USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 894 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 73 HIS : no HD1:sc=-0.000722 K(o=-0.00072,f=-0.6) USER MOD Set 1.2: A 81 SER OG : rot -150:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0109 (180deg=-0.394) USER MOD Single : A 7 SER OG : rot 180:sc= -0.146 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.513 USER MOD Single : A 19 ASN : amide:sc= -2.45 K(o=-2.4,f=-3.4!) USER MOD Single : A 21 THR OG1 : rot -101:sc= 1.22 USER MOD Single : A 22 GLN : amide:sc= -1.83 K(o=-1.8,f=-2.8) USER MOD Single : A 23 ASN : amide:sc= -1.13! C(o=-1.1!,f=-8.1!) USER MOD Single : A 24 GLN : amide:sc= -0.962 K(o=-0.96,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 135:sc= -0.161 (180deg=-1.37) USER MOD Single : A 36 SER OG : rot 180:sc= -0.499 USER MOD Single : A 38 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.5!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.276! USER MOD Single : A 43 MET CE :methyl -155:sc= -0.138 (180deg=-1.62) USER MOD Single : A 44 TYR OH : rot 30:sc=-0.000575 USER MOD Single : A 50 SER OG : rot 143:sc= -0.301 USER MOD Single : A 53 ASN : amide:sc= -0.0237 K(o=-0.024,f=-2.7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.0524 (180deg=-0.495) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.6!) USER MOD Single : A 66 MET CE :methyl -168:sc= -0.663 (180deg=-1.27) USER MOD Single : A 68 SER OG : rot 72:sc= 0.577 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 79 GLN : amide:sc= -0.0236 K(o=-0.024,f=-2.7) USER MOD Single : A 82 SER OG : rot -40:sc= 0.26 USER MOD Single : A 84 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-6.2!) 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 94 GLN : amide:sc= -0.0288 K(o=-0.029,f=-2.1!) USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= -0.104 (180deg=-0.715) USER MOD Single : A 102 HIS : no HD1:sc= -3.25 K(o=-3.2,f=-2.7) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 156:sc= -0.0809 (180deg=-0.668) USER MOD Single : A 113 ASN : amide:sc= -0.0841 K(o=-0.084,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.032 5.563 12.396 1.00 0.00 N ATOM 2 CA MET A 1 21.187 6.311 13.371 1.00 0.00 C ATOM 3 C MET A 1 20.421 7.418 12.643 1.00 0.00 C ATOM 4 O MET A 1 19.310 7.757 13.002 1.00 0.00 O ATOM 5 CB MET A 1 22.077 6.931 14.450 1.00 0.00 C ATOM 6 CG MET A 1 22.646 5.827 15.343 1.00 0.00 C ATOM 7 SD MET A 1 23.697 6.566 16.618 1.00 0.00 S ATOM 8 CE MET A 1 24.161 5.029 17.452 1.00 0.00 C ATOM 0 H1 MET A 1 22.335 4.662 12.819 1.00 0.00 H new ATOM 0 H2 MET A 1 21.482 5.373 11.534 1.00 0.00 H new ATOM 0 H3 MET A 1 22.869 6.131 12.155 1.00 0.00 H new ATOM 0 HA MET A 1 20.478 5.625 13.835 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.888 7.493 13.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.501 7.637 15.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.835 5.264 15.806 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.223 5.121 14.745 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.822 5.254 18.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.265 4.531 17.822 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.676 4.375 16.749 1.00 0.00 H new ATOM 20 N GLY A 2 21.006 7.984 11.624 1.00 0.00 N ATOM 21 CA GLY A 2 20.316 9.070 10.871 1.00 0.00 C ATOM 22 C GLY A 2 19.158 8.479 10.052 1.00 0.00 C ATOM 23 O GLY A 2 19.069 7.280 9.880 1.00 0.00 O ATOM 0 H GLY A 2 21.935 7.741 11.279 1.00 0.00 H new ATOM 0 HA2 GLY A 2 19.937 9.822 11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.022 9.572 10.210 1.00 0.00 H new ATOM 27 N PRO A 3 18.274 9.313 9.548 1.00 0.00 N ATOM 28 CA PRO A 3 17.121 8.821 8.740 1.00 0.00 C ATOM 29 C PRO A 3 17.562 7.848 7.633 1.00 0.00 C ATOM 30 O PRO A 3 18.663 7.930 7.124 1.00 0.00 O ATOM 31 CB PRO A 3 16.534 10.126 8.160 1.00 0.00 C ATOM 32 CG PRO A 3 17.278 11.325 8.792 1.00 0.00 C ATOM 33 CD PRO A 3 18.364 10.787 9.743 1.00 0.00 C ATOM 0 HA PRO A 3 16.402 8.247 9.325 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.644 10.141 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.467 10.188 8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.728 11.942 8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.579 11.959 9.337 1.00 0.00 H new ATOM 0 HD2 PRO A 3 19.352 11.169 9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.172 11.070 10.778 1.00 0.00 H new ATOM 41 N VAL A 4 16.713 6.925 7.267 1.00 0.00 N ATOM 42 CA VAL A 4 17.079 5.941 6.209 1.00 0.00 C ATOM 43 C VAL A 4 16.852 6.562 4.811 1.00 0.00 C ATOM 44 O VAL A 4 15.889 7.277 4.614 1.00 0.00 O ATOM 45 CB VAL A 4 16.185 4.710 6.363 1.00 0.00 C ATOM 46 CG1 VAL A 4 16.404 4.092 7.745 1.00 0.00 C ATOM 47 CG2 VAL A 4 14.717 5.124 6.220 1.00 0.00 C ATOM 0 H VAL A 4 15.778 6.810 7.658 1.00 0.00 H new ATOM 0 HA VAL A 4 18.129 5.665 6.309 1.00 0.00 H new ATOM 0 HB VAL A 4 16.435 3.981 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.767 3.214 7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.448 3.798 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.153 4.822 8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.079 4.247 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.468 5.853 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.558 5.567 5.237 1.00 0.00 H new ATOM 57 N PRO A 5 17.706 6.295 3.831 1.00 0.00 N ATOM 58 CA PRO A 5 17.501 6.869 2.466 1.00 0.00 C ATOM 59 C PRO A 5 16.250 6.276 1.774 1.00 0.00 C ATOM 60 O PRO A 5 15.747 5.249 2.183 1.00 0.00 O ATOM 61 CB PRO A 5 18.795 6.464 1.736 1.00 0.00 C ATOM 62 CG PRO A 5 19.486 5.373 2.571 1.00 0.00 C ATOM 63 CD PRO A 5 18.915 5.433 3.998 1.00 0.00 C ATOM 0 HA PRO A 5 17.324 7.945 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.569 6.094 0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.451 7.326 1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.313 4.390 2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.565 5.530 2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.658 4.443 4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.627 5.865 4.701 1.00 0.00 H new ATOM 71 N PRO A 6 15.743 6.921 0.741 1.00 0.00 N ATOM 72 CA PRO A 6 14.526 6.419 0.025 1.00 0.00 C ATOM 73 C PRO A 6 14.743 5.073 -0.690 1.00 0.00 C ATOM 74 O PRO A 6 13.919 4.183 -0.614 1.00 0.00 O ATOM 75 CB PRO A 6 14.260 7.543 -0.995 1.00 0.00 C ATOM 76 CG PRO A 6 15.508 8.439 -1.055 1.00 0.00 C ATOM 77 CD PRO A 6 16.337 8.186 0.214 1.00 0.00 C ATOM 0 HA PRO A 6 13.702 6.218 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.046 7.122 -1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.387 8.126 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.096 8.214 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.221 9.488 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.398 8.074 -0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.247 9.005 0.928 1.00 0.00 H new ATOM 85 N SER A 7 15.823 4.931 -1.401 1.00 0.00 N ATOM 86 CA SER A 7 16.065 3.657 -2.139 1.00 0.00 C ATOM 87 C SER A 7 16.126 2.488 -1.158 1.00 0.00 C ATOM 88 O SER A 7 15.628 1.412 -1.426 1.00 0.00 O ATOM 89 CB SER A 7 17.392 3.744 -2.892 1.00 0.00 C ATOM 90 OG SER A 7 18.464 3.682 -1.960 1.00 0.00 O ATOM 0 H SER A 7 16.550 5.639 -1.505 1.00 0.00 H new ATOM 0 HA SER A 7 15.249 3.498 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.471 2.927 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.441 4.673 -3.460 1.00 0.00 H new ATOM 0 HG SER A 7 19.317 3.736 -2.439 1.00 0.00 H new ATOM 96 N THR A 8 16.742 2.685 -0.030 1.00 0.00 N ATOM 97 CA THR A 8 16.849 1.577 0.964 1.00 0.00 C ATOM 98 C THR A 8 15.481 1.277 1.581 1.00 0.00 C ATOM 99 O THR A 8 15.119 0.135 1.778 1.00 0.00 O ATOM 100 CB THR A 8 17.829 1.983 2.065 1.00 0.00 C ATOM 101 OG1 THR A 8 19.121 2.157 1.501 1.00 0.00 O ATOM 102 CG2 THR A 8 17.875 0.897 3.140 1.00 0.00 C ATOM 0 H THR A 8 17.177 3.564 0.250 1.00 0.00 H new ATOM 0 HA THR A 8 17.208 0.680 0.459 1.00 0.00 H new ATOM 0 HB THR A 8 17.502 2.918 2.519 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.780 2.261 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.574 1.190 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.882 0.768 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.202 -0.043 2.694 1.00 0.00 H new ATOM 110 N ALA A 9 14.721 2.286 1.895 1.00 0.00 N ATOM 111 CA ALA A 9 13.386 2.046 2.507 1.00 0.00 C ATOM 112 C ALA A 9 12.490 1.289 1.522 1.00 0.00 C ATOM 113 O ALA A 9 11.763 0.392 1.901 1.00 0.00 O ATOM 114 CB ALA A 9 12.745 3.387 2.865 1.00 0.00 C ATOM 0 H ALA A 9 14.966 3.266 1.755 1.00 0.00 H new ATOM 0 HA ALA A 9 13.504 1.447 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.767 3.214 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.381 3.917 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.630 3.987 1.963 1.00 0.00 H new ATOM 120 N LEU A 10 12.526 1.639 0.264 1.00 0.00 N ATOM 121 CA LEU A 10 11.662 0.929 -0.724 1.00 0.00 C ATOM 122 C LEU A 10 12.102 -0.534 -0.829 1.00 0.00 C ATOM 123 O LEU A 10 11.287 -1.434 -0.841 1.00 0.00 O ATOM 124 CB LEU A 10 11.783 1.598 -2.097 1.00 0.00 C ATOM 125 CG LEU A 10 10.805 0.940 -3.087 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.349 1.229 -2.678 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.066 1.494 -4.489 1.00 0.00 C ATOM 0 H LEU A 10 13.112 2.380 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 10 10.625 0.976 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.567 2.663 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.804 1.508 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 10 10.959 -0.139 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.671 0.757 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.165 0.830 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.179 2.306 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.377 1.033 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.916 2.574 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.092 1.271 -4.783 1.00 0.00 H new ATOM 139 N ARG A 11 13.383 -0.782 -0.905 1.00 0.00 N ATOM 140 CA ARG A 11 13.853 -2.193 -1.011 1.00 0.00 C ATOM 141 C ARG A 11 13.381 -2.950 0.228 1.00 0.00 C ATOM 142 O ARG A 11 12.898 -4.062 0.149 1.00 0.00 O ATOM 143 CB ARG A 11 15.388 -2.222 -1.071 1.00 0.00 C ATOM 144 CG ARG A 11 15.888 -1.658 -2.412 1.00 0.00 C ATOM 145 CD ARG A 11 15.820 -2.731 -3.508 1.00 0.00 C ATOM 146 NE ARG A 11 16.593 -3.932 -3.083 1.00 0.00 N ATOM 147 CZ ARG A 11 16.421 -5.071 -3.698 1.00 0.00 C ATOM 148 NH1 ARG A 11 15.554 -5.165 -4.669 1.00 0.00 N ATOM 149 NH2 ARG A 11 17.112 -6.118 -3.337 1.00 0.00 N ATOM 0 H ARG A 11 14.118 -0.075 -0.898 1.00 0.00 H new ATOM 0 HA ARG A 11 13.452 -2.655 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.801 -1.638 -0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.743 -3.245 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.283 -0.798 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.914 -1.305 -2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.782 -3.004 -3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.224 -2.338 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 11 17.257 -3.864 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.010 -4.348 -4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.420 -6.055 -5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.786 -6.046 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.978 -7.008 -3.817 1.00 0.00 H new ATOM 163 N GLU A 12 13.500 -2.339 1.371 1.00 0.00 N ATOM 164 CA GLU A 12 13.044 -2.991 2.626 1.00 0.00 C ATOM 165 C GLU A 12 11.532 -3.209 2.565 1.00 0.00 C ATOM 166 O GLU A 12 11.019 -4.221 3.002 1.00 0.00 O ATOM 167 CB GLU A 12 13.398 -2.095 3.817 1.00 0.00 C ATOM 168 CG GLU A 12 14.915 -2.101 4.022 1.00 0.00 C ATOM 169 CD GLU A 12 15.293 -1.105 5.120 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.392 -0.511 5.690 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.477 -0.949 5.369 1.00 0.00 O ATOM 0 H GLU A 12 13.897 -1.407 1.490 1.00 0.00 H new ATOM 0 HA GLU A 12 13.538 -3.956 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.048 -1.078 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.897 -2.452 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.250 -3.102 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.418 -1.839 3.091 1.00 0.00 H new ATOM 178 N LEU A 13 10.814 -2.258 2.036 1.00 0.00 N ATOM 179 CA LEU A 13 9.332 -2.392 1.956 1.00 0.00 C ATOM 180 C LEU A 13 8.951 -3.477 0.941 1.00 0.00 C ATOM 181 O LEU A 13 8.086 -4.291 1.192 1.00 0.00 O ATOM 182 CB LEU A 13 8.749 -1.040 1.521 1.00 0.00 C ATOM 183 CG LEU A 13 7.221 -1.119 1.400 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.606 -1.532 2.745 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.690 0.263 0.999 1.00 0.00 C ATOM 0 H LEU A 13 11.191 -1.390 1.654 1.00 0.00 H new ATOM 0 HA LEU A 13 8.932 -2.679 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.022 -0.272 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.179 -0.744 0.564 1.00 0.00 H new ATOM 0 HG LEU A 13 6.951 -1.860 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.522 -1.585 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.992 -2.508 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.867 -0.796 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.604 0.224 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.965 0.993 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.123 0.556 0.043 1.00 0.00 H new ATOM 197 N ILE A 14 9.587 -3.500 -0.198 1.00 0.00 N ATOM 198 CA ILE A 14 9.251 -4.539 -1.216 1.00 0.00 C ATOM 199 C ILE A 14 9.536 -5.939 -0.656 1.00 0.00 C ATOM 200 O ILE A 14 8.749 -6.852 -0.814 1.00 0.00 O ATOM 201 CB ILE A 14 10.091 -4.304 -2.477 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.621 -3.013 -3.156 