATOM 0 H VAL A 38 -2.565 -5.301 4.063 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.642 -3.377 2.934 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.650 -2.206 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.256 -3.856 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.503 -3.836 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.509 -5.143 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.848 -3.313 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.166 -4.576 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.255 -2.894 3.768 1.00 0.00 H new ATOM 543 N PHE A 39 -0.974 -1.617 4.668 1.00 0.00 N ATOM 544 CA PHE A 39 -1.055 -0.661 5.766 1.00 0.00 C ATOM 545 C PHE A 39 -0.565 0.716 5.326 1.00 0.00 C ATOM 546 O PHE A 39 0.507 0.846 4.735 1.00 0.00 O ATOM 547 CB PHE A 39 -0.228 -1.150 6.957 1.00 0.00 C ATOM 548 CG PHE A 39 0.997 -1.922 6.561 1.00 0.00 C ATOM 549 CD1 PHE A 39 2.125 -1.264 6.093 1.00 0.00 C ATOM 550 CD2 PHE A 39 1.024 -3.304 6.655 1.00 0.00 C ATOM 551 CE1 PHE A 39 3.254 -1.971 5.727 1.00 0.00 C ATOM 552 CE2 PHE A 39 2.151 -4.016 6.290 1.00 0.00 C ATOM 553 CZ PHE A 39 3.268 -3.349 5.826 1.00 0.00 C ATOM 0 H PHE A 39 -0.226 -1.430 4.001 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.100 -0.578 6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.072 -0.291 7.557 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.854 -1.778 7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.121 -0.187 6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.154 -3.831 7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.125 -1.447 5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.158 -5.093 6.368 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.150 -3.903 5.541 1.00 0.00 H new ATOM 563 N HIS A 40 -1.360 1.740 5.618 1.00 0.00 N ATOM 564 CA HIS A 40 -1.010 3.109 5.253 1.00 0.00 C ATOM 565 C HIS A 40 0.317 3.517 5.888 1.00 0.00 C ATOM 566 O HIS A 40 0.392 3.756 7.093 1.00 0.00 O ATOM 567 CB HIS A 40 -2.114 4.073 5.685 1.00 0.00 C ATOM 568 CG HIS A 40 -3.467 3.711 5.155 1.00 0.00 C ATOM 569 ND1 HIS A 40 -4.640 4.204 5.685 1.00 0.00 N ATOM 570 CD2 HIS A 40 -3.829 2.899 4.134 1.00 0.00 C ATOM 571 CE1 HIS A 40 -5.666 3.710 5.015 1.00 0.00 C ATOM 572 NE2 HIS A 40 -5.201 2.915 4.069 1.00 0.00 N ATOM 0 H HIS A 40 -2.251 1.648 6.106 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.904 3.155 4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.155 4.101 6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.859 5.078 5.350 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.163 2.343 3.491 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.707 3.921 5.208 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.769 2.397 3.399 1.00 0.00 H new ATOM 580 N ASP A 41 1.359 3.595 5.068 1.00 0.00 N ATOM 581 CA ASP A 41 2.683 3.976 5.550 1.00 0.00 C ATOM 582 C ASP A 41 2.579 5.023 6.654 1.00 0.00 C ATOM 583 O ASP A 41 3.396 5.054 7.573 1.00 0.00 O ATOM 584 CB ASP A 41 3.532 4.514 4.398 1.00 0.00 C ATOM 585 CG ASP A 41 4.309 3.421 3.692 1.00 0.00 C ATOM 586 OD1 ASP A 41 3.757 2.814 2.750 1.00 0.00 O ATOM 587 OD2 ASP A 41 5.470 3.170 4.081 1.00 0.00 O ATOM 0 H ASP A 41 1.314 3.400 4.068 1.00 0.00 H new ATOM 0 HA ASP A 41 3.163 3.088 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.886 5.019 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.228 5.261 4.781 1.00 0.00 H new ATOM 592 N GLY A 42 1.567 5.880 6.557 1.00 0.00 N ATOM 593 CA GLY A 42 1.376 6.918 7.553 1.00 0.00 C ATOM 594 C GLY A 42 0.930 6.362 8.891 1.00 0.00 C ATOM 595 O GLY A 42 1.557 6.619 9.919 1.00 0.00 O ATOM 0 H GLY A 42 0.876 5.874 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.308 7.468 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.634 7.630 7.193 1.00 0.00 H new ATOM 599 N CYS A 43 -0.158 5.599 8.880 1.00 0.00 N ATOM 600 CA CYS A 43 -0.690 5.007 10.101 1.00 0.00 C ATOM 601 C CYS A 43 0.423 4.370 10.927 1.00 0.00 C ATOM 602 O CYS A 43 0.379 4.374 12.158 1.00 0.00 O ATOM 603 CB CYS A 43 -1.753 3.959 9.764 1.00 0.00 C ATOM 604 SG CYS A 43 -3.406 4.653 9.442 1.00 0.00 S ATOM 0 H CYS A 43 -0.689 5.376 8.038 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.147 5.802 10.691 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.429 3.398 8.887 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.823 3.250 10.589 1.00 0.00 H new ATOM 609 N LEU A 44 1.421 3.824 10.242 1.00 0.00 N ATOM 610 CA LEU A 44 2.548 3.184 10.911 1.00 0.00 C ATOM 611 C LEU A 44 3.411 4.214 11.632 1.00 0.00 C ATOM 612 O LEU A 44 3.583 4.152 12.850 1.00 0.00 O ATOM 613 CB LEU A 44 3.396 2.411 9.899 1.00 0.00 C ATOM 614 CG LEU A 44 2.644 1.413 9.017 1.00 0.00 C ATOM 615 CD1 LEU A 44 3.499 1.002 7.829 1.00 0.00 C ATOM 616 CD2 LEU A 44 2.229 0.192 9.826 1.00 0.00 C ATOM 0 H LEU A 44 1.473 3.812 9.223 1.00 0.00 H new ATOM 0 HA LEU A 44 2.151 2.488 11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.899 3.130 9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.173 1.872 10.442 1.00 0.00 H new ATOM 0 HG LEU A 44 1.743 1.897 8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.948 0.292 7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.745 1.883 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.418 0.536 8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.695 -0.507 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.116 -0.294 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.578 