USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 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 46 CYS SG : rot 160:sc= -0.799 USER MOD Set 1.2: A 78 GLN : amide:sc= -0.755 K(o=-1.6,f=-0.23) 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 -170:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.1!) USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= -0.445 (180deg=-1.98!) USER MOD Single : A 15 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.2) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -5.81 K(o=-5.8,f=-5!) USER MOD Single : A 29 ASN : amide:sc= -1.01 K(o=-1,f=0.031) USER MOD Single : A 30 SER OG : rot -75:sc= 0.47 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 177:sc= -0.0509 (180deg=-0.0706) USER MOD Single : A 50 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-0.41) USER MOD Single : A 52 HIS : no HD1:sc= 0.0352 K(o=0.035,f=-0.54) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.398) USER MOD Single : A 76 LYS NZ :NH3+ -144:sc= -3.48! (180deg=-4.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.29) USER MOD Single : A 86 LYS NZ :NH3+ 135:sc= -1.26 (180deg=-2.71!) USER MOD Single : A 87 GLN : amide:sc=-0.00174 X(o=-0.0017,f=-0.17) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.758 12.216 -17.397 1.00 0.00 N ATOM 2 CA GLY A 1 -18.128 13.616 -17.300 1.00 0.00 C ATOM 3 C GLY A 1 -19.266 13.848 -16.325 1.00 0.00 C ATOM 4 O GLY A 1 -20.311 13.205 -16.417 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.977 12.110 -18.075 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.456 11.871 -16.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.576 11.662 -17.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.261 14.197 -16.987 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.417 13.981 -18.285 1.00 0.00 H new ATOM 8 N SER A 2 -19.062 14.769 -15.389 1.00 0.00 N ATOM 9 CA SER A 2 -20.077 15.081 -14.390 1.00 0.00 C ATOM 10 C SER A 2 -19.739 16.376 -13.658 1.00 0.00 C ATOM 11 O SER A 2 -18.694 16.485 -13.015 1.00 0.00 O ATOM 12 CB SER A 2 -20.205 13.934 -13.387 1.00 0.00 C ATOM 13 OG SER A 2 -21.384 14.063 -12.611 1.00 0.00 O ATOM 0 H SER A 2 -18.203 15.312 -15.302 1.00 0.00 H new ATOM 0 HA SER A 2 -21.029 15.213 -14.904 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.218 12.982 -13.918 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.334 13.921 -12.732 1.00 0.00 H new ATOM 0 HG SER A 2 -21.443 13.316 -11.979 1.00 0.00 H new ATOM 19 N SER A 3 -20.630 17.357 -13.760 1.00 0.00 N ATOM 20 CA SER A 3 -20.426 18.647 -13.111 1.00 0.00 C ATOM 21 C SER A 3 -20.018 18.463 -11.653 1.00 0.00 C ATOM 22 O SER A 3 -20.518 17.574 -10.965 1.00 0.00 O ATOM 23 CB SER A 3 -21.699 19.491 -13.194 1.00 0.00 C ATOM 24 OG SER A 3 -21.407 20.871 -13.057 1.00 0.00 O ATOM 0 H SER A 3 -21.501 17.283 -14.286 1.00 0.00 H new ATOM 0 HA SER A 3 -19.621 19.165 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.194 19.314 -14.149 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.394 19.184 -12.412 1.00 0.00 H new ATOM 0 HG SER A 3 -22.237 21.388 -13.115 1.00 0.00 H new ATOM 30 N GLY A 4 -19.106 19.311 -11.188 1.00 0.00 N ATOM 31 CA GLY A 4 -18.646 19.226 -9.815 1.00 0.00 C ATOM 32 C GLY A 4 -17.441 20.107 -9.551 1.00 0.00 C ATOM 33 O GLY A 4 -16.556 20.231 -10.398 1.00 0.00 O ATOM 0 H GLY A 4 -18.678 20.055 -11.738 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.456 19.514 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.393 18.191 -9.583 1.00 0.00 H new ATOM 37 N SER A 5 -17.407 20.725 -8.375 1.00 0.00 N ATOM 38 CA SER A 5 -16.306 21.604 -8.004 1.00 0.00 C ATOM 39 C SER A 5 -16.143 21.664 -6.488 1.00 0.00 C ATOM 40 O SER A 5 -17.054 22.078 -5.771 1.00 0.00 O ATOM 41 CB SER A 5 -16.538 23.011 -8.558 1.00 0.00 C ATOM 42 OG SER A 5 -15.486 23.886 -8.190 1.00 0.00 O ATOM 0 H SER A 5 -18.131 20.633 -7.662 1.00 0.00 H new ATOM 0 HA SER A 5 -15.391 21.197 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.616 22.969 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.485 23.400 -8.185 1.00 0.00 H new ATOM 0 HG SER A 5 -15.658 24.778 -8.558 1.00 0.00 H new ATOM 48 N SER A 6 -14.976 21.246 -6.007 1.00 0.00 N ATOM 49 CA SER A 6 -14.696 21.248 -4.576 1.00 0.00 C ATOM 50 C SER A 6 -15.104 22.575 -3.943 1.00 0.00 C ATOM 51 O SER A 6 -14.781 23.646 -4.457 1.00 0.00 O ATOM 52 CB SER A 6 -13.208 20.987 -4.327 1.00 0.00 C ATOM 53 OG SER A 6 -12.407 21.984 -4.936 1.00 0.00 O ATOM 0 H SER A 6 -14.210 20.902 -6.587 1.00 0.00 H new ATOM 0 HA SER A 6 -15.281 20.452 -4.115 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.014 20.965 -3.255 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.937 20.007 -4.720 1.00 0.00 H new ATOM 0 HG SER A 6 -11.466 21.714 -4.900 1.00 0.00 H new ATOM 59 N GLY A 7 -15.817 22.495 -2.824 1.00 0.00 N ATOM 60 CA GLY A 7 -16.259 23.695 -2.138 1.00 0.00 C ATOM 61 C GLY A 7 -15.128 24.400 -1.416 1.00 0.00 C ATOM 62 O GLY A 7 -14.427 25.225 -2.002 1.00 0.00 O ATOM 0 H GLY A 7 -16.097 21.620 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.707 24.378 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.037 23.434 -1.421 1.00 0.00 H new ATOM 66 N SER A 8 -14.950 24.076 -0.139 1.00 0.00 N ATOM 67 CA SER A 8 -13.900 24.688 0.666 1.00 0.00 C ATOM 68 C SER A 8 -12.765 23.701 0.920 1.00 0.00 C ATOM 69 O SER A 8 -12.760 22.991 1.926 1.00 0.00 O ATOM 70 CB SER A 8 -14.470 25.182 1.996 1.00 0.00 C ATOM 71 OG SER A 8 -13.675 26.223 2.537 1.00 0.00 O ATOM 0 H SER A 8 -15.520 23.393 0.360 1.00 0.00 H new ATOM 0 HA SER A 8 -13.501 25.538 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.490 25.538 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.521 24.354 2.703 1.00 0.00 H new ATOM 0 HG SER A 8 -14.062 26.522 3.386 1.00 0.00 H new ATOM 77 N ILE A 9 -11.806 23.663 0.002 1.00 0.00 N ATOM 78 CA ILE A 9 -10.665 22.763 0.127 1.00 0.00 C ATOM 79 C ILE A 9 -9.771 23.167 1.295 1.00 0.00 C ATOM 80 O ILE A 9 -9.854 24.290 1.790 1.00 0.00 O ATOM 81 CB ILE A 9 -9.823 22.738 -1.163 1.00 0.00 C ATOM 82 CG1 ILE A 9 -9.267 24.131 -1.461 1.00 0.00 C ATOM 83 CG2 ILE A 9 -10.660 22.235 -2.331 1.00 0.00 C ATOM 84 CD1 ILE A 9 -8.332 24.166 -2.651 1.00 0.00 C ATOM 0 H ILE A 9 -11.796 24.244 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.068 21.767 0.308 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.985 22.056 -1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.097 24.814 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.737 24.498 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.052 22.223 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.013 21.226 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.515 22.895 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.976 25.185 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.482 23.509 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.863 23.830 -3.541 1.00 0.00 H new ATOM 96 N GLN A 10 -8.919 22.244 1.728 1.00 0.00 N ATOM 97 CA GLN A 10 -8.010 22.505 2.837 1.00 0.00 C ATOM 98 C GLN A 10 -6.565 22.231 2.432 1.00 0.00 C ATOM 99 O GLN A 10 -6.301 21.703 1.352 1.00 0.00 O ATOM 100 CB GLN A 10 -8.385 21.646 4.045 1.00 0.00 C ATOM 101 CG GLN A 10 -8.413 20.156 3.747 1.00 0.00 C ATOM 102 CD GLN A 10 -9.764 19.684 3.247 1.00 0.00 C ATOM 103 OE1 GLN A 10 -10.794 20.292 3.541 1.00 0.00 O ATOM 104 NE2 GLN A 10 -9.768 18.597 2.486 1.00 0.00 N ATOM 0 H GLN A 10 -8.839 21.309 1.328 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.100 23.557 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.673 21.834 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.365 21.954 4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.653 19.925 3.001 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.151 19.604 4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.891 18.124 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.648 18.234 2.120 1.00 0.00 H new ATOM 113 N LYS A 11 -5.632 22.593 3.306 1.00 0.00 N ATOM 114 CA LYS A 11 -4.213 22.387 3.041 1.00 0.00 C ATOM 115 C LYS A 11 -3.718 21.104 3.704 1.00 0.00 C ATOM 116 O LYS A 11 -4.030 20.833 4.863 1.00 0.00 O ATOM 117 CB LYS A 11 -3.399 23.581 3.545 1.00 0.00 C ATOM 118 CG LYS A 11 -3.361 24.744 2.570 1.00 0.00 C ATOM 119 CD LYS A 11 -4.686 25.486 2.533 1.00 0.00 C ATOM 120 CE LYS A 11 -4.772 26.530 3.636 1.00 0.00 C ATOM 121 NZ LYS A 11 -5.237 25.941 4.922 1.00 0.00 N ATOM 0 H LYS A 11 -5.833 23.031 4.205 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.080 22.295 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.819 23.924 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.379 23.255 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.566 25.433 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.122 24.376 1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.807 25.969 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.505 24.775 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.793 26.988 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.454 27.324 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.841 26.626 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.781 25.075 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.415 25.709 5.515 1.00 0.00 H new ATOM 135 N ASP A 12 -2.943 20.321 2.961 1.00 0.00 N ATOM 136 CA ASP A 12 -2.402 19.069 3.478 1.00 0.00 C ATOM 137 C ASP A 12 -1.090 18.717 2.783 1.00 0.00 C ATOM 138 O ASP A 12 -1.076 18.353 1.608 1.00 0.00 O ATOM 139 CB ASP A 12 -3.413 17.937 3.290 1.00 0.00 C ATOM 140 CG ASP A 12 -4.558 18.013 4.281 1.00 0.00 C ATOM 141 OD1 ASP A 12 -4.342 17.676 5.464 1.00 0.00 O ATOM 142 OD2 ASP A 12 -5.670 18.408 3.873 1.00 0.00 O ATOM 0 H ASP A 12 -2.675 20.531 1.999 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.206 19.197 4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.811 17.974 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.905 16.979 3.399 1.00 0.00 H new ATOM 147 N LEU A 13 0.010 18.830 3.518 1.00 0.00 N ATOM 148 CA LEU A 13 1.329 18.525 2.974 1.00 0.00 C ATOM 149 C LEU A 13 2.289 18.097 4.079 1.00 0.00 C ATOM 150 O LEU A 13 2.213 18.586 5.205 1.00 0.00 O ATOM 151 CB LEU A 13 1.892 19.742 2.236 1.00 0.00 C ATOM 152 CG LEU A 13 1.866 21.063 3.005 1.00 0.00 C ATOM 153 CD1 LEU A 13 2.872 22.041 2.418 1.00 0.00 C ATOM 154 CD2 LEU A 13 0.466 21.661 2.989 1.00 0.00 C ATOM 0 H LEU A 13 0.015 19.131 4.493 1.00 0.00 H new ATOM 0 HA LEU A 13 1.222 17.699 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.923 19.527 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.331 19.872 1.310 1.00 0.00 H new ATOM 0 HG LEU A 13 2.144 20.865 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.840 22.976 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.873 