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.926 -5.486 -3.447 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.619 -2.612 -4.244 1.00 0.00 C ATOM 0 H ILE A 14 10.323 -2.847 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 14 8.192 -4.469 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 14 11.142 -4.217 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.632 -3.158 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.531 -2.215 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.526 -5.310 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.257 -6.404 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.877 -5.582 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.283 -1.694 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.599 -2.449 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.687 -3.407 -4.986 1.00 0.00 H new ATOM 216 N GLU A 15 10.660 -6.118 -0.019 1.00 0.00 N ATOM 217 CA GLU A 15 11.005 -7.462 0.530 1.00 0.00 C ATOM 218 C GLU A 15 9.950 -7.907 1.550 1.00 0.00 C ATOM 219 O GLU A 15 9.577 -9.062 1.600 1.00 0.00 O ATOM 220 CB GLU A 15 12.369 -7.386 1.223 1.00 0.00 C ATOM 221 CG GLU A 15 13.473 -7.204 0.177 1.00 0.00 C ATOM 222 CD GLU A 15 13.641 -8.493 -0.629 1.00 0.00 C ATOM 223 OE1 GLU A 15 13.219 -9.531 -0.146 1.00 0.00 O ATOM 224 OE2 GLU A 15 14.191 -8.421 -1.715 1.00 0.00 O ATOM 0 H GLU A 15 11.356 -5.391 0.146 1.00 0.00 H new ATOM 0 HA GLU A 15 11.036 -8.182 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.383 -6.555 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.546 -8.295 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.223 -6.378 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.412 -6.946 0.667 1.00 0.00 H new ATOM 231 N GLU A 16 9.475 -7.010 2.373 1.00 0.00 N ATOM 232 CA GLU A 16 8.457 -7.405 3.393 1.00 0.00 C ATOM 233 C GLU A 16 7.118 -7.722 2.713 1.00 0.00 C ATOM 234 O GLU A 16 6.475 -8.702 3.031 1.00 0.00 O ATOM 235 CB GLU A 16 8.263 -6.255 4.387 1.00 0.00 C ATOM 236 CG GLU A 16 7.341 -6.697 5.532 1.00 0.00 C ATOM 237 CD GLU A 16 8.034 -7.779 6.364 1.00 0.00 C ATOM 238 OE1 GLU A 16 9.249 -7.860 6.299 1.00 0.00 O ATOM 239 OE2 GLU A 16 7.337 -8.509 7.047 1.00 0.00 O ATOM 0 H GLU A 16 9.745 -6.026 2.384 1.00 0.00 H new ATOM 0 HA GLU A 16 8.806 -8.294 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.228 -5.943 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.835 -5.392 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.093 -5.843 6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.403 -7.079 5.130 1.00 0.00 H new ATOM 246 N LEU A 17 6.688 -6.904 1.790 1.00 0.00 N ATOM 247 CA LEU A 17 5.385 -7.172 1.109 1.00 0.00 C ATOM 248 C LEU A 17 5.443 -8.523 0.399 1.00 0.00 C ATOM 249 O LEU A 17 4.554 -9.343 0.521 1.00 0.00 O ATOM 250 CB LEU A 17 5.110 -6.079 0.073 1.00 0.00 C ATOM 251 CG LEU A 17 4.817 -4.744 0.771 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.748 -3.640 -0.288 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.481 -4.815 1.540 1.00 0.00 C ATOM 0 H LEU A 17 7.178 -6.066 1.478 1.00 0.00 H new ATOM 0 HA LEU A 17 4.591 -7.182 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.970 -5.970 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.263 -6.365 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 17 5.611 -4.529 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.540 -2.685 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.701 -3.581 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.954 -3.867 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.291 -3.859 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.672 -5.034 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.536 -5.602 2.292 1.00 0.00 H new ATOM 265 N VAL A 18 6.480 -8.753 -0.353 1.00 0.00 N ATOM 266 CA VAL A 18 6.606 -10.039 -1.089 1.00 0.00 C ATOM 267 C VAL A 18 6.665 -11.196 -0.090 1.00 0.00 C ATOM 268 O VAL A 18 6.059 -12.232 -0.282 1.00 0.00 O ATOM 269 CB VAL A 18 7.898 -10.006 -1.912 1.00 0.00 C ATOM 270 CG1 VAL A 18 8.158 -11.376 -2.541 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.770 -8.954 -3.016 1.00 0.00 C ATOM 0 H VAL A 18 7.252 -8.100 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 18 5.748 -10.179 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 18 8.731 -9.753 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.079 -11.340 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.255 -12.125 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.326 -11.641 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.688 -8.929 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.932 -9.208 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.599 -7.975 -2.568 1.00 0.00 H new ATOM 281 N ASN A 19 7.404 -11.030 0.969 1.00 0.00 N ATOM 282 CA ASN A 19 7.528 -12.116 1.981 1.00 0.00 C ATOM 283 C ASN A 19 6.163 -12.480 2.582 1.00 0.00 C ATOM 284 O ASN A 19 5.833 -13.639 2.730 1.00 0.00 O ATOM 285 CB ASN A 19 8.459 -11.640 3.100 1.00 0.00 C ATOM 286 CG ASN A 19 9.896 -11.580 2.580 1.00 0.00 C ATOM 287 OD1 ASN A 19 10.252 -12.292 1.660 1.00 0.00 O ATOM 288 ND2 ASN A 19 10.744 -10.758 3.133 1.00 0.00 N ATOM 0 H ASN A 19 7.932 -10.183 1.179 1.00 0.00 H new ATOM 0 HA ASN A 19 7.931 -13.003 1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.148 -10.657 3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.397 -12.318 3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.705 -10.712 2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.446 -10.161 3.904 1.00 0.00 H new ATOM 295 N ILE A 20 5.382 -11.506 2.962 1.00 0.00 N ATOM 296 CA ILE A 20 4.059 -11.807 3.589 1.00 0.00 C ATOM 297 C ILE A 20 2.992 -12.156 2.541 1.00 0.00 C ATOM 298 O ILE A 20 1.954 -12.691 2.880 1.00 0.00 O ATOM 299 CB ILE A 20 3.602 -10.601 4.414 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.347 -9.410 3.484 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.690 -10.242 5.428 1.00 0.00 C ATOM 302 CD1 ILE A 20 3.100 -8.142 4.310 1.00 0.00 C ATOM 0 H ILE A 20 5.601 -10.514 2.866 1.00 0.00 H new ATOM 0 HA ILE A 20 4.183 -12.678 4.233 1.00 0.00 H new ATOM 0 HB ILE A 20 2.680 -10.846 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.203 -9.263 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.485 -9.613 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.369 -9.383 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.866 -11.091 6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.612 -9.996 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.920 -7.301 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.230 -8.289 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.974 -7.934 4.927 1.00 0.00 H new ATOM 314 N THR A 21 3.209 -11.850 1.280 1.00 0.00 N ATOM 315 CA THR A 21 2.160 -12.165 0.246 1.00 0.00 C ATOM 316 C THR A 21 2.499 -13.458 -0.510 1.00 0.00 C ATOM 317 O THR A 21 1.636 -14.071 -1.105 1.00 0.00 O ATOM 318 CB THR A 21 2.051 -11.005 -0.754 1.00 0.00 C ATOM 319 OG1 THR A 21 3.340 -10.690 -1.259 1.00 0.00 O ATOM 320 CG2 THR A 21 1.455 -9.777 -0.065 1.00 0.00 C ATOM 0 H THR A 21 4.053 -11.402 0.924 1.00 0.00 H new ATOM 0 HA THR A 21 1.209 -12.303 0.760 1.00 0.00 H new ATOM 0 HB THR A 21 1.401 -11.302 -1.577 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.688 -9.899 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.381 -8.958 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.462 -10.019 0.314 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.097 -9.477 0.764 1.00 0.00 H new ATOM 328 N GLN A 22 3.729 -13.894 -0.494 1.00 0.00 N ATOM 329 CA GLN A 22 4.066 -15.161 -1.213 1.00 0.00 C ATOM 330 C GLN A 22 3.634 -16.366 -0.370 1.00 0.00 C ATOM 331 O GLN A 22 3.331 -17.423 -0.889 1.00 0.00 O ATOM 332 CB GLN A 22 5.574 -15.240 -1.469 1.00 0.00 C ATOM 333 CG GLN A 22 5.956 -14.295 -2.610 1.00 0.00 C ATOM 334 CD GLN A 22 7.466 -14.372 -2.844 1.00 0.00 C ATOM 335 OE1 GLN A 22 8.213 -14.724 -1.952 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.951 -14.061 -4.014 1.00 0.00 N ATOM 0 H GLN A 22 4.508 -13.436 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 22 3.539 -15.172 -2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.120 -14.972 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.856 -16.262 -1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.421 -14.569 -3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.666 -13.273 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.325 -13.766 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.956 -14.113 -4.180 1.00 0.00 H new ATOM 345 N ASN A 23 3.624 -16.219 0.930 1.00 0.00 N ATOM 346 CA ASN A 23 3.236 -17.356 1.823 1.00 0.00 C ATOM 347 C ASN A 23 1.777 -17.215 2.272 1.00 0.00 C ATOM 348 O ASN A 23 1.321 -17.930 3.142 1.00 0.00 O ATOM 349 CB ASN A 23 4.143 -17.343 3.055 1.00 0.00 C ATOM 350 CG ASN A 23 3.943 -16.031 3.818 1.00 0.00 C ATOM 351 OD1 ASN A 23 3.105 -15.227 3.456 1.00 0.00 O ATOM 352 ND2 ASN A 23 4.683 -15.776 4.862 1.00 0.00 N ATOM 0 H ASN A 23 3.869 -15.356 1.415 1.00 0.00 H new ATOM 0 HA ASN A 23 3.345 -18.293 1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.912 -18.191 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.186 -17.447 2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.559 -14.903 5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.386 -16.450 5.166 1.00 0.00 H new ATOM 359 N GLN A 24 1.040 -16.298 1.703 1.00 0.00 N ATOM 360 CA GLN A 24 -0.385 -16.125 2.123 1.00 0.00 C ATOM 361 C GLN A 24 -1.286 -17.086 1.336 1.00 0.00 C ATOM 362 O GLN A 24 -1.261 -17.120 0.121 1.00 0.00 O ATOM 363 CB GLN A 24 -0.816 -14.670 1.871 1.00 0.00 C ATOM 364 CG GLN A 24 -1.128 -14.449 0.385 1.00 0.00 C ATOM 365 CD GLN A 24 -1.197 -12.950 0.094 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.361 -12.151 0.995 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.070 -12.529 -1.136 1.00 0.00 N ATOM 0 H GLN A 24 1.359 -15.664 0.970 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.480 -16.351 3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.695 -14.436 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.024 -13.991 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.359 -14.915 -0.232 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.075 -14.924 0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.932 -13.199 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.108 -11.530 -1.340 1.00 0.00 H new ATOM 376 N LYS A 25 -2.093 -17.854 2.018 1.00 0.00 N ATOM 377 CA LYS A 25 -3.007 -18.797 1.308 1.00 0.00 C ATOM 378 C LYS A 25 -4.306 -18.054 0.980 1.00 0.00 C ATOM 379 O LYS A 25 -4.498 -17.572 -0.119 1.00 0.00 O ATOM 380 CB LYS A 25 -3.311 -19.980 2.232 1.00 0.00 C ATOM 381 CG LYS A 25 -4.240 -20.970 1.527 1.00 0.00 C ATOM 382 CD LYS A 25 -4.501 -22.168 2.448 1.00 0.00 C ATOM 383 CE LYS A 25 -5.231 -21.708 3.721 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.032 -22.838 4.269 1.00 0.00 N ATOM 0 H LYS A 25 -2.159 -17.870 3.036 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.546 -19.162 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.384 -20.478 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.776 -19.624 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.181 -20.483 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.790 -21.306 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.100 -22.914 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.557 -22.645 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.510 -21.366 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.881 -20.863 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.526 -22.528 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.729 -23.145 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.401 -23.632 4.499 1.00 0.00 H new ATOM 398 N ALA A 26 -5.184 -17.932 1.939 1.00 0.00 N ATOM 399 CA ALA A 26 -6.457 -17.191 1.709 1.00 0.00 C ATOM 400 C ALA A 26 -6.169 -15.693 1.907 1.00 0.00 C ATOM 401 O ALA A 26 -5.154 -15.331 2.469 1.00 0.00 O ATOM 402 CB ALA A 26 -7.519 -17.686 2.719 1.00 0.00 C ATOM 0 H ALA A 26 -5.073 -18.316 2.877 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.839 -17.360 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.453 -17.149 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.685 -18.754 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.167 -17.505 3.735 1.00 0.00 H new ATOM 408 N PRO A 27 -7.043 -14.825 1.463 1.00 0.00 N ATOM 409 CA PRO A 27 -6.815 -13.367 1.637 1.00 0.00 C ATOM 410 C PRO A 27 -6.324 -13.039 3.053 1.00 0.00 C ATOM 411 O PRO A 27 -6.739 -13.648 4.019 1.00 0.00 O ATOM 412 CB PRO A 27 -8.214 -12.787 1.363 1.00 0.00 C ATOM 413 CG PRO A 27 -9.060 -13.879 0.672 1.00 0.00 C ATOM 414 CD PRO A 27 -8.301 -15.219 0.771 1.00 0.00 C ATOM 0 HA PRO A 27 -6.043 -12.961 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.685 -12.473 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.142 -11.903 0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.037 -13.960 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.236 -13.619 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.861 -15.962 1.339 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.106 -15.649 -0.212 1.00 0.00 H new ATOM 422 N LEU A 28 -5.442 -12.089 3.184 1.00 0.00 N ATOM 423 CA LEU A 28 -4.931 -11.736 4.537 1.00 0.00 C ATOM 424 C LEU A 28 -6.096 -11.285 5.420 1.00 0.00 C ATOM 425 O LEU A 28 -6.230 -11.706 6.551 1.00 0.00 O ATOM 426 CB LEU A 28 -3.913 -10.600 4.412 1.00 0.00 C ATOM 427 CG LEU A 28 -2.630 -11.112 3.738 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.732 -9.919 3.394 1.00 0.00 C ATOM 429 CD2 LEU A 28 -1.872 -12.077 4.679 1.00 0.00 C ATOM 0 H LEU A 28 -5.054 -11.543 2.415 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.453 -12.606 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.338 -9.783 