0.501 10.644 1.00 0.00 H new ATOM 628 N ARG A 45 3.950 5.162 10.873 1.00 0.00 N ATOM 629 CA ARG A 45 4.794 6.207 11.439 1.00 0.00 C ATOM 630 C ARG A 45 4.060 6.959 12.545 1.00 0.00 C ATOM 631 O ARG A 45 4.660 7.358 13.543 1.00 0.00 O ATOM 632 CB ARG A 45 5.234 7.186 10.348 1.00 0.00 C ATOM 633 CG ARG A 45 4.164 8.198 9.970 1.00 0.00 C ATOM 634 CD ARG A 45 4.756 9.376 9.213 1.00 0.00 C ATOM 635 NE ARG A 45 5.191 10.442 10.110 1.00 0.00 N ATOM 636 CZ ARG A 45 4.366 11.335 10.645 1.00 0.00 C ATOM 637 NH1 ARG A 45 3.069 11.290 10.374 1.00 0.00 N ATOM 638 NH2 ARG A 45 4.838 12.275 11.454 1.00 0.00 N ATOM 0 H ARG A 45 3.817 5.228 9.864 1.00 0.00 H new ATOM 0 HA ARG A 45 5.676 5.732 11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.123 7.719 10.687 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.519 6.623 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.404 7.714 9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.666 8.556 10.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.603 9.035 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.015 9.768 8.517 1.00 0.00 H new ATOM 0 HE ARG A 45 6.183 10.505 10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.702 10.568 9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.438 11.977 10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.835 12.312 11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.204 12.960 11.864 1.00 0.00 H new ATOM 652 N ARG A 46 2.758 7.150 12.360 1.00 0.00 N ATOM 653 CA ARG A 46 1.941 7.855 13.341 1.00 0.00 C ATOM 654 C ARG A 46 1.812 7.043 14.626 1.00 0.00 C ATOM 655 O ARG A 46 2.227 7.487 15.696 1.00 0.00 O ATOM 656 CB ARG A 46 0.553 8.145 12.767 1.00 0.00 C ATOM 657 CG ARG A 46 -0.111 9.372 13.371 1.00 0.00 C ATOM 658 CD ARG A 46 -0.912 9.016 14.614 1.00 0.00 C ATOM 659 NE ARG A 46 -1.410 10.204 15.302 1.00 0.00 N ATOM 660 CZ ARG A 46 -0.668 10.949 16.113 1.00 0.00 C ATOM 661 NH1 ARG A 46 0.600 10.631 16.337 1.00 0.00 N ATOM 662 NH2 ARG A 46 -1.194 12.016 16.703 1.00 0.00 N ATOM 0 H ARG A 46 2.246 6.826 11.539 1.00 0.00 H new ATOM 0 HA ARG A 46 2.434 8.798 13.576 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.636 8.281 11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.087 7.278 12.931 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.649 10.110 13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.768 9.832 12.633 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.752 8.380 14.334 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.287 8.438 15.295 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.381 10.477 15.151 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.008 9.812 15.886 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.167 11.205 16.960 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.169 12.264 16.533 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.623 12.588 17.326 1.00 0.00 H new ATOM 676 N MET A 47 1.233 5.852 14.511 1.00 0.00 N ATOM 677 CA MET A 47 1.051 4.977 15.664 1.00 0.00 C ATOM 678 C MET A 47 2.355 4.819 16.438 1.00 0.00 C ATOM 679 O MET A 47 2.433 5.159 17.618 1.00 0.00 O ATOM 680 CB MET A 47 0.540 3.607 15.216 1.00 0.00 C ATOM 681 CG MET A 47 -0.917 3.614 14.782 1.00 0.00 C ATOM 682 SD MET A 47 -2.056 3.728 16.176 1.00 0.00 S ATOM 683 CE MET A 47 -2.368 1.994 16.501 1.00 0.00 C ATOM 0 H MET A 47 0.882 5.471 13.632 1.00 0.00 H new ATOM 0 HA MET A 47 0.312 5.434 16.322 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.155 3.251 14.389 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.664 2.897 16.034 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.088 4.454 14.109 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.129 2.705 14.218 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.058 1.899 17.340 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.806 1.531 15.617 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.430 1.495 16.744 1.00 0.00 H new ATOM 693 N GLY A 48 3.378 4.299 15.766 1.00 0.00 N ATOM 694 CA GLY A 48 4.664 4.103 16.408 1.00 0.00 C ATOM 695 C GLY A 48 5.225 2.714 16.172 1.00 0.00 C ATOM 696 O GLY A 48 5.537 1.994 17.120 1.00 0.00 O ATOM 0 H GLY A 48 3.339 4.010 14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.370 4.845 16.034 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.561 4.273 17.480 1.00 0.00 H new ATOM 700 N TYR A 49 5.353 2.337 14.905 1.00 0.00 N ATOM 701 CA TYR A 49 5.876 1.024 14.547 1.00 0.00 C ATOM 702 C TYR A 49 7.228 1.147 13.852 1.00 0.00 C ATOM 703 O TYR A 49 8.262 0.781 14.412 1.00 0.00 O ATOM 704 CB TYR A 49 4.888 0.288 13.640 1.00 0.00 C ATOM 705 CG TYR A 49 3.643 -0.184 14.357 1.00 0.00 C ATOM 706 CD1 TYR A 49 3.660 -1.335 15.134 1.00 0.00 C ATOM 707 CD2 TYR A 49 2.450 0.521 14.258 1.00 0.00 C ATOM 708 CE1 TYR A 49 2.525 -1.772 15.790 1.00 0.00 C ATOM 709 CE2 TYR A 49 1.311 0.093 14.912 1.00 0.00 C ATOM 710 CZ TYR A 49 1.354 -1.053 15.677 1.00 0.00 C ATOM 711 OH TYR A 49 0.221 -1.484 16.328 1.00 0.00 O ATOM 0 H TYR A 49 5.102 2.922 14.108 1.00 0.00 H new ATOM 0 HA TYR A 49 6.011 0.452 15.465 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.598 0.948 12.822 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.388 -0.572 13.194 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.577 -1.899 15.227 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.412 1.419 13.659 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.555 -2.671 16.388 