USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 518 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 34 CYS SG : rot 180:sc= -0.688 USER MOD Set 1.2: A 54 CYS SG : rot 180:sc= -4.85! USER MOD Set 2.1: A 31 GLN :FLIP amide:sc= -0.305 F(o=-2.1!,f=-0.31) USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 37 CYS SG : rot 147:sc= 0.381 USER MOD Set 3.2: A 39 GLN : amide:sc=-0.00653 X(o=-2.7,f=-2.9) USER MOD Set 3.3: A 58 HIS : no HE2:sc= -3.09! X(o=-2.7!,f=-2.4) USER MOD Set 4.1: A 5 CYS SG : rot -138:sc= -0.109 USER MOD Set 4.2: A 8 CYS SG : rot 6:sc= 0.605 USER MOD Set 4.3: A 21 CYS SG : rot -138:sc= 1.95 USER MOD Set 4.4: A 23 THR OG1 : rot 79:sc= 1.53 USER MOD Set 4.5: A 24 CYS SG : rot -93:sc= 0.19 USER MOD Single : A 4 THR OG1 : rot -0:sc= 1.03 USER MOD Single : A 9 HIS : no HD1:sc=-0.00988 X(o=-0.0099,f=-0.012) USER MOD Single : A 10 HIS : no HE2:sc= 0.607 K(o=0.61,f=-5.5!) USER MOD Single : A 15 ASN : amide:sc=-0.00771 K(o=-0.0077,f=-1) USER MOD Single : A 18 THR OG1 : rot 130:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -1.04! C(o=-1!,f=-5.8!) USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= 1.29 (180deg=1.03) USER MOD Single : A 29 SER OG : rot 71:sc= 1.22 USER MOD Single : A 42 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.047) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0309 (180deg=-0.29) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.935 F(o=-2!,f=-0.94) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00669 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.24) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 11.223 2.976 4.328 1.00 0.00 N ATOM 21 CA GLU A 2 11.672 3.855 3.261 1.00 0.00 C ATOM 22 C GLU A 2 10.976 3.502 1.954 1.00 0.00 C ATOM 23 O GLU A 2 11.376 2.572 1.252 1.00 0.00 O ATOM 24 CB GLU A 2 13.192 3.777 3.102 1.00 0.00 C ATOM 25 CG GLU A 2 13.948 4.232 4.340 1.00 0.00 C ATOM 26 CD GLU A 2 15.450 4.124 4.187 1.00 0.00 C ATOM 27 OE1 GLU A 2 16.010 3.052 4.499 1.00 0.00 O ATOM 28 OE2 GLU A 2 16.086 5.115 3.760 1.00 0.00 O ATOM 0 HA GLU A 2 11.410 4.880 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.474 2.750 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.494 4.391 2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.684 5.266 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.631 3.633 5.194 1.00 0.00 H new ATOM 35 N ILE A 3 9.917 4.240 1.655 1.00 0.00 N ATOM 36 CA ILE A 3 9.128 4.015 0.453 1.00 0.00 C ATOM 37 C ILE A 3 9.917 4.449 -0.773 1.00 0.00 C ATOM 38 O ILE A 3 10.122 3.667 -1.701 1.00 0.00 O ATOM 39 CB ILE A 3 7.799 4.798 0.506 1.00 0.00 C ATOM 40 CG1 ILE A 3 7.106 4.584 1.856 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.884 4.372 -0.635 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.926 5.507 2.084 1.00 0.00 C ATOM 0 H ILE A 3 9.582 5.008 2.236 1.00 0.00 H new ATOM 0 HA ILE A 3 8.903 2.950 0.392 1.00 0.00 H new ATOM 0 HB ILE A 3 8.019 5.860 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.766 3.550 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.832 4.732 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.951 4.934 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.374 4.571 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.671 3.306 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.485 5.299 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.263 6.543 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.180 5.343 1.306 1.00 0.00 H new ATOM 54 N THR A 4 10.361 5.705 -0.730 1.00 0.00 N ATOM 55 CA THR A 4 11.195 6.333 -1.767 1.00 0.00 C ATOM 56 C THR A 4 10.515 6.382 -3.143 1.00 0.00 C ATOM 57 O THR A 4 9.563 5.652 -3.421 1.00 0.00 O ATOM 58 CB THR A 4 12.589 5.661 -1.895 1.00 0.00 C ATOM 59 OG1 THR A 4 12.473 4.317 -2.373 1.00 0.00 O ATOM 60 CG2 THR A 4 13.315 5.658 -0.555 1.00 0.00 C ATOM 0 H THR A 4 10.148 6.334 0.044 1.00 0.00 H new ATOM 0 HA THR A 4 11.334 7.359 -1.427 1.00 0.00 H new ATOM 0 HB THR A 4 13.165 6.243 -2.614 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.528 4.100 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.289 5.182 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.450 6.684 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.726 5.106 0.177 1.00 0.00 H new ATOM 68 N CYS A 5 11.004 7.277 -3.992 1.00 0.00 N ATOM 69 CA CYS A 5 10.511 7.401 -5.356 1.00 0.00 C ATOM 70 C CYS A 5 11.478 6.722 -6.322 1.00 0.00 C ATOM 71 O CYS A 5 12.693 6.887 -6.209 1.00 0.00 O ATOM 72 CB CYS A 5 10.346 8.881 -5.726 1.00 0.00 C ATOM 73 SG CYS A 5 9.886 9.176 -7.451 1.00 0.00 S ATOM 0 H CYS A 5 11.749 7.933 -3.756 1.00 0.00 H new ATOM 0 HA CYS A 5 9.539 6.913 -5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.586 9.321 -5.080 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.281 9.401 -5.519 1.00 0.00 H new ATOM 0 HG CYS A 5 10.559 10.188 -7.913 1.00 0.00 H new ATOM 78 N PRO A 6 10.958 5.944 -7.283 1.00 0.00 N ATOM 79 CA PRO A 6 11.787 5.223 -8.259 1.00 0.00 C ATOM 80 C PRO A 6 12.744 6.143 -9.020 1.00 0.00 C ATOM 81 O PRO A 6 13.874 5.763 -9.332 1.00 0.00 O ATOM 82 CB PRO A 6 10.761 4.615 -9.219 1.00 0.00 C ATOM 83 CG PRO A 6 9.505 4.517 -8.423 1.00 0.00 C ATOM 84 CD PRO A 6 9.518 5.691 -7.486 1.00 0.00 C ATOM 0 HA PRO A 6 12.430 4.489 -7.773 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.623 5.242 -10.100 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.082 3.635 -9.573 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.629 4.544 -9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.464 3.578 -7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.014 6.556 -7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.013 5.463 -6.547 1.00 0.00 H new ATOM 92 N VAL A 7 12.300 7.365 -9.293 1.00 0.00 N ATOM 93 CA VAL A 7 13.081 8.292 -10.102 1.00 0.00 C ATOM 94 C VAL A 7 13.553 9.505 -9.302 1.00 0.00 C ATOM 95 O VAL A 7 13.841 10.562 -9.876 1.00 0.00 O ATOM 96 CB VAL A 7 12.284 8.773 -11.334 1.00 0.00 C ATOM 97 CG1 VAL A 7 12.132 7.645 -12.340 1.00 0.00 C ATOM 98 CG2 VAL A 7 10.919 9.307 -10.925 1.00 0.00 C ATOM 0 H VAL A 7 11.407 7.735 -8.967 1.00 0.00 H new ATOM 0 HA VAL A 7 13.959 7.738 -10.434 1.00 0.00 H new ATOM 0 HB VAL A 7 12.840 9.586 -11.801 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.568 8.000 -13.202 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.118 7.311 -12.664 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.601 6.813 -11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.378 9.639 -11.811 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.353 8.518 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.047 10.147 -10.242 1.00 0.00 H new ATOM 108 N CYS A 8 13.643 9.359 -7.987 1.00 0.00 N ATOM 109 CA CYS A 8 14.169 10.430 -7.137 1.00 0.00 C ATOM 110 C CYS A 8 14.876 9.872 -5.906 1.00 0.00 C ATOM 111 O CYS A 8 15.661 10.573 -5.268 1.00 0.00 O ATOM 112 CB CYS A 8 13.044 11.362 -6.673 1.00 0.00 C ATOM 113 SG CYS A 8 12.255 12.315 -7.990 1.00 0.00 S ATOM 0 H CYS A 8 13.362 8.517 -7.484 1.00 0.00 H new ATOM 0 HA CYS A 8 14.886 10.987 -7.740 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.283 10.766 -6.169 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.447 12.055 -5.934 1.00 0.00 H new ATOM 0 HG CYS A 8 12.716 11.927 -9.142 1.00 0.00 H new ATOM 118 N HIS A 9 14.606 8.607 -5.597 1.00 0.00 N ATOM 119 CA HIS A 9 14.968 8.017 -4.314 1.00 0.00 C ATOM 120 C HIS A 9 14.331 8.850 -3.206 1.00 0.00 C ATOM 121 O HIS A 9 13.138 8.691 -2.931 1.00 0.00 O ATOM 122 CB HIS A 9 16.490 7.909 -4.130 1.00 0.00 C ATOM 123 CG HIS A 9 16.897 6.990 -3.012 1.00 0.00 C ATOM 124 ND1 HIS A 9 17.501 5.772 -3.225 1.00 0.00 N ATOM 125 CD2 HIS A 9 16.779 7.113 -1.667 1.00 0.00 C ATOM 126 CE1 HIS A 9 17.733 5.189 -2.068 1.00 0.00 C ATOM 127 NE2 HIS A 9 17.305 5.979 -1.109 1.00 0.00 N ATOM 0 H HIS A 9 14.130 7.963 -6.229 1.00 0.00 H new ATOM 0 HA HIS A 9 14.591 6.995 -4.274 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.936 7.556 -5.060 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.896 8.902 -3.939 