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.680 -10.200 5.399 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.897 -11.651 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.820 -10.276 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.260 -9.250 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.476 -9.381 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.966 -12.430 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.605 -11.554 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.510 -12.928 4.918 1.00 0.00 H new ATOM 441 N CYS A 29 -6.943 -10.437 4.908 1.00 0.00 N ATOM 442 CA CYS A 29 -8.107 -9.962 5.711 1.00 0.00 C ATOM 443 C CYS A 29 -9.250 -10.973 5.602 1.00 0.00 C ATOM 444 O CYS A 29 -9.224 -11.870 4.782 1.00 0.00 O ATOM 445 CB CYS A 29 -8.572 -8.605 5.180 1.00 0.00 C ATOM 446 SG CYS A 29 -7.332 -7.349 5.580 1.00 0.00 S ATOM 0 H CYS A 29 -6.880 -10.051 3.966 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.811 -9.861 6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.721 -8.655 4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.532 -8.338 5.622 1.00 0.00 H new ATOM 451 N ASN A 30 -10.259 -10.832 6.417 1.00 0.00 N ATOM 452 CA ASN A 30 -11.410 -11.778 6.355 1.00 0.00 C ATOM 453 C ASN A 30 -12.161 -11.593 5.033 1.00 0.00 C ATOM 454 O ASN A 30 -13.375 -11.619 4.993 1.00 0.00 O ATOM 455 CB ASN A 30 -12.358 -11.506 7.526 1.00 0.00 C ATOM 456 CG ASN A 30 -11.692 -11.944 8.833 1.00 0.00 C ATOM 457 OD1 ASN A 30 -10.810 -12.780 8.827 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.079 -11.412 9.959 1.00 0.00 N ATOM 0 H ASN A 30 -10.337 -10.101 7.125 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.040 -12.801 6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.605 -10.445 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.294 -12.046 7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.641 -11.698 10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.819 -10.710 9.964 1.00 0.00 H new ATOM 465 N GLY A 31 -11.452 -11.407 3.951 1.00 0.00 N ATOM 466 CA GLY A 31 -12.130 -11.219 2.635 1.00 0.00 C ATOM 467 C GLY A 31 -12.527 -9.751 2.468 1.00 0.00 C ATOM 468 O GLY A 31 -13.406 -9.418 1.698 1.00 0.00 O ATOM 0 H GLY A 31 -10.433 -11.377 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.465 -11.521 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.014 -11.854 2.576 1.00 0.00 H new ATOM 472 N SER A 32 -11.887 -8.869 3.187 1.00 0.00 N ATOM 473 CA SER A 32 -12.227 -7.424 3.075 1.00 0.00 C ATOM 474 C SER A 32 -11.872 -6.909 1.676 1.00 0.00 C ATOM 475 O SER A 32 -10.991 -7.427 1.012 1.00 0.00 O ATOM 476 CB SER A 32 -11.444 -6.630 4.120 1.00 0.00 C ATOM 477 OG SER A 32 -11.784 -7.097 5.419 1.00 0.00 O ATOM 0 H SER A 32 -11.142 -9.089 3.848 1.00 0.00 H new ATOM 0 HA SER A 32 -13.296 -7.297 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.373 -6.741 3.950 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.672 -5.568 4.032 1.00 0.00 H new ATOM 0 HG SER A 32 -11.282 -6.590 6.091 1.00 0.00 H new ATOM 483 N MET A 33 -12.559 -5.885 1.230 1.00 0.00 N ATOM 484 CA MET A 33 -12.290 -5.299 -0.120 1.00 0.00 C ATOM 485 C MET A 33 -11.835 -3.847 0.052 1.00 0.00 C ATOM 486 O MET A 33 -12.097 -3.226 1.062 1.00 0.00 O ATOM 487 CB MET A 33 -13.571 -5.336 -0.951 1.00 0.00 C ATOM 488 CG MET A 33 -14.017 -6.788 -1.133 1.00 0.00 C ATOM 489 SD MET A 33 -15.535 -6.837 -2.119 1.00 0.00 S ATOM 490 CE MET A 33 -14.824 -6.280 -3.689 1.00 0.00 C ATOM 0 H MET A 33 -13.305 -5.425 1.752 1.00 0.00 H new ATOM 0 HA MET A 33 -11.513 -5.872 -0.627 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.355 -4.762 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.401 -4.872 -1.922 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.232 -7.361 -1.626 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.187 -7.251 -0.161 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.195 -6.908 -4.499 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.111 -5.245 -3.872 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.737 -6.352 -3.642 1.00 0.00 H new ATOM 500 N VAL A 34 -11.147 -3.305 -0.925 1.00 0.00 N ATOM 501 CA VAL A 34 -10.661 -1.888 -0.825 1.00 0.00 C ATOM 502 C VAL A 34 -10.991 -1.129 -2.112 1.00 0.00 C ATOM 503 O VAL A 34 -11.234 -1.713 -3.149 1.00 0.00 O ATOM 504 CB VAL A 34 -9.147 -1.879 -0.599 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.843 -2.313 0.834 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.470 -2.846 -1.571 1.00 0.00 C ATOM 0 H VAL A 34 -10.899 -3.783 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.157 -1.400 0.014 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.768 -0.871 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.765 -2.307 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.318 -1.623 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.229 -3.319 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.393 -2.834 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.852 -3.854 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.682 -2.540 -2.595 1.00 0.00 H new ATOM 516 N TRP A 35 -11.007 0.177 -2.045 1.00 0.00 N ATOM 517 CA TRP A 35 -11.326 0.990 -3.253 1.00 0.00 C ATOM 518 C TRP A 35 -10.149 0.952 -4.227 1.00 0.00 C ATOM 519 O TRP A 35 -9.013 1.147 -3.846 1.00 0.00 O ATOM 520 CB TRP A 35 -11.556 2.447 -2.847 1.00 0.00 C ATOM 521 CG TRP A 35 -12.809 2.577 -2.044 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.871 2.523 -0.695 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.172 2.799 -2.509 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.183 2.704 -0.299 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.025 2.875 -1.382 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.745 2.940 -3.785 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.398 3.085 -1.518 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.127 3.150 -3.924 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.951 3.222 -2.794 1.00 0.00 C ATOM 0 H TRP A 35 -10.812 0.716 -1.201 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.220 0.580 -3.723 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.707 2.807 -2.267 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.622 3.072 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.032 2.364 -0.034 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.492 2.711 0.673 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.119 2.887 -4.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.029 3.141 -0.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.557 3.257 -4.909 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.013 3.383 -2.909 1.00 0.00 H new ATOM 540 N SER A 36 -10.410 0.730 -5.486 1.00 0.00 N ATOM 541 CA SER A 36 -9.299 0.718 -6.473 1.00 0.00 C ATOM 542 C SER A 36 -8.787 2.152 -6.630 1.00 0.00 C ATOM 543 O SER A 36 -9.523 3.098 -6.439 1.00 0.00 O ATOM 544 CB SER A 36 -9.805 0.192 -7.817 1.00 0.00 C ATOM 545 OG SER A 36 -10.706 1.133 -8.383 1.00 0.00 O ATOM 0 H SER A 36 -11.339 0.558 -5.870 1.00 0.00 H new ATOM 0 HA SER A 36 -8.494 0.068 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.967 0.023 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.303 -0.768 -7.680 1.00 0.00 H new ATOM 0 HG SER A 36 -11.030 0.798 -9.245 1.00 0.00 H new ATOM 551 N ILE A 37 -7.532 2.326 -6.962 1.00 0.00 N ATOM 552 CA ILE A 37 -6.971 3.709 -7.116 1.00 0.00 C ATOM 553 C ILE A 37 -6.138 3.808 -8.392 1.00 0.00 C ATOM 554 O ILE A 37 -5.746 2.816 -8.974 1.00 0.00 O ATOM 555 CB ILE A 37 -6.078 4.030 -5.913 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.015 2.936 -5.750 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.932 4.102 -4.646 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.953 3.396 -4.751 1.00 0.00 C ATOM 0 H ILE A 37 -6.869 1.570 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.797 4.418 -7.173 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.587 4.989 -6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.479 2.013 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.553 2.718 -6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.296 4.330 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.684 4.883 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.426 3.144 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.199 2.617 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.480 4.308 -5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.421 3.592 -3.786 1.00 0.00 H new ATOM 570 N ASN A 38 -5.841 5.007 -8.813 1.00 0.00 N ATOM 571 CA ASN A 38 -5.004 5.194 -10.030 1.00 0.00 C ATOM 572 C ASN A 38 -3.542 5.217 -9.590 1.00 0.00 C ATOM 573 O ASN A 38 -3.134 6.056 -8.813 1.00 0.00 O ATOM 574 CB ASN A 38 -5.357 6.524 -10.700 1.00 0.00 C ATOM 575 CG ASN A 38 -4.638 6.623 -12.047 1.00 0.00 C ATOM 576 OD1 ASN A 38 -4.472 5.636 -12.735 1.00 0.00 O ATOM 577 ND2 ASN A 38 -4.199 7.782 -12.455 1.00 0.00 N ATOM 0 H ASN A 38 -6.145 5.870 -8.362 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.179 4.387 -10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.435 6.596 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.066 7.355 -10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.717 7.858 -13.351 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.338 8.612 -11.878 1.00 0.00 H new ATOM 584 N LEU A 39 -2.751 4.294 -10.057 1.00 0.00 N ATOM 585 CA LEU A 39 -1.325 4.265 -9.634 1.00 0.00 C ATOM 586 C LEU A 39 -0.541 5.309 -10.434 1.00 0.00 C ATOM 587 O LEU A 39 -0.403 5.211 -11.637 1.00 0.00 O ATOM 588 CB LEU A 39 -0.735 2.870 -9.891 1.00 0.00 C ATOM 589 CG LEU A 39 -1.392 1.809 -8.980 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.145 2.133 -7.497 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.903 1.732 -9.250 1.00 0.00 C ATOM 0 H LEU A 39 -3.028 3.561 -10.710 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.257 4.491 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.882 2.597 -10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.340 2.889 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.939 0.844 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.617 1.372 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.073 2.148 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.570 3.109 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.351 0.980 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.358 2.702 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.073 1.459 -10.292 1.00 0.00 H new ATOM 603 N THR A 40 -0.026 6.315 -9.770 1.00 0.00 N ATOM 604 CA THR A 40 0.750 7.379 -10.480 1.00 0.00 C ATOM 605 C THR A 40 1.906 7.850 -9.591 1.00 0.00 C ATOM 606 O THR A 40 2.945 7.222 -9.527 1.00 0.00 O ATOM 607 CB THR A 40 -0.169 8.565 -10.785 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.596 9.155 -9.564 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.389 8.087 -11.575 1.00 0.00 C ATOM 0 H THR A 40 -0.110 6.445 -8.762 1.00 0.00 H new ATOM 0 HA THR A 40 1.147 6.975 -11.411 1.00 0.00 H new ATOM 0 HB THR A 40 0.375 9.300 -11.378 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.183 9.916 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.039 8.935 -11.789 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.062 7.635 -12.511 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.936 7.349 -10.988 1.00 0.00 H new ATOM 617 N ALA A 41 1.734 8.962 -8.913 1.00 0.00 N ATOM 618 CA ALA A 41 2.820 9.500 -8.027 1.00 0.00 C ATOM 619 C ALA A 41 2.414 9.360 -6.557 1.00 0.00 C ATOM 620 O ALA A 41 2.988 8.587 -5.816 1.00 0.00 O ATOM 621 CB ALA A 41 3.036 10.981 -8.342 1.00 0.00 C ATOM 0 H ALA A 41 0.883 9.524 -8.935 1.00 0.00 H new ATOM 0 HA ALA A 41 3.737 8.939 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.824 11.378 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.327 11.092 -9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.111 11.530 -8.162 1.00 0.00 H new ATOM 627 N GLY A 42 1.434 10.111 -6.128 1.00 0.00 N ATOM 628 CA GLY A 42 0.992 10.034 -4.704 1.00 0.00 C ATOM 629 C GLY A 42 0.373 8.664 -4.424 1.00 0.00 C ATOM 630 O GLY A 42 -0.630 8.555 -3.747 1.00 0.00 O ATOM 0 H GLY A 42 0.919 10.777 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.841 10.201 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.266 10.820 -4.497 1.00 0.00 H new ATOM 634 N MET A 43 0.957 7.618 -4.940 1.00 0.00 N ATOM 635 CA MET A 43 0.394 6.261 -4.702 1.00 0.00 C ATOM 636 C MET A 43 0.385 5.970 -3.202 1.00 0.00 C ATOM 637 O MET A 43 -0.550 5.403 -2.678 1.00 0.00 O ATOM 638 CB MET A 43 1.263 5.219 -5.407 1.00 0.00 C ATOM 639 CG MET A 43 1.260 5.488 -6.910 1.00 0.00 C ATOM 640 SD MET A 43 1.996 4.083 -7.784 1.00 0.00 S ATOM 641 CE MET A 43 3.619 4.132 -6.988 1.00 0.00 C ATOM 0 H MET A 43 1.799 7.645 -5.515 1.00 0.00 H new ATOM 0 HA MET A 43 -0.623 6.218 -5.092 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.282 5.258 -5.022 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.884 4.217 -5.205 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.240 5.651 -7.258 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.820 6.398 -7.127 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.360 3.678 -7.645 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.896 5.167 -6.789 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.580 3.580 -6.049 1.00 0.00 H new ATOM 651 N TYR A 44 1.422 6.356 -2.510 1.00 0.00 N ATOM 652 CA TYR A 44 1.478 6.101 -1.043 1.00 0.00 C ATOM 653 C TYR A 44 0.300 6.799 -0.362 1.00 0.00 C ATOM 654 O TYR A 44 -0.389 6.229 0.462 1.00 0.00 O ATOM 655 CB TYR A 44 2.788 6.660 -0.486 1.00 0.00 C ATOM 656 CG TYR A 44 3.955 5.927 -1.105 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.522 6.395 -2.296 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.463 4.777 -0.493 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.600 