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.392 0.653 14.824 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.516 -0.865 16.146 1.00 0.00 H new ATOM 721 N ILE A 50 7.211 1.665 12.629 1.00 0.00 N ATOM 722 CA ILE A 50 8.435 1.838 11.856 1.00 0.00 C ATOM 723 C ILE A 50 9.626 2.115 12.767 1.00 0.00 C ATOM 724 O ILE A 50 10.664 1.463 12.662 1.00 0.00 O ATOM 725 CB ILE A 50 8.302 2.989 10.840 1.00 0.00 C ATOM 726 CG1 ILE A 50 6.876 3.049 10.289 1.00 0.00 C ATOM 727 CG2 ILE A 50 9.306 2.817 9.711 1.00 0.00 C ATOM 728 CD1 ILE A 50 6.719 4.001 9.124 1.00 0.00 C ATOM 0 H ILE A 50 6.364 1.972 12.152 1.00 0.00 H new ATOM 0 HA ILE A 50 8.602 0.906 11.317 1.00 0.00 H new ATOM 0 HB ILE A 50 8.515 3.930 11.348 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.574 2.050 9.975 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.199 3.350 11.088 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.200 3.638 9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.317 2.819 10.119 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.122 1.871 9.202 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.683 3.993 8.784 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.990 5.009 9.439 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.371 3.688 8.308 1.00 0.00 H new ATOM 740 N GLN A 51 9.466 3.085 13.663 1.00 0.00 N ATOM 741 CA GLN A 51 10.528 3.446 14.593 1.00 0.00 C ATOM 742 C GLN A 51 10.016 3.445 16.030 1.00 0.00 C ATOM 743 O GLN A 51 8.815 3.565 16.272 1.00 0.00 O ATOM 744 CB GLN A 51 11.096 4.823 14.242 1.00 0.00 C ATOM 745 CG GLN A 51 12.255 4.770 13.260 1.00 0.00 C ATOM 746 CD GLN A 51 12.365 6.027 12.420 1.00 0.00 C ATOM 747 OE1 GLN A 51 12.776 7.080 12.908 1.00 0.00 O ATOM 748 NE2 GLN A 51 11.998 5.923 11.148 1.00 0.00 N ATOM 0 H GLN A 51 8.612 3.634 13.764 1.00 0.00 H new ATOM 0 HA GLN A 51 11.320 2.702 14.508 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.301 5.438 13.820 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.428 5.314 15.157 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.185 4.622 13.809 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.131 3.909 12.604 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.663 5.030 10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.051 6.736 10.534 1.00 0.00 H new ATOM 757 N GLY A 52 10.936 3.310 16.981 1.00 0.00 N ATOM 758 CA GLY A 52 10.558 3.297 18.382 1.00 0.00 C ATOM 759 C GLY A 52 11.666 3.797 19.287 1.00 0.00 C ATOM 760 O GLY A 52 11.764 4.994 19.556 1.00 0.00 O ATOM 0 H GLY A 52 11.936 3.209 16.806 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.672 3.916 18.522 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.286 2.282 18.672 1.00 0.00 H new ATOM 764 N ASP A 53 12.501 2.879 19.759 1.00 0.00 N ATOM 765 CA ASP A 53 13.609 3.232 20.639 1.00 0.00 C ATOM 766 C ASP A 53 14.921 3.298 19.865 1.00 0.00 C ATOM 767 O ASP A 53 15.968 2.886 20.362 1.00 0.00 O ATOM 768 CB ASP A 53 13.725 2.220 21.779 1.00 0.00 C ATOM 769 CG ASP A 53 14.480 0.971 21.370 1.00 0.00 C ATOM 770 OD1 ASP A 53 14.190 0.434 20.279 1.00 0.00 O ATOM 771 OD2 ASP A 53 15.359 0.529 22.138 1.00 0.00 O ATOM 0 H ASP A 53 12.432 1.884 19.547 1.00 0.00 H new ATOM 0 HA ASP A 53 13.407 4.218 21.058 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.231 2.686 22.625 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.727 1.943 22.118 1.00 0.00 H new ATOM 776 N SER A 54 14.855 3.817 18.643 1.00 0.00 N ATOM 777 CA SER A 54 16.037 3.932 17.796 1.00 0.00 C ATOM 778 C SER A 54 15.874 5.065 16.787 1.00 0.00 C ATOM 779 O SER A 54 14.764 5.534 16.537 1.00 0.00 O ATOM 780 CB SER A 54 16.296 2.614 17.064 1.00 0.00 C ATOM 781 OG SER A 54 17.649 2.513 16.659 1.00 0.00 O ATOM 0 H SER A 54 13.996 4.165 18.217 1.00 0.00 H new ATOM 0 HA SER A 54 16.891 4.158 18.434 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.045 1.777 17.716 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.646 2.545 16.192 1.00 0.00 H new ATOM 0 HG SER A 54 17.789 1.661 16.195 1.00 0.00 H new ATOM 787 N ALA A 55 16.990 5.498 16.208 1.00 0.00 N ATOM 788 CA ALA A 55 16.972 6.573 15.225 1.00 0.00 C ATOM 789 C ALA A 55 17.749 6.184 13.972 1.00 0.00 C ATOM 790 O ALA A 55 18.476 5.191 13.964 1.00 0.00 O ATOM 791 CB ALA A 55 17.543 7.849 15.826 1.00 0.00 C ATOM 0 H ALA A 55 17.917 5.120 16.403 1.00 0.00 H new ATOM 0 HA ALA A 55 15.936 6.751 14.939 1.00 0.00 H new ATOM 0 HB1 ALA A 55 17.523 8.643 15.080 1.00 0.00 H new ATOM 0 HB2 ALA A 55 16.944 8.145 16.687 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.571 7.674 16.142 1.00 0.00 H new ATOM 797 N ALA A 56 17.590 6.972 12.913 1.00 0.00 N ATOM 798 CA ALA A 56 18.278 6.710 11.655 1.00 0.00 C ATOM 799 C ALA A 56 18.083 7.860 10.673 1.00 0.00 C ATOM 800 O ALA A 56 17.310 8.781 10.929 1.00 0.00 O ATOM 801 CB ALA A 56 17.787 5.404 11.047 1.00 0.00 C ATOM 0 H ALA A 56 16.990 7.797 12.902 1.00 0.00 H new ATOM 0 HA ALA A 56 19.344 6.622 11.864 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.309 5.221 10.108 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.984 4.584 11.738 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.715 5.470 10.859 1.00 0.00 H new ATOM 807 N GLU A 57 18.791 7.799 9.550 1.00 0.00 N ATOM 808 CA GLU A 57 18.696 8.838 8.530 1.00 0.00 C ATOM 809 C GLU A 57 17.996 8.311 7.281 1.00 0.00 C ATOM 810 O GLU A 57 18.643 7.862 6.335 1.00 0.00 O ATOM 811 CB GLU A 57 20.089 9.355 8.167 1.00 0.00 C ATOM 812 CG GLU A 