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.350 7.949 -1.135 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.197 4.224 -1.930 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.356 5.779 -0.110 1.00 0.00 H new ATOM 136 N HIS A 10 15.109 9.762 -2.612 1.00 0.00 N ATOM 137 CA HIS A 10 14.581 10.723 -1.645 1.00 0.00 C ATOM 138 C HIS A 10 13.833 10.000 -0.519 1.00 0.00 C ATOM 139 O HIS A 10 14.024 8.803 -0.298 1.00 0.00 O ATOM 140 CB HIS A 10 13.641 11.694 -2.381 1.00 0.00 C ATOM 141 CG HIS A 10 13.475 13.034 -1.727 1.00 0.00 C ATOM 142 ND1 HIS A 10 12.347 13.402 -1.021 1.00 0.00 N ATOM 143 CD2 HIS A 10 14.291 14.110 -1.709 1.00 0.00 C ATOM 144 CE1 HIS A 10 12.482 14.647 -0.604 1.00 0.00 C ATOM 145 NE2 HIS A 10 13.652 15.098 -1.007 1.00 0.00 N ATOM 0 H HIS A 10 16.110 9.852 -2.787 1.00 0.00 H new ATOM 0 HA HIS A 10 15.403 11.278 -1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 10 14.018 11.844 -3.393 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.660 11.227 -2.473 1.00 0.00 H new ATOM 0 HD1 HIS A 10 11.537 12.806 -0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 10 15.268 14.179 -2.164 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.756 15.202 -0.029 1.00 0.00 H new ATOM 154 N ALA A 11 13.015 10.734 0.207 1.00 0.00 N ATOM 155 CA ALA A 11 12.068 10.138 1.123 1.00 0.00 C ATOM 156 C ALA A 11 10.669 10.585 0.740 1.00 0.00 C ATOM 157 O ALA A 11 10.487 11.700 0.242 1.00 0.00 O ATOM 158 CB ALA A 11 12.387 10.527 2.557 1.00 0.00 C ATOM 0 H ALA A 11 12.988 11.753 0.179 1.00 0.00 H new ATOM 0 HA ALA A 11 12.132 9.052 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.662 10.067 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.389 10.182 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.340 11.611 2.659 1.00 0.00 H new ATOM 164 N LEU A 12 9.694 9.716 0.926 1.00 0.00 N ATOM 165 CA LEU A 12 8.315 10.060 0.633 1.00 0.00 C ATOM 166 C LEU A 12 7.569 10.357 1.917 1.00 0.00 C ATOM 167 O LEU A 12 7.505 9.519 2.819 1.00 0.00 O ATOM 168 CB LEU A 12 7.612 8.933 -0.129 1.00 0.00 C ATOM 169 CG LEU A 12 8.131 8.673 -1.542 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.245 7.661 -2.250 1.00 0.00 C ATOM 171 CD2 LEU A 12 8.200 9.965 -2.338 1.00 0.00 C ATOM 0 H LEU A 12 9.830 8.768 1.278 1.00 0.00 H new ATOM 0 HA LEU A 12 8.317 10.948 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.706 8.014 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.549 9.166 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 12 9.139 8.265 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.626 7.485 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.245 6.724 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.227 8.047 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.572 9.755 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.205 10.405 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.872 10.664 -1.840 1.00 0.00 H new ATOM 183 N GLU A 13 7.021 11.554 2.003 1.00 0.00 N ATOM 184 CA GLU A 13 6.280 11.961 3.178 1.00 0.00 C ATOM 185 C GLU A 13 4.831 11.510 3.063 1.00 0.00 C ATOM 186 O GLU A 13 4.093 11.940 2.173 1.00 0.00 O ATOM 187 CB GLU A 13 6.391 13.470 3.376 1.00 0.00 C ATOM 188 CG GLU A 13 7.825 13.913 3.626 1.00 0.00 C ATOM 189 CD GLU A 13 7.946 15.379 3.975 1.00 0.00 C ATOM 190 OE1 GLU A 13 7.618 15.747 5.123 1.00 0.00 O ATOM 191 OE2 GLU A 13 8.390 16.164 3.113 1.00 0.00 O ATOM 0 H GLU A 13 7.076 12.262 1.271 1.00 0.00 H new ATOM 0 HA GLU A 13 6.707 11.482 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.004 13.980 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.768 13.771 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.246 13.318 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.421 13.708 2.737 1.00 0.00 H new ATOM 198 N ARG A 14 4.448 10.613 3.958 1.00 0.00 N ATOM 199 CA ARG A 14 3.130 10.005 3.928 1.00 0.00 C ATOM 200 C ARG A 14 2.099 10.924 4.574 1.00 0.00 C ATOM 201 O ARG A 14 2.265 11.354 5.714 1.00 0.00 O ATOM 202 CB ARG A 14 3.172 8.654 4.649 1.00 0.00 C ATOM 203 CG ARG A 14 1.848 7.909 4.662 1.00 0.00 C ATOM 204 CD ARG A 14 1.965 6.600 5.426 1.00 0.00 C ATOM 205 NE ARG A 14 0.677 5.923 5.567 1.00 0.00 N ATOM 206 CZ ARG A 14 0.451 4.927 6.420 1.00 0.00 C ATOM 207 NH1 ARG A 14 1.421 4.479 7.207 1.00 0.00 N ATOM 208 NH2 ARG A 14 -0.754 4.382 6.494 1.00 0.00 N ATOM 0 H ARG A 14 5.040 10.288 4.722 1.00 0.00 H new ATOM 0 HA ARG A 14 2.836 9.847 2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.924 8.025 4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.495 8.815 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.080 8.533 5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.529 7.709 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.664 5.942 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.381 6.795 6.415 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.095 6.233 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.350 4.899 7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.238 3.715 7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.507 4.726 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.929 3.618 7.147 1.00 0.00 H new ATOM 222 N ASN A 15 1.045 11.227 3.837 1.00 0.00 N ATOM 223 CA ASN A 15 -0.033 12.059 4.358 1.00 0.00 C ATOM 224 C ASN A 15 -1.126 11.187 4.957 1.00 0.00 C ATOM 225 O ASN A 15 -2.091 11.684 5.537 1.00 0.00 O ATOM 226 CB ASN A 15 -0.612 12.952 3.254 1.00 0.00 C ATOM 227 CG ASN A 15 0.350 14.040 2.813 1.00 0.00 C ATOM 228 OD1 ASN A 15 1.168 14.521 3.596 1.00 0.00 O ATOM 229 ND2 ASN A 15 0.251 14.440 1.554 1.00 0.00 N ATOM 0 H ASN A 15 0.910 10.911 2.877 1.00 0.00 H new ATOM 0 HA ASN A 15 0.375 12.701 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.875 12.335 2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.534 13.411 3.611 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.867 15.173 1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.441 14.015 0.937 1.00 0.00 H new ATOM 236 N GLY A 16 -0.962 9.880 4.807 1.00 0.00 N ATOM 237 CA GLY A 16 -1.928 8.934 5.329 1.00 0.00 C ATOM 238 C GLY A 16 -2.226 7.838 4.332 1.00 0.00 C ATOM 239 O GLY A 16 -1.727 6.717 4.456 1.00 0.00 O ATOM 0 H GLY A 16 -0.168 9.455 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.547 8.495 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.850 9.457 5.583 1.00 0.00 H new ATOM 243 N ASP A 17 -3.014 8.177 3.327 1.00 0.00 N ATOM 244 CA ASP A 17 -3.365 7.244 2.264 1.00 0.00 C ATOM 245 C ASP A 17 -2.300 7.295 1.178 1.00 0.00 C ATOM 246 O ASP A 17 -1.899 6.273 0.620 1.00 0.00 O ATOM 247 CB ASP A 17 -4.732 7.615 1.675 1.00 0.00 C ATOM 248 CG ASP A 17 -5.228 6.640 0.619 1.00 0.00 C ATOM 249 OD1 ASP A 17 -4.699 6.655 -0.514 1.00 0.00 O ATOM 250 OD2 ASP A 17 -6.177 5.876 0.913 1.00 0.00 O ATOM 0 H ASP A 17 -3.429 9.103 3.222 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.420 6.234 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.463 7.666 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.671 8.611 1.237 1.00 0.00 H new ATOM 255 N THR A 18 -1.823 8.499 0.911 1.00 0.00 N ATOM 256 CA THR A 18 -0.867 8.719 -0.156 1.00 0.00 C ATOM 257 C THR A 18 0.449 9.281 0.384 1.00 0.00 C ATOM 258 O THR A 18 0.486 9.924 1.440 1.00 0.00 O ATOM 259 CB THR A 18 -1.451 9.679 -1.220 1.00 0.00 C ATOM 260 OG1 THR A 18 -0.560 9.799 -2.335 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.708 11.060 -0.632 1.00 0.00 C ATOM 0 H THR A 18 -2.085 9.342 1.422 1.00 0.00 H new ATOM 0 HA THR A 18 -0.663 7.754 -0.620 1.00 0.00 H new ATOM 0 HB THR A 18 -2.398 9.257 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.056 9.654 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.118 11.713 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.418 10.979 0.191 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.772 11.478 -0.263 1.00 0.00 H new ATOM 269 N ALA A 19 1.527 9.002 -0.332 1.00 0.00 N ATOM 270 CA ALA A 19 2.829 9.570 -0.034 1.00 0.00 C ATOM 271 C ALA A 19 3.214 10.539 -1.141 1.00 0.00 C ATOM 272 O ALA A 19 3.176 