5.713 -2.874 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.540 4.094 -1.071 1.00 0.00 C ATOM 661 CZ TYR A 44 6.109 4.562 -2.260 1.00 0.00 C ATOM 662 OH TYR A 44 7.171 3.888 -2.828 1.00 0.00 O ATOM 0 H TYR A 44 2.233 6.837 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 44 1.425 5.029 -0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.860 7.726 -0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.810 6.550 0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.128 7.282 -2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.025 4.416 0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.038 6.074 -3.792 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.932 3.205 -0.599 1.00 0.00 H new ATOM 0 HH TYR A 44 7.737 4.522 -3.316 1.00 0.00 H new ATOM 672 N CYS A 45 0.070 8.035 -0.705 1.00 0.00 N ATOM 673 CA CYS A 45 -1.054 8.797 -0.091 1.00 0.00 C ATOM 674 C CYS A 45 -2.392 8.161 -0.483 1.00 0.00 C ATOM 675 O CYS A 45 -3.213 7.852 0.357 1.00 0.00 O ATOM 676 CB CYS A 45 -1.001 10.237 -0.601 1.00 0.00 C ATOM 677 SG CYS A 45 0.691 10.857 -0.432 1.00 0.00 S ATOM 0 H CYS A 45 0.617 8.555 -1.391 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.963 8.780 0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.316 10.279 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.690 10.863 -0.034 1.00 0.00 H new ATOM 682 N ALA A 46 -2.618 7.973 -1.753 1.00 0.00 N ATOM 683 CA ALA A 46 -3.903 7.366 -2.208 1.00 0.00 C ATOM 684 C ALA A 46 -4.066 5.962 -1.612 1.00 0.00 C ATOM 685 O ALA A 46 -5.106 5.613 -1.088 1.00 0.00 O ATOM 686 CB ALA A 46 -3.897 7.272 -3.735 1.00 0.00 C ATOM 0 H ALA A 46 -1.966 8.214 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.733 7.989 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.833 6.829 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.791 8.270 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.062 6.650 -4.058 1.00 0.00 H new ATOM 692 N ALA A 47 -3.053 5.150 -1.698 1.00 0.00 N ATOM 693 CA ALA A 47 -3.156 3.769 -1.144 1.00 0.00 C ATOM 694 C ALA A 47 -3.389 3.828 0.368 1.00 0.00 C ATOM 695 O ALA A 47 -4.119 3.033 0.924 1.00 0.00 O ATOM 696 CB ALA A 47 -1.862 3.003 -1.432 1.00 0.00 C ATOM 0 H ALA A 47 -2.157 5.380 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.995 3.258 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.939 1.994 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.702 2.950 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.022 3.519 -0.966 1.00 0.00 H new ATOM 702 N LEU A 48 -2.755 4.749 1.041 1.00 0.00 N ATOM 703 CA LEU A 48 -2.922 4.833 2.519 1.00 0.00 C ATOM 704 C LEU A 48 -4.391 5.079 2.887 1.00 0.00 C ATOM 705 O LEU A 48 -4.940 4.387 3.717 1.00 0.00 O ATOM 706 CB LEU A 48 -2.043 5.970 3.061 1.00 0.00 C ATOM 707 CG LEU A 48 -2.193 6.091 4.586 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.776 4.777 5.270 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.295 7.231 5.080 1.00 0.00 C ATOM 0 H LEU A 48 -2.131 5.445 0.633 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.616 3.887 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.000 5.783 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.323 6.911 2.587 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.235 6.297 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.887 4.878 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.409 3.965 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.735 4.557 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.392 7.328 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.258 7.013 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.596 8.164 4.604 1.00 0.00 H new ATOM 721 N GLU A 49 -5.041 6.044 2.292 1.00 0.00 N ATOM 722 CA GLU A 49 -6.469 6.288 2.657 1.00 0.00 C ATOM 723 C GLU A 49 -7.297 5.036 2.374 1.00 0.00 C ATOM 724 O GLU A 49 -8.197 4.700 3.118 1.00 0.00 O ATOM 725 CB GLU A 49 -7.036 7.478 1.871 1.00 0.00 C ATOM 726 CG GLU A 49 -6.673 7.360 0.395 1.00 0.00 C ATOM 727 CD GLU A 49 -7.321 8.511 -0.376 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.535 8.504 -0.503 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.594 9.383 -0.820 1.00 0.00 O ATOM 0 H GLU A 49 -4.654 6.665 1.581 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.519 6.522 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.120 7.514 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.642 8.410 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.590 7.388 0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.015 6.404 -0.001 1.00 0.00 H new ATOM 736 N SER A 50 -7.009 4.336 1.313 1.00 0.00 N ATOM 737 CA SER A 50 -7.798 3.108 1.013 1.00 0.00 C ATOM 738 C SER A 50 -7.572 2.070 2.118 1.00 0.00 C ATOM 739 O SER A 50 -8.494 1.419 2.566 1.00 0.00 O ATOM 740 CB SER A 50 -7.354 2.527 -0.330 1.00 0.00 C ATOM 741 OG SER A 50 -8.203 1.440 -0.672 1.00 0.00 O ATOM 0 H SER A 50 -6.269 4.557 0.646 1.00 0.00 H new ATOM 0 HA SER A 50 -8.857 3.363 0.965 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.396 3.294 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.319 2.191 -0.270 1.00 0.00 H new ATOM 0 HG SER A 50 -8.365 1.443 -1.639 1.00 0.00 H new ATOM 747 N LEU A 51 -6.352 1.909 2.561 1.00 0.00 N ATOM 748 CA LEU A 51 -6.073 0.913 3.636 1.00 0.00 C ATOM 749 C LEU A 51 -6.670 1.398 4.963 1.00 0.00 C ATOM 750 O LEU A 51 -7.137 0.611 5.763 1.00 0.00 O ATOM 751 CB LEU A 51 -4.560 0.720 3.781 1.00 0.00 C ATOM 752 CG LEU A 51 -3.981 0.126 2.485 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.450 0.128 2.569 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.482 -1.318 2.281 1.00 0.00 C ATOM 0 H LEU A 51 -5.538 2.424 2.225 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.530 -0.040 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.082 1.675 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.348 0.059 4.621 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.309 0.732 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.035 -0.292 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.094 1.151 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.132 -0.473 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.062 -1.722 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.168 -1.934 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.570 -1.320 2.215 1.00 0.00 H new ATOM 766 N ILE A 52 -6.665 2.684 5.207 1.00 0.00 N ATOM 767 CA ILE A 52 -7.240 3.197 6.487 1.00 0.00 C ATOM 768 C ILE A 52 -8.651 2.622 6.659 1.00 0.00 C ATOM 769 O ILE A 52 -9.208 2.647 7.739 1.00 0.00 O ATOM 770 CB ILE A 52 -7.288 4.743 6.457 1.00 0.00 C ATOM 771 CG1 ILE A 52 -5.879 5.336 6.687 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.251 5.277 7.526 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.300 4.926 8.055 1.00 0.00 C ATOM 0 H ILE A 52 -6.291 3.396 4.580 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.617 2.888 7.327 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.646 5.048 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.210 5.001 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.928 6.423 6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.270 6.366 7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.253 4.890 7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.916 4.954 8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.309 5.364 8.177 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.955 5.284 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.226 3.840 8.108 1.00 0.00 H new ATOM 785 N ASN A 53 -9.231 2.093 5.613 1.00 0.00 N ATOM 786 CA ASN A 53 -10.600 1.507 5.743 1.00 0.00 C ATOM 787 C ASN A 53 -10.483 0.057 6.225 1.00 0.00 C ATOM 788 O ASN A 53 -11.410 -0.499 6.779 1.00 0.00 O ATOM 789 CB ASN A 53 -11.322 1.542 4.389 1.00 0.00 C ATOM 790 CG ASN A 53 -11.664 2.988 4.026 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.695 3.852 4.881 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.943 3.287 2.786 1.00 0.00 N ATOM 0 H ASN A 53 -8.820 2.041 4.681 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.174 2.091 6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.690 1.103 3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.232 0.943 4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.187 4.245 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.917 2.563 2.068 1.00 0.00 H new ATOM 799 N VAL A 54 -9.343 -0.558 6.028 1.00 0.00 N ATOM 800 CA VAL A 54 -9.153 -1.972 6.485 1.00 0.00 C ATOM 801 C VAL A 54 -8.527 -1.972 7.883 1.00 0.00 C ATOM 802 O VAL A 54 -7.449 -1.446 8.083 1.00 0.00 O ATOM 803 CB VAL A 54 -8.225 -2.703 5.514 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.040 -4.148 5.975 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.840 -2.693 4.114 1.00 0.00 C ATOM 0 H VAL A 54 -8.533 -0.141 5.569 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.118 -2.478 6.515 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.258 -2.201 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.379 -4.669 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.602 -4.158 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.008 -4.649 5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.178 -3.214 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.807 -3.194 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.973 -1.663 3.782 1.00 0.00 H new ATOM 815 N SER A 55 -9.196 -2.547 8.855 1.00 0.00 N ATOM 816 CA SER A 55 -8.649 -2.575 10.253 1.00 0.00 C ATOM 817 C SER A 55 -8.690 -4.001 10.810 1.00 0.00 C ATOM 818 O SER A 55 -9.542 -4.794 10.460 1.00 0.00 O ATOM 819 CB SER A 55 -9.496 -1.666 11.141 1.00 0.00 C ATOM 820 OG SER A 55 -9.336 -0.320 10.716 1.00 0.00 O ATOM 0 H SER A 55 -10.102 -3.001 8.741 1.00 0.00 H new ATOM 0 HA SER A 55 -7.616 -2.228 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.545 -1.956 11.084 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.193 -1.770 12.183 1.00 0.00 H new ATOM 0 HG SER A 55 -9.879 0.268 11.281 1.00 0.00 H new ATOM 826 N GLY A 56 -7.776 -4.327 11.688 1.00 0.00 N ATOM 827 CA GLY A 56 -7.754 -5.696 12.289 1.00 0.00 C ATOM 828 C GLY A 56 -6.828 -6.608 11.485 1.00 0.00 C ATOM 829 O GLY A 56 -6.527 -7.712 11.894 1.00 0.00 O ATOM 0 H GLY A 56 -7.040 -3.701 12.016 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.415 -5.642 13.324 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.762 -6.111 12.305 1.00 0.00 H new ATOM 833 N CYS A 57 -6.364 -6.162 10.348 1.00 0.00 N ATOM 834 CA CYS A 57 -5.448 -7.013 9.529 1.00 0.00 C ATOM 835 C CYS A 57 -3.998 -6.664 9.878 1.00 0.00 C ATOM 836 O CYS A 57 -3.407 -5.771 9.304 1.00 0.00 O ATOM 837 CB CYS A 57 -5.688 -6.751 8.041 1.00 0.00 C ATOM 838 SG CYS A 57 -7.383 -7.207 7.598 1.00 0.00 S ATOM 0 H CYS A 57 -6.578 -5.247 9.950 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.640 -8.064 9.743 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.515 -5.699 7.816 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.980 -7.325 7.443 1.00 0.00 H new ATOM 843 N SER A 58 -3.425 -7.363 10.818 1.00 0.00 N ATOM 844 CA SER A 58 -2.016 -7.081 11.218 1.00 0.00 C ATOM 845 C SER A 58 -1.092 -7.272 10.014 1.00 0.00 C ATOM 846 O SER A 58 -0.119 -6.566 9.840 1.00 0.00 O ATOM 847 CB SER A 58 -1.602 -8.050 12.327 1.00 0.00 C ATOM 848 OG SER A 58 -0.289 -7.727 12.766 1.00 0.00 O ATOM 0 H SER A 58 -3.874 -8.122 11.330 1.00 0.00 H new ATOM 0 HA SER A 58 -1.940 -6.054 11.576 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.302 -7.988 13.160 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.633 -9.076 11.960 1.00 0.00 H new ATOM 0 HG SER A 58 -0.021 -8.345 13.478 1.00 0.00 H new ATOM 854 N ALA A 59 -1.384 -8.241 9.196 1.00 0.00 N ATOM 855 CA ALA A 59 -0.530 -8.520 8.007 1.00 0.00 C ATOM 856 C ALA A 59 -0.264 -7.241 7.200 1.00 0.00 C ATOM 857 O ALA A 59 0.672 -7.186 6.427 1.00 0.00 O ATOM 858 CB ALA A 59 -1.241 -9.538 7.117 1.00 0.00 C ATOM 0 H ALA A 59 -2.188 -8.860 9.300 1.00 0.00 H new ATOM 0 HA ALA A 59 0.428 -8.912 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.625 -9.750 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.406 -10.459 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.200 -9.133 6.795 1.00 0.00 H new ATOM 864 N ILE A 60 -1.072 -6.215 7.359 1.00 0.00 N ATOM 865 CA ILE A 60 -0.851 -4.943 6.584 1.00 0.00 C ATOM 866 C ILE A 60 -0.825 -3.756 7.539 1.00 0.00 C ATOM 867 O ILE A 60 -0.581 -2.635 7.143 1.00 0.00 O ATOM 868 CB ILE A 60 -1.985 -4.751 5.574 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.332 -4.804 6.304 1.00 0.00 C ATOM 870 CG2 ILE A 60 -1.923 -5.859 4.519 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.471 -4.494 5.329 1.00 0.00 C ATOM 0 H ILE A 60 -1.873 -6.202 7.990 1.00 0.00 H new ATOM 0 HA ILE A 60 0.101 -5.008 6.057 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.878 -3.783 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.478 -5.791 6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.339 -4.086 7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.731 -5.722 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.965 -5.815 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.029 -6.829 5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.423 -4.534 5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.330 -3.498 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.471 -5.229 4.524 1.00 0.00 H new ATOM 883 N GLU A 61 -1.077 -3.987 8.794 1.00 0.00 N ATOM 884 CA GLU A 61 -1.068 -2.862 9.761 1.00 0.00 C ATOM 885 C GLU A 61 0.322 -2.227 9.750 1.00 0.00 C ATOM 886 O GLU A 61 0.467 -1.021 9.712 1.00 0.00 O ATOM 887 CB GLU A 61 -1.400 -3.402 11.153 1.00 0.00 C ATOM 888 CG GLU A 61 -1.400 -2.264 12.167 1.00 0.00 C ATOM 889 CD GLU A 61 -1.748 -2.812 13.551 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.139 -3.965 13.629 1.00 0.00 O ATOM 891 OE2 GLU A 61 -1.617 -2.070 14.510 1.00 0.00 O ATOM 0 H GLU A 61 -1.288 -4.903 9.190 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.809 -2.110 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.375 -3.889 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.670 -4.158 11.442 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.422 -1.784 12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.122 -1.502 11.874 1.00 0.00 H new ATOM 898 N LYS A 62 1.345 -3.032 9.759 1.00 0.00 N ATOM 899 CA LYS A 62 2.727 -2.482 9.722 1.00 0.00 C ATOM 900 C LYS A 62 2.918 -1.717 8.410 1.00 0.00 C ATOM 901 O LYS A 62 3.544 -0.678 8.368 1.00 0.00 O ATOM 902 CB LYS A 62 3.732 -3.633 9.809 1.00 0.00 C ATOM 903 CG LYS A 62 3.675 -4.237 11.213 1.00 0.00 C ATOM 904 CD LYS A 62 4.673 -5.391 11.322 1.00 0.00 C ATOM 905 CE LYS A 62 4.589 -6.007 12.721 1.00 0.00 C ATOM 906 NZ LYS A 62 3.250 -6.635 12.909 1.00 0.00 N ATOM 0 H LYS A 62 1.284 -4.050 9.790 1.00 0.00 H new ATOM 0 HA LYS A 62 2.887 -1.807 10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.500 -4.393 9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.738 -3.272 9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.905 -3.474 11.957 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.667 -4.595 11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.456 -6.146 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.684 -5.031 11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.373 -6.753 12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.752 -5.240 13.