57 21.167 8.286 8.213 1.00 0.00 C ATOM 813 CD GLU A 57 22.460 8.733 7.558 1.00 0.00 C ATOM 814 OE1 GLU A 57 22.393 9.336 6.467 1.00 0.00 O ATOM 815 OE2 GLU A 57 23.537 8.478 8.135 1.00 0.00 O ATOM 0 H GLU A 57 19.436 7.042 9.323 1.00 0.00 H new ATOM 0 HA GLU A 57 18.106 9.659 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.058 9.785 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 57 20.358 10.160 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.364 8.018 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.804 7.387 7.715 1.00 0.00 H new ATOM 822 N VAL A 58 16.668 8.369 7.286 1.00 0.00 N ATOM 823 CA VAL A 58 15.878 7.898 6.153 1.00 0.00 C ATOM 824 C VAL A 58 14.809 8.916 5.769 1.00 0.00 C ATOM 825 O VAL A 58 14.536 9.858 6.513 1.00 0.00 O ATOM 826 CB VAL A 58 15.200 6.550 6.463 1.00 0.00 C ATOM 827 CG1 VAL A 58 16.233 5.521 6.899 1.00 0.00 C ATOM 828 CG2 VAL A 58 14.127 6.726 7.527 1.00 0.00 C ATOM 0 H VAL A 58 16.116 8.737 8.061 1.00 0.00 H new ATOM 0 HA VAL A 58 16.567 7.766 5.319 1.00 0.00 H new ATOM 0 HB VAL A 58 14.721 6.186 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.736 4.575 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.961 5.375 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.743 5.875 7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.658 5.764 7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.580 7.113 8.440 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.373 7.428 7.171 1.00 0.00 H new ATOM 838 N THR A 59 14.206 8.718 4.601 1.00 0.00 N ATOM 839 CA THR A 59 13.167 9.618 4.116 1.00 0.00 C ATOM 840 C THR A 59 11.844 8.883 3.931 1.00 0.00 C ATOM 841 O THR A 59 10.777 9.492 3.955 1.00 0.00 O ATOM 842 CB THR A 59 13.569 10.272 2.780 1.00 0.00 C ATOM 843 OG1 THR A 59 14.892 10.809 2.877 1.00 0.00 O ATOM 844 CG2 THR A 59 12.593 11.377 2.405 1.00 0.00 C ATOM 0 H THR A 59 14.419 7.943 3.974 1.00 0.00 H new ATOM 0 HA THR A 59 13.045 10.395 4.871 1.00 0.00 H new ATOM 0 HB THR A 59 13.544 9.508 2.003 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.141 11.221 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.896 11.825 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.591 10.959 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.591 12.140 3.183 1.00 0.00 H new ATOM 852 N GLU A 60 11.924 7.569 3.748 1.00 0.00 N ATOM 853 CA GLU A 60 10.732 6.750 3.560 1.00 0.00 C ATOM 854 C GLU A 60 10.006 7.135 2.274 1.00 0.00 C ATOM 855 O GLU A 60 8.787 7.308 2.265 1.00 0.00 O ATOM 856 CB GLU A 60 9.789 6.900 4.755 1.00 0.00 C ATOM 857 CG GLU A 60 10.061 5.907 5.873 1.00 0.00 C ATOM 858 CD GLU A 60 8.990 5.930 6.947 1.00 0.00 C ATOM 859 OE1 GLU A 60 9.113 6.739 7.890 1.00 0.00 O ATOM 860 OE2 GLU A 60 8.030 5.139 6.842 1.00 0.00 O ATOM 0 H GLU A 60 12.801 7.049 3.726 1.00 0.00 H new ATOM 0 HA GLU A 60 11.046 5.709 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.875 7.912 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.761 6.778 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.128 4.903 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.028 6.130 6.324 1.00 0.00 H new ATOM 867 N MET A 61 10.764 7.269 1.189 1.00 0.00 N ATOM 868 CA MET A 61 10.193 7.633 -0.102 1.00 0.00 C ATOM 869 C MET A 61 9.237 6.551 -0.597 1.00 0.00 C ATOM 870 O MET A 61 9.667 5.508 -1.088 1.00 0.00 O ATOM 871 CB MET A 61 11.304 7.858 -1.129 1.00 0.00 C ATOM 872 CG MET A 61 12.138 9.099 -0.860 1.00 0.00 C ATOM 873 SD MET A 61 11.273 10.623 -1.284 1.00 0.00 S ATOM 874 CE MET A 61 12.600 11.573 -2.022 1.00 0.00 C ATOM 0 H MET A 61 11.775 7.131 1.179 1.00 0.00 H new ATOM 0 HA MET A 61 9.632 8.559 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 61 11.958 6.986 -1.141 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.860 7.937 -2.121 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.415 9.124 0.194 1.00 0.00 H new ATOM 0 HG3 MET A 61 13.064 9.040 -1.432 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.220 12.545 -2.336 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.397 11.713 -1.292 1.00 0.00 H new ATOM 0 HE3 MET A 61 12.992 11.039 -2.888 1.00 0.00 H new ATOM 884 N ALA A 62 7.940 6.810 -0.465 1.00 0.00 N ATOM 885 CA ALA A 62 6.924 5.860 -0.902 1.00 0.00 C ATOM 886 C ALA A 62 5.945 6.511 -1.872 1.00 0.00 C ATOM 887 O ALA A 62 5.638 5.954 -2.927 1.00 0.00 O ATOM 888 CB ALA A 62 6.182 5.293 0.299 1.00 0.00 C ATOM 0 H ALA A 62 7.568 7.669 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 62 7.424 5.045 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.426 4.585 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.888 4.783 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.700 6.104 0.845 1.00 0.00 H new ATOM 894 N HIS A 63 5.457 7.693 -1.509 1.00 0.00 N ATOM 895 CA HIS A 63 4.511 8.420 -2.349 1.00 0.00 C ATOM 896 C HIS A 63 5.211 9.012 -3.568 1.00 0.00 C ATOM 897 O HIS A 63 4.704 8.935 -4.687 1.00 0.00 O ATOM 898 CB HIS A 63 3.833 9.530 -1.545 1.00 0.00 C ATOM 899 CG HIS A 63 2.659 9.059 -0.743 1.00 0.00 C ATOM 900 ND1 HIS A 63 1.383 8.972 -1.257 1.00 0.00 N ATOM 901 CD2 HIS A 63 2.575 8.645 0.542 1.00 0.00 C ATOM 902 CE1 HIS A 63 0.563 8.527 -0.321 1.00 0.00 C ATOM 903 NE2 HIS A 63 1.262 8.320 0.780 1.00 0.00 N ATOM 0 H HIS A 63 5.701 8.168 -0.640 1.00 0.00 H new ATOM 0 HA HIS A 63 3.753 7.717 -2.694 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.565 9.979 -0.873 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.505 