10.190 -2.322 1.00 0.00 O ATOM 273 CB ALA A 19 3.874 8.473 0.110 1.00 0.00 C ATOM 0 H ALA A 19 1.522 8.375 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 19 2.781 10.107 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.843 8.920 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.588 7.803 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.940 7.909 -0.821 1.00 0.00 H new ATOM 279 N HIS A 20 3.569 11.754 -0.764 1.00 0.00 N ATOM 280 CA HIS A 20 3.809 12.804 -1.738 1.00 0.00 C ATOM 281 C HIS A 20 5.301 12.982 -2.010 1.00 0.00 C ATOM 282 O HIS A 20 6.081 13.270 -1.103 1.00 0.00 O ATOM 283 CB HIS A 20 3.198 14.119 -1.240 1.00 0.00 C ATOM 284 CG HIS A 20 3.201 15.223 -2.254 1.00 0.00 C ATOM 285 ND1 HIS A 20 2.186 15.413 -3.165 1.00 0.00 N ATOM 286 CD2 HIS A 20 4.103 16.205 -2.493 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.464 16.457 -3.920 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.620 16.958 -3.532 1.00 0.00 N ATOM 0 H HIS A 20 3.697 12.038 0.207 1.00 0.00 H new ATOM 0 HA HIS A 20 3.335 12.516 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.171 13.933 -0.926 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.746 14.450 -0.358 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.349 14.835 -3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.031 16.365 -1.963 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.848 16.838 -4.722 1.00 0.00 H new ATOM 297 N CYS A 21 5.690 12.788 -3.261 1.00 0.00 N ATOM 298 CA CYS A 21 7.043 13.084 -3.694 1.00 0.00 C ATOM 299 C CYS A 21 7.149 14.566 -4.022 1.00 0.00 C ATOM 300 O CYS A 21 6.373 15.089 -4.828 1.00 0.00 O ATOM 301 CB CYS A 21 7.427 12.249 -4.920 1.00 0.00 C ATOM 302 SG CYS A 21 9.112 12.547 -5.514 1.00 0.00 S ATOM 0 H CYS A 21 5.083 12.425 -3.996 1.00 0.00 H new ATOM 0 HA CYS A 21 7.731 12.831 -2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.320 11.192 -4.675 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.725 12.462 -5.726 1.00 0.00 H new ATOM 0 HG CYS A 21 9.111 12.604 -6.813 1.00 0.00 H new ATOM 307 N GLU A 22 8.092 15.238 -3.387 1.00 0.00 N ATOM 308 CA GLU A 22 8.264 16.672 -3.566 1.00 0.00 C ATOM 309 C GLU A 22 8.989 16.984 -4.867 1.00 0.00 C ATOM 310 O GLU A 22 8.647 17.938 -5.564 1.00 0.00 O ATOM 311 CB GLU A 22 9.052 17.255 -2.393 1.00 0.00 C ATOM 312 CG GLU A 22 8.370 17.084 -1.048 1.00 0.00 C ATOM 313 CD GLU A 22 6.997 17.721 -1.008 1.00 0.00 C ATOM 314 OE1 GLU A 22 6.817 18.800 -1.609 1.00 0.00 O ATOM 315 OE2 GLU A 22 6.090 17.139 -0.380 1.00 0.00 O ATOM 0 H GLU A 22 8.755 14.813 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 22 7.273 17.124 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.032 16.780 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.219 18.317 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.281 16.021 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.994 17.524 -0.270 1.00 0.00 H new ATOM 322 N THR A 23 9.973 16.156 -5.197 1.00 0.00 N ATOM 323 CA THR A 23 10.871 16.421 -6.313 1.00 0.00 C ATOM 324 C THR A 23 10.135 16.524 -7.653 1.00 0.00 C ATOM 325 O THR A 23 10.188 17.561 -8.315 1.00 0.00 O ATOM 326 CB THR A 23 11.956 15.336 -6.385 1.00 0.00 C ATOM 327 OG1 THR A 23 11.633 14.276 -5.470 1.00 0.00 O ATOM 328 CG2 THR A 23 13.322 15.912 -6.038 1.00 0.00 C ATOM 0 H THR A 23 10.170 15.287 -4.701 1.00 0.00 H new ATOM 0 HA THR A 23 11.332 17.391 -6.129 1.00 0.00 H new ATOM 0 HB THR A 23 11.994 14.948 -7.403 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.947 13.700 -5.866 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.074 15.125 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.572 16.705 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.299 16.319 -5.027 1.00 0.00 H new ATOM 336 N CYS A 24 9.448 15.462 -8.053 1.00 0.00 N ATOM 337 CA CYS A 24 8.747 15.464 -9.332 1.00 0.00 C ATOM 338 C CYS A 24 7.243 15.646 -9.146 1.00 0.00 C ATOM 339 O CYS A 24 6.473 15.538 -10.105 1.00 0.00 O ATOM 340 CB CYS A 24 9.046 14.173 -10.099 1.00 0.00 C ATOM 341 SG CYS A 24 8.857 12.670 -9.114 1.00 0.00 S ATOM 0 H CYS A 24 9.361 14.598 -7.519 1.00 0.00 H new ATOM 0 HA CYS A 24 9.109 16.312 -9.914 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.384 14.114 -10.963 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.066 14.218 -10.482 1.00 0.00 H new ATOM 0 HG CYS A 24 10.004 12.344 -8.595 1.00 0.00 H new ATOM 346 N ALA A 25 6.841 15.954 -7.910 1.00 0.00 N ATOM 347 CA ALA A 25 5.434 16.154 -7.563 1.00 0.00 C ATOM 348 C ALA A 25 4.593 14.940 -7.953 1.00 0.00 C ATOM 349 O ALA A 25 3.904 14.942 -8.977 1.00 0.00 O ATOM 350 CB ALA A 25 4.888 17.424 -8.203 1.00 0.00 C ATOM 0 H ALA A 25 7.481 16.071 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 25 5.371 16.270 -6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.840 17.548 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.459 18.283 -7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.973 17.351 -9.287 1.00 0.00 H new ATOM 356 N LYS A 26 4.680 13.895 -7.146 1.00 0.00 N ATOM 357 CA LYS A 26 3.958 12.657 -7.407 1.00 0.00 C ATOM 358 C LYS A 26 3.273 12.164 -6.141 1.00 0.00 C ATOM 359 O LYS A 26 3.911 12.021 -5.100 1.00 0.00 O ATOM 360 CB LYS A 26 4.918 11.580 -7.924 1.00 0.00 C ATOM 361 CG LYS A 26 5.526 11.874 -9.290 1.00 0.00 C ATOM 362 CD LYS A 26 4.745 11.213 -10.421 1.00 0.00 C ATOM 363 CE LYS A 26 3.371 11.834 -10.619 1.00 0.00 C ATOM 364 NZ LYS A 26 3.453 13.248 -11.075 1.00 0.00 N ATOM 0 H LYS A 26 5.247 13.879 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 26 3.201 12.856 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.724 11.454 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.385 10.631 -7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.552 12.952 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.558 11.524 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.314 11.294 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.633 10.150 -10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.812 11.250 -11.351 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.815 11.788 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.669 13.448 -11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.388 13.882 -10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.359 13.404 -11.562 1.00 0.00 H new ATOM 378 N ASP A 27 1.977 11.922 -6.228 1.00 0.00 N ATOM 379 CA ASP A 27 1.223 11.393 -5.096 1.00 0.00 C ATOM 380 C ASP A 27 0.983 9.903 -5.278 1.00 0.00 C ATOM 381 O ASP A 27 0.200 9.487 -6.133 1.00 0.00 O ATOM 382 CB ASP A 27 -0.114 12.128 -4.940 1.00 0.00 C ATOM 383 CG ASP A 27 0.062 13.591 -4.588 1.00 0.00 C ATOM 384 OD1 ASP A 27 0.277 14.408 -5.504 1.00 0.00 O ATOM 385 OD2 ASP A 27 -0.025 13.940 -3.389 1.00 0.00 O ATOM 0 H ASP A 27 1.422 12.082 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 27 1.808 11.551 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.679 12.047 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.704 11.640 -4.164 1.00 0.00 H new ATOM 390 N PHE A 28 1.672 9.100 -4.481 1.00 0.00 N ATOM 391 CA PHE A 28 1.566 7.651 -4.575 1.00 0.00 C ATOM 392 C PHE A 28 0.675 7.103 -3.470 1.00 0.00 C ATOM 393 O PHE A 28 1.026 7.177 -2.296 1.00 0.00 O ATOM 394 CB PHE A 28 2.947 7.003 -4.471 1.00 0.00 C ATOM 395 CG PHE A 28 3.906 7.400 -5.556 1.00 0.00 C ATOM 396 CD1 PHE A 28 3.793 6.864 -6.828 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.933 8.294 -5.298 1.00 0.00 C ATOM 398 CE1 PHE A 28 4.684 7.214 -7.824 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.826 8.649 -6.289 1.00 0.00 C ATOM 400 CZ PHE A 28 5.701 8.108 -7.554 1.00 0.00 C ATOM 0 H PHE A 28 2.313 9.429 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 28 1.126 7.413 -5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.383 7.261 -3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.828 5.920 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.999 6.164 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.036 8.718 -4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.585 6.789 -8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.621 9.348 -6.076 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.398 8.384 -8.331 1.00 0.00 H new ATOM 410 N SER A 29 -0.479 6.568 -3.843 1.00 0.00 N ATOM 411 CA SER A 29 -1.377 5.951 -2.876 1.00 0.00 C ATOM 412 C SER A 29 -0.830 4.591 -2.450 1.00 0.00 C ATOM 413 O SER A 29 -0.366 3.807 -3.286 1.00 0.00 O ATOM 414 CB SER A 29 -2.783 5.806 -3.470 1.00 0.00 C ATOM 415 OG SER A 29 -3.688 5.222 -2.545 1.00 0.00 O ATOM 0 H SER A 29 -0.815 6.548 -4.806 1.00 0.00 H new ATOM 0 HA SER A 29 -1.443 6.591 -1.996 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.153 6.786 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.736 5.192 -4.370 1.00 0.00 H new ATOM 0 HG SER A 29 -3.886 5.864 -1.832 1.00 0.00 H new ATOM 421 N LEU A 30 -0.864 4.323 -1.152 1.00 0.00 N ATOM 422 CA LEU A 30 -0.347 3.073 -0.625 1.00 0.00 C ATOM 423 C LEU A 30 -1.479 2.112 -0.307 1.00 0.00 C ATOM 424 O LEU A 30 -2.620 2.519 -0.095 1.00 0.00 O ATOM 425 CB LEU A 30 0.503 3.299 0.631 1.00 0.00 C ATOM 426 CG LEU A 30 1.833 4.026 0.410 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.631 5.530 0.345 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.820 3.666 1.505 1.00 0.00 C ATOM 0 H LEU A 30 -1.244 4.955 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 30 0.288 2.637 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.087 3.869 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.710 2.331 1.086 1.00 0.00 H new ATOM 0 HG LEU A 30 2.241 3.702 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.592 6.020 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.961 5.772 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.195 5.879 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.760 4.190 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.412 3.958 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.997 2.591 1.496 1.00 0.00 H new ATOM 440 N GLN A 31 -1.155 0.835 -0.281 1.00 0.00 N ATOM 441 CA GLN A 31 -2.127 -0.196 0.005 1.00 0.00 C ATOM 442 C GLN A 31 -1.564 -1.148 1.056 1.00 0.00 C ATOM 443 O GLN A 31 -0.350 -1.223 1.240 1.00 0.00 O ATOM 444 CB GLN A 31 -2.463 -0.952 -1.282 1.00 0.00 C ATOM 445 CG GLN A 31 -3.898 -1.446 -1.358 1.00 0.00 C ATOM 446 CD GLN A 31 -4.899 -0.355 -1.733 1.00 0.00 C ATOM 447 OE1 GLN A 31 -4.613 0.892 -1.374 1.00 0.00 O flip ATOM 448 NE2 GLN A 31 -5.928 -0.634 -2.347 1.00 0.00 N flip ATOM 0 H GLN A 31 -0.213 0.485 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.040 0.254 0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.269 -0.300 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.791 -1.806 -1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.958 -2.251 -2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.179 -1.870 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.119 -1.601 -2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.590 0.102 -2.594 1.00 0.00 H new ATOM 457 N ALA A 32 -2.443 -1.859 1.748 1.00 0.00 N ATOM 458 CA ALA A 32 -2.024 -2.794 2.785 1.00 0.00 C ATOM 459 C ALA A 32 -1.943 -4.211 2.228 1.00 0.00 C ATOM 460 O ALA A 32 -2.957 -4.790 1.841 1.00 0.00 O ATOM 461 CB ALA A 32 -2.986 -2.736 3.962 1.00 0.00 C ATOM 0 H ALA A 32 -3.452 -1.807 1.611 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.031 -2.508 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.663 -3.438 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.996 -1.727 4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.988 -3.001 3.626 1.00 0.00 H new ATOM 467 N LEU A 33 -0.732 -4.751 2.169 1.00 0.00 N ATOM 468 CA LEU A 33 -0.502 -6.082 1.616 1.00 0.00 C ATOM 469 C LEU A 33 0.073 -7.032 2.666 1.00 0.00 C ATOM 470 O LEU A 33 0.741 -6.601 3.612 1.00 0.00 O ATOM 471 CB LEU A 33 0.464 -6.017 0.420 1.00 0.00 C ATOM 472 CG LEU A 33 -0.130 -5.565 -0.922 1.00 0.00 C ATOM 473 CD1 LEU A 33 -0.613 -4.126 -0.860 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.899 -5.725 -2.028 1.00 0.00 C ATOM 0 H LEU A 33 0.113 -4.284 2.500 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.469 -6.462 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.279 -5.340 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.902 -7.005 0.282 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.991 -6.197 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.027 -3.839 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.382 -4.033 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.224 -3.472 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.468 -5.402 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.774 -5.117 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.194 -6.772 -2.102 1.00 0.00 H new ATOM 486 N CYS A 34 -0.183 -8.322 2.484 1.00 0.00 N ATOM 487 CA CYS A 34 0.406 -9.357 3.321 1.00 0.00 C ATOM 488 C CYS A 34 1.638 -9.942 2.643 1.00 0.00 C ATOM 489 O CYS A 34 1.686 -10.044 1.416 1.00 0.00 O ATOM 490 CB CYS A 34 -0.594 -10.486 3.595 1.00 0.00 C ATOM 491 SG CYS A 34 -1.948 -10.059 4.712 1.00 0.00 S ATOM 0 H CYS A 34 -0.802 -8.678 1.755 1.00 0.00 H new ATOM 0 HA CYS A 34 0.685 -8.896 4.268 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.017 -10.814 2.645 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.053 -11.335 4.013 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.726 -11.089 4.865 1.00 0.00 H new ATOM 496 N PRO A 35 2.650 -10.338 3.426 1.00 0.00 N ATOM 497 CA PRO A 35 3.839 -11.003 2.893 1.00 0.00 C ATOM 498 C PRO A 35 3.505 -12.372 2.305 1.00 0.00 C ATOM 499 O PRO A 35 4.183 -12.857 1.396 1.00 0.00 O ATOM 500 CB PRO A 35 4.755 -11.150 4.113 1.00 0.00 C ATOM 501 CG PRO A 35 3.849 -11.063 5.292 1.00 0.00 C ATOM 502 CD PRO A 35 2.727 -10.149 4.887 1.00 0.00 C ATOM 0 HA PRO A 35 4.294 -10.438 2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.287 -12.101 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.509 -10.363 4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.470 -12.048 5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.377 -10.671 6.161 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.792 -10.418 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.938 -9.112 5.148 1.00 0.00 H new ATOM 510 N ASP A 36 2.448 -12.984 2.824 1.00 0.00 N ATOM 511 CA ASP A 36 2.033 -14.313 2.386 1.00 0.00 C ATOM 512 C ASP A 36 1.168 -14.243 1.137 1.00 0.00 C ATOM 513 O ASP A 36 1.180 -15.158 0.311 1.00 0.00 O ATOM 514 CB ASP A 36 1.258 -15.027 3.496 1.00 0.00 C ATOM 515 CG ASP A 36 2.124 -15.393 4.682 1.00 0.00 C ATOM 516 OD1 ASP A 36 2.396 -14.508 5.519 1.00 0.00 O ATOM 517 OD2 ASP A 36 2.516 -16.572 4.796 1.00 0.00 O ATOM 0 H ASP A 36 1.859 -12.580 3.552 1.00 0.00 H new ATOM 0 HA ASP A 36 2.938 -14.874 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.443 -14.386 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.805 -15.932 3.091 1.00 0.00 H new ATOM 522 N CYS A 37 0.410 -13.163 0.993 1.00 0.00 N ATOM 523 CA CYS A 37 -0.503 -13.042 -0.129 1.00 0.00 C ATOM 524 C CYS A 37 -0.637 -11.600 -0.597 1.00 0.00 C ATOM 525 O CYS A 37 -1.044 -10.724 0.168 1.00 0.00 O ATOM 526 CB CYS A 37 -1.888 -13.614 0.232 1.00 0.00 C ATOM 527 SG CYS A 37 -2.722 -12.850 1.669 1.00 0.00 S ATOM 0 H CYS A 37 0.411 -12.369 1.633 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.083 -13.621 -0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.539 -13.512 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.779 -14.681 0.426 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.008 -12.856 1.478 1.00 0.00 H new ATOM 532 N ARG A 38 -0.291 -11.354 -1.855 1.00 0.00 N ATOM 533 CA ARG A 38 -0.542 -10.054 -2.452 1.00 0.00 C ATOM 534 C ARG A 38 -2.005 -9.975 -2.860 1.00 0.00 C ATOM 535 O ARG A 38 -2.377 -10.295 -3.988 1.00 0.00 O ATOM 536 CB ARG A 38 0.363 -9.784 -3.658 1.00 0.00 C ATOM 537 CG ARG A 38 0.144 -8.404 -4.259 1.00 0.00 C ATOM 538 CD ARG A 38 1.096 -8.114 -5.405 1.00 0.00 C ATOM 539 NE ARG A 38 0.909 -6.758 -5.921 1.00 0.00 N ATOM 540 CZ ARG A 38 1.568 -6.246 -6.960 1.00 0.00 C ATOM 541 NH1 ARG A 38 2.435 -6.985 -7.643 1.00 