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.297 -7.326 13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.552 -5.900 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.966 -7.117 12.032 1.00 0.00 H new ATOM 920 N THR A 63 2.380 -2.233 7.336 1.00 0.00 N ATOM 921 CA THR A 63 2.523 -1.552 6.017 1.00 0.00 C ATOM 922 C THR A 63 1.909 -0.153 6.089 1.00 0.00 C ATOM 923 O THR A 63 2.438 0.790 5.539 1.00 0.00 O ATOM 924 CB THR A 63 1.819 -2.367 4.929 1.00 0.00 C ATOM 925 OG1 THR A 63 2.406 -3.659 4.854 1.00 0.00 O ATOM 926 CG2 THR A 63 1.979 -1.660 3.581 1.00 0.00 C ATOM 0 H THR A 63 1.845 -3.101 7.317 1.00 0.00 H new ATOM 0 HA THR A 63 3.582 -1.470 5.773 1.00 0.00 H new ATOM 0 HB THR A 63 0.760 -2.459 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.956 -4.183 4.159 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.478 -2.239 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.534 -0.666 3.636 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.038 -1.571 3.341 1.00 0.00 H new ATOM 934 N GLN A 64 0.795 -0.004 6.752 1.00 0.00 N ATOM 935 CA GLN A 64 0.169 1.346 6.831 1.00 0.00 C ATOM 936 C GLN A 64 1.142 2.324 7.493 1.00 0.00 C ATOM 937 O GLN A 64 1.266 3.459 7.078 1.00 0.00 O ATOM 938 CB GLN A 64 -1.122 1.273 7.654 1.00 0.00 C ATOM 939 CG GLN A 64 -2.188 0.504 6.870 1.00 0.00 C ATOM 940 CD GLN A 64 -3.478 0.430 7.691 1.00 0.00 C ATOM 941 OE1 GLN A 64 -4.529 0.124 7.164 1.00 0.00 O ATOM 942 NE2 GLN A 64 -3.443 0.699 8.968 1.00 0.00 N ATOM 0 H GLN A 64 0.296 -0.749 7.237 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.066 1.691 5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.930 0.780 8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.478 2.278 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.380 0.998 5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.832 -0.501 6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.561 0.956 9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.298 0.652 9.523 1.00 0.00 H new ATOM 951 N ARG A 65 1.843 1.899 8.509 1.00 0.00 N ATOM 952 CA ARG A 65 2.809 2.821 9.168 1.00 0.00 C ATOM 953 C ARG A 65 3.948 3.140 8.194 1.00 0.00 C ATOM 954 O ARG A 65 4.389 4.267 8.086 1.00 0.00 O ATOM 955 CB ARG A 65 3.390 2.150 10.422 1.00 0.00 C ATOM 956 CG ARG A 65 2.322 2.029 11.522 1.00 0.00 C ATOM 957 CD ARG A 65 2.167 3.360 12.275 1.00 0.00 C ATOM 958 NE ARG A 65 1.111 3.214 13.316 1.00 0.00 N ATOM 959 CZ ARG A 65 0.999 4.106 14.260 1.00 0.00 C ATOM 960 NH1 ARG A 65 1.822 5.118 14.302 1.00 0.00 N ATOM 961 NH2 ARG A 65 0.064 3.987 15.163 1.00 0.00 N ATOM 0 H ARG A 65 1.789 0.962 8.908 1.00 0.00 H new ATOM 0 HA ARG A 65 2.296 3.740 9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.770 1.161 10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.235 2.730 10.792 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.368 1.742 11.080 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.600 1.240 12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.113 3.643 12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.901 4.156 11.580 1.00 0.00 H new ATOM 0 HE ARG A 65 0.476 2.416 13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.553 5.211 13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.735 5.816 15.041 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.579 3.196 15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.023 4.685 15.902 1.00 0.00 H new ATOM 975 N MET A 66 4.428 2.154 7.485 1.00 0.00 N ATOM 976 CA MET A 66 5.538 2.397 6.521 1.00 0.00 C ATOM 977 C MET A 66 5.052 3.281 5.365 1.00 0.00 C ATOM 978 O MET A 66 5.755 4.163 4.915 1.00 0.00 O ATOM 979 CB MET A 66 6.064 1.056 5.994 1.00 0.00 C ATOM 980 CG MET A 66 6.804 0.329 7.126 1.00 0.00 C ATOM 981 SD MET A 66 7.666 -1.126 6.476 1.00 0.00 S ATOM 982 CE MET A 66 6.211 -2.148 6.141 1.00 0.00 C ATOM 0 H MET A 66 4.099 1.190 7.532 1.00 0.00 H new ATOM 0 HA MET A 66 6.350 2.918 7.029 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.238 0.444 5.631 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.735 1.220 5.150 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.519 1.005 7.596 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.096 0.027 7.898 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.525 -3.171 5.933 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.553 -2.140 7.010 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.677 -1.750 5.278 1.00 0.00 H new ATOM 992 N LEU A 67 3.856 3.064 4.885 1.00 0.00 N ATOM 993 CA LEU A 67 3.341 3.912 3.768 1.00 0.00 C ATOM 994 C LEU A 67 3.302 5.368 4.236 1.00 0.00 C ATOM 995 O LEU A 67 3.620 6.279 3.498 1.00 0.00 O ATOM 996 CB LEU A 67 1.927 3.469 3.373 1.00 0.00 C ATOM 997 CG LEU A 67 1.955 2.091 2.686 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.522 1.569 2.564 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.560 2.197 1.275 1.00 0.00 C ATOM 0 H LEU A 67 3.216 2.341 5.215 1.00 0.00 H new ATOM 0 HA LEU A 67 3.996 3.809 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.294 3.425 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.485 4.205 2.702 1.00 0.00 H new ATOM 0 HG LEU A 67 2.565 1.415 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.530 0.593 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.083 1.476 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.069 2.265 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.570 1.212 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.960 2.878 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.580 2.576 1.344 1.00 0.00 H new ATOM 1011 N SER A 68 2.912 5.592 5.461 1.00 0.00 N ATOM 1012 CA SER A 68 2.849 6.985 5.982 1.00 0.00 C ATOM 1013 C SER A 68 4.236 7.617 5.879 1.00 0.00 C ATOM 1014 O SER A 68 4.378 8.775 5.538 1.00 0.00 O ATOM 1015 CB SER A 68 2.408 6.965 7.447 1.00 0.00 C ATOM 1016 OG SER A 68 1.115 6.382 7.540 1.00 0.00 O ATOM 0 H SER A 68 2.634 4.868 6.124 1.00 0.00 H new ATOM 0 HA SER A 68 2.133 7.564 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.120 6.396 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.392 7.978 7.848 1.00 0.00 H new ATOM 0 HG SER A 68 1.177 5.419 7.368 1.00 0.00 H new ATOM 1022 N GLY A 69 5.260 6.865 6.167 1.00 0.00 N ATOM 1023 CA GLY A 69 6.638 7.422 6.080 1.00 0.00 C ATOM 1024 C GLY A 69 6.838 8.059 4.702 1.00 0.00 C ATOM 1025 O GLY A 69 7.616 8.976 4.537 1.00 0.00 O ATOM 0 H GLY A 69 5.203 5.889 6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.793 8.164 6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.373 6.633 6.239 1.00 0.00 H new ATOM 1029 N PHE A 70 6.138 7.574 3.710 1.00 0.00 N ATOM 1030 CA PHE A 70 6.280 8.142 2.334 1.00 0.00 C ATOM 1031 C PHE A 70 5.235 9.240 2.107 1.00 0.00 C ATOM 1032 O PHE A 70 5.308 9.979 1.145 1.00 0.00 O ATOM 1033 CB PHE A 70 6.064 7.027 1.304 1.00 0.00 C ATOM 1034 CG PHE A 70 7.279 6.135 1.248 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.318 6.431 0.358 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.366 5.013 2.080 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.444 5.603 0.298 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.493 4.186 2.021 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.532 4.481 1.129 1.00 0.00 C ATOM 0 H PHE A 70 5.471 6.806 3.793 1.00 0.00 H new ATOM 0 HA PHE A 70 7.278 8.567 2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.184 6.441 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.875 7.460 0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.250 7.298 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.564 4.786 2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.245 5.830 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.562 3.320 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.401 3.842 1.083 1.00 0.00 H new ATOM 1049 N CYS A 71 4.260 9.355 2.974 1.00 0.00 N ATOM 1050 CA CYS A 71 3.212 10.411 2.791 1.00 0.00 C ATOM 1051 C CYS A 71 2.783 10.982 4.161 1.00 0.00 C ATOM 1052 O CYS A 71 1.974 10.378 4.833 1.00 0.00 O ATOM 1053 CB CYS A 71 1.981 9.805 2.112 1.00 0.00 C ATOM 1054 SG CYS A 71 0.906 11.152 1.554 1.00 0.00 S ATOM 0 H CYS A 71 4.143 8.766 3.799 1.00 0.00 H new ATOM 0 HA CYS A 71 3.629 11.208 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.282 9.186 1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.446 9.157 2.807 1.00 0.00 H new ATOM 1059 N PRO A 72 3.299 12.132 4.576 1.00 0.00 N ATOM 1060 CA PRO A 72 2.897 12.750 5.888 1.00 0.00 C ATOM 1061 C PRO A 72 1.379 13.009 5.989 1.00 0.00 C ATOM 1062 O PRO A 72 0.950 14.035 6.476 1.00 0.00 O ATOM 1063 CB PRO A 72 3.679 14.078 5.872 1.00 0.00 C ATOM 1064 CG PRO A 72 4.763 13.974 4.792 1.00 0.00 C ATOM 1065 CD PRO A 72 4.322 12.894 3.795 1.00 0.00 C ATOM 0 HA PRO A 72 3.115 12.105 6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.010 14.912 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.129 14.268 6.847 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.893 14.931 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.724 13.715 5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.900 13.327 2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.154 12.260 3.489 1.00 0.00 H new ATOM 1073 N HIS A 73 0.573 12.113 5.492 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.906 12.328 5.509 1.00 0.00 C ATOM 1075 C HIS A 73 -1.550 11.785 6.792 1.00 0.00 C ATOM 1076 O HIS A 73 -1.692 10.592 6.971 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.513 11.587 4.288 1.00 0.00 C ATOM 1078 CG HIS A 73 -2.385 12.509 3.484 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.765 12.498 3.584 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -2.080 13.472 2.566 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -4.239 13.433 2.744 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -3.251 14.060 2.095 1.00 0.00 N ATOM 0 H HIS A 73 0.875 11.234 5.071 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.102 13.399 5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.713 11.196 3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.097 10.732 4.629 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.081 13.738 2.252 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.288 13.652 2.609 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.337 14.806 1.405 1.00 0.00 H new ATOM 1090 N LYS A 74 -2.007 12.658 7.648 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.718 12.193 8.871 1.00 0.00 C ATOM 1092 C LYS A 74 -4.167 11.958 8.447 1.00 0.00 C ATOM 1093 O LYS A 74 -5.039 12.766 8.697 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.659 13.279 9.952 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.206 13.491 10.376 1.00 0.00 C ATOM 1096 CD LYS A 74 -1.133 14.573 11.456 1.00 0.00 C ATOM 1097 CE LYS A 74 0.331 14.808 11.835 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.433 15.998 12.727 1.00 0.00 N ATOM 0 H LYS A 74 -1.919 13.670 7.553 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.267 11.289 9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.078 14.210 9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.262 12.986 10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.788 12.558 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.605 13.783 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.580 15.498 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.704 14.267 12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.732 13.928 12.338 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.929 14.962 10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.429 16.156 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.066 16.836 12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.125 15.834 13.590 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.418 10.880 7.752 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.796 10.611 7.242 1.00 0.00 C ATOM 1114 C VAL A 75 -6.580 9.704 8.202 1.00 0.00 C ATOM 1115 O VAL A 75 -6.164 8.612 8.536 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.678 9.953 5.853 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.579 8.876 5.871 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -7.024 9.331 5.443 1.00 0.00 C ATOM 0 H VAL A 75 -3.725 10.171 7.514 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.344 