10.313 -2.228 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.389 8.582 1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.498 8.361 -0.437 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.888 7.975 1.664 1.00 0.00 H new ATOM 911 N THR A 64 6.379 9.606 -3.344 1.00 0.00 N ATOM 912 CA THR A 64 7.148 10.213 -4.423 1.00 0.00 C ATOM 913 C THR A 64 7.376 9.224 -5.560 1.00 0.00 C ATOM 914 O THR A 64 7.214 8.016 -5.386 1.00 0.00 O ATOM 915 CB THR A 64 8.511 10.725 -3.923 1.00 0.00 C ATOM 916 OG1 THR A 64 8.340 11.472 -2.713 1.00 0.00 O ATOM 917 CG2 THR A 64 9.180 11.600 -4.973 1.00 0.00 C ATOM 0 H THR A 64 6.813 9.680 -2.424 1.00 0.00 H new ATOM 0 HA THR A 64 6.564 11.057 -4.790 1.00 0.00 H new ATOM 0 HB THR A 64 9.149 9.862 -3.731 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.124 11.347 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.141 11.950 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.336 11.021 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.543 12.457 -5.192 1.00 0.00 H new ATOM 925 N GLU A 65 7.754 9.743 -6.723 1.00 0.00 N ATOM 926 CA GLU A 65 8.004 8.903 -7.889 1.00 0.00 C ATOM 927 C GLU A 65 8.770 7.643 -7.498 1.00 0.00 C ATOM 928 O GLU A 65 9.343 7.563 -6.410 1.00 0.00 O ATOM 929 CB GLU A 65 8.789 9.681 -8.947 1.00 0.00 C ATOM 930 CG GLU A 65 8.827 8.997 -10.303 1.00 0.00 C ATOM 931 CD GLU A 65 9.177 9.950 -11.429 1.00 0.00 C ATOM 932 OE1 GLU A 65 10.337 10.409 -11.481 1.00 0.00 O ATOM 933 OE2 GLU A 65 8.289 10.238 -12.260 1.00 0.00 O ATOM 0 H GLU A 65 7.894 10.741 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 65 7.041 8.608 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.346 10.670 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.810 9.827 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.557 8.188 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.856 8.544 -10.504 1.00 0.00 H new ATOM 940 N THR A 66 8.776 6.659 -8.391 1.00 0.00 N ATOM 941 CA THR A 66 9.468 5.401 -8.139 1.00 0.00 C ATOM 942 C THR A 66 9.258 4.936 -6.703 1.00 0.00 C ATOM 943 O THR A 66 10.202 4.525 -6.030 1.00 0.00 O ATOM 944 CB THR A 66 10.980 5.528 -8.411 1.00 0.00 C ATOM 945 OG1 THR A 66 11.529 6.596 -7.631 1.00 0.00 O ATOM 946 CG2 THR A 66 11.244 5.783 -9.887 1.00 0.00 C ATOM 0 H THR A 66 8.309 6.709 -9.296 1.00 0.00 H new ATOM 0 HA THR A 66 9.044 4.664 -8.821 1.00 0.00 H new ATOM 0 HB THR A 66 11.458 4.590 -8.130 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.923 6.804 -6.889 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.318 5.869 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.850 4.955 -10.476 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.754 6.708 -10.190 1.00 0.00 H new ATOM 954 N GLY A 67 8.014 5.004 -6.240 1.00 0.00 N ATOM 955 CA GLY A 67 7.703 4.585 -4.885 1.00 0.00 C ATOM 956 C GLY A 67 8.541 3.404 -4.437 1.00 0.00 C ATOM 957 O GLY A 67 8.713 2.439 -5.181 1.00 0.00 O ATOM 0 H GLY A 67 7.216 5.341 -6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.864 5.420 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.647 4.322 -4.823 1.00 0.00 H new ATOM 961 N TRP A 68 9.063 3.480 -3.219 1.00 0.00 N ATOM 962 CA TRP A 68 9.890 2.409 -2.673 1.00 0.00 C ATOM 963 C TRP A 68 9.042 1.190 -2.328 1.00 0.00 C ATOM 964 O TRP A 68 7.948 1.318 -1.780 1.00 0.00 O ATOM 965 CB TRP A 68 10.636 2.896 -1.429 1.00 0.00 C ATOM 966 CG TRP A 68 11.414 1.815 -0.742 1.00 0.00 C ATOM 967 CD1 TRP A 68 11.258 1.385 0.544 1.00 0.00 C ATOM 968 CD2 TRP A 68 12.469 1.029 -1.305 1.00 0.00 C ATOM 969 NE1 TRP A 68 12.155 0.379 0.815 1.00 0.00 N ATOM 970 CE2 TRP A 68 12.908 0.141 -0.304 1.00 0.00 C ATOM 971 CE3 TRP A 68 13.085 0.987 -2.558 1.00 0.00 C ATOM 972 CZ2 TRP A 68 13.934 -0.775 -0.519 1.00 0.00 C ATOM 973 CZ3 TRP A 68 14.104 0.077 -2.771 1.00 0.00 C ATOM 974 CH2 TRP A 68 14.520 -0.794 -1.755 1.00 0.00 C ATOM 0 H TRP A 68 8.929 4.272 -2.590 1.00 0.00 H new ATOM 0 HA TRP A 68 10.616 2.120 -3.433 1.00 0.00 H new ATOM 0 HB2 TRP A 68 11.316 3.699 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 68 9.918 3.320 -0.726 1.00 0.00 H new ATOM 0 HD1 TRP A 68 10.536 1.777 1.245 1.00 0.00 H new ATOM 0 HE1 TRP A 68 12.245 -0.111 1.705 1.00 0.00 H new ATOM 0 HE3 TRP A 68 12.771 1.654 -3.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 14.256 -1.447 0.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 14.587 0.037 -3.736 1.00 0.00 H new ATOM 0 HH2 TRP A 68 15.319 -1.494 -1.952 1.00 0.00 H new ATOM 985 N SER A 69 9.555 0.008 -2.654 1.00 0.00 N ATOM 986 CA SER A 69 8.843 -1.236 -2.381 1.00 0.00 C ATOM 987 C SER A 69 9.110 -1.714 -0.957 1.00 0.00 C ATOM 988 O SER A 69 10.219 -1.574 -0.440 1.00 0.00 O ATOM 989 CB SER A 69 9.259 -2.316 -3.381 1.00 0.00 C ATOM 990 OG SER A 69 10.649 -2.578 -3.300 1.00 0.00 O ATOM 0 H SER A 69 10.460 -0.115 -3.107 1.00 0.00 H new ATOM 0 HA SER A 69 7.775 -1.045 -2.487 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.701 -3.232 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.004 -1.998 -4.392 1.00 0.00 H new ATOM 0 HG SER A 69 10.889 -3.273 -3.948 1.00 0.00 H new ATOM 996 N CYS A 70 8.086 -2.280 -0.328 1.00 0.00 N ATOM 997 CA CYS A 70 8.208 -2.780 1.037 1.00 0.00 C ATOM 998 C CYS A 70 9.367 -3.764 1.154 1.00 0.00 C ATOM 999 O CYS A 70 10.148 -3.935 0.217 1.00 0.00 O ATOM 1000 CB CYS A 70 6.905 -3.455 1.472 1.00 0.00 C ATOM 1001 SG CYS A 70 6.856 -5.248 1.157 1.00 0.00 S ATOM 0 H CYS A 70 7.162 -2.404 -0.741 