0.00 N ATOM 542 NH2 ARG A 38 1.340 -4.993 -7.321 1.00 0.00 N ATOM 0 H ARG A 38 0.158 -12.030 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.314 -9.288 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.405 -9.882 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.181 -10.541 -4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.883 -8.325 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.272 -7.649 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.125 -8.238 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.935 -8.836 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 38 0.226 -6.162 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.602 -7.955 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.934 -6.583 -8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.665 -4.428 -6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.839 -4.592 -8.115 1.00 0.00 H new ATOM 556 N GLN A 39 -2.830 -9.610 -1.901 1.00 0.00 N ATOM 557 CA GLN A 39 -4.259 -9.494 -2.109 1.00 0.00 C ATOM 558 C GLN A 39 -4.711 -8.141 -1.592 1.00 0.00 C ATOM 559 O GLN A 39 -3.917 -7.414 -1.001 1.00 0.00 O ATOM 560 CB GLN A 39 -5.008 -10.603 -1.347 1.00 0.00 C ATOM 561 CG GLN A 39 -4.627 -12.019 -1.743 1.00 0.00 C ATOM 562 CD GLN A 39 -5.419 -13.068 -0.979 1.00 0.00 C ATOM 563 OE1 GLN A 39 -5.011 -13.524 0.103 1.00 0.00 O ATOM 564 NE2 GLN A 39 -6.553 -13.463 -1.530 1.00 0.00 N ATOM 0 H GLN A 39 -2.528 -9.385 -0.953 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.478 -9.593 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.825 -10.478 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.079 -10.473 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.792 -12.151 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.562 -12.169 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.854 -13.065 -2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.128 -14.166 -1.066 1.00 0.00 H new ATOM 573 N PRO A 40 -5.984 -7.777 -1.792 1.00 0.00 N ATOM 574 CA PRO A 40 -6.586 -6.666 -1.061 1.00 0.00 C ATOM 575 C PRO A 40 -6.916 -7.091 0.370 1.00 0.00 C ATOM 576 O PRO A 40 -7.656 -6.413 1.081 1.00 0.00 O ATOM 577 CB PRO A 40 -7.861 -6.366 -1.850 1.00 0.00 C ATOM 578 CG PRO A 40 -8.220 -7.660 -2.495 1.00 0.00 C ATOM 579 CD PRO A 40 -6.920 -8.373 -2.766 1.00 0.00 C ATOM 0 HA PRO A 40 -5.931 -5.799 -0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.659 -6.015 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.693 -5.586 -2.593 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.861 -8.254 -1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.772 -7.493 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.016 -9.449 -2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.584 -8.217 -3.791 1.00 0.00 H new ATOM 587 N LEU A 41 -6.339 -8.235 0.761 1.00 0.00 N ATOM 588 CA LEU A 41 -6.562 -8.857 2.061 1.00 0.00 C ATOM 589 C LEU A 41 -8.036 -9.174 2.262 1.00 0.00 C ATOM 590 O LEU A 41 -8.512 -10.252 1.905 1.00 0.00 O ATOM 591 CB LEU A 41 -6.030 -7.969 3.198 1.00 0.00 C ATOM 592 CG LEU A 41 -4.554 -8.184 3.569 1.00 0.00 C ATOM 593 CD1 LEU A 41 -3.639 -7.937 2.382 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.156 -7.287 4.730 1.00 0.00 C ATOM 0 H LEU A 41 -5.694 -8.758 0.169 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.008 -9.795 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.167 -6.925 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.639 -8.141 4.086 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.442 -9.225 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.603 -8.098 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.895 -8.625 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.761 -6.911 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.108 -7.455 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.300 -6.244 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.774 -7.519 5.597 1.00 0.00 H new ATOM 606 N GLN A 42 -8.737 -8.215 2.817 1.00 0.00 N ATOM 607 CA GLN A 42 -10.166 -8.277 3.005 1.00 0.00 C ATOM 608 C GLN A 42 -10.647 -6.855 3.187 1.00 0.00 C ATOM 609 O GLN A 42 -10.316 -6.203 4.179 1.00 0.00 O ATOM 610 CB GLN A 42 -10.525 -9.149 4.212 1.00 0.00 C ATOM 611 CG GLN A 42 -12.004 -9.157 4.577 1.00 0.00 C ATOM 612 CD GLN A 42 -12.907 -9.622 3.449 1.00 0.00 C ATOM 613 OE1 GLN A 42 -13.142 -10.819 3.277 1.00 0.00 O ATOM 614 NE2 GLN A 42 -13.453 -8.676 2.698 1.00 0.00 N ATOM 0 H GLN A 42 -8.319 -7.349 3.159 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.651 -8.736 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.210 -10.173 4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.954 -8.804 5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.153 -9.805 5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.301 -8.152 4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.233 -7.696 2.873 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.094 -8.929 1.945 1.00 0.00 H new ATOM 623 N VAL A 43 -11.368 -6.363 2.200 1.00 0.00 N ATOM 624 CA VAL A 43 -11.773 -4.973 2.181 1.00 0.00 C ATOM 625 C VAL A 43 -12.811 -4.712 3.257 1.00 0.00 C ATOM 626 O VAL A 43 -13.930 -5.221 3.191 1.00 0.00 O ATOM 627 CB VAL A 43 -12.338 -4.557 0.809 1.00 0.00 C ATOM 628 CG1 VAL A 43 -12.620 -3.064 0.778 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.388 -4.954 -0.314 1.00 0.00 C ATOM 0 H VAL A 43 -11.686 -6.908 1.398 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.883 -4.375 2.375 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.279 -5.085 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.018 -2.789 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.348 -2.815 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.696 -2.515 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.810 -4.649 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.426 -4.462 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.248 -6.035 -0.307 1.00 0.00 H new ATOM 639 N LEU A 44 -12.423 -3.944 4.256 1.00 0.00 N ATOM 640 CA LEU A 44 -13.314 -3.594 5.343 1.00 0.00 C ATOM 641 C LEU A 44 -13.773 -2.156 5.175 1.00 0.00 C ATOM 642 O LEU A 44 -13.052 -1.214 5.512 1.00 0.00 O ATOM 643 CB LEU A 44 -12.606 -3.774 6.688 1.00 0.00 C ATOM 644 CG LEU A 44 -11.941 -5.137 6.892 1.00 0.00 C ATOM 645 CD1 LEU A 44 -11.229 -5.185 8.233 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.961 -6.261 6.791 1.00 0.00 C ATOM 0 H LEU A 44 -11.487 -3.547 4.337 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.183 -4.252 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.847 -2.998 6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.331 -3.617 7.487 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.204 -5.276 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.762 -6.161 8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.464 -4.409 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.950 -5.019 9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.463 -7.219 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.726 -6.128 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.426 -6.243 5.805 1.00 0.00 H new ATOM 658 N LYS A 45 -14.958 -1.990 4.615 1.00 0.00 N ATOM 659 CA LYS A 45 -15.494 -0.670 4.359 1.00 0.00 C ATOM 660 C LYS A 45 -16.283 -0.186 5.568 1.00 0.00 C ATOM 661 O LYS A 45 -17.467 -0.486 5.708 1.00 0.00 O ATOM 662 CB LYS A 45 -16.390 -0.693 3.114 1.00 0.00 C ATOM 663 CG LYS A 45 -15.744 -1.370 1.911 1.00 0.00 C ATOM 664 CD LYS A 45 -16.691 -1.440 0.724 1.00 0.00 C ATOM 665 CE LYS A 45 -16.847 -0.089 0.045 1.00 0.00 C ATOM 666 NZ LYS A 45 -15.583 0.353 -0.605 1.00 0.00 N ATOM 0 H LYS A 45 -15.567 -2.757 4.329 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.668 0.018 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.320 -1.209 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.653 0.330 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.845 -0.824 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.431 -2.377 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.317 -2.168 0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.666 -1.794 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.639 -0.147 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.156 0.654 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.794 1.087 -1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.939 0.739 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.132 -0.458 -1.074 1.00 0.00 H new ATOM 680 N ALA A 46 -15.609 0.532 6.452 1.00 0.00 N ATOM 681 CA ALA A 46 -16.241 1.051 7.649 1.00 0.00 C ATOM 682 C ALA A 46 -16.657 2.498 7.433 1.00 0.00 C ATOM 683 O ALA A 46 -16.292 3.114 6.430 1.00 0.00 O ATOM 684 CB ALA A 46 -15.299 0.934 8.839 1.00 0.00 C ATOM 0 H ALA A 46 -14.621 0.768 6.360 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.133 0.461 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.788 1.328 9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.043 -0.113 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.391 1.504 8.642 1.00 0.00 H new ATOM 690 N CYS A 47 -17.409 3.045 8.369 1.00 0.00 N ATOM 691 CA CYS A 47 -17.882 4.409 8.241 1.00 0.00 C ATOM 692 C CYS A 47 -16.823 5.373 8.760 1.00 0.00 C ATOM 693 O CYS A 47 -16.739 5.635 9.961 1.00 0.00 O ATOM 694 CB CYS A 47 -19.202 4.595 8.992 1.00 0.00 C ATOM 695 SG CYS A 47 -20.008 6.185 8.693 1.00 0.00 S ATOM 0 H CYS A 47 -17.704 2.569 9.221 1.00 0.00 H new ATOM 0 HA CYS A 47 -18.064 4.623 7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.885 3.795 8.707 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.017 4.490 10.061 1.00 0.00 H new ATOM 0 HG CYS A 47 -21.116 6.244 9.370 1.00 0.00 H new ATOM 701 N GLY A 48 -15.990 5.862 7.852 1.00 0.00 N ATOM 702 CA GLY A 48 -14.948 6.796 8.228 1.00 0.00 C ATOM 703 C GLY A 48 -13.589 6.372 7.717 1.00 0.00 C ATOM 704 O GLY A 48 -12.715 7.211 7.489 1.00 0.00 O ATOM 0 H GLY A 48 -16.017 5.628 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.189 7.784 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.915 6.883 9.314 1.00 0.00 H new ATOM 708 N ALA A 49 -13.407 5.070 7.524 1.00 0.00 N ATOM 709 CA ALA A 49 -12.131 4.543 7.065 1.00 0.00 C ATOM 710 C ALA A 49 -12.319 3.218 6.343 1.00 0.00 C ATOM 711 O ALA A 49 -13.245 2.463 6.638 1.00 0.00 O ATOM 712 CB ALA A 49 -11.173 4.374 8.236 1.00 0.00 C ATOM 0 H ALA A 49 -14.126 4.363 7.678 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.703 5.258 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.223 3.979 7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.007 5.340 8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.602 3.682 8.960 1.00 0.00 H new ATOM 718 N VAL A 50 -11.443 2.948 5.388 1.00 0.00 N ATOM 719 CA VAL A 50 -11.460 1.686 4.667 1.00 0.00 C ATOM 720 C VAL A 50 -10.133 0.954 4.853 1.00 0.00 C ATOM 721 O VAL A 50 -9.080 1.420 4.413 1.00 0.00 O ATOM 722 CB VAL A 50 -11.759 1.877 3.160 1.00 0.00 C ATOM 723 CG1 VAL A 50 -13.225 2.228 2.949 1.00 0.00 C ATOM 724 CG2 VAL A 50 -10.866 2.954 2.552 1.00 0.00 C ATOM 0 H VAL A 50 -10.708 3.590 5.093 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.268 1.085 5.084 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.545 0.935 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.418 2.359 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.851 1.424 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.457 3.153 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.099 3.065 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.039 3.901 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.821 2.666 2.665 1.00 0.00 H new ATOM 734 N ASP A 51 -10.184 -0.178 5.533 1.00 0.00 N ATOM 735 CA ASP A 51 -8.980 -0.943 5.835 1.00 0.00 C ATOM 736 C ASP A 51 -8.940 -2.237 5.036 1.00 0.00 C ATOM 737 O ASP A 51 -9.977 -2.798 4.679 1.00 0.00 O ATOM 738 CB ASP A 51 -8.895 -1.266 7.335 1.00 0.00 C ATOM 739 CG ASP A 51 -8.304 -0.137 8.165 1.00 0.00 C ATOM 740 OD1 ASP A 51 -8.950 0.925 8.286 1.00 0.00 O ATOM 741 OD2 ASP A 51 -7.198 -0.320 8.729 1.00 0.00 O ATOM 0 H ASP A 51 -11.046 -0.591 5.888 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.125 -0.327 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.894 -1.495 7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.290 -2.162 7.472 1.00 0.00 H new ATOM 746 N TYR A 52 -7.737 -2.693 4.742 1.00 0.00 N ATOM 747 CA TYR A 52 -7.537 -3.992 4.126 1.00 0.00 C ATOM 748 C TYR A 52 -6.927 -4.912 5.165 1.00 0.00 C ATOM 749 O TYR A 52 -5.809 -4.684 5.623 1.00 0.00 O ATOM 750 CB TYR A 52 -6.631 -3.877 2.899 1.00 0.00 C ATOM 751 CG TYR A 52 -7.176 -2.949 1.837 1.00 0.00 C ATOM 752 CD1 TYR A 52 -8.215 -3.348 1.008 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.657 -1.672 1.670 1.00 0.00 C ATOM 754 CE1 TYR A 52 -8.721 -2.505 0.040 1.00 0.00 C ATOM 755 CE2 TYR A 52 -7.158 -0.821 0.705 1.00 0.00 C ATOM 756 CZ TYR A 52 -8.190 -1.242 -0.108 1.00 0.00 C ATOM 757 OH TYR A 52 -8.693 -0.398 -1.072 1.00 0.00 O ATOM 0 H TYR A 52 -6.875 -2.177 4.922 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.490 -4.396 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.650 -3.522 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.488 -4.868 2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.635 -4.336 1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.849 -1.339 2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.528 -2.833 -0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.744 0.169 0.587 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.210 0.454 -1.045 1.00 0.00 H new ATOM 767 N PHE A 53 -7.675 -5.925 5.560 1.00 0.00 N ATOM 768 CA PHE A 53 -7.316 -6.710 6.731 1.00 0.00 C ATOM 769 C PHE A 53 -7.875 -8.127 6.630 1.00 0.00 C ATOM 770 O PHE A 53 -9.087 -8.321 6.712 1.00 0.00 O ATOM 771 CB PHE A 53 -7.895 -5.988 7.944 1.00 0.00 C ATOM 772 CG PHE A 53 -7.181 -6.214 9.237 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.898 -5.731 9.424 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.806 -6.875 10.278 1.00 0.00 C ATOM 775 CE1 PHE A 53 -5.252 -5.899 10.630 1.00 0.00 C ATOM 776 CE2 PHE A 53 -7.164 -7.051 11.484 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.884 -6.565 11.661 1.00 0.00 C ATOM 0 H PHE A 53 -8.530 -6.224 5.092 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.233 -6.802 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.902 -4.918 7.737 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.933 -6.296 8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.398 -5.217 8.617 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.807 -7.257 10.144 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.254 -5.511 10.768 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.662 -7.569 12.291 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.378 -6.706 12.605 1.00 0.00 H new ATOM 787 N CYS A 54 -6.995 -9.113 6.445 1.00 0.00 N ATOM 788 CA CYS A 54 -7.412 -10.506 6.359 1.00 0.00 C ATOM 789 C CYS A 54 -7.867 -10.988 7.732 1.00 0.00 C ATOM 790 O CYS A 54 -7.065 -11.511 8.496 1.00 0.00 O ATOM 791 CB CYS A 54 -6.251 -11.397 5.890 1.00 0.00 C ATOM 792 SG CYS A 54 -5.747 -11.240 4.151 1.00 0.00 S ATOM 0 H CYS A 54 -5.990 -8.968 6.352 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.229 -10.572 5.640 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.384 -11.183 6.515 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.526 -12.436 6.071 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.760 -12.051 3.910 1.00 0.00 H new ATOM 797 N GLN A 55 -9.143 -10.814 8.045 1.00 0.00 N ATOM 798 CA GLN A 55 -9.655 -11.192 9.358 1.00 0.00 C ATOM 799 C GLN A 55 -9.624 -12.700 9.554 1.00 0.00 C ATOM 800 O GLN A 55 -8.832 -13.216 10.342 1.00 0.00 O ATOM 801 CB GLN A 55 -11.078 -10.673 9.565 1.00 0.00 C ATOM 802 CG GLN A 55 -11.149 -9.185 9.857 1.00 0.00 C ATOM 803 CD GLN A 55 -12.556 -8.722 10.178 1.00 0.00 C ATOM 804 OE1 GLN A 55 -12.843 -7.463 9.899 1.00 0.00 O flip ATOM 805 NE2 GLN A 55 -13.376 -9.487 10.687 1.00 0.00 N flip ATOM 0 H GLN A 55 -9.840 -10.417 7.415 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.002 -10.733 10.100 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.667 -10.888 8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.538 -11.218 10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.493 -8.951 10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.775 -8.631 8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.116 -10.453 10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.315 -9.155 10.908 1.00 0.00 H new ATOM 814 N ASN A 56 -10.478 -13.404 8.830 1.00 0.00 N ATOM 815 CA ASN A 56 -10.610 -14.843 9.004 1.00 0.00 C ATOM 816 C ASN A 56 -9.931 -15.595 7.863 1.00 0.00 C ATOM 817 O ASN A 56 -9.432 -16.703 8.053 1.00 0.00 O ATOM 818 CB ASN A 56 -12.091 -15.225 9.092 1.00 0.00 C ATOM 819 CG ASN A 56 -12.301 -16.674 9.497 1.00 0.00 C ATOM 820 OD1 ASN A 56 -12.349 -16.997 10.683 1.00 0.00 O ATOM 821 ND2 ASN A 56 -12.445 -17.550 8.521 1.00 0.00 N ATOM 0 H ASN A 56 -11.089 -13.005 8.118 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.115 -15.126 9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.587 -14.575 9.813 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.565 -15.050 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.602 -18.534 8.738 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.399 -17.243 7.549 1.00 0.00 H new ATOM 828 N GLY A 57 -9.884 -14.974 6.687 1.00 0.00 N ATOM 829 CA GLY A 57 -9.308 -15.621 5.516 1.00 0.00 C ATOM 830 C GLY A 57 -7.790 -15.533 5.468 1.00 0.00 C ATOM 831 O GLY A 57 -7.204 -15.412 4.386 1.00 0.00 O ATOM 0 H GLY A 57 -10.235 -14.031 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.605 -16.670 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.721 -15.164 4.617 1.00 0.00 H new ATOM 835 N HIS A 58 -7.168 -15.596 6.644 1.00 0.00 N ATOM 836 CA HIS A 58 -5.713 -15.534 6.793 1.00 0.00 C ATOM 837 C HIS A 58 -5.372 -15.382 8.268 1.00 0.00 C ATOM 838 O HIS A 58 -4.770 -16.264 8.881 1.00 0.00 O ATOM 839 CB HIS A 58 -5.124 -14.351 6.011 1.00 0.00 C ATOM 840 CG HIS A 58 -3.623 -14.240 6.027 1.00 0.00 C ATOM 841 ND1 HIS A 58 -2.889 -13.943 4.899 1.00 0.00 N ATOM 842 CD2 HIS A 58 -2.723 -14.341 7.037 1.00 0.00 C ATOM 843 CE1 HIS A 58 -1.608 -13.868 5.216 1.00 0.00 C ATOM 844 NE2 HIS A 58 -1.484 -14.105 6.506 1.00 0.00 N ATOM 0 H HIS A 58 -7.664 -15.693 7.530 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.284 -16.454 6.395 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.453 -14.424 4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -5.542 -13.429 6.414 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.274 -13.803 3.965 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.944 -14.566 8.070 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.800 -13.650 4.533 1.00 0.00 H new ATOM 852 N GLY A 59 -5.745 -14.241 8.823 1.00 0.00 N ATOM 853 CA GLY A 59 -5.461 -13.956 10.209 1.00 0.00 C ATOM 854 C GLY A 59 -5.109 -12.507 10.375 1.00 0.00 C ATOM 855 O GLY A 59 -4.331 -11.971 9.586 1.00 0.00 O ATOM 0 H GLY A 59 -6.245 -13.501 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.327 -14.201 10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.638 -14.580 10.556 1.00 0.00 H new ATOM 859 N LEU A 60 -5.703 -11.866 11.367 1.00 0.00 N ATOM 860 CA LEU A 60 -5.513 -10.439 11.580 1.00 0.00 C ATOM 861 C LEU A 60 -4.044 -10.114 11.854 1.00 0.00 C ATOM 862 O LEU A 60 -3.549 -10.262 12.972 1.00 0.00 O ATOM 863 CB LEU A 60 -6.414 -9.924 12.717 1.00 0.00 C ATOM 864 CG LEU A 60 -6.218 -10.549 14.106 1.00 0.00 C ATOM 865 CD1 LEU A 60 -6.853 -9.663 15.163 1.00 0.00 C ATOM 866 CD2 LEU A 60 -6.824 -11.946 14.175 1.00 0.00 C ATOM 0 H LEU A 60 -6.324 -12.313 12.041 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.804 -9.924 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.263 -8.848 12.806 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.452 -10.077 12.421 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.147 -10.633 14.291 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.711 -10.111 16.146 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.385 -8.679 15.142 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.919 -9.562 14.961 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.669 -12.361 15.171 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.893 -11.890 13.968 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.345 -12.587 13.436 1.00 0.00 H new ATOM 878 N ILE A 61 -3.351 -9.706 10.802 1.00 0.00 N ATOM 879 CA ILE A 61 -1.955 -9.319 10.899 1.00 0.00 C ATOM 880 C ILE A 61 -1.857 -7.934 11.516 1.00 0.00 C ATOM 881 O ILE A 61 -2.584 -7.028 11.117 1.00 0.00 O ATOM 882 CB ILE A 61 -1.274 -9.288 9.506 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.513 -10.598 8.744 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.221 -9.019 9.638 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.935 -11.820 9.424 1.00 0.00 C ATOM 0 H ILE A 61 -3.740 -9.635 9.862 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.447 -10.057 11.519 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.724 -8.475 8.937 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.586 -10.740 8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.080 -10.511 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.676 -9.002 8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.376 -8.056 10.125 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.681 -9.806 10.235 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.146 -12.705 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.143 -11.702 9.529 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.385 -11.935 10.410 1.00 0.00 H new ATOM 897 N SER A 62 -0.990 -7.776 12.502 1.00 0.00 N ATOM 898 CA SER A 62 -0.739 -6.467 13.076 1.00 0.00 C ATOM 899 C SER A 62 -0.279 -5.519 11.972 1.00 0.00 C ATOM 900 O SER A 62 0.655 -5.838 11.234 1.00 0.00 O ATOM 901 CB SER A 62 0.327 -6.580 14.167 1.00 0.00 C ATOM 902 OG SER A 62 0.043 -7.662 15.038 1.00 0.00 O ATOM 0 H SER A 62 -0.451 -8.535 12.919 1.00 0.00 H new ATOM 0 HA SER A 62 -1.652 -6.075 13.525 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.307 -6.722 13.711 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.372 -5.651 14.736 1.00 0.00 H new ATOM 0 HG SER A 62 0.737 -7.718 15.727 1.00 0.00 H new ATOM 908 N LYS A 63 -0.931 -4.364 11.845 1.00 0.00 N ATOM 909 CA LYS A 63 -0.624 -3.435 10.757 1.00 0.00 C ATOM 910 C LYS A 63 0.801 -2.901 10.878 1.00 0.00 C ATOM 911 O LYS A 63 1.354 -2.363 9.923 1.00 0.00 O ATOM 912 CB LYS A 63 -1.644 -2.293 10.685 1.00 0.00 C ATOM 913 CG LYS A 63 -3.010 -2.750 10.196 1.00 0.00 C ATOM 914 CD LYS A 63 -3.862 -1.591 9.696 1.00 0.00 C ATOM 915 CE LYS A 63 -4.329 -0.688 10.826 1.00 0.00 C ATOM 916 NZ LYS A 63 -5.162 0.437 10.320 1.00 0.00 N ATOM 0 H LYS A 63 -1.669 -4.051 12.476 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.694 -3.990 9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.749 -1.843 11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.266 -1.517 10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.882 -3.477 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.532 -3.259 11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.288 -1.004 8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.730 -1.983 9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.903 -1.272 11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.464 -0.291 11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.588 0.942 11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.566 1.092 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.915 0.063 9.708 1.00 0.00 H new ATOM 930 N LYS A 64 1.385 -3.077 12.055 1.00 0.00 N ATOM 931 CA LYS A 64 2.802 -2.820 12.271 1.00 0.00 C ATOM 932 C LYS A 64 3.659 -3.678 11.331 1.00 0.00 C ATOM 933 O LYS A 64 4.743 -3.271 10.906 1.00 0.00 O ATOM 934 CB LYS A 64 3.148 -3.131 13.731 1.00 0.00 C ATOM 935 CG LYS A 64 4.609 -2.932 14.092 1.00 0.00 C ATOM 936 CD LYS A 64 4.889 -3.412 15.506 1.00 0.00 C ATOM 937 CE LYS A 64 6.353 -3.253 15.876 1.00 0.00 C ATOM 938 NZ LYS A 64 6.651 -3.833 17.212 1.00 0.00 N ATOM 0 H LYS A 64 0.891 -3.402 12.886 1.00 0.00 H new ATOM 0 HA LYS A 64 3.013 -1.772 12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.539 -2.499 14.377 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.873 -4.164 13.944 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.239 -3.476 13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.869 -1.877 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.273 -2.851 16.209 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.603 -4.460 15.598 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.973 -3.739 15.122 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.616 -2.195 15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.660 -3.705 17.