11.550 7.169 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.410 10.717 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.503 8.417 4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.625 9.334 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.829 8.113 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.927 8.870 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.312 8.574 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.787 10.108 5.405 1.00 0.00 H new ATOM 1128 N SER A 76 -7.733 10.161 8.628 1.00 0.00 N ATOM 1129 CA SER A 76 -8.592 9.355 9.549 1.00 0.00 C ATOM 1130 C SER A 76 -9.674 8.651 8.726 1.00 0.00 C ATOM 1131 O SER A 76 -9.831 8.904 7.548 1.00 0.00 O ATOM 1132 CB SER A 76 -9.260 10.283 10.566 1.00 0.00 C ATOM 1133 OG SER A 76 -10.141 11.168 9.885 1.00 0.00 O ATOM 0 H SER A 76 -8.119 11.070 8.373 1.00 0.00 H new ATOM 0 HA SER A 76 -7.982 8.620 10.073 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.811 9.698 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.504 10.850 11.110 1.00 0.00 H new ATOM 0 HG SER A 76 -10.572 11.763 10.533 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.422 7.771 9.331 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.491 7.058 8.575 1.00 0.00 C ATOM 1141 C ALA A 77 -12.531 8.065 8.075 1.00 0.00 C ATOM 1142 O ALA A 77 -13.408 7.731 7.302 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.166 6.034 9.490 1.00 0.00 C ATOM 0 H ALA A 77 -10.340 7.514 10.315 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.049 6.546 7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.948 5.512 8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.426 5.314 9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.606 6.545 10.346 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.445 9.297 8.510 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.431 10.329 8.059 1.00 0.00 C ATOM 1151 C GLY A 78 -12.817 11.175 6.939 1.00 0.00 C ATOM 1152 O GLY A 78 -13.512 11.690 6.087 1.00 0.00 O ATOM 0 H GLY A 78 -11.734 9.634 9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.342 9.846 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.713 10.967 8.897 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.519 11.328 6.938 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.860 12.150 5.879 1.00 0.00 C ATOM 1158 C GLN A 79 -10.522 11.274 4.668 1.00 0.00 C ATOM 1159 O GLN A 79 -9.894 10.244 4.792 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.568 12.749 6.441 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.907 13.724 7.572 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.615 14.259 8.191 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.564 13.663 8.046 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.646 15.365 8.883 1.00 0.00 N ATOM 0 H GLN A 79 -10.886 10.919 7.625 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.538 12.945 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.919 11.956 6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.021 13.266 5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.507 14.549 7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.506 13.222 8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.526 15.866 9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.790 15.729 9.302 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.931 11.688 3.493 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.631 10.905 2.250 1.00 0.00 C ATOM 1175 C PHE A 80 -10.048 11.855 1.204 1.00 0.00 C ATOM 1176 O PHE A 80 -10.484 12.980 1.079 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.917 10.271 1.723 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.394 9.233 2.711 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.773 7.980 2.760 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.449 9.526 3.583 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.208 7.019 3.678 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.884 8.564 4.503 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.264 7.310 4.550 1.00 0.00 C ATOM 0 H PHE A 80 -11.465 12.543 3.339 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.914 10.114 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.682 11.034 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.739 9.812 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.957 7.755 2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.927 10.494 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.729 6.052 3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.698 8.790 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.600 6.567 5.258 1.00 0.00 H new ATOM 1193 N SER A 81 -9.052 11.420 0.463 1.00 0.00 N ATOM 1194 CA SER A 81 -8.423 12.311 -0.571 1.00 0.00 C ATOM 1195 C SER A 81 -8.519 11.681 -1.971 1.00 0.00 C ATOM 1196 O SER A 81 -8.428 12.376 -2.962 1.00 0.00 O ATOM 1197 CB SER A 81 -6.946 12.525 -0.211 1.00 0.00 C ATOM 1198 OG SER A 81 -6.851 13.519 0.802 1.00 0.00 O ATOM 0 H SER A 81 -8.647 10.486 0.529 1.00 0.00 H new ATOM 0 HA SER A 81 -8.954 13.263 -0.585 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.505 11.591 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.385 12.833 -1.093 1.00 0.00 H new ATOM 0 HG SER A 81 -6.000 13.997 0.712 1.00 0.00 H new ATOM 1204 N SER A 82 -8.670 10.376 -2.069 1.00 0.00 N ATOM 1205 CA SER A 82 -8.739 9.720 -3.424 1.00 0.00 C ATOM 1206 C SER A 82 -10.078 9.008 -3.645 1.00 0.00 C ATOM 1207 O SER A 82 -10.347 8.522 -4.726 1.00 0.00 O ATOM 1208 CB SER A 82 -7.610 8.696 -3.541 1.00 0.00 C ATOM 1209 OG SER A 82 -7.476 8.300 -4.901 1.00 0.00 O ATOM 0 H SER A 82 -8.748 9.740 -1.276 1.00 0.00 H new ATOM 0 HA SER A 82 -8.639 10.499 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.675 9.125 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.824 7.828 -2.917 1.00 0.00 H new ATOM 0 HG SER A 82 -8.365 8.204 -5.303 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.917 8.922 -2.653 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.220 8.216 -2.850 1.00 0.00 C ATOM 1217 C LEU A 83 -13.275 9.185 -3.406 1.00 0.00 C ATOM 1218 O LEU A 83 -14.459 8.999 -3.204 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.711 7.648 -1.514 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.622 6.795 -0.843 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.242 6.008 0.320 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -11.006 5.812 -1.850 1.00 0.00 C ATOM 0 H LEU A 83 -10.763 9.305 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.070 7.404 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.998 8.465 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.602 7.042 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.837 7.455 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.474 5.401 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.661 6.703 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.032 5.360 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.238 5.218 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.783 5.152 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.560 6.368 -2.675 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.868 10.211 -4.108 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.874 11.167 -4.668 1.00 0.00 C ATOM 1236 C HIS A 84 -14.578 10.518 -5.862 1.00 0.00 C ATOM 1237 O HIS A 84 -15.766 10.677 -6.060 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.181 12.448 -5.144 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.195 12.908 -4.114 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.468 12.870 -2.758 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -10.933 13.427 -4.231 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.389 13.353 -2.117 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.424 13.709 -2.968 1.00 0.00 N ATOM 0 H HIS A 84 -11.894 10.428 -4.317 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.596 11.413 -3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.673 12.266 -6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.922 13.227 -5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.412 13.592 -5.163 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.312 13.442 -1.043 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.511 14.103 -2.741 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.847 9.793 -6.661 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.458 9.132 -7.848 1.00 0.00 C ATOM 1253 C VAL A 85 -15.221 7.886 -7.394 1.00 0.00 C ATOM 1254 O VAL A 85 -14.948 7.323 -6.353 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.352 8.746 -8.840 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.234 8.011 -8.100 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -13.923 7.839 -9.937 1.00 0.00 C ATOM 0 H VAL A 85 -12.847 9.629 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.152 9.815 -8.339 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.953 9.651 -9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.449 7.737 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.819 8.661 -7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.636 7.110 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -13.131 7.570 -10.636 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.331 6.934 -9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.714 8.367 -10.470 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.188 7.457 -8.163 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.982 6.253 -7.776 1.00 0.00 C ATOM 1269 C ARG A 86 -16.373 5.004 -8.421 1.00 0.00 C ATOM 1270 O ARG A 86 -16.953 4.402 -9.302 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.419 6.431 -8.270 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.058 7.622 -7.543 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.510 7.831 -8.021 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.782 9.298 -8.166 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.443 10.144 -7.228 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -20.013 9.716 -6.073 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -20.578 11.427 -7.432 1.00 0.00 N ATOM 0 H ARG A 86 -16.463 7.890 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.971 6.137 -6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.428 6.599 -9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.995 5.524 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.045 7.449 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.475 8.524 -7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.667 7.325 -8.974 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.206 7.390 -7.308 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.239 9.642 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -19.939 8.714 -5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -19.751 10.383 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.947 11.766 -8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.315 12.090 -6.703 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.210 4.607 -7.980 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.563 3.391 -8.554 1.00 0.00 C ATOM 1293 C ASP A 87 -15.142 2.154 -7.865 1.00 0.00 C ATOM 1294 O ASP A 87 -15.851 2.259 -6.888 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.053 3.449 -8.309 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.431 4.547 -9.175 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.024 4.885 -10.186 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.371 5.029 -8.814 1.00 0.00 O ATOM 0 H ASP A 87 -14.678 5.073 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.751 3.343 -9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.853 3.646 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.600 2.486 -8.545 1.00 0.00 H new ATOM 1303 N THR A 88 -14.853 0.979 -8.359 1.00 0.00 N ATOM 1304 CA THR A 88 -15.401 -0.253 -7.711 1.00 0.00 C ATOM 1305 C THR A 88 -14.404 -0.765 -6.669 1.00 0.00 C ATOM 1306 O THR A 88 -13.227 -0.466 -6.720 1.00 0.00 O ATOM 1307 CB THR A 88 -15.617 -1.337 -8.770 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.370 -1.676 -9.360 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.570 -0.821 -9.847 1.00 0.00 C ATOM 0 H THR A 88 -14.266 0.817 -9.177 1.00 0.00 H new ATOM 0 HA THR A 88 -16.350 -0.016 -7.230 1.00 0.00 H new ATOM 0 HB THR A 88 -16.050 -2.221 -8.301 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.507 -2.371 -10.037 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.722 -1.595 -10.600 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.527 -0.564 -9.393 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.142 0.064 -10.318 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.868 -1.535 -5.722 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.954 -2.071 -4.671 1.00 0.00 C ATOM 1319 C LYS A 89 -13.329 -3.384 -5.152 1.00 0.00 C ATOM 1320 O LYS A 89 -13.906 -4.104 -5.942 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.743 -2.336 -3.389 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.265 -1.021 -2.810 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.049 -1.320 -1.530 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.582 -0.019 -0.934 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.580 -0.334 0.127 1.00 0.00 N ATOM 0 H LYS A 89 -15.844 -1.817 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.169 -1.340 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.577 -3.006 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.107 -2.837 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.435 -0.348 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.905 -0.517 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.876 -1.996 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.406 -1.825 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.762 