1.00 0.00 H new ATOM 0 HA CYS A 70 8.407 -1.932 1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.756 -3.280 2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.072 -2.982 0.951 1.00 0.00 H new ATOM 1006 N HIS A 71 9.474 -4.410 2.311 1.00 0.00 N ATOM 1007 CA HIS A 71 10.538 -5.378 2.552 1.00 0.00 C ATOM 1008 C HIS A 71 10.242 -6.696 1.843 1.00 0.00 C ATOM 1009 O HIS A 71 10.940 -7.076 0.902 1.00 0.00 O ATOM 1010 CB HIS A 71 10.708 -5.618 4.051 1.00 0.00 C ATOM 1011 CG HIS A 71 11.834 -6.547 4.385 1.00 0.00 C ATOM 1012 ND1 HIS A 71 11.656 -7.894 4.618 1.00 0.00 N ATOM 1013 CD2 HIS A 71 13.162 -6.316 4.523 1.00 0.00 C ATOM 1014 CE1 HIS A 71 12.824 -8.452 4.886 1.00 0.00 C ATOM 1015 NE2 HIS A 71 13.754 -7.515 4.834 1.00 0.00 N ATOM 0 H HIS A 71 8.836 -4.280 3.097 1.00 0.00 H new ATOM 0 HA HIS A 71 11.466 -4.970 2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.877 -4.662 4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.780 -6.025 4.453 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.662 -5.365 4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.990 -9.496 5.109 1.00 0.00 H new ATOM 0 HE2 HIS A 71 14.750 -7.659 4.998 1.00 0.00 H new ATOM 1023 N TYR A 72 9.207 -7.389 2.302 1.00 0.00 N ATOM 1024 CA TYR A 72 8.822 -8.667 1.714 1.00 0.00 C ATOM 1025 C TYR A 72 8.875 -8.604 0.191 1.00 0.00 C ATOM 1026 O TYR A 72 8.993 -9.630 -0.481 1.00 0.00 O ATOM 1027 CB TYR A 72 7.416 -9.059 2.171 1.00 0.00 C ATOM 1028 CG TYR A 72 7.234 -9.022 3.671 1.00 0.00 C ATOM 1029 CD1 TYR A 72 7.765 -10.017 4.480 1.00 0.00 C ATOM 1030 CD2 TYR A 72 6.528 -7.990 4.279 1.00 0.00 C ATOM 1031 CE1 TYR A 72 7.601 -9.987 5.852 1.00 0.00 C ATOM 1032 CE2 TYR A 72 6.360 -7.951 5.650 1.00 0.00 C ATOM 1033 CZ TYR A 72 6.897 -8.952 6.432 1.00 0.00 C ATOM 1034 OH TYR A 72 6.733 -8.917 7.797 1.00 0.00 O ATOM 0 H TYR A 72 8.619 -7.088 3.079 1.00 0.00 H new ATOM 0 HA TYR A 72 9.531 -9.422 2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.693 -8.387 1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.193 -10.063 1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.316 -10.829 4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.104 -7.206 3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.022 -10.769 6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.811 -7.141 6.107 1.00 0.00 H new ATOM 0 HH TYR A 72 6.215 -8.123 8.044 1.00 0.00 H new ATOM 1044 N CYS A 73 8.787 -7.393 -0.348 1.00 0.00 N ATOM 1045 CA CYS A 73 8.826 -7.194 -1.792 1.00 0.00 C ATOM 1046 C CYS A 73 10.094 -7.795 -2.390 1.00 0.00 C ATOM 1047 O CYS A 73 10.034 -8.594 -3.326 1.00 0.00 O ATOM 1048 CB CYS A 73 8.750 -5.702 -2.123 1.00 0.00 C ATOM 1049 SG CYS A 73 7.053 -5.044 -2.202 1.00 0.00 S ATOM 0 H CYS A 73 8.688 -6.534 0.193 1.00 0.00 H new ATOM 0 HA CYS A 73 7.965 -7.701 -2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.310 -5.145 -1.372 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.241 -5.528 -3.080 1.00 0.00 H new ATOM 1054 N ASP A 74 11.242 -7.406 -1.845 1.00 0.00 N ATOM 1055 CA ASP A 74 12.525 -7.906 -2.323 1.00 0.00 C ATOM 1056 C ASP A 74 13.501 -8.091 -1.167 1.00 0.00 C ATOM 1057 O ASP A 74 13.800 -7.147 -0.437 1.00 0.00 O ATOM 1058 CB ASP A 74 13.116 -6.948 -3.359 1.00 0.00 C ATOM 1059 CG ASP A 74 14.261 -7.569 -4.135 1.00 0.00 C ATOM 1060 OD1 ASP A 74 14.004 -8.496 -4.930 1.00 0.00 O ATOM 1061 OD2 ASP A 74 15.414 -7.128 -3.945 1.00 0.00 O ATOM 0 H ASP A 74 11.310 -6.745 -1.071 1.00 0.00 H new ATOM 0 HA ASP A 74 12.357 -8.876 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.334 -6.641 -4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.468 -6.047 -2.857 1.00 0.00 H new ATOM 1066 N ASN A 75 13.995 -9.315 -1.005 1.00 0.00 N ATOM 1067 CA ASN A 75 14.937 -9.623 0.064 1.00 0.00 C ATOM 1068 C ASN A 75 16.297 -8.989 -0.209 1.00 0.00 C ATOM 1069 O ASN A 75 16.916 -9.244 -1.242 1.00 0.00 O ATOM 1070 CB ASN A 75 15.090 -11.138 0.215 1.00 0.00 C ATOM 1071 CG ASN A 75 13.783 -11.819 0.576 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.704 -11.258 0.382 1.00 0.00 O ATOM 1073 ND2 ASN A 75 13.875 -13.034 1.104 1.00 0.00 N ATOM 0 H ASN A 75 13.758 -10.109 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 75 14.543 -9.209 0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.469 -11.557 -0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.832 -11.350 0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.030 -13.541 1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.791 -13.460 1.247 1.00 0.00 H new ATOM 1080 N ILE A 76 16.756 -8.162 0.725 1.00 0.00 N ATOM 1081 CA ILE A 76 18.043 -7.492 0.586 1.00 0.00 C ATOM 1082 C ILE A 76 19.194 -8.486 0.693 1.00 0.00 C ATOM 1083 O ILE A 76 19.305 -9.221 1.674 1.00 0.00 O ATOM 1084 CB ILE A 76 18.225 -6.396 1.653 1.00 0.00 C ATOM 1085 CG1 ILE A 76 17.121 -5.345 1.529 1.00 0.00 C ATOM 1086 CG2 ILE A 76 19.596 -5.751 1.520 1.00 0.00 C ATOM 1087 CD1 ILE A 76 17.105 -4.639 0.192 1.00 0.00 C ATOM 0 H ILE A 76 16.256 -7.940 1.586 1.00 0.00 H new ATOM 0 HA ILE A 76 18.054 -7.031 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 76 18.155 -6.854 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 76 16.155 -5.824 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 76 17.245 -4.605 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 76 19.710 -4.979 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 76 20.369 -6.508 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 