21.615 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.625 22.234 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.466 22.601 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.161 21.845 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.232 20.966 3.456 1.00 0.00 H new ATOM 166 N ALA A 14 3.192 17.180 3.748 1.00 0.00 N ATOM 167 CA ALA A 14 4.170 16.688 4.711 1.00 0.00 C ATOM 168 C ALA A 14 5.165 15.741 4.049 1.00 0.00 C ATOM 169 O ALA A 14 4.874 15.147 3.013 1.00 0.00 O ATOM 170 CB ALA A 14 3.468 15.994 5.869 1.00 0.00 C ATOM 0 H ALA A 14 3.267 16.763 2.820 1.00 0.00 H new ATOM 0 HA ALA A 14 4.725 17.543 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.210 15.632 6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.803 16.700 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.887 15.153 5.491 1.00 0.00 H new ATOM 176 N ASN A 15 6.341 15.608 4.655 1.00 0.00 N ATOM 177 CA ASN A 15 7.380 14.734 4.122 1.00 0.00 C ATOM 178 C ASN A 15 6.838 13.329 3.881 1.00 0.00 C ATOM 179 O ASN A 15 7.185 12.679 2.894 1.00 0.00 O ATOM 180 CB ASN A 15 8.569 14.675 5.084 1.00 0.00 C ATOM 181 CG ASN A 15 9.432 13.450 4.861 1.00 0.00 C ATOM 182 OD1 ASN A 15 9.862 13.174 3.740 1.00 0.00 O ATOM 183 ND2 ASN A 15 9.691 12.706 5.931 1.00 0.00 N ATOM 0 H ASN A 15 6.598 16.094 5.514 1.00 0.00 H new ATOM 0 HA ASN A 15 7.712 15.145 3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.177 15.571 4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.203 14.676 6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.267 11.869 5.843 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.314 12.972 6.841 1.00 0.00 H new ATOM 190 N ILE A 16 5.984 12.866 4.788 1.00 0.00 N ATOM 191 CA ILE A 16 5.393 11.538 4.672 1.00 0.00 C ATOM 192 C ILE A 16 3.935 11.624 4.232 1.00 0.00 C ATOM 193 O ILE A 16 3.247 12.605 4.509 1.00 0.00 O ATOM 194 CB ILE A 16 5.471 10.769 6.004 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.929 10.491 6.373 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.685 9.469 5.912 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.680 9.706 5.320 1.00 0.00 C ATOM 0 H ILE A 16 5.686 13.390 5.611 1.00 0.00 H new ATOM 0 HA ILE A 16 5.968 11.000 3.918 1.00 0.00 H new ATOM 0 HB ILE A 16 5.029 11.384 6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.440 11.439 6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.959 9.942 7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.750 8.937 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.641 9.690 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.101 8.848 5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.707 9.546 5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.193 8.743 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.682 10.263 4.383 1.00 0.00 H new ATOM 209 N ALA A 17 3.470 10.585 3.544 1.00 0.00 N ATOM 210 CA ALA A 17 2.092 10.540 3.068 1.00 0.00 C ATOM 211 C ALA A 17 1.431 9.214 3.427 1.00 0.00 C ATOM 212 O ALA A 17 1.752 8.175 2.852 1.00 0.00 O ATOM 213 CB ALA A 17 2.046 10.765 1.564 1.00 0.00 C ATOM 0 H ALA A 17 4.027 9.765 3.304 1.00 0.00 H new ATOM 0 HA ALA A 17 1.537 11.338 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.012 10.729 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.472 11.740 1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.621 9.987 1.062 1.00 0.00 H new ATOM 219 N GLU A 18 0.507 9.258 4.382 1.00 0.00 N ATOM 220 CA GLU A 18 -0.198 8.059 4.818 1.00 0.00 C ATOM 221 C GLU A 18 -1.401 7.779 3.922 1.00 0.00 C ATOM 222 O GLU A 18 -2.387 8.517 3.937 1.00 0.00 O ATOM 223 CB GLU A 18 -0.655 8.208 6.270 1.00 0.00 C ATOM 224 CG GLU A 18 -0.842 6.882 6.989 1.00 0.00 C ATOM 225 CD GLU A 18 -1.791 6.987 8.168 1.00 0.00 C ATOM 226 OE1 GLU A 18 -2.834 7.660 8.032 1.00 0.00 O ATOM 227 OE2 GLU A 18 -1.490 6.394 9.225 1.00 0.00 O ATOM 0 H GLU A 18 0.230 10.111 4.868 1.00 0.00 H new ATOM 0 HA GLU A 18 0.491 7.218 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.077 8.806 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.595 8.759 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.223 6.142 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.126 6.522 7.337 1.00 0.00 H new ATOM 234 N VAL A 19 -1.313 6.707 3.140 1.00 0.00 N ATOM 235 CA VAL A 19 -2.393 6.328 2.238 1.00 0.00 C ATOM 236 C VAL A 19 -2.787 4.868 2.433 1.00 0.00 C ATOM 237 O VAL A 19 -2.039 3.960 2.071 1.00 0.00 O ATOM 238 CB VAL A 19 -1.998 6.548 0.765 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.166 6.228 -0.155 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.516 7.975 0.552 1.00 0.00 C ATOM 0 H VAL A 19 -0.504 6.086 3.114 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.243 6.966 2.479 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.179 5.871 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.868 6.389 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.461 5.187 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.007 6.878 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.241 8.114 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.313 8.671 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.648 8.164 1.184 1.00 0.00 H new ATOM 250 N GLU A 20 -3.964 4.650 3.008 1.00 0.00 N ATOM 251 CA GLU A 20 -4.457 3.299 3.252 1.00 0.00 C ATOM 252 C GLU A 20 -5.284 2.799 2.071 1.00 0.00 C ATOM 253 O GLU A 20 -5.773 3.588 1.263 1.00 0.00 O ATOM 254 CB GLU A 20 -5.299 3.262 4.529 1.00 0.00 C ATOM 255 CG GLU A 20 -6.703 3.814 4.350 1.00 0.00 C ATOM 256 CD GLU A 20 -6.721 5.322 4.189 1.00 0.00 C ATOM 257 OE1 GLU A 20 -5.863 5.993 4.801 1.00 0.00 O ATOM 258 OE2 GLU A 20 -7.591 5.831 3.453 1.00 0.00 O ATOM 0 H GLU A 20 -4.595 5.391 3.314 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.595 2.643 3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.365 2.232 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.790 3.832 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.162 3.353 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.311 3.537 5.211 1.00 0.00 H new ATOM 265 N VAL A 21 -5.434 1.482 1.977 1.00 0.00 N ATOM 266 CA VAL A 21 -6.202 0.875 0.896 1.00 0.00 C ATOM 267 C VAL A 21 -6.994 -0.329 1.392 1.00 0.00 C ATOM 268 O VAL A 21 -6.603 -0.988 2.356 1.00 0.00 O ATOM 269 CB VAL A 21 -5.287 0.434 -0.262 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.311 -0.635 0.206 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.117 -0.068 -1.435 1.00 0.00 C ATOM 0 H VAL A 21 -5.034 0.815 2.636 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.894 1.635 0.533 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.711 1.297 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.673 -0.934 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.694 -0.237 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.866 -1.501 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.455 -0.375 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.720 -0.918 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.772 0.730 -1.785 1.00 0.00 H new ATOM 281 N SER A 22 -8.108 -0.613 0.726 1.00 0.00 N ATOM 282 CA SER A 22 -8.957 -1.738 1.101 1.00 0.00 C ATOM 283 C SER A 22 -8.434 -3.039 0.499 1.00 0.00 C ATOM 284 O SER A 22 -8.341 -3.177 -0.721 1.00 0.00 O ATOM 285 CB SER A 22 -10.396 -1.493 0.642 1.00 0.00 C ATOM 286 OG SER A 22 -11.216 -2.617 0.912 1.00 0.00 O ATOM 0 H SER A 22 -8.444 -0.080 -0.076 1.00 0.00 H new ATOM 0 HA SER A 22 -8.939 -1.828 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.798 -0.616 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.409 -1.278 -0.427 1.00 0.00 H new ATOM 0 HG SER A 22 -12.131 -2.435 0.611 1.00 0.00 H new ATOM 292 N ILE A 23 -8.092 -3.988 1.364 1.00 0.00 N ATOM 293 CA ILE A 23 -7.580 -5.277 0.919 1.00 0.00 C ATOM 294 C ILE A 23 -7.868 -6.368 1.945 1.00 0.00 C ATOM 295 O ILE A 23 -7.737 -6.169 3.153 1.00 0.00 O ATOM 296 CB ILE A 23 -6.062 -5.220 0.660 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.746 -4.186 -0.422 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.542 -6.593 0.256 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.326 -4.268 -0.940 1.00 0.00 C ATOM 0 H ILE A 23 -8.160 -3.888 2.377 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.092 -5.515 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.562 -4.919 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.436 -4.321 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.921 -3.188 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.468 -6.537 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.739 -7.307 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.046 -6.920 -0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.173 -3.506 -1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.629 -4.103 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.152 -5.254 -1.371 1.00 0.00 H new ATOM 311 N PRO A 24 -8.269 -7.550 1.454 1.00 0.00 N ATOM 312 CA PRO A 24 -8.583 -8.697 2.312 1.00 0.00 C ATOM 313 C PRO A 24 -7.340 -9.283 2.974 1.00 0.00 C ATOM 314 O PRO A 24 -6.225 -9.110 2.485 1.00 0.00 O ATOM 315 CB PRO A 24 -9.197 -9.709 1.340 1.00 0.00 C ATOM 316 CG PRO A 24 -8.627 -9.351 0.011 1.00 0.00 C ATOM 317 CD PRO A 24 -8.446 -7.859 0.025 1.00 0.00 C ATOM 0 HA PRO A 24 -9.242 -8.422 3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.941 -10.731 1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.285 -9.643 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.676 -9.858 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.295 -9.655 -0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.580 -7.554 -0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.312 -7.345 -0.393 1.00 0.00 H new ATOM 325 N ALA A 25 -7.541 -9.976 4.090 1.00 0.00 N ATOM 326 CA ALA A 25 -6.437 -10.589 4.818 1.00 0.00 C ATOM 327 C ALA A 25 -5.974 -11.871 4.135 1.00 0.00 C ATOM 328 O ALA A 25 -4.780 -12.170 4.095 1.00 0.00 O ATOM 329 CB ALA A 25 -6.846 -10.872 6.256 1.00 0.00 C ATOM 0 H ALA A 25 -8.458 -10.127 4.510 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.602 -9.888 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.012 -11.330 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.121 -9.938 6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.699 -11.551 6.265 1.00 0.00 H new ATOM 335 N LYS A 26 -6.926 -12.628 3.600 1.00 0.00 N ATOM 336 CA LYS A 26 -6.617 -13.879 2.918 1.00 0.00 C ATOM 337 C LYS A 26 -5.576 -13.660 1.824 1.00 0.00 C ATOM 338 O LYS A 26 -4.929 -14.605 1.371 1.00 0.00 O ATOM 339 CB LYS A 26 -7.887 -14.483 2.315 1.00 0.00 C ATOM 340 CG LYS A 26 -8.424 -13.706 1.125 1.00 0.00 C ATOM 341 CD LYS A 26 -9.617 -14.404 0.495 1.00 0.00 C ATOM 342 CE LYS A 26 -10.374 -13.477 -0.444 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.431 -12.707 0.270 1.00 0.00 N ATOM 0 H LYS A 26 -7.919 -12.396 3.626 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.206 -14.572 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.681 -15.508 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.657 -14.531 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.714 -12.705 1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.636 -13.588 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.278 -15.282 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.288 -14.758 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.675 -12.785 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.828 -14.062 -1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.924 -12.087 -0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.113 -13.367 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.995 -12.129 1.017 1.00 0.00 H new ATOM 357 N LEU A 27 -5.419 -12.409 1.406 1.00 0.00 N ATOM 358 CA LEU A 27 -4.455 -12.066 0.367 1.00 0.00 C ATOM 359 C LEU A 27 -3.142 -11.589 0.977 1.00 0.00 C ATOM 360 O LEU A 27 -2.075 -11.750 0.385 1.00 0.00 O ATOM 361 CB LEU A 27 -5.028 -10.982 -0.550 1.00 0.00 C ATOM 362 CG LEU A 27 -6.224 -11.392 -1.409 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.682 -10.230 -2.277 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.873 -12.597 -2.270 1.00 0.00 C ATOM 0 H LEU A 27 -5.947 -11.616 1.770 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.256 -12.963 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.323 -10.132 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.233 -10.636 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.044 -11.669 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.534 -10.541 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.974 -9.394 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.867 -9.921 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.736 -12.876 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.037 -12.346 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.594 -13.433 -1.629 1.00 0.00 H new ATOM 376 N HIS A 28 -3.227 -11.003 2.168 1.00 0.00 N ATOM 377 CA HIS A 28 -2.045 -10.505 2.860 1.00 0.00 C ATOM 378 C HIS A 28 -0.951 -11.568 2.902 1.00 0.00 C ATOM 379 O HIS A 28 0.183 -11.322 2.492 1.00 0.00 O ATOM 380 CB HIS A 28 -2.404 -10.072 4.282 1.00 0.00 C ATOM 381 CG HIS A 28 -3.344 -8.907 4.334 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.878 -8.421 5.509 1.00 0.00 N ATOM 383 CD2 HIS A 28 -3.842 -8.128 3.346 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.665 -7.396 5.241 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.661 -7.196 3.936 1.00 0.00 N ATOM 0 H HIS A 28 -4.102 -10.862 2.673 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.669 -9.643 2.309 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.854 -10.915 4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.490 -9.815 4.816 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.634 -8.221 2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.219 -6.819 5.967 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.181 -6.468 3.446 1.00 0.00 H new ATOM 393 N ASN A 29 -1.300 -12.750 3.400 1.00 0.00 N ATOM 394 CA ASN A 29 -0.347 -13.851 3.496 1.00 0.00 C ATOM 395 C ASN A 29 0.279 -14.148 2.136 1.00 0.00 C ATOM 396 O ASN A 29 1.397 -14.656 2.055 1.00 0.00 O ATOM 397 CB ASN A 29 -1.038 -15.104 4.037 1.00 0.00 C ATOM 398 CG ASN A 29 -1.792 -14.838 5.325 1.00 0.00 C ATOM 399 OD1 ASN A 29 -1.258 -15.025 6.419 1.00 0.00 O ATOM 400 ND2 ASN A 29 -3.040 -14.401 5.201 1.00 0.00 N ATOM 0 H ASN A 29 -2.235 -12.970 3.743 1.00 0.00 H new ATOM 0 HA ASN A 29 0.445 -13.555 4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.730 -15.487 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.293 -15.881 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.597 -14.206 6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.441 -14.260 4.274 1.00 0.00 H new ATOM 407 N SER A 30 -0.450 -13.827 1.072 1.00 0.00 N ATOM 408 CA SER A 30 0.032 -14.061 -0.283 1.00 0.00 C ATOM 409 C SER A 30 0.968 -12.943 -0.729 1.00 0.00 C ATOM 410 O SER A 30 2.108 -13.191 -1.125 1.00 0.00 O ATOM 411 CB SER A 30 -1.145 -14.174 -1.254 1.00 0.00 C ATOM 412 OG SER A 30 -1.506 -12.903 -1.767 1.00 0.00 O ATOM 0 H SER A 30 -1.377 -13.404 1.123 1.00 0.00 H new ATOM 0 HA SER A 30 0.588 -14.999 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.880 -14.840 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.999 -14.620 -0.745 1.00 0.00 H new ATOM 0 HG SER A 30 -1.986 -12.397 -1.079 1.00 0.00 H new ATOM 418 N LEU A 31 0.478 -11.709 -0.662 1.00 0.00 N ATOM 419 CA LEU A 31 1.270 -10.549 -1.059 1.00 0.00 C ATOM 420 C LEU A 31 2.592 -10.506 -0.298 1.00 0.00 C ATOM 421 O LEU A 31 3.658 -10.365 -0.896 1.00 0.00 O ATOM 422 CB LEU A 31 0.483 -9.261 -0.811 1.00 0.00 C ATOM 423 CG LEU A 31 -0.386 -8.773 -1.970 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.531 -7.915 -1.453 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.452 -7.995 -2.974 1.00 0.00 C ATOM 0 H LEU A 31 -0.463 -11.486 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 31 1.488 -10.635 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.157 -9.411 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.189 -8.471 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.808 -9.643 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.139 -7.576 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.147 -8.502 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.128 -7.051 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.183 -7.655 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.902 -7.133 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.238 -8.639 -3.368 1.00 0.00 H new ATOM 437 N ILE A 32 2.512 -10.632 1.023 1.00 0.00 N ATOM 438 CA ILE A 32 3.702 -10.611 1.864 1.00 0.00 C ATOM 439 C ILE A 32 4.696 -11.685 1.437 1.00 0.00 C ATOM 440 O ILE A 32 5.851 -11.390 1.127 1.00 0.00 O ATOM 441 CB ILE A 32 3.346 -10.818 3.348 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.299 -9.794 3.791 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.594 -10.715 4.211 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.524 -10.216 5.019 1.00 0.00 C ATOM 0 H ILE A 32 1.636 -10.750 1.533 1.00 0.00 H new ATOM 0 HA ILE A 32 4.158 -9.628 1.741 1.00 0.00 H new ATOM 0 HB ILE A 32 2.925 -11.816 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.794 -8.844 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.601 -9.622 2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.326 -10.863 5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.310 -11.479 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.041 -9.729 4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.800 -9.443 5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.001 -11.150 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.212 -10.360 5.852 1.00 0.00 H new ATOM 456 N GLY A 33 4.241 -12.934 1.421 1.00 0.00 N ATOM 457 CA GLY A 33 5.103 -14.034 1.029 1.00 0.00 C ATOM 458 C GLY A 33 5.515 -14.895 2.205 1.00 0.00 C ATOM 459 O GLY A 33 4.921 -14.817 3.282 1.00 0.00 O ATOM 0 H GLY A 33 3.290 -13.204 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.587 -14.652 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.994 -13.638 0.543 1.00 0.00 H new ATOM 463 N THR A 34 6.536 -15.723 2.003 1.00 0.00 N ATOM 464 CA THR A 34 7.026 -16.604 3.054 1.00 0.00 C ATOM 465 C THR A 34 7.647 -15.808 4.195 1.00 0.00 C ATOM 466 O THR A 34 7.268 -15.966 5.356 1.00 0.00 O ATOM 467 CB THR A 34 8.068 -17.601 2.511 1.00 0.00 C ATOM 468 OG1 THR A 34 7.471 -18.442 1.518 1.00 0.00 O ATOM 469 CG2 THR A 34 8.635 -18.456 3.634 1.00 0.00 C ATOM 0 H THR A 34 7.039 -15.801 1.119 1.00 0.00 H new ATOM 0 HA THR A 34 6.165 -17.158 3.429 1.00 0.00 H new ATOM 0 HB THR A 34 8.883 -17.033 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.140 -19.071 1.177 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.368 -19.152 3.227 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.115 -17.814 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.828 -19.015 4.108 1.00 0.00 H new ATOM 477 N LYS A 35 8.605 -14.950 3.859 1.00 0.00 N ATOM 478 CA LYS A 35 9.279 -14.125 4.855 1.00 0.00 C ATOM 479 C LYS A 35 9.127 -12.644 4.528 1.00 0.00 C ATOM 480 O LYS A 35 9.999 -11.836 4.844 1.00 0.00 O ATOM 481 CB LYS A 35 10.762 -14.492 4.932 1.00 0.00 C ATOM 482 CG LYS A 35 11.380 -14.243 6.297 1.00 0.00 C ATOM 483 CD LYS A 35 10.777 -15.150 7.356 1.00 0.00 C ATOM 484 CE LYS A 35 11.720 -15.336 8.535 1.00 0.00 C ATOM 485 NZ LYS A 35 10.984 -15.656 9.789 1.00 0.00 N ATOM 0 H LYS A 35 8.932 -14.808 2.903 1.00 0.00 H new ATOM 0 HA LYS A 35 8.814 -14.315 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.881 -15.545 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.309 -13.918 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.456 -14.408 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.230 -13.201 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.835 -14.727 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.547 -16.121 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.425 -16.137 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.305 -14.428 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.662 -15.775 10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.329 -14.880 10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.446 -16.537 9.661 1.00 0.00 H new ATOM 499 N GLY A 36 8.013 -12.293 3.892 1.00 0.00 N ATOM 500 CA GLY A 36 7.767 -10.908 3.535 1.00 0.00 C ATOM 501 C GLY A 36 8.744 -10.397 2.495 1.00 0.00 C ATOM 502 O GLY A 36 8.968 -9.191 2.384 1.00 0.00 O ATOM 0 H GLY A 36 7.277 -12.943 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.750 -10.809 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.835 -10.288 4.429 1.00 0.00 H new ATOM 506 N ARG A 37 9.328 -11.315 1.732 1.00 0.00 N ATOM 507 CA ARG A 37 10.289 -10.949 0.698 1.00 0.00 C ATOM 508 C ARG A 37 9.596 -10.243 -0.463 1.00 0.00 C ATOM 509 O ARG A 37 10.068 -9.215 -0.951 1.00 0.00 O ATOM 510 CB ARG A 37 11.020 -12.192 0.189 1.00 0.00 C ATOM 511 CG ARG A 37 10.141 -13.125 -0.628 1.00 0.00 C ATOM 512 CD ARG A 37 10.797 -14.483 -0.823 1.00 0.00 C ATOM 513 NE ARG A 37 9.904 -15.435 -1.475 1.00 0.00 N ATOM 514 CZ ARG A 37 10.268 -16.662 -1.830 1.00 0.00 C ATOM 515 NH1 ARG A 37 11.503 -17.083 -1.596 1.00 0.00 N ATOM 516 NH2 ARG A 37 9.397 -17.470 -2.420 1.00 0.00 N ATOM 0 H ARG A 37 9.153 -12.317 1.810 1.00 0.00 H new ATOM 0 HA ARG A 37 11.014 -10.263 1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.868 -11.880 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.423 -12.740 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.181 -13.252 -0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.937 -12.676 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.701 -14.366 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.104 -14.879 0.145 1.00 0.00 H new ATOM 0 HE ARG A 37 8.947 -15.142 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.175 -16.464 -1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.781 -18.026 -1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.446 -17.149 -2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.678 -18.412 -2.692 1.00 0.00 H new ATOM 530 N LEU A 38 8.473 -10.800 -0.903 1.00 0.00 N ATOM 531 CA LEU A 38 7.714 -10.225 -2.007 1.00 0.00 C ATOM 532 C LEU A 38 7.378 -8.762 -1.734 1.00 0.00 C ATOM 533 O LEU A 38 7.374 -7.936 -2.646 1.00 0.00 O ATOM 534 CB LEU A 38 6.427 -11.020 -2.238 1.00 0.00 C ATOM 535 CG LEU A 38 6.555 -12.263 -3.119 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.466 -13.270 -2.783 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.498 -11.882 -4.591 1.00 0.00 C ATOM 0 H LEU A 38 8.068 -11.650 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 38 8.331 -10.276 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.033 -11.325 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.689 -10.355 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 38 7.522 -12.726 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.573 -14.148 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.555 -13.567 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.488 -12.818 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.591 -12.779 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.547 -11.394 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.316 -11.199 -4.822 1.00 0.00 H new ATOM 549 N ILE A 39 7.101 -8.450 -0.472 1.00 0.00 N ATOM 550 CA ILE A 39 6.768 -7.086 -0.079 1.00 0.00 C ATOM 551 C ILE A 39 8.027 -6.274 0.209 1.00 0.00 C ATOM 552 O ILE A 39 8.160 -5.137 -0.241 1.00 0.00 O ATOM 553 CB ILE A 39 5.861 -7.065 1.166 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.432 -7.460 0.788 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.883 -5.689 1.814 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.716 -6.417 -0.041 1.00 0.00 C ATOM 0 H ILE A 39 7.101 -9.122 0.295 1.00 0.00 H new ATOM 0 HA ILE A 39 6.233 -6.638 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 39 6.240 -7.790 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.458 -8.398 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.861 -7.643 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.237 -5.690 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.902 -5.444 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.525 -4.946 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.709 -6.764 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.659 -5.484 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.264 -6.250 -0.968 1.00 0.00 H new ATOM 568 N ARG A 40 8.948 -6.869 0.960 1.00 0.00 N ATOM 569 CA ARG A 40 10.197 -6.201 1.307 1.00 0.00 C ATOM 570 C ARG A 40 10.830 -5.557 0.077 1.00 0.00 C ATOM 571 O ARG A 40 11.457 -4.503 0.170 1.00 0.00 O ATOM 572 CB ARG A 40 11.174 -7.197 1.935 1.00 0.00 C ATOM 573 CG ARG A 40 11.054 -7.297 3.447 1.00 0.00 C ATOM 574 CD ARG A 40 12.381 -7.668 4.089 1.00 0.00 C ATOM 575 NE ARG A 40 12.268 -7.808 5.538 1.00 0.00 N ATOM 576 CZ ARG A 40 12.291 -6.783 6.381 1.00 0.00 C ATOM 577 NH1 ARG A 40 12.421 -5.546 5.921 1.00 0.00 N ATOM 578 NH2 ARG A 40 12.182 -6.992 7.686 1.00 0.00 N ATOM 0 H ARG A 40 8.853 -7.811 1.339 1.00 0.00 H new ATOM 0 HA ARG A 40 9.972 -5.417 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.005 -8.182 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.192 -6.905 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.708 -6.345 3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.303 -8.044 3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.741 -8.604 3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.123 -6.904 3.855 1.00 0.00 H new ATOM 0 HE ARG A 40 12.166 -8.746 5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.503 -5.381 4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.438 -4.760 6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.080 -7.942 8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.200 -6.203 8.332 1.00 0.00 H new ATOM 592 N SER A 41 10.661 -6.201 -1.074 1.00 0.00 N ATOM 593 CA SER A 41 11.220 -5.694 -2.321 1.00 0.00 C ATOM 594 C SER A 41 10.511 -4.415 -2.755 1.00 0.00 C ATOM 595 O SER A 41 11.103 -3.336 -2.763 1.00 0.00 O ATOM 596 CB SER A 41 11.107 -6.751 -3.422 1.00 0.00 C ATOM 597 OG SER A 41 11.783 -6.339 -4.598 1.00 0.00 O ATOM 0 H SER A 41 10.142 -7.074 -1.168 1.00 0.00 H new ATOM 0 HA SER A 41 12.272 -5.466 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.526 -7.694 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.057 -6.934 -3.648 1.00 0.00 H new ATOM 0 HG SER A 41 11.697 -7.033 -5.285 1.00 0.00 H new ATOM 603 N ILE A 42 9.238 -4.544 -3.113 1.00 0.00 N ATOM 604 CA ILE A 42 8.446 -3.400 -3.546 1.00 0.00 C ATOM 605 C ILE A 42 8.752 -2.169 -2.700 1.00 0.00 C ATOM 606 O ILE A 42 8.914 -1.067 -3.224 1.00 0.00 O ATOM 607 CB ILE A 42 6.937 -3.698 -3.472 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.590 -4.906 -4.345 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.134 -2.478 -3.901 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.141 -5.329 -4.242 1.00 0.00 C ATOM 0 H ILE A 42 8.733 -5.430 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 42 8.718 -3.203 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 42 6.678 -3.934 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.818 -4.671 -5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.226 -5.744 -4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.069 -2.704 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.363 -1.641 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.394 -2.214 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.967 -6.190 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.912 -5.596 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.499 -4.506 -4.555 1.00 0.00 H new ATOM 622 N MET A 43 8.832 -2.364 -1.388 1.00 0.00 N ATOM 623 CA MET A 43 9.122 -1.270 -0.469 1.00 0.00 C ATOM 624 C MET A 43 10.434 -0.583 -0.837 1.00 0.00 C ATOM 625 O MET A 43 10.543 0.641 -0.773 1.00 0.00 O ATOM 626 CB MET A 43 9.189 -1.787 0.969 1.00 0.00 C ATOM 627 CG MET A 43 7.846 -2.241 1.516 1.00 0.00 C ATOM 628 SD MET A 43 7.729 -2.065 3.307 1.00 0.00 S ATOM 629 CE MET A 43 8.983 -3.228 3.843 1.00 0.00 C ATOM 0 H MET A 43 8.700 -3.270 -0.937 1.00 0.00 H new ATOM 0 HA MET A 43 8.316 -0.540 -0.547 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.891 -2.620 1.014 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.586 -1.001 1.611 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.052 -1.661 1.045 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.682 -3.284 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.069 -3.195 4.929 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.703 -4.234 3.531 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.941 -2.963 3.395 1.00 0.00 H new ATOM 639 N GLU A 44 11.425 -1.381 -1.223 1.00 0.00 N ATOM 640 CA GLU A 44 12.730 -0.848 -1.600 1.00 0.00 C ATOM 641 C GLU A 44 12.733 -0.399 -3.058 1.00 0.00 C ATOM 642 O GLU A 44 12.937 0.778 -3.356 1.00 0.00 O ATOM 643 CB GLU A 44 13.818 -1.899 -1.376 1.00 0.00 C ATOM 644 CG GLU A 44 15.229 -1.356 -1.529 1.00 0.00 C ATOM 645 CD GLU A 44 15.487 -0.146 -0.651 1.00 0.00 C ATOM 646 OE1 GLU A 44 15.402 -0.282 0.586 1.00 0.00 O ATOM 647 OE2 GLU A 44 15.772 0.936 -1.204 1.00 0.00 O ATOM 0 H GLU A 44 11.350 -2.396 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 44 12.937 0.018 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.706 -2.319 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.673 -2.716 -2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.945 -2.140 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.400 -1.087 -2.571 1.00 0.00 H new ATOM 654 N GLU A 45 12.505 -1.345 -3.963 1.00 0.00 N ATOM 655 CA GLU A 45 12.484 -1.048 -5.391 1.00 0.00 C ATOM 656 C GLU A 45 11.816 0.300 -5.655 1.00 0.00 C ATOM 657 O GLU A 45 12.336 1.125 -6.408 1.00 0.00 O ATOM 658 CB GLU A 45 11.749 -2.152 -6.154 1.00 0.00 C ATOM 659 CG GLU A 45 12.464 -3.492 -6.123 1.00 0.00 C ATOM 660 CD GLU A 45 13.441 -3.659 -7.271 1.00 0.00 C ATOM 661 OE1 GLU A 45 13.205 -3.063 -8.343 1.00 0.00 O ATOM 662 OE2 GLU A 45 14.441 -4.385 -7.096 1.00 0.00 O ATOM 0 H GLU A 45 12.332 -2.324 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 45 13.515 -0.999 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.751 -2.272 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.621 -1.842 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.999 -3.593 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.727 -4.294 -6.159 1.00 0.00 H new ATOM 669 N CYS A 46 10.663 0.513 -5.033 1.00 0.00 N ATOM 670 CA CYS A 46 9.922 1.759 -5.202 1.00 0.00 C ATOM 671 C CYS A 46 10.745 2.950 -4.722 1.00 0.00 C ATOM 672 O CYS A 46 11.016 3.877 -5.483 1.00 0.00 O ATOM 673 CB CYS A 46 8.599 1.696 -4.438 1.00 0.00 C ATOM 674 SG CYS A 46 7.254 0.907 -5.352 1.00 0.00 S ATOM 0 H CYS A 46 10.220 -0.160 -4.407 1.00 0.00 H new ATOM 0 HA CYS A 46 9.714 1.889 -6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.756 1.155 -3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.297 2.709 -4.172 1.00 0.00 H new ATOM 0 HG CYS A 46 6.334 0.517 -4.520 1.00 0.00 H new ATOM 680 N GLY A 47 11.140 2.917 -3.453 1.00 0.00 N ATOM 681 CA GLY A 47 11.927 4.000 -2.893 1.00 0.00 C ATOM 682 C GLY A 47 12.286 3.764 -1.440 1.00 0.00 C ATOM 683 O GLY A 47 13.325 4.225 -0.967 1.00 0.00 O ATOM 0 H GLY A 47 10.929 2.160 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.841 4.120 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.370 4.933 -2.980 1.00 0.00 H new ATOM 687 N GLY A 48 11.424 3.045 -0.728 1.00 0.00 N ATOM 688 CA GLY A 48 11.673 2.763 0.675 1.00 0.00 C ATOM 689 C GLY A 48 10.477 3.079 1.551 1.00 0.00 C ATOM 690 O GLY A 48 10.611 3.729 2.587 1.00 0.00 O ATOM 0 H GLY A 48 10.558 2.653 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.936 1.711 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.531 3.345 1.013 1.00 0.00 H new ATOM 694 N VAL A 49 9.302 2.618 1.133 1.00 0.00 N ATOM 695 CA VAL A 49 8.076 2.855 1.887 1.00 0.00 C ATOM 696 C VAL A 49 7.842 1.755 2.917 1.00 0.00 C ATOM 697 O VAL A 49 8.379 0.654 2.795 1.00 0.00 