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.078 -3.353 17.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.424 -4.848 17.208 1.00 0.00 H new ATOM 952 N ARG A 65 3.157 -4.864 10.999 1.00 0.00 N ATOM 953 CA ARG A 65 3.889 -5.805 10.159 1.00 0.00 C ATOM 954 C ARG A 65 3.279 -5.901 8.763 1.00 0.00 C ATOM 955 O ARG A 65 3.763 -6.656 7.919 1.00 0.00 O ATOM 956 CB ARG A 65 3.903 -7.193 10.795 1.00 0.00 C ATOM 957 CG ARG A 65 4.627 -7.259 12.129 1.00 0.00 C ATOM 958 CD ARG A 65 4.769 -8.696 12.594 1.00 0.00 C ATOM 959 NE ARG A 65 5.502 -9.507 11.622 1.00 0.00 N ATOM 960 CZ ARG A 65 5.203 -10.774 11.326 1.00 0.00 C ATOM 961 NH1 ARG A 65 4.154 -11.361 11.891 1.00 0.00 N ATOM 962 NH2 ARG A 65 5.940 -11.440 10.442 1.00 0.00 N ATOM 0 H ARG A 65 2.241 -5.197 11.301 1.00 0.00 H new ATOM 0 HA ARG A 65 4.909 -5.431 10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.875 -7.527 10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.373 -7.892 10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.613 -6.803 12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.079 -6.683 12.875 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.287 -8.719 13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.781 -9.126 12.756 1.00 0.00 H new ATOM 0 HE ARG A 65 6.292 -9.077 11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.575 -10.844 12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.927 -12.329 11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.733 -10.983 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.713 -12.408 10.215 1.00 0.00 H new ATOM 976 N VAL A 66 2.221 -5.144 8.522 1.00 0.00 N ATOM 977 CA VAL A 66 1.566 -5.149 7.221 1.00 0.00 C ATOM 978 C VAL A 66 2.354 -4.295 6.234 1.00 0.00 C ATOM 979 O VAL A 66 2.890 -3.247 6.595 1.00 0.00 O ATOM 980 CB VAL A 66 0.105 -4.646 7.320 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.515 -4.470 5.943 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.730 -5.614 8.144 1.00 0.00 C ATOM 0 H VAL A 66 1.797 -4.519 9.208 1.00 0.00 H new ATOM 0 HA VAL A 66 1.539 -6.178 6.862 1.00 0.00 H new ATOM 0 HB VAL A 66 0.120 -3.674 7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.541 -4.116 6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.063 -3.742 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.513 -5.425 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.755 -5.249 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.723 -6.596 7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.312 -5.692 9.147 1.00 0.00 H new ATOM 992 N ASN A 67 2.439 -4.754 4.995 1.00 0.00 N ATOM 993 CA ASN A 67 3.210 -4.056 3.980 1.00 0.00 C ATOM 994 C ASN A 67 2.402 -2.932 3.360 1.00 0.00 C ATOM 995 O ASN A 67 1.643 -3.149 2.415 1.00 0.00 O ATOM 996 CB ASN A 67 3.680 -5.017 2.885 1.00 0.00 C ATOM 997 CG ASN A 67 4.774 -5.950 3.358 1.00 0.00 C ATOM 998 OD1 ASN A 67 4.504 -7.036 3.866 1.00 0.00 O ATOM 999 ND2 ASN A 67 6.019 -5.534 3.187 1.00 0.00 N ATOM 0 H ASN A 67 1.984 -5.606 4.669 1.00 0.00 H new ATOM 0 HA ASN A 67 4.085 -3.631 4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.832 -5.606 2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.042 -4.442 2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.798 -6.123 3.481 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.199 -4.625 2.761 1.00 0.00 H new ATOM 1006 N PHE A 68 2.534 -1.740 3.918 1.00 0.00 N ATOM 1007 CA PHE A 68 1.950 -0.555 3.317 1.00 0.00 C ATOM 1008 C PHE A 68 2.857 -0.058 2.203 1.00 0.00 C ATOM 1009 O PHE A 68 3.852 0.621 2.455 1.00 0.00 O ATOM 1010 CB PHE A 68 1.729 0.544 4.358 1.00 0.00 C ATOM 1011 CG PHE A 68 0.668 0.214 5.368 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -0.656 0.535 5.125 1.00 0.00 C ATOM 1013 CD2 PHE A 68 0.995 -0.412 6.561 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -1.636 0.237 6.052 1.00 0.00 C ATOM 1015 CE2 PHE A 68 0.020 -0.711 7.491 1.00 0.00 C ATOM 1016 CZ PHE A 68 -1.297 -0.386 7.237 1.00 0.00 C ATOM 0 H PHE A 68 3.041 -1.568 4.786 1.00 0.00 H new ATOM 0 HA PHE A 68 0.975 -0.816 2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.668 0.733 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.457 1.467 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.926 1.024 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.024 -0.669 6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.666 0.491 5.850 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.287 -1.199 8.417 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.061 -0.618 7.964 1.00 0.00 H new ATOM 1026 N VAL A 69 2.528 -0.432 0.977 1.00 0.00 N ATOM 1027 CA VAL A 69 3.363 -0.112 -0.172 1.00 0.00 C ATOM 1028 C VAL A 69 2.536 0.500 -1.292 1.00 0.00 C ATOM 1029 O VAL A 69 1.311 0.409 -1.287 1.00 0.00 O ATOM 1030 CB VAL A 69 4.088 -1.367 -0.711 1.00 0.00 C ATOM 1031 CG1 VAL A 69 5.072 -1.909 0.315 1.00 0.00 C ATOM 1032 CG2 VAL A 69 3.080 -2.440 -1.110 1.00 0.00 C ATOM 0 H VAL A 69 1.685 -0.960 0.750 1.00 0.00 H new ATOM 0 HA VAL A 69 4.107 0.609 0.167 1.00 0.00 H new ATOM 0 HB VAL A 69 4.651 -1.078 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.569 -2.791 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.816 -1.146 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.537 -2.178 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.610 -3.315 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.486 -2.722 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.423 -2.051 -1.888 1.00 0.00 H new ATOM 1042 N ILE A 70 3.212 1.125 -2.242 1.00 0.00 N ATOM 1043 CA ILE A 70 2.550 1.680 -3.413 1.00 0.00 C ATOM 1044 C ILE A 70 1.990 0.545 -4.267 1.00 0.00 C ATOM 1045 O ILE A 70 2.707 -0.401 -4.596 1.00 0.00 O ATOM 1046 CB ILE A 70 3.536 2.519 -4.254 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.193 3.595 -3.386 1.00 0.00 C ATOM 1048 CG2 ILE A 70 2.821 3.151 -5.441 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.323 4.326 -4.077 1.00 0.00 C ATOM 0 H ILE A 70 4.223 1.261 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 70 1.740 2.328 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 70 4.315 1.859 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.435 4.318 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.574 3.132 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.531 3.739 -6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.397 2.368 -6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.022 3.799 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.740 5.073 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.100 3.614 -4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.944 4.818 -4.973 1.00 0.00 H new ATOM 1061 N SER A 71 0.715 0.628 -4.611 1.00 0.00 N ATOM 1062 CA SER A 71 0.070 -0.434 -5.367 1.00 0.00 C ATOM 1063 C SER A 71 0.262 -0.236 -6.869 1.00 0.00 C ATOM 1064 O SER A 71 -0.523 0.453 -7.524 1.00 0.00 O ATOM 1065 CB SER A 71 -1.421 -0.508 -5.023 1.00 0.00 C ATOM 1066 OG SER A 71 -2.065 -1.554 -5.734 1.00 0.00 O ATOM 0 H SER A 71 0.109 1.415 -4.380 1.00 0.00 H new ATOM 0 HA SER A 71 0.540 -1.377 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.541 -0.667 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.898 0.443 -5.260 1.00 0.00 H new ATOM 0 HG SER A 71 -3.015 -1.577 -5.493 1.00 0.00 H new