76 19.693 -5.303 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 76 16.297 -3.908 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 76 18.057 -4.131 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 76 16.950 -5.369 -0.603 1.00 0.00 H new ATOM 1099 N ASN A 77 20.050 -8.503 -0.324 1.00 0.00 N ATOM 1100 CA ASN A 77 21.195 -9.406 -0.344 1.00 0.00 C ATOM 1101 C ASN A 77 22.256 -8.962 0.658 1.00 0.00 C ATOM 1102 O ASN A 77 22.706 -9.749 1.491 1.00 0.00 O ATOM 1103 CB ASN A 77 21.798 -9.467 -1.749 1.00 0.00 C ATOM 1104 CG ASN A 77 20.741 -9.619 -2.826 1.00 0.00 C ATOM 1105 OD1 ASN A 77 20.159 -8.635 -3.283 1.00 0.00 O ATOM 1106 ND2 ASN A 77 20.489 -10.856 -3.236 1.00 0.00 N ATOM 0 H ASN A 77 19.972 -7.902 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 77 20.847 -10.400 -0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 77 22.373 -8.560 -1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 77 22.494 -10.304 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 77 19.788 -11.021 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 77 20.996 -11.642 -2.829 1.00 0.00 H new ATOM 1113 N LEU A 78 22.651 -7.697 0.572 1.00 0.00 N ATOM 1114 CA LEU A 78 23.659 -7.147 1.471 1.00 0.00 C ATOM 1115 C LEU A 78 23.025 -6.674 2.776 1.00 0.00 C ATOM 1116 O LEU A 78 22.677 -5.501 2.920 1.00 0.00 O ATOM 1117 CB LEU A 78 24.393 -5.986 0.798 1.00 0.00 C ATOM 1118 CG LEU A 78 25.780 -5.656 1.352 1.00 0.00 C ATOM 1119 CD1 LEU A 78 26.838 -6.526 0.694 1.00 0.00 C ATOM 1120 CD2 LEU A 78 26.097 -4.181 1.151 1.00 0.00 C ATOM 0 H LEU A 78 22.288 -7.032 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 78 24.374 -7.937 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 78 24.492 -6.212 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 78 23.771 -5.095 0.877 1.00 0.00 H new ATOM 0 HG LEU A 78 25.783 -5.865 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 78 27.818 -6.277 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 78 26.620 -7.576 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 78 26.836 -6.350 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 78 27.087 -3.964 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 78 26.076 -3.946 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.355 -3.575 1.671 1.00 0.00 H new ATOM 1132 N LEU A 79 22.880 -7.594 3.724 1.00 0.00 N ATOM 1133 CA LEU A 79 22.291 -7.270 5.019 1.00 0.00 C ATOM 1134 C LEU A 79 23.366 -6.857 6.019 1.00 0.00 C ATOM 1135 O LEU A 79 24.183 -7.676 6.442 1.00 0.00 O ATOM 1136 CB LEU A 79 21.510 -8.470 5.558 1.00 0.00 C ATOM 1137 CG LEU A 79 20.299 -8.143 6.434 1.00 0.00 C ATOM 1138 CD1 LEU A 79 20.743 -7.513 7.744 1.00 0.00 C ATOM 1139 CD2 LEU A 79 19.340 -7.221 5.695 1.00 0.00 C ATOM 0 H LEU A 79 23.162 -8.569 3.620 1.00 0.00 H new ATOM 0 HA LEU A 79 21.609 -6.431 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 79 21.171 -9.067 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.193 -9.094 6.135 1.00 0.00 H new ATOM 0 HG LEU A 79 19.776 -9.072 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.868 -7.287 8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.390 -8.207 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.289 -6.592 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.485 -6.999 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.852 -6.294 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.996 -7.709 4.783 1.00 0.00 H new ATOM 1151 N LEU A 80 23.359 -5.583 6.395 1.00 0.00 N ATOM 1152 CA LEU A 80 24.331 -5.061 7.348 1.00 0.00 C ATOM 1153 C LEU A 80 24.663 -6.102 8.412 1.00 0.00 C ATOM 1154 O LEU A 80 23.826 -6.436 9.252 1.00 0.00 O ATOM 1155 CB LEU A 80 23.795 -3.790 8.010 1.00 0.00 C ATOM 1156 CG LEU A 80 24.844 -2.767 8.445 1.00 0.00 C ATOM 1157 CD1 LEU A 80 25.733 -3.343 9.536 1.00 0.00 C ATOM 1158 CD2 LEU A 80 25.679 -2.320 7.254 1.00 0.00 C ATOM 0 H LEU A 80 22.690 -4.892 6.054 1.00 0.00 H new ATOM 0 HA LEU A 80 25.244 -4.821 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.109 -3.304 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 80 23.213 -4.078 8.885 1.00 0.00 H new ATOM 0 HG LEU A 80 24.328 -1.896 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.473 -2.600 9.832 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.123 -3.611 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.241 -4.231 9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 80 26.421 -1.592 7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 80 26.185 -3.183 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 80 25.031 -1.865 6.505 1.00 0.00 H new ATOM 1170 N THR A 81 25.891 -6.610 8.374 1.00 0.00 N ATOM 1171 CA THR A 81 26.335 -7.611 9.336 1.00 0.00 C ATOM 1172 C THR A 81 25.766 -7.331 10.722 1.00 0.00 C ATOM 1173 O THR A 81 26.020 -6.278 11.305 1.00 0.00 O ATOM 1174 CB THR A 81 27.871 -7.663 9.423 1.00 0.00 C ATOM 1175 OG1 THR A 81 28.271 -8.536 10.487 1.00 0.00 O ATOM 1176 CG2 THR A 81 28.448 -6.275 9.657 1.00 0.00 C ATOM 0 H THR A 81 26.596 -6.344 7.687 1.00 0.00 H new ATOM 0 HA THR A 81 25.967 -8.574 8.984 1.00 0.00 H new ATOM 0 HB THR A 81 28.254 -8.043 8.476 1.00 0.00 H new ATOM 0 HG1 THR A 81 29.249 -8.566 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 81 29.535 -6.338 9.715 1.00 0.00 H new ATOM 0 HG22 THR A 81 28.166 -5.620 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 81 28.058 -5.871 10.591 1.00 0.00 H new ATOM 1184 N GLU A 82 24.998 -8.282 