0.565 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.042 0.589 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.944 0.551 0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.367 -0.875 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.126 -0.898 0.874 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.145 -3.696 -4.678 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.456 -4.960 -5.094 1.00 0.00 C ATOM 1341 C ILE A 90 -10.931 -5.694 -3.855 1.00 0.00 C ATOM 1342 O ILE A 90 -10.770 -5.115 -2.799 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.294 -4.616 -6.033 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.318 -3.659 -5.333 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.851 -3.948 -7.292 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.072 -3.456 -6.201 1.00 0.00 C ATOM 0 H ILE A 90 -11.622 -3.124 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.161 -5.608 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.762 -5.529 -6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.804 -2.701 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.033 -4.063 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.031 -3.700 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.538 -4.631 -7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.382 -3.037 -7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.385 -2.776 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.580 -4.415 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.363 -3.032 -7.162 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.665 -6.966 -3.980 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.151 -7.746 -2.817 1.00 0.00 C ATOM 1360 C GLU A 91 -8.758 -7.255 -2.430 1.00 0.00 C ATOM 1361 O GLU A 91 -7.975 -6.846 -3.265 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.080 -9.225 -3.193 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.497 -9.788 -3.304 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.429 -11.267 -3.679 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.349 -11.724 -4.016 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.460 -11.917 -3.628 1.00 0.00 O ATOM 0 H GLU A 91 -10.782 -7.501 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.824 -7.610 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.553 -9.346 -4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.515 -9.776 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.024 -9.666 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.061 -9.237 -4.056 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.443 -7.292 -1.163 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.099 -6.827 -0.717 1.00 0.00 C ATOM 1375 C VAL A 92 -6.012 -7.632 -1.435 1.00 0.00 C ATOM 1376 O VAL A 92 -5.001 -7.099 -1.844 1.00 0.00 O ATOM 1377 CB VAL A 92 -6.975 -7.034 0.794 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.544 -6.733 1.244 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -7.944 -6.095 1.512 1.00 0.00 C ATOM 0 H VAL A 92 -9.057 -7.624 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.979 -5.770 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.216 -8.069 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.462 -6.882 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.853 -7.402 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.296 -5.700 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.859 -6.239 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.701 -5.062 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.964 -6.314 1.196 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.209 -8.911 -1.593 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.181 -9.741 -2.282 1.00 0.00 C ATOM 1391 C ALA A 93 -4.797 -9.089 -3.614 1.00 0.00 C ATOM 1392 O ALA A 93 -3.641 -9.036 -3.980 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.752 -11.137 -2.550 1.00 0.00 C ATOM 0 H ALA A 93 -7.036 -9.417 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.297 -9.819 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.002 -11.746 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.025 -11.606 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.636 -11.053 -3.182 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.760 -8.599 -4.344 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.457 -7.963 -5.661 1.00 0.00 C ATOM 1401 C GLN A 94 -4.837 -6.580 -5.449 1.00 0.00 C ATOM 1402 O GLN A 94 -3.931 -6.177 -6.153 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.757 -7.801 -6.446 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.263 -9.172 -6.886 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.660 -9.025 -7.492 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.273 -7.983 -7.386 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -9.192 -10.035 -8.126 1.00 0.00 N ATOM 0 H GLN A 94 -6.747 -8.611 -4.086 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.756 -8.594 -6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.507 -7.306 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.591 -7.167 -7.317 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.581 -9.607 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.293 -9.852 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.676 -10.910 -8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.123 -9.948 -8.533 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.332 -5.846 -4.496 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.796 -4.479 -4.240 1.00 0.00 C ATOM 1418 C PHE A 95 -3.308 -4.551 -3.892 1.00 0.00 C ATOM 1419 O PHE A 95 -2.499 -3.835 -4.448 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.564 -3.869 -3.071 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.001 -2.511 -2.732 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.937 -2.404 -1.828 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.545 -1.361 -3.314 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.416 -1.145 -1.507 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.024 -0.103 -2.991 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.960 0.005 -2.089 1.00 0.00 C ATOM 0 H PHE A 95 -6.090 -6.134 -3.878 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.915 -3.866 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.620 -3.780 -3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.500 -4.525 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.518 -3.292 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.366 -1.444 -4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.595 -1.062 -0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.444 0.786 -3.439 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.558 0.977 -1.842 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.938 -5.397 -2.972 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.501 -5.491 -2.594 1.00 0.00 C ATOM 1438 C VAL A 96 -0.677 -5.941 -3.801 1.00 0.00 C ATOM 1439 O VAL A 96 0.365 -5.388 -4.092 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.325 -6.506 -1.467 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.137 -6.512 -1.023 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.211 -6.126 -0.282 1.00 0.00 C ATOM 0 H VAL A 96 -3.565 -6.024 -2.468 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.161 -4.511 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.610 -7.496 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.270 -7.235 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.772 -6.786 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.414 -5.519 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.080 -6.854 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.931 -5.136 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.255 -6.116 -0.597 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.128 -6.946 -4.503 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.358 -7.428 -5.683 1.00 0.00 C ATOM 1454 C LYS A 97 -0.214 -6.301 -6.713 1.00 0.00 C ATOM 1455 O LYS A 97 0.861 -6.057 -7.229 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.087 -8.628 -6.303 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.977 -9.834 -5.361 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.703 -11.035 -5.974 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.588 -12.239 -5.035 1.00 0.00 C ATOM 1460 NZ LYS A 97 -0.149 -12.565 -4.826 1.00 0.00 N ATOM 0 H LYS A 97 -1.993 -7.451 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 97 0.639 -7.735 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.135 -8.382 -6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.653 -8.870 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.071 -10.079 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.411 -9.591 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.752 -10.791 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.272 -11.276 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.065 -12.017 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.109 -13.097 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.059 -13.550 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.368 -12.445 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.250 -11.928 -4.107 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.274 -5.598 -7.008 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.166 -4.487 -7.997 1.00 0.00 C ATOM 1476 C ASP A 98 -0.155 -3.460 -7.490 1.00 0.00 C ATOM 1477 O ASP A 98 0.662 -2.957 -8.234 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.530 -3.815 -8.165 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.482 -4.759 -8.901 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.013 -5.502 -9.747 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.667 -4.718 -8.612 1.00 0.00 O ATOM 0 H ASP A 98 -2.202 -5.743 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.838 -4.885 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.941 -3.556 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.422 -2.885 -8.722 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.201 -3.152 -6.224 1.00 0.00 N ATOM 1487 CA LEU A 99 0.761 -2.166 -5.657 1.00 0.00 C ATOM 1488 C LEU A 99 2.191 -2.686 -5.831 1.00 0.00 C ATOM 1489 O LEU A 99 3.102 -1.939 -6.117 1.00 0.00 O ATOM 1490 CB LEU A 99 0.460 -1.966 -4.164 1.00 0.00 C ATOM 1491 CG LEU A 99 1.438 -0.952 -3.548 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.298 0.416 -4.238 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.135 -0.810 -2.051 1.00 0.00 C ATOM 0 H LEU A 99 -0.865 -3.542 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 99 0.661 -1.214 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.564 -1.615 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.538 -2.919 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 99 2.459 -1.308 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.997 1.122 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.518 0.312 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.280 0.784 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.825 -0.092 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.111 -0.460 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.253 -1.777 -1.562 1.00 0.00 H new ATOM 1505 N LEU A 100 2.397 -3.959 -5.633 1.00 0.00 N ATOM 1506 CA LEU A 100 3.773 -4.525 -5.749 1.00 0.00 C ATOM 1507 C LEU A 100 4.382 -4.228 -7.124 1.00 0.00 C ATOM 1508 O LEU A 100 5.542 -3.880 -7.220 1.00 0.00 O ATOM 1509 CB LEU A 100 3.716 -6.040 -5.514 1.00 0.00 C ATOM 1510 CG LEU A 100 5.108 -6.671 -5.689 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.118 -6.014 -4.737 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.014 -8.167 -5.371 1.00 0.00 C ATOM 0 H LEU A 100 1.670 -4.634 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 100 4.408 -4.057 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.343 -6.243 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.015 -6.495 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 100 5.444 -6.520 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.098 -6.472 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.182 -4.948 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.792 -6.155 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.995 -8.627 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.674 -8.300 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.306 -8.640 -6.051 1.00 0.00 H new ATOM 1524 N LEU A 101 3.642 -4.359 -8.191 1.00 0.00 N ATOM 1525 CA LEU A 101 4.259 -4.071 -9.525 1.00 0.00 C ATOM 1526 C LEU A 101 4.740 -2.613 -9.570 1.00 0.00 C ATOM 1527 O LEU A 101 5.796 -2.317 -10.094 1.00 0.00 O ATOM 1528 CB LEU A 101 3.240 -4.309 -10.653 1.00 0.00 C ATOM 1529 CG LEU A 101 3.144 -5.808 -10.999 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.435 -6.296 -11.688 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.899 -6.619 -9.724 1.00 0.00 C ATOM 0 H LEU A 101 2.663 -4.645 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 101 5.106 -4.742 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.261 -3.938 -10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.533 -3.745 -11.539 1.00 0.00 H new ATOM 0 HG LEU A 101 2.311 -5.950 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.344 -7.357 -11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.591 -5.733 -12.608 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.283 -6.144 -11.021 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.832 -7.678 -9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.724 -6.462 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.967 -6.296 -9.261 1.00 0.00 H new ATOM 1543 N HIS A 102 3.977 -1.701 -9.044 1.00 0.00 N ATOM 1544 CA HIS A 102 4.400 -0.270 -9.072 1.00 0.00 C ATOM 1545 C HIS A 102 5.585 -0.016 -8.130 1.00 0.00 C ATOM 