O ATOM 698 CB VAL A 49 6.852 2.941 0.956 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.072 3.992 -0.120 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.561 1.583 0.335 1.00 0.00 C ATOM 0 H VAL A 49 9.173 2.079 0.277 1.00 0.00 H new ATOM 0 HA VAL A 49 8.200 3.808 2.401 1.00 0.00 H new ATOM 0 HB VAL A 49 5.986 3.238 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.197 4.038 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.229 4.964 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.948 3.728 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.693 1.661 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.424 1.255 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.357 0.859 1.123 1.00 0.00 H new ATOM 710 N HIS A 50 7.037 2.061 3.929 1.00 0.00 N ATOM 711 CA HIS A 50 6.731 1.097 4.979 1.00 0.00 C ATOM 712 C HIS A 50 5.250 0.731 4.966 1.00 0.00 C ATOM 713 O HIS A 50 4.390 1.578 5.210 1.00 0.00 O ATOM 714 CB HIS A 50 7.116 1.663 6.347 1.00 0.00 C ATOM 715 CG HIS A 50 8.550 2.086 6.438 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.324 1.883 7.561 1.00 0.00 N ATOM 717 CD2 HIS A 50 9.350 2.703 5.538 1.00 0.00 C ATOM 718 CE1 HIS A 50 10.538 2.359 7.347 1.00 0.00 C ATOM 719 NE2 HIS A 50 10.580 2.861 6.127 1.00 0.00 N ATOM 0 H HIS A 50 6.585 2.968 4.044 1.00 0.00 H new ATOM 0 HA HIS A 50 7.312 0.194 4.790 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.479 2.519 6.570 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.918 0.911 7.111 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.073 3.013 4.541 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.357 2.340 8.051 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.394 3.296 5.692 1.00 0.00 H new ATOM 727 N ILE A 51 4.961 -0.534 4.679 1.00 0.00 N ATOM 728 CA ILE A 51 3.585 -1.011 4.634 1.00 0.00 C ATOM 729 C ILE A 51 3.171 -1.623 5.969 1.00 0.00 C ATOM 730 O ILE A 51 3.931 -2.376 6.580 1.00 0.00 O ATOM 731 CB ILE A 51 3.386 -2.055 3.520 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.911 -1.516 2.186 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.918 -2.434 3.403 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.109 -2.587 1.137 1.00 0.00 C ATOM 0 H ILE A 51 5.662 -1.247 4.474 1.00 0.00 H new ATOM 0 HA ILE A 51 2.958 -0.144 4.424 1.00 0.00 H new ATOM 0 HB ILE A 51 3.952 -2.950 3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.213 -0.770 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.859 -1.007 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.795 -3.173 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.574 -2.855 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.331 -1.547 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.482 -2.133 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.830 -3.321 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.158 -3.081 0.937 1.00 0.00 H new ATOM 746 N HIS A 52 1.962 -1.298 6.413 1.00 0.00 N ATOM 747 CA HIS A 52 1.445 -1.818 7.675 1.00 0.00 C ATOM 748 C HIS A 52 0.280 -2.773 7.432 1.00 0.00 C ATOM 749 O HIS A 52 -0.756 -2.381 6.894 1.00 0.00 O ATOM 750 CB HIS A 52 0.998 -0.670 8.580 1.00 0.00 C ATOM 751 CG HIS A 52 2.127 -0.017 9.319 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.477 -0.356 10.609 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.985 0.959 8.942 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.501 0.384 10.993 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.829 1.190 10.000 1.00 0.00 N ATOM 0 H HIS A 52 1.321 -0.677 5.919 1.00 0.00 H new ATOM 0 HA HIS A 52 2.247 -2.368 8.168 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.487 0.080 7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.272 -1.047 9.301 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.003 1.463 7.987 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.988 0.338 11.956 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.586 1.873 10.016 1.00 0.00 H new ATOM 763 N PHE A 53 0.457 -4.028 7.832 1.00 0.00 N ATOM 764 CA PHE A 53 -0.579 -5.038 7.655 1.00 0.00 C ATOM 765 C PHE A 53 -1.154 -5.468 9.003 1.00 0.00 C ATOM 766 O PHE A 53 -0.428 -5.728 9.962 1.00 0.00 O ATOM 767 CB PHE A 53 -0.015 -6.255 6.918 1.00 0.00 C ATOM 768 CG PHE A 53 -0.071 -6.128 5.423 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.238 -6.412 4.733 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.045 -5.724 4.707 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.291 -6.297 3.357 1.00 0.00 C ATOM 772 CE2 PHE A 53 0.997 -5.607 3.331 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.172 -5.893 2.655 1.00 0.00 C ATOM 0 H PHE A 53 1.307 -4.369 8.280 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.380 -4.600 7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.020 -6.407 7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.570 -7.143 7.220 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.116 -6.727 5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.962 -5.498 5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.207 -6.523 2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.874 -5.292 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.212 -5.801 1.580 1.00 0.00 H new ATOM 783 N PRO A 54 -2.491 -5.543 9.078 1.00 0.00 N ATOM 784 CA PRO A 54 -3.194 -5.941 10.301 1.00 0.00 C ATOM 785 C PRO A 54 -2.995 -7.415 10.632 1.00 0.00 C ATOM 786 O PRO A 54 -2.584 -8.203 9.780 1.00 0.00 O ATOM 787 CB PRO A 54 -4.663 -5.659 9.974 1.00 0.00 C ATOM 788 CG PRO A 54 -4.743 -5.744 8.488 1.00 0.00 C ATOM 789 CD PRO A 54 -3.420 -5.248 7.974 1.00 0.00 C ATOM 0 HA PRO A 54 -2.827 -5.403 11.175 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.321 -6.387 10.448 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.966 -4.675 10.331 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.928 -6.768 8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.563 -5.136 8.106 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.129 -5.759 7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.451 -4.182 7.749 1.00 0.00 H new ATOM 797 N VAL A 55 -3.289 -7.784 11.875 1.00 0.00 N ATOM 798 CA VAL A 55 -3.143 -9.165 12.318 1.00 0.00 C ATOM 799 C VAL A 55 -4.308 -10.023 11.835 1.00 0.00 C ATOM 800 O VAL A 55 -5.463 -9.600 11.883 1.00 0.00 O ATOM 801 CB VAL A 55 -3.054 -9.256 13.853 1.00 0.00 C ATOM 802 CG1 VAL A 55 -3.007 -10.709 14.300 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.841 -8.492 14.362 1.00 0.00 C ATOM 0 H VAL A 55 -3.630 -7.145 12.593 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.215 -9.540 11.885 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.947 -8.799 14.280 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.944 -10.753 15.387 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.910 -11.221 13.967 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.133 -11.195 13.866 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.793 -8.567 15.448 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.935 -8.917 13.929 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.924 -7.444 14.074 1.00 0.00 H new ATOM 813 N GLU A 56 -3.996 -11.229 11.372 1.00 0.00 N ATOM 814 CA GLU A 56 -5.018 -12.145 10.881 1.00 0.00 C ATOM 815 C GLU A 56 -6.129 -12.324 11.911 1.00 0.00 C ATOM 816 O GLU A 56 -7.307 -12.132 11.611 1.00 0.00 O ATOM 817 CB GLU A 56 -4.398 -13.502 10.543 1.00 0.00 C ATOM 818 CG GLU A 56 -3.461 -13.463 9.346 1.00 0.00 C ATOM 819 CD GLU A 56 -2.027 -13.167 9.737 1.00 0.00 C ATOM 820 OE1 GLU A 56 -1.399 -14.029 10.388 1.00 0.00 O ATOM 821 OE2 GLU A 56 -1.532 -12.075 9.391 1.00 0.00 O ATOM 0 H GLU A 56 -3.045 -11.594 11.327 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.450 -11.715 9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.850 -13.868 11.411 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.196 -14.218 10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.502 -14.420 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.806 -12.704 8.644 1.00 0.00 H new ATOM 828 N GLY A 57 -5.745 -12.695 13.129 1.00 0.00 N ATOM 829 CA GLY A 57 -6.719 -12.896 14.185 1.00 0.00 C ATOM 830 C GLY A 57 -7.684 -11.734 14.311 1.00 0.00 C ATOM 831 O GLY A 57 -8.874 -11.930 14.556 1.00 0.00 O ATOM 0 H GLY A 57 -4.776 -12.860 13.403 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.279 -13.810 13.989 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.199 -13.037 15.133 1.00 0.00 H new ATOM 835 N SER A 58 -7.171 -10.519 14.147 1.00 0.00 N ATOM 836 CA SER A 58 -7.994 -9.320 14.249 1.00 0.00 C ATOM 837 C SER A 58 -9.119 -9.344 13.218 1.00 0.00 C ATOM 838 O SER A 58 -10.296 -9.258 13.566 1.00 0.00 O ATOM 839 CB SER A 58 -7.136 -8.068 14.054 1.00 0.00 C ATOM 840 OG SER A 58 -7.668 -6.969 14.773 1.00 0.00 O ATOM 0 H SER A 58 -6.188 -10.339 13.943 1.00 0.00 H new ATOM 0 HA SER A 58 -8.437 -9.297 15.245 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.117 -8.266 14.387 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.082 -7.821 12.994 1.00 0.00 H new ATOM 0 HG SER A 58 -7.101 -6.182 14.634 1.00 0.00 H new ATOM 846 N GLY A 59 -8.747 -9.462 11.948 1.00 0.00 N ATOM 847 CA GLY A 59 -9.735 -9.495 10.886 1.00 0.00 C ATOM 848 C GLY A 59 -9.925 -8.143 10.227 1.00 0.00 C ATOM 849 O GLY A 59 -11.048 -7.747 9.919 1.00 0.00 O ATOM 0 H GLY A 59 -7.779 -9.535 11.635 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.431 -10.223 10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.688 -9.835 11.291 1.00 0.00 H new ATOM 853 N SER A 60 -8.823 -7.432 10.013 1.00 0.00 N ATOM 854 CA SER A 60 -8.872 -6.113 9.391 1.00 0.00 C ATOM 855 C SER A 60 -8.336 -6.165 7.964 1.00 0.00 C ATOM 856 O SER A 60 -7.181 -6.524 7.735 1.00 0.00 O ATOM 857 CB SER A 60 -8.067 -5.108 10.214 1.00 0.00 C ATOM 858 OG SER A 60 -7.968 -3.862 9.545 1.00 0.00 O ATOM 0 H SER A 60 -7.885 -7.747 10.261 1.00 0.00 H new ATOM 0 HA SER A 60 -9.913 -5.793 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.541 -4.966 11.185 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.069 -5.504 10.402 1.00 0.00 H new ATOM 0 HG SER A 60 -7.450 -3.237 10.093 1.00 0.00 H new ATOM 864 N ASP A 61 -9.184 -5.804 7.007 1.00 0.00 N ATOM 865 CA ASP A 61 -8.798 -5.807 5.601 1.00 0.00 C ATOM 866 C ASP A 61 -8.316 -4.426 5.166 1.00 0.00 C ATOM 867 O ASP A 61 -8.621 -3.969 4.064 1.00 0.00 O ATOM 868 CB ASP A 61 -9.971 -6.250 4.727 1.00 0.00 C ATOM 869 CG ASP A 61 -11.309 -5.817 5.293 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.705 -4.655 5.059 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.961 -6.639 5.970 1.00 0.00 O ATOM 0 H ASP A 61 -10.144 -5.505 7.180 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.978 -6.514 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.852 -5.835 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.956 -7.335 4.626 1.00 0.00 H new ATOM 876 N THR A 62 -7.565 -3.764 6.041 1.00 0.00 N ATOM 877 CA THR A 62 -7.044 -2.435 5.749 1.00 0.00 C ATOM 878 C THR A 62 -5.519 -2.433 5.731 1.00 0.00 C ATOM 879 O THR A 62 -4.877 -2.950 6.645 1.00 0.00 O ATOM 880 CB THR A 62 -7.534 -1.400 6.779 1.00 0.00 C ATOM 881 OG1 THR A 62 -8.963 -1.315 6.746 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.933 -0.031 6.500 1.00 0.00 C ATOM 0 H THR A 62 -7.304 -4.127 6.958 1.00 0.00 H new ATOM 0 HA THR A 62 -7.417 -2.160 4.762 1.00 0.00 H new ATOM 0 HB THR A 62 -7.212 -1.725 7.768 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.267 -0.656 7.405 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.294 0.683 7.241 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.846 -0.093 6.555 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.228 0.300 5.504 1.00 0.00 H new ATOM 890 N VAL A 63 -4.945 -1.848 4.684 1.00 0.00 N ATOM 891 CA VAL A 63 -3.495 -1.777 4.548 1.00 0.00 C ATOM 892 C VAL A 63 -3.017 -0.331 4.509 1.00 0.00 C ATOM 893 O VAL A 63 -3.234 0.381 3.529 1.00 0.00 O ATOM 894 CB VAL A 63 -3.015 -2.500 3.275 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.509 -2.359 3.117 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.421 -3.965 3.310 1.00 0.00 C ATOM 0 H VAL A 63 -5.462 -1.417 3.918 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.070 -2.273 5.421 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.492 -2.035 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.188 -2.876 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.248 -1.303 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.010 -2.797 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.074 -4.460 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.974 -4.446 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.507 -4.040 3.372 1.00 0.00 H new ATOM 906 N VAL A 64 -2.362 0.100 5.584 1.00 0.00 N ATOM 907 CA VAL A 64 -1.850 1.462 5.673 1.00 0.00 C ATOM 908 C VAL A 64 -0.383 1.526 5.262 1.00 0.00 C ATOM 909 O VAL A 64 0.471 0.886 5.876 1.00 0.00 O ATOM 910 CB VAL A 64 -1.999 2.025 7.098 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.268 3.353 7.226 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.467 2.179 7.461 1.00 0.00 C ATOM 0 H VAL A 64 -2.174 -0.475 6.405 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.442 2.068 4.988 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.549 1.320 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.384 3.736 8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.209 3.208 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.686 4.068 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.552 2.578 8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.945 2.862 6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.958 1.207 7.412 1.00 0.00 H new ATOM 922 N ILE A 65 -0.100 2.302 4.221 1.00 0.00 N ATOM 923 CA ILE A 65 1.265 2.451 3.730 1.00 0.00 C ATOM 924 C ILE A 65 1.825 3.826 4.073 1.00 0.00 C ATOM 925 O ILE A 65 1.120 4.832 3.999 1.00 0.00 O ATOM 926 CB ILE A 65 1.339 2.244 2.205 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.734 0.893 1.822 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.781 2.339 1.728 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.389 0.780 0.353 1.00 0.00 C ATOM 0 H ILE A 65 -0.796 2.837 3.702 1.00 0.00 H new ATOM 0 HA ILE A 65 1.864 1.685 4.222 1.00 0.00 H new ATOM 0 HB ILE A 65 0.762 3.030 1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.437 0.102 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.167 0.727 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.818 2.191 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.181 3.323 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.378 1.572 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.035 -0.204 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.338 1.549 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.291 0.914 -0.244 1.00 0.00 H new ATOM 941 N ARG A 66 3.100 3.863 4.449 1.00 0.00 N ATOM 942 CA ARG A 66 3.757 5.115 4.803 1.00 0.00 C ATOM 943 C ARG A 66 4.962 5.370 3.903 1.00 0.00 C ATOM 944 O ARG A 66 5.624 4.435 3.454 1.00 0.00 O ATOM 945 CB ARG A 66 4.197 5.088 6.268 1.00 0.00 C ATOM 946 CG ARG A 66 3.143 5.612 7.230 1.00 0.00 C ATOM 947 CD ARG A 66 3.252 4.946 8.592 1.00 0.00 C ATOM 948 NE ARG A 66 2.776 5.814 9.666 1.00 0.00 N ATOM 949 CZ ARG A 66 2.564 5.396 10.909 1.00 0.00 C ATOM 950 NH1 ARG A 66 2.785 4.130 11.233 1.00 0.00 N ATOM 951 NH2 ARG A 66 2.131 6.247 11.831 1.00 0.00 N ATOM 0 H ARG A 66 3.698 3.040 4.516 1.00 0.00 H new ATOM 0 HA ARG A 66 3.042 5.925 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.451 4.065 6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.104 5.682 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.254 6.691 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.150 5.435 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.675 4.021 8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.290 4.673 8.780 1.00 0.00 H new ATOM 0 HE ARG A 66 2.597 6.795 9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.119 3.474 10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.621 3.812 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.961 7.222 11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.968 5.926 12.785 1.00 0.00 H new ATOM 965 N GLY A 67 5.242 6.645 3.644 1.00 0.00 N ATOM 966 CA GLY A 67 6.367 7.000 2.799 1.00 0.00 C ATOM 967 C GLY A 67 6.048 8.145 1.859 1.00 0.00 C ATOM 968 O GLY A 67 5.003 8.788 1.963 1.00 0.00 O ATOM 0 H GLY A 67 4.710 7.437 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.216 7.274 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.669 6.129 2.217 1.00 0.00 H new ATOM 972 N PRO A 68 6.962 8.415 0.916 1.00 0.00 N ATOM 973 CA PRO A 68 6.794 9.492 -0.064 1.00 0.00 C ATOM 974 C PRO A 68 5.696 9.188 -1.077 1.00 0.00 C ATOM 975 O PRO A 68 5.783 8.216 -1.828 1.00 0.00 O ATOM 976 CB PRO A 68 8.158 9.556 -0.757 1.00 0.00 C ATOM 977 CG PRO A 68 8.732 8.192 -0.592 1.00 0.00 C ATOM 978 CD PRO A 68 8.230 7.689 0.734 1.00 0.00 C ATOM 0 HA PRO A 68 6.495 10.429 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.055 9.817 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.798 10.312 -0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.417 7.535 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.821 8.222 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.077 6.610 0.723 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.934 7.903 1.538 1.00 0.00 H new ATOM 986 N SER A 69 4.665 10.026 -1.095 1.00 0.00 N ATOM 987 CA SER A 69 3.548 9.845 -2.015 1.00 0.00 C ATOM 988 C SER A 69 4.043 9.414 -3.392 1.00 0.00 C ATOM 989 O SER A 69 3.344 8.715 -4.125 1.00 0.00 O ATOM 990 CB SER A 69 2.741 11.138 -2.131 1.00 0.00 C ATOM 991 OG SER A 69 3.595 12.267 -2.213 1.00 0.00 O ATOM 0 H SER A 69 4.580 10.837 -0.483 1.00 0.00 H new ATOM 0 HA SER A 69 2.905 9.059 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.104 11.095 -3.015 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.083 11.238 -1.268 1.00 0.00 H new ATOM 0 HG SER A 69 3.055 13.081 -2.288 1.00 0.00 H new ATOM 997 N SER A 70 5.254 9.840 -3.738 1.00 0.00 N ATOM 998 CA SER A 70 5.843 9.503 -5.029 1.00 0.00 C ATOM 999 C SER A 70 6.021 7.993 -5.168 1.00 0.00 C ATOM 1000 O SER A 70 5.704 7.413 -6.206 1.00 0.00 O ATOM 1001 CB SER A 70 7.192 10.205 -5.196 1.00 0.00 C ATOM 1002 OG SER A 70 7.529 10.342 -6.567 1.00 0.00 O ATOM 0 H SER A 70 5.846 10.419 -3.142 1.00 0.00 H new ATOM 0 HA SER A 70 5.164 9.844 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.154 11.188 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.967 9.637 -4.683 1.00 0.00 H new ATOM 0 HG SER A 70 8.394 10.795 -6.647 1.00 0.00 H new ATOM 1008 N ASP A 71 6.530 7.365 -4.114 1.00 0.00 N ATOM 1009 CA ASP A 71 6.750 5.924 -4.117 1.00 0.00 C ATOM 1010 C ASP A 71 5.510 5.184 -3.623 1.00 0.00 C ATOM 1011 O ASP A 71 5.304 4.013 -3.944 1.00 0.00 O ATOM 1012 CB ASP A 71 7.952 5.568 -3.240 1.00 0.00 C ATOM 1013 CG ASP A 71 9.219 6.274 -3.682 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.431 6.404 -4.907 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.999 6.697 -2.804 1.00 0.00 O ATOM 0 H ASP A 71 6.798 7.831 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 71 6.953 5.615 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.734 5.832 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.112 4.490 -3.267 1.00 0.00 H new ATOM 1020 N VAL A 72 4.686 5.876 -2.843 1.00 0.00 N ATOM 1021 CA VAL A 72 3.466 5.284 -2.305 1.00 0.00 C ATOM 1022 C VAL A 72 2.466 4.983 -3.416 1.00 0.00 C ATOM 1023 O VAL A 72 1.902 3.891 -3.477 1.00 0.00 O ATOM 1024 CB VAL A 72 2.802 6.212 -1.270 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.616 5.519 -0.616 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.815 6.653 -0.224 1.00 0.00 C ATOM 0 H VAL A 72 4.840 6.846 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 72 3.754 4.353 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 72 2.435 7.100 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.159 6.189 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.882 5.257 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.956 4.614 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.329 7.308 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.213 5.777 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.630 7.190 -0.710 1.00 0.00 H new ATOM 1036 N GLU A 73 2.253 5.958 -4.293 1.00 0.00 N ATOM 1037 CA GLU A 73 1.320 5.797 -5.403 1.00 0.00 C ATOM 1038 C GLU A 73 1.624 4.525 -6.188 1.00 0.00 C ATOM 1039 O GLU A 73 0.724 3.748 -6.507 1.00 0.00 O ATOM 1040 CB GLU A 73 1.384 7.010 -6.333 1.00 0.00 C ATOM 1041 CG GLU A 73 2.422 6.880 -7.433 1.00 0.00 C ATOM 1042 CD GLU A 73 2.438 8.076 -8.366 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.079 9.183 -7.916 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.811 7.903 -9.545 1.00 0.00 O ATOM 0 H GLU A 73 2.713 6.868 -4.257 1.00 0.00 H new ATOM 0 HA GLU A 73 0.314 5.718 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.404 7.162 -6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.603 7.899 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.408 6.761 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.223 5.977 -8.010 1.00 0.00 H new ATOM 1051 N LYS A 74 2.900 4.318 -6.497 1.00 0.00 N ATOM 1052 CA LYS A 74 3.324 3.139 -7.243 1.00 0.00 C ATOM 1053 C LYS A 74 3.231 1.885 -6.382 1.00 0.00 C ATOM 1054 O LYS A 74 2.832 0.822 -6.857 1.00 0.00 O ATOM 1055 CB LYS A 74 4.759 3.319 -7.746 1.00 0.00 C ATOM 1056 CG LYS A 74 4.987 4.628 -8.482 1.00 0.00 C ATOM 1057 CD LYS A 74 6.392 4.709 -9.055 1.00 0.00 C ATOM 1058 CE LYS A 74 7.375 5.276 -8.043 1.00 0.00 C ATOM 1059 NZ LYS A 74 7.456 6.761 -8.120 1.00 0.00 N ATOM 0 H LYS A 74 3.658 4.951 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 74 2.656 3.021 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.442 3.265 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.009 2.491 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.259 4.725 -9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.822 5.463 -7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.718 3.716 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.386 5.334 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.073 4.980 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.363 4.849 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.379 7.077 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.347 7.064 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.699 7.180 -7.544 1.00 0.00 H new ATOM 1073 N ALA A 75 3.598 2.016 -5.111 1.00 0.00 N ATOM 1074 CA ALA A 75 3.551 0.894 -4.182 1.00 0.00 C ATOM 1075 C ALA A 75 2.122 0.397 -3.994 1.00 0.00 C ATOM 1076 O ALA A 75 1.897 -0.770 -3.671 1.00 0.00 O ATOM 1077 CB ALA A 75 4.154 1.292 -2.843 1.00 0.00 C ATOM 0 H ALA A 75 3.931 2.889 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 75 4.139 0.079 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.112 0.444 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.192 1.592 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.590 2.125 -2.423 1.00 0.00 H new ATOM 1083 N LYS A 76 1.158 1.288 -4.198 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.250 0.939 -4.052 1.00 0.00 C ATOM 1085 C LYS A 76 -0.743 0.149 -5.260 1.00 0.00 C ATOM 1086 O LYS A 76 -1.369 -0.901 -5.114 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.094 2.205 -3.879 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.544 2.030 -4.295 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.426 3.124 -3.715 1.00 0.00 C ATOM 1090 CE LYS A 76 -3.950 2.746 -2.338 1.00 0.00 C ATOM 1091 NZ LYS A 76 -4.411 3.938 -1.574 1.00 0.00 N ATOM 0 H LYS A 76 1.326 2.258 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.354 0.315 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.059 2.515 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.651 3.010 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.616 2.042 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.904 1.056 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.859 4.052 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.265 3.311 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.775 2.041 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.166 2.237 -1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.185 3.813 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.931 4.788 -1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.439 4.047 -1.687 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.456 0.659 -6.453 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.867 -0.001 -7.687 1.00 0.00 C ATOM 1107 C LYS A 77 -0.223 -1.378 -7.808 1.00 0.00 C ATOM 1108 O LYS A 77 -0.814 -2.302 -8.365 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.494 0.858 -8.897 1.00 0.00 C ATOM 1110 CG LYS A 77 0.990 0.841 -9.220 1.00 0.00 C ATOM 1111 CD LYS A 77 1.265 1.387 -10.610 1.00 0.00 C ATOM 1112 CE LYS A 77 0.893 2.857 -10.716 1.00 0.00 C ATOM 1113 NZ LYS A 77 0.634 3.265 -12.125 1.00 0.00 N ATOM 0 H LYS A 77 0.060 1.528 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.949 -0.128 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.051 0.508 -9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.805 1.886 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.531 1.434 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.367 -0.179 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.321 1.260 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.700 0.814 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.006 3.051 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.698 3.466 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.384 4.274 -12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.488 3.104 -12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.151 2.702 -12.511 1.00 0.00 H new ATOM 1127 N GLN A 78 0.991 -1.506 -7.283 1.00 0.00 N ATOM 1128 CA GLN A 78 1.715 -2.772 -7.333 1.00 0.00 C ATOM 1129 C GLN A 78 1.082 -3.798 -6.398 1.00 0.00 C ATOM 1130 O GLN A 78 1.079 -4.996 -6.684 1.00 0.00 O ATOM 1131 CB GLN A 78 3.182 -2.560 -6.957 1.00 0.00 C ATOM 1132 CG GLN A 78 4.022 -1.987 -8.087 1.00 0.00 C ATOM 1133 CD GLN A 78 5.509 -2.181 -7.866 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.046 -3.266 -8.095 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.184 -1.130 -7.417 1.00 0.00 N ATOM 0 H GLN A 78 1.494 -0.750 -6.819 1.00 0.00 H new ATOM 0 HA GLN A 78 1.660 -3.153 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.236 -1.889 -6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.610 -3.512 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.733 -2.461 -9.025 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.810 -0.923 -8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.699 -0.250 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.187 -1.202 -7.248 1.00 0.00 H new ATOM 1144 N LEU A 79 0.547 -3.321 -5.280 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.090 -4.197 -4.301 1.00 0.00 C ATOM 1146 C LEU A 79 -1.441 -4.688 -4.809 1.00 0.00 C ATOM 1147 O LEU A 79 -1.732 -5.885 -4.774 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.267 -3.464 -2.971 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.222 -4.334 -1.715 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.203 -4.457 -1.200 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.133 -3.763 -0.637 1.00 0.00 C ATOM 0 H LEU A 79 0.541 -2.333 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 79 0.556 -5.062 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.511 -2.705 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.223 -2.940 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.579 -5.330 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.214 -5.080 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.829 -4.912 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.589 -3.467 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.088 -4.395 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.806 -2.755 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.158 -3.729 -1.007 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.264 -3.758 -5.281 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.585 -4.096 -5.798 1.00 0.00 C ATOM 1165 C LEU A 80 -3.488 -5.160 -6.887 1.00 0.00 C ATOM 1166 O LEU A 80 -4.183 -6.177 -6.841 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.274 -2.847 -6.351 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.132 -2.060 -5.360 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.255 -1.337 -4.350 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.026 -1.072 -6.096 1.00 0.00 C ATOM 0 H LEU A 80 -2.039 -2.764 -5.316 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.177 -4.496 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.509 -2.180 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.904 -3.145 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.767 -2.763 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.884 -0.783 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.658 -2.064 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.594 -0.645 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.630 -0.521 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.409 -0.374 -6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.681 -1.613 -6.779 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.620 -4.921 -7.866 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.430 -5.861 -8.965 1.00 0.00 C ATOM 1184 C HIS A 81 -2.071 -7.247 -8.438 1.00 0.00 C ATOM 1185 O HIS A 81 -2.776 -8.223 -8.697 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.334 -5.361 -9.907 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.498 -5.832 -11.319 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.699 -5.783 -11.994 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.603 -6.361 -12.185 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -2.536 -6.264 -13.214 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -1.273 -6.622 -13.355 1.00 0.00 N ATOM 0 H HIS A 81 -2.038 -4.085 -7.920 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.368 -5.933 -9.516 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.325 -4.271 -9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.365 -5.692 -9.532 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.444 -6.544 -11.992 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -3.305 -6.350 -13.967 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.862 -7.027 -14.196 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.969 -7.327 -7.701 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.515 -8.595 -7.138 1.00 0.00 C ATOM 1201 C LEU A 82 -1.634 -9.274 -6.355 1.00 0.00 C ATOM 1202 O LEU A 82 -2.063 -10.376 -6.697 1.00 0.00 O ATOM 1203 CB LEU A 82 0.694 -8.368 -6.229 1.00 0.00 C ATOM 1204 CG LEU A 82 1.949 -7.817 -6.907 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.968 -7.377 -5.867 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.552 -8.858 -7.839 1.00 0.00 C ATOM 0 H LEU A 82 -0.373 -6.530 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.225 -9.247 -7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.403 -7.680 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.948 -9.315 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 82 1.666 -6.947 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.854 -6.988 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.534 -6.598 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.246 -8.229 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.444 -8.449 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.820 -9.747 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.824 -9.125 -8.605 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.103 -8.609 -5.305 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.174 -9.147 -4.475 1.00 0.00 C ATOM 1220 C ALA A 83 -4.212 -9.874 -5.324 1.00 0.00 C ATOM 1221 O ALA A 83 -4.763 -10.892 -4.907 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.832 -8.033 -3.674 1.00 0.00 C ATOM 0 H ALA A 83 -1.758 -7.696 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.738 -9.868 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.630 -8.449 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.089 -7.559 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.249 -7.292 -4.356 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.473 -9.345 -6.515 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.447 -9.944 -7.420 1.00 0.00 C ATOM 1230 C GLU A 84 -4.826 -11.101 -8.197 1.00 0.00 C ATOM 1231 O GLU A 84 -5.397 -12.189 -8.271 1.00 0.00 O ATOM 1232 CB GLU A 84 -5.986 -8.893 -8.393 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.653 -7.714 -7.706 1.00 0.00 C ATOM 1234 CD GLU A 84 -6.882 -6.545 -8.645 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -7.185 -6.789 -9.831 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -6.759 -5.387 -8.193 1.00 0.00 O ATOM 0 H GLU A 84 -4.024 -8.503 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.272 -10.331 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.166 -8.527 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.703 -9.365 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.608 -8.034 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.034 -7.388 -6.870 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.653 -10.858 -8.774 1.00 0.00 N ATOM 1244 CA GLU A 85 -2.956 -11.880 -9.546 1.00 0.00 C ATOM 1245 C GLU A 85 -2.927 -13.205 -8.793 1.00 0.00 C ATOM 1246 O GLU A 85 -3.485 -14.205 -9.248 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.529 -11.426 -9.861 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.456 -10.312 -10.892 1.00 0.00 C ATOM 1249 CD GLU A 85 -0.114 -10.257 -11.596 1.00 0.00 C ATOM 1250 OE1 GLU A 85 0.132 -11.109 -12.473 1.00 0.00 O ATOM 1251 OE2 GLU A 85 0.689 -9.357 -11.268 1.00 0.00 O ATOM 0 H GLU A 85 -3.166 -9.963 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.497 -12.027 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.053 -11.089 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.956 -12.281 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.244 -10.454 -11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.645 -9.356 -10.403 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.271 -13.208 -7.638 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.168 -14.410 -6.818 1.00 0.00 C ATOM 1260 C LYS A 86 -3.459 -15.219 -6.874 1.00 0.00 C ATOM 1261 O LYS A 86 -3.457 -16.383 -7.274 1.00 0.00 O ATOM 1262 CB LYS A 86 -1.849 -14.039 -5.369 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.360 -13.965 -5.073 1.00 0.00 C ATOM 1264 CD LYS A 86 0.311 -12.853 -5.862 1.00 0.00 C ATOM 1265 CE LYS A 86 1.767 -12.682 -5.455 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.552 -11.964 -6.497 1.00 0.00 N ATOM 0 H LYS A 86 -1.802 -12.391 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.359 -15.022 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.305 -13.075 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.307 -14.773 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.208 -13.798 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.108 -14.919 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.254 -13.075 -6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.225 -11.917 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.820 -12.131 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.212 -13.661 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.148 -11.241 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.155 -12.642 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.902 -11.507 -7.168 1.00 0.00 H new ATOM 1280 N GLN A 87 -4.561 -14.594 -6.472 1.00 0.00 N ATOM 1281 CA GLN A 87 -5.860 -15.257 -6.477 1.00 0.00 C ATOM 1282 C GLN A 87 -6.397 -15.392 -7.898 1.00 0.00 C ATOM 1283 O GLN A 87 -6.193 -14.513 -8.738 1.00 0.00 O ATOM 1284 CB GLN A 87 -6.857 -14.480 -5.615 1.00 0.00 C ATOM 1285 CG GLN A 87 -7.283 -13.154 -6.223 1.00 0.00 C ATOM 1286 CD GLN A 87 -8.612 -12.664 -5.683 1.00 0.00 C ATOM 1287 OE1 GLN A 87 -9.611 -13.384 -5.713 1.00 0.00 O ATOM 1288 NE2 GLN A 87 -8.632 -11.434 -5.183 1.00 0.00 N ATOM 0 H GLN A 87 -4.580 -13.630 -6.139 1.00 0.00 H new ATOM 0 HA GLN A 87 -5.731 -16.256 -6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.741 -15.096 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.412 -14.296 -4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.516 -12.405 -6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.352 -13.261 -7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.781 -10.872 -5.178 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.498 -11.052 -4.804 1.00 0.00 H new ATOM 1297 N THR A 88 -7.084 -16.499 -8.163 1.00 0.00 N ATOM 1298 CA THR A 88 -7.649 -16.749 -9.484 1.00 0.00 C ATOM 1299 C THR A 88 -8.808 -15.803 -9.775 1.00 0.00 C ATOM 1300 O THR A 88 -9.621 -15.510 -8.897 1.00 0.00 O ATOM 1301 CB THR A 88 -8.143 -18.202 -9.617 1.00 0.00 C ATOM 1302 OG1 THR A 88 -7.083 -19.110 -9.293 1.00 0.00 O ATOM 1303 CG2 THR A 88 -8.639 -18.478 -11.028 1.00 0.00 C ATOM 0 H THR A 88 -7.263 -17.236 -7.481 1.00 0.00 H new ATOM 0 HA THR A 88 -6.852 -16.575 -10.207 1.00 0.00 H new ATOM 0 HB THR A 88 -8.971 -18.346 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.405 -20.032 -9.378 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.983 -19.510 -11.098 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.463 -17.805 -11.262 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.827 -18.317 -11.737 1.00 0.00 H new ATOM 1311 N LYS A 89 -8.880 -15.326 -11.013 1.00 0.00 N ATOM 1312 CA LYS A 89 -9.941 -14.413 -11.422 1.00 0.00 C ATOM 1313 C LYS A 89 -9.977 -14.267 -12.940 1.00 0.00 C ATOM 1314 O LYS A 89 -8.955 -14.403 -13.610 1.00 0.00 O ATOM 1315 CB LYS A 89 -9.742 -13.042 -10.771 1.00 0.00 C ATOM 1316 CG LYS A 89 -11.038 -12.286 -10.535 1.00 0.00 C ATOM 1317 CD LYS A 89 -11.396 -11.408 -11.722 1.00 0.00 C ATOM 1318 CE LYS A 89 -12.476 -10.400 -11.364 1.00 0.00 C ATOM 1319 NZ LYS A 89 -13.211 -9.923 -12.568 1.00 0.00 N ATOM 0 H LYS A 89 -8.215 -15.557 -11.751 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.893 -14.830 -11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.229 -13.173 -9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.090 -12.440 -11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.845 -12.995 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.943 -11.670 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.506 -10.882 -12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.739 -12.032 -12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.179 -10.854 -10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.024 -9.549 -10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.939 -9.237 -12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.545 -9.467 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.664 -10.731 -13.041 1.00 0.00 H new ATOM 1333 N SER A 90 -11.162 -13.986 -13.474 1.00 0.00 N ATOM 1334 CA SER A 90 -11.332 -13.823 -14.913 1.00 0.00 C ATOM 1335 C SER A 90 -10.179 -13.022 -15.509 1.00 0.00 C ATOM 1336 O SER A 90 -9.685 -12.075 -14.898 1.00 0.00 O ATOM 1337 CB SER A 90 -12.661 -13.129 -15.216 1.00 0.00 C ATOM 1338 OG SER A 90 -13.726 -14.062 -15.260 1.00 0.00 O ATOM 0 H SER A 90 -12.018 -13.867 -12.932 1.00 0.00 H new ATOM 0 HA SER A 90 -11.336 -14.814 -15.368 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.864 -12.377 -14.454 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.592 -12.606 -16.170 1.00 0.00 H new ATOM 0 HG SER A 90 -14.564 -13.593 -15.454 1.00 0.00 H new ATOM 1344 N GLY A 91 -9.754 -13.408 -16.709 1.00 0.00 N ATOM 1345 CA GLY A 91 -8.663 -12.716 -17.368 1.00 0.00 C ATOM 1346 C GLY A 91 -8.945 -12.452 -18.833 1.00 0.00 C ATOM 1347 O GLY A 91 -8.528 -13.205 -19.714 1.00 0.00 O ATOM 0 H GLY A 91 -10.147 -14.188 -17.236 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.478 -11.769 -16.860 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.753 -13.309 -17.277 1.00 0.00 H new ATOM 1351 N PRO A 92 -9.673 -11.360 -19.113 1.00 0.00 N ATOM 1352 CA PRO A 92 -10.027 -10.974 -20.481 1.00 0.00 C ATOM 1353 C PRO A 92 -8.820 -10.495 -21.280 1.00 0.00 C ATOM 1354 O PRO A 92 -8.915 -10.257 -22.484 1.00 0.00 O ATOM 1355 CB PRO A 92 -11.024 -9.830 -20.280 1.00 0.00 C ATOM 1356 CG PRO A 92 -10.684 -9.261 -18.945 1.00 0.00 C ATOM 1357 CD PRO A 92 -10.203 -10.418 -18.113 1.00 0.00 C ATOM 0 HA PRO A 92 -10.428 -11.813 -21.050 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.930 -9.080 -21.066 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.052 -10.192 -20.306 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.913 -8.495 -19.032 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.554 -8.787 -18.489 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.435 -10.111 -17.403 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.013 -10.861 -17.534 1.00 0.00 H new ATOM 1365 N SER A 93 -7.686 -10.354 -20.602 1.00 0.00 N ATOM 1366 CA SER A 93 -6.461 -9.899 -21.249 1.00 0.00 C ATOM 1367 C SER A 93 -6.272 -10.584 -22.599 1.00 0.00 C ATOM 1368 O SER A 93 -6.530 -11.779 -22.743 1.00 0.00 O ATOM 1369 CB SER A 93 -5.253 -10.176 -20.351 1.00 0.00 C ATOM 1370 OG SER A 93 -5.062 -9.129 -19.416 1.00 0.00 O ATOM 0 H SER A 93 -7.590 -10.548 -19.605 1.00 0.00 H new ATOM 0 HA SER A 93 -6.544 -8.825 -21.415 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.397 -11.118 -19.822 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.359 -10.288 -20.964 1.00 0.00 H new ATOM 0 HG SER A 93 -4.285 -9.331 -18.853 1.00 0.00 H new ATOM 1376 N SER A 94 -5.821 -9.817 -23.587 1.00 0.00 N ATOM 1377 CA SER A 94 -5.602 -10.347 -24.927 1.00 0.00 C ATOM 1378 C SER A 94 -4.614 -9.479 -25.700 1.00 0.00 C ATOM 1379 O SER A 94 -4.245 -8.393 -25.255 1.00 0.00 O ATOM 1380 CB SER A 94 -6.927 -10.433 -25.688 1.00 0.00 C ATOM 1381 OG SER A 94 -7.718 -9.278 -25.466 1.00 0.00 O ATOM 0 H SER A 94 -5.600 -8.826 -23.484 1.00 0.00 H new ATOM 0 HA SER A 94 -5.181 -11.348 -24.830 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.731 -10.544 -26.754 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.475 -11.320 -25.371 1.00 0.00 H new ATOM 0 HG SER A 94 -8.558 -9.356 -25.964 1.00 0.00 H new ATOM 1387 N GLY A 95 -4.189 -9.967 -26.862 1.00 0.00 N ATOM 1388 CA GLY A 95 -3.248 -9.224 -27.679 1.00 0.00 C ATOM 1389 C GLY A 95 -1.811 -9.632 -27.424 1.00 0.00 C ATOM 1390 O GLY A 95 -0.947 -8.783 -27.205 1.00 0.00 O ATOM 0 H GLY A 95 -4.480 -10.864 -27.252 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.485 -9.378 -28.732 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.361 -8.158 -27.480 1.00 0.00 H new TER 1394 GLY A 95