11.245 1.00 0.00 N ATOM 1185 CA GLU A 82 24.394 -8.136 12.564 1.00 0.00 C ATOM 1186 C GLU A 82 23.982 -9.493 13.126 1.00 0.00 C ATOM 1187 O GLU A 82 23.173 -10.204 12.531 1.00 0.00 O ATOM 1188 CB GLU A 82 23.177 -7.211 12.493 1.00 0.00 C ATOM 1189 CG GLU A 82 23.537 -5.736 12.433 1.00 0.00 C ATOM 1190 CD GLU A 82 22.338 -4.834 12.651 1.00 0.00 C ATOM 1191 OE1 GLU A 82 21.506 -4.718 11.726 1.00 0.00 O ATOM 1192 OE2 GLU A 82 22.232 -4.243 13.746 1.00 0.00 O ATOM 0 H GLU A 82 24.780 -9.161 10.776 1.00 0.00 H new ATOM 0 HA GLU A 82 25.137 -7.696 13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 82 22.586 -7.468 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 82 22.546 -7.387 13.364 1.00 0.00 H new ATOM 0 HG2 GLU A 82 24.292 -5.519 13.188 1.00 0.00 H new ATOM 0 HG3 GLU A 82 23.983 -5.514 11.463 1.00 0.00 H new ATOM 1199 N GLU A 83 24.546 -9.845 14.278 1.00 0.00 N ATOM 1200 CA GLU A 83 24.239 -11.118 14.921 1.00 0.00 C ATOM 1201 C GLU A 83 23.197 -10.934 16.020 1.00 0.00 C ATOM 1202 O GLU A 83 23.349 -11.450 17.127 1.00 0.00 O ATOM 1203 CB GLU A 83 25.508 -11.739 15.506 1.00 0.00 C ATOM 1204 CG GLU A 83 25.370 -13.217 15.827 1.00 0.00 C ATOM 1205 CD GLU A 83 25.034 -14.051 14.605 1.00 0.00 C ATOM 1206 OE1 GLU A 83 23.843 -14.112 14.236 1.00 0.00 O ATOM 1207 OE2 GLU A 83 25.964 -14.643 14.017 1.00 0.00 O ATOM 0 H GLU A 83 25.217 -9.267 14.784 1.00 0.00 H new ATOM 0 HA GLU A 83 23.831 -11.789 14.165 1.00 0.00 H new ATOM 0 HB2 GLU A 83 26.327 -11.604 14.800 1.00 0.00 H new ATOM 0 HB3 GLU A 83 25.779 -11.202 16.415 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.301 -13.578 16.264 1.00 0.00 H new ATOM 0 HG3 GLU A 83 24.592 -13.351 16.579 1.00 0.00 H new ATOM 1214 N SER A 84 22.137 -10.195 15.706 1.00 0.00 N ATOM 1215 CA SER A 84 21.071 -9.939 16.669 1.00 0.00 C ATOM 1216 C SER A 84 19.726 -10.414 16.127 1.00 0.00 C ATOM 1217 O SER A 84 18.698 -9.774 16.341 1.00 0.00 O ATOM 1218 CB SER A 84 21.003 -8.447 17.001 1.00 0.00 C ATOM 1219 OG SER A 84 22.086 -8.059 17.827 1.00 0.00 O ATOM 0 H SER A 84 21.993 -9.763 14.793 1.00 0.00 H new ATOM 0 HA SER A 84 21.294 -10.496 17.579 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.018 -7.865 16.079 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.061 -8.225 17.503 1.00 0.00 H new ATOM 0 HG SER A 84 22.021 -7.101 18.023 1.00 0.00 H new ATOM 1225 N GLY A 85 19.743 -11.542 15.424 1.00 0.00 N ATOM 1226 CA GLY A 85 18.519 -12.084 14.863 1.00 0.00 C ATOM 1227 C GLY A 85 18.776 -13.253 13.933 1.00 0.00 C ATOM 1228 O GLY A 85 19.481 -13.133 12.930 1.00 0.00 O ATOM 0 H GLY A 85 20.582 -12.090 15.233 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.863 -12.405 15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.994 -11.299 14.319 1.00 0.00 H new ATOM 1232 N PRO A 86 18.197 -14.416 14.264 1.00 0.00 N ATOM 1233 CA PRO A 86 18.353 -15.636 13.465 1.00 0.00 C ATOM 1234 C PRO A 86 17.633 -15.546 12.124 1.00 0.00 C ATOM 1235 O PRO A 86 17.743 -16.441 11.287 1.00 0.00 O ATOM 1236 CB PRO A 86 17.721 -16.719 14.342 1.00 0.00 C ATOM 1237 CG PRO A 86 16.746 -15.989 15.200 1.00 0.00 C ATOM 1238 CD PRO A 86 17.344 -14.632 15.445 1.00 0.00 C ATOM 0 HA PRO A 86 19.396 -15.829 13.214 1.00 0.00 H new ATOM 0 HB2 PRO A 86 17.225 -17.479 13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.473 -17.230 14.943 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.778 -15.905 14.706 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.580 -16.518 16.139 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.575 -13.864 15.531 1.00 0.00 H new ATOM 0 HD3 PRO A 86 17.923 -14.609 16.368 1.00 0.00 H new ATOM 1246 N SER A 87 16.892 -14.459 11.927 1.00 0.00 N ATOM 1247 CA SER A 87 16.150 -14.254 10.689 1.00 0.00 C ATOM 1248 C SER A 87 16.784 -13.148 9.851 1.00 0.00 C ATOM 1249 O SER A 87 16.093 -12.265 9.346 1.00 0.00 O ATOM 1250 CB SER A 87 14.693 -13.905 10.996 1.00 0.00 C ATOM 1251 OG SER A 87 14.590 -12.624 11.594 1.00 0.00 O ATOM 0 H SER A 87 16.790 -13.708 12.609 1.00 0.00 H new ATOM 0 HA SER A 87 16.182 -15.182 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.109 -13.928 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.269 -14.656 11.662 1.00 0.00 H new ATOM 0 HG SER A 87 14.936 -11.946 10.977 1.00 0.00 H new ATOM 1257 N SER A 88 18.105 -13.205 9.710 1.00 0.00 N ATOM 1258 CA SER A 88 18.834 -12.207 8.937 1.00 0.00 C ATOM 1259 C SER A 88 20.253 -12.683 8.637 1.00 0.00 C ATOM 1260 O SER A 88 20.713 -13.684 9.184 1.00 0.00 O ATOM 1261 CB SER A 88 18.880 -10.878 9.694 1.00 0.00 C ATOM 1262 OG SER A 88 17.743 -10.085 9.402 1.00 0.00 O ATOM 0 H SER A 88 18.691 -13.931 10.121 1.00 0.00 H new ATOM 0 HA SER A 88 18.310 -12.061 7.992 1.00 0.00 H new ATOM 0 HB2 SER A 88 18.929 -11.068 10.766 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.785 -10.334 9.425 1.00 0.00 H new ATOM 0 HG SER A 88 16.951 -10.659 9.338 1.00 0.00 H new ATOM 1268 N GLY A 89 20.940 -11.957 7.761 1.00 0.00 N ATOM 1269 CA GLY A 89 22.299 -12.320 7.401 1.00 0.00 C ATOM 1270 C GLY A 89 23.017 -11.212 6.657 1.00 0.00 C ATOM 1271 O GLY A 89 23.631 -11.483 5.626 1.00 0.00 O ATOM 0 H GLY A 89 20.581 -11.124 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.857 -12.568 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.280 -13.217 6.782 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.557 3.366 7.875 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.562 -5.916 -0.652 1.00 0.00 ZN