1546 O HIS A 102 6.475 0.741 -8.445 1.00 0.00 O ATOM 1547 CB HIS A 102 3.217 0.619 -8.670 1.00 0.00 C ATOM 1548 CG HIS A 102 2.275 0.745 -9.834 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.373 1.776 -10.754 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.232 -0.035 -10.254 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.413 1.589 -11.675 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.687 0.498 -11.418 1.00 0.00 N ATOM 0 H HIS A 102 3.079 -1.880 -8.595 1.00 0.00 H new ATOM 0 HA HIS A 102 4.720 -0.028 -10.085 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.699 0.190 -7.813 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.573 1.604 -8.367 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.885 -0.929 -9.757 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.248 2.241 -12.520 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.098 0.134 -11.958 1.00 0.00 H new ATOM 1560 N LEU A 103 5.601 -0.608 -6.971 1.00 0.00 N ATOM 1561 CA LEU A 103 6.733 -0.338 -6.035 1.00 0.00 C ATOM 1562 C LEU A 103 8.061 -0.745 -6.680 1.00 0.00 C ATOM 1563 O LEU A 103 9.009 0.012 -6.698 1.00 0.00 O ATOM 1564 CB LEU A 103 6.540 -1.145 -4.747 1.00 0.00 C ATOM 1565 CG LEU A 103 5.277 -0.681 -4.007 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.009 -1.631 -2.835 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.454 0.753 -3.475 1.00 0.00 C ATOM 0 H LEU A 103 4.892 -1.258 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 103 6.751 0.728 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.461 -2.206 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.411 -1.026 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 103 4.436 -0.691 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.114 -1.309 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.863 -2.643 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.860 -1.618 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.548 1.062 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.297 0.784 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.642 1.430 -4.309 1.00 0.00 H new ATOM 1579 N LYS A 104 8.140 -1.932 -7.206 1.00 0.00 N ATOM 1580 CA LYS A 104 9.411 -2.385 -7.842 1.00 0.00 C ATOM 1581 C LYS A 104 9.671 -1.612 -9.143 1.00 0.00 C ATOM 1582 O LYS A 104 10.801 -1.451 -9.562 1.00 0.00 O ATOM 1583 CB LYS A 104 9.317 -3.884 -8.139 1.00 0.00 C ATOM 1584 CG LYS A 104 8.193 -4.137 -9.146 1.00 0.00 C ATOM 1585 CD LYS A 104 7.825 -5.625 -9.152 1.00 0.00 C ATOM 1586 CE LYS A 104 9.085 -6.476 -9.335 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.696 -7.835 -9.809 1.00 0.00 N ATOM 0 H LYS A 104 7.380 -2.612 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 104 10.238 -2.194 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.265 -4.246 -8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.126 -4.436 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.320 -3.538 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.509 -3.827 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.330 -5.889 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.118 -5.830 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.755 -6.005 -10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.629 -6.548 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.549 -8.416 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.073 -8.282 -9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.194 -7.756 -10.717 1.00 0.00 H new ATOM 1601 N LYS A 105 8.638 -1.156 -9.799 1.00 0.00 N ATOM 1602 CA LYS A 105 8.828 -0.422 -11.088 1.00 0.00 C ATOM 1603 C LYS A 105 9.583 0.897 -10.861 1.00 0.00 C ATOM 1604 O LYS A 105 10.504 1.222 -11.584 1.00 0.00 O ATOM 1605 CB LYS A 105 7.455 -0.121 -11.690 1.00 0.00 C ATOM 1606 CG LYS A 105 7.618 0.484 -13.085 1.00 0.00 C ATOM 1607 CD LYS A 105 6.235 0.789 -13.665 1.00 0.00 C ATOM 1608 CE LYS A 105 6.367 1.174 -15.138 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.831 -0.007 -15.918 1.00 0.00 N ATOM 0 H LYS A 105 7.669 -1.259 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 105 9.415 -1.043 -11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.865 -1.036 -11.748 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.910 0.569 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.213 1.396 -13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.154 -0.208 -13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.587 -0.082 -13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.767 1.601 -13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.408 1.523 -15.521 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.073 1.997 -15.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.544 0.099 -16.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.867 -0.075 -15.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.406 -0.871 -15.525 1.00 0.00 H new ATOM 1623 N LEU A 106 9.203 1.663 -9.873 1.00 0.00 N ATOM 1624 CA LEU A 106 9.908 2.957 -9.620 1.00 0.00 C ATOM 1625 C LEU A 106 11.378 2.687 -9.293 1.00 0.00 C ATOM 1626 O LEU A 106 12.241 3.496 -9.572 1.00 0.00 O ATOM 1627 CB LEU A 106 9.243 3.707 -8.448 1.00 0.00 C ATOM 1628 CG LEU A 106 7.979 4.480 -8.900 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.374 5.814 -9.544 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.151 3.666 -9.906 1.00 0.00 C ATOM 0 H LEU A 106 8.438 1.451 -9.232 1.00 0.00 H new ATOM 0 HA LEU A 106 9.843 3.575 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.974 2.995 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.958 4.404 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 106 7.373 4.660 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.476 6.347 -9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.922 6.419 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.006 5.626 -10.412 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.272 4.239 -10.201 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.757 3.451 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.836 2.730 -9.445 1.00 0.00 H new ATOM 1642 N PHE A 107 11.676 1.566 -8.701 1.00 0.00 N ATOM 1643 CA PHE A 107 13.094 1.273 -8.366 1.00 0.00 C ATOM 1644 C PHE A 107 13.917 1.259 -9.652 1.00 0.00 C ATOM 1645 O PHE A 107 15.031 1.742 -9.695 1.00 0.00 O ATOM 1646 CB PHE A 107 13.204 -0.092 -7.683 1.00 0.00 C ATOM 1647 CG PHE A 107 14.653 -0.356 -7.355 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.245 0.294 -6.267 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.407 -1.240 -8.136 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.588 0.063 -5.957 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.753 -1.473 -7.826 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.344 -0.821 -6.736 1.00 0.00 C ATOM 0 H PHE A 107 11.004 0.845 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 107 13.468 2.041 -7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.602 -0.109 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.817 -0.873 -8.337 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.663 0.976 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.951 -1.742 -8.977 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.043 0.566 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.335 -2.155 -8.427 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.382 -1.000 -6.497 1.00 0.00 H new ATOM 1662 N ARG A 108 13.376 0.707 -10.700 1.00 0.00 N ATOM 1663 CA ARG A 108 14.123 0.655 -11.985 1.00 0.00 C ATOM 1664 C ARG A 108 14.445 2.080 -12.451 1.00 0.00 C ATOM 1665 O ARG A 108 15.496 2.333 -13.006 1.00 0.00 O ATOM 1666 CB ARG A 108 13.280 -0.062 -13.042 1.00 0.00 C ATOM 1667 CG ARG A 108 13.189 -1.551 -12.692 1.00 0.00 C ATOM 1668 CD ARG A 108 12.359 -2.282 -13.750 1.00 0.00 C ATOM 1669 NE ARG A 108 12.301 -3.737 -13.423 1.00 0.00 N ATOM 1670 CZ ARG A 108 11.412 -4.501 -13.999 1.00 0.00 C ATOM 1671 NH1 ARG A 108 10.538 -3.983 -14.818 1.00 0.00 N ATOM 1672 NH2 ARG A 108 11.392 -5.783 -13.750 1.00 0.00 N ATOM 0 H ARG A 108 12.446 0.288 -10.722 1.00 0.00 H new ATOM 0 HA ARG A 108 15.054 0.107 -11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.282 0.375 -13.086 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.727 0.065 -14.028 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.188 -1.983 -12.638 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.734 -1.676 -11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.352 -1.867 -13.787 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.800 -2.138 -14.736 1.00 0.00 H new ATOM 0 HE ARG A 108 12.956 -4.135 -12.750 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.549 -2.981 -15.009 1.00 0.00 H new ATOM 0 HH12 ARG A 108 9.844 -4.580 -15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.071 -6.188 -13.105 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.697 -6.379 -14.200 1.00 0.00 H new ATOM 1686 N GLU A 109 13.555 3.015 -12.234 1.00 0.00 N ATOM 1687 CA GLU A 109 13.828 4.418 -12.671 1.00 0.00 C ATOM 1688 C GLU A 109 14.681 5.126 -11.614 1.00 0.00 C ATOM 1689 O GLU A 109 15.275 6.154 -11.870 1.00 0.00 O ATOM 1690 CB GLU A 109 12.505 5.173 -12.831 1.00 0.00 C ATOM 1691 CG GLU A 109 11.743 4.636 -14.044 1.00 0.00 C ATOM 1692 CD GLU A 109 10.423 5.396 -14.190 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.084 6.135 -13.281 1.00 0.00 O ATOM 1694 OE2 GLU A 109 9.773 5.227 -15.210 1.00 0.00 O ATOM 0 H GLU A 109 12.656 2.869 -11.776 1.00 0.00 H new ATOM 0 HA GLU A 109 14.359 4.400 -13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.900 5.060 -11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.697 6.239 -12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.344 4.752 -14.946 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.551 3.570 -13.924 1.00 0.00 H new ATOM 1701 N GLY A 110 14.757 4.579 -10.430 1.00 0.00 N ATOM 1702 CA GLY A 110 15.580 5.217 -9.366 1.00 0.00 C ATOM 1703 C GLY A 110 14.909 6.506 -8.887 1.00 0.00 C ATOM 1704 O GLY A 110 15.452 7.229 -8.076 1.00 0.00 O ATOM 0 H GLY A 110 14.284 3.718 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.704 4.529 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.577 5.437 -9.748 1.00 0.00 H new ATOM 1708 N ARG A 111 13.729 6.801 -9.371 1.00 0.00 N ATOM 1709 CA ARG A 111 13.032 8.047 -8.926 1.00 0.00 C ATOM 1710 C ARG A 111 12.120 7.702 -7.754 1.00 0.00 C ATOM 1711 O ARG A 111 11.066 7.121 -7.918 1.00 0.00 O ATOM 1712 CB ARG A 111 12.198 8.620 -10.076 1.00 0.00 C ATOM 1713 CG ARG A 111 13.131 9.038 -11.214 1.00 0.00 C ATOM 1714 CD ARG A 111 12.362 9.876 -12.237 1.00 0.00 C ATOM 1715 NE ARG A 111 11.103 9.177 -12.619 1.00 0.00 N ATOM 1716 CZ ARG A 111 10.165 9.831 -13.250 1.00 0.00 C ATOM 1717 NH1 ARG A 111 10.340 11.089 -13.552 1.00 0.00 N ATOM 1718 NH2 ARG A 111 9.055 9.230 -13.579 1.00 0.00 N ATOM 0 H ARG A 111 13.220 6.237 -10.051 1.00 0.00 H new ATOM 0 HA ARG A 111 13.767 8.792 -8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.484 7.876 -10.430 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.620 9.477 -9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.969 9.612 -10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.550 8.154 -11.696 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.132 10.856 -11.819 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.978 10.043 -13.120 1.00 0.00 H new ATOM 0 HE ARG A 111 10.974 8.192 -12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.208 11.559 -13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.609 11.602 -14.045 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.918 8.247 -13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.324 9.743 -14.072 1.00 0.00 H new ATOM 1732 N PHE A 112 12.536 8.040 -6.566 1.00 0.00 N ATOM 1733 CA PHE A 112 11.723 7.725 -5.358 1.00 0.00 C ATOM 1734 C PHE A 112 10.875 8.933 -4.977 1.00 0.00 C ATOM 1735 O PHE A 112 11.363 10.041 -4.875 1.00 0.00 O ATOM 1736 CB PHE A 112 12.677 7.359 -4.224 1.00 0.00 C ATOM 1737 CG PHE A 112 13.528 6.212 -4.702 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.015 4.915 -4.680 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.816 6.448 -5.197 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.787 3.849 -5.151 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.591 5.380 -5.665 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.076 4.081 -5.644 1.00 0.00 C ATOM 0 H PHE A 112 13.413 8.526 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 112 11.051 6.890 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.299 8.213 -3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.120 7.077 -3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.021 4.734 -4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.211 7.453 -5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.388 2.845 -5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.587 5.560 -6.042 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.672 3.257 -6.008 1.00 0.00 H new ATOM 1752 N ASN A 113 9.605 8.730 -4.772 1.00 0.00 N ATOM 1753 CA ASN A 113 8.725 9.869 -4.405 1.00 0.00 C ATOM 1754 C ASN A 113 8.887 10.982 -5.443 1.00 0.00 C ATOM 1755 CB ASN A 113 9.124 10.393 -3.026 1.00 0.00 C ATOM 1756 CG ASN A 113 8.041 11.339 -2.509 1.00 0.00 C ATOM 1757 OD1 ASN A 113 6.916 11.304 -2.968 1.00 0.00 O ATOM 1758 ND2 ASN A 113 8.335 12.192 -1.566 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.057 10.658 -6.607 1.00 0.00 O ATOM 0 H ASN A 113 9.140 7.825 -4.843 1.00 0.00 H new ATOM 0 HA ASN A 113 7.686 9.541 -4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.257 9.562 -2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.079 10.914 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.621 12.829 -1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.279 12.221 -1.181 1.00 0.00 H new TER 1766 ASN A 113