USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 51 HIS HD1 : A 51 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 44 MET CE :methyl -127:sc= -4.21! (180deg=-5.49!) USER MOD Set 1.2: A 53 THR OG1 : rot 40:sc= -0.383 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 11:sc= 0.263 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 161:sc= 0.0209 USER MOD Single : A 28 MET CE :methyl -114:sc= 0 (180deg=-0.605) USER MOD Single : A 33 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.16) USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.13 USER MOD Single : A 36 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.036 K(o=-0.036,f=-0.91) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc=-0.00219 X(o=-0.0022,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= -0.233 (180deg=-1.45!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 67 SER OG : rot 78:sc= 0.98 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.597 38.237 -8.241 1.00 0.00 N ATOM 2 CA GLY A 1 13.038 38.332 -6.905 1.00 0.00 C ATOM 3 C GLY A 1 11.605 38.826 -6.910 1.00 0.00 C ATOM 4 O GLY A 1 11.302 39.877 -6.344 1.00 0.00 O ATOM 0 H1 GLY A 1 14.577 37.895 -8.184 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.031 37.573 -8.808 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.583 39.175 -8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.080 37.354 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.650 39.007 -6.306 1.00 0.00 H new ATOM 8 N SER A 2 10.722 38.069 -7.552 1.00 0.00 N ATOM 9 CA SER A 2 9.314 38.438 -7.633 1.00 0.00 C ATOM 10 C SER A 2 8.499 37.709 -6.569 1.00 0.00 C ATOM 11 O SER A 2 7.678 38.313 -5.878 1.00 0.00 O ATOM 12 CB SER A 2 8.760 38.120 -9.023 1.00 0.00 C ATOM 13 OG SER A 2 8.997 39.188 -9.924 1.00 0.00 O ATOM 0 H SER A 2 10.957 37.196 -8.024 1.00 0.00 H new ATOM 0 HA SER A 2 9.235 39.510 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.224 37.210 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.689 37.928 -8.956 1.00 0.00 H new ATOM 0 HG SER A 2 8.635 38.959 -10.805 1.00 0.00 H new ATOM 19 N SER A 3 8.731 36.406 -6.445 1.00 0.00 N ATOM 20 CA SER A 3 8.016 35.592 -5.468 1.00 0.00 C ATOM 21 C SER A 3 8.288 36.083 -4.049 1.00 0.00 C ATOM 22 O SER A 3 9.426 36.382 -3.691 1.00 0.00 O ATOM 23 CB SER A 3 8.425 34.124 -5.600 1.00 0.00 C ATOM 24 OG SER A 3 7.486 33.274 -4.963 1.00 0.00 O ATOM 0 H SER A 3 9.408 35.891 -7.008 1.00 0.00 H new ATOM 0 HA SER A 3 6.948 35.683 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.504 33.859 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.411 33.977 -5.159 1.00 0.00 H new ATOM 0 HG SER A 3 7.769 32.341 -5.063 1.00 0.00 H new ATOM 30 N GLY A 4 7.232 36.162 -3.245 1.00 0.00 N ATOM 31 CA GLY A 4 7.377 36.617 -1.874 1.00 0.00 C ATOM 32 C GLY A 4 6.925 35.577 -0.868 1.00 0.00 C ATOM 33 O GLY A 4 5.945 34.867 -1.096 1.00 0.00 O ATOM 0 H GLY A 4 6.280 35.919 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.421 36.870 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.798 37.530 -1.734 1.00 0.00 H new ATOM 37 N SER A 5 7.641 35.485 0.248 1.00 0.00 N ATOM 38 CA SER A 5 7.312 34.520 1.290 1.00 0.00 C ATOM 39 C SER A 5 7.711 35.048 2.665 1.00 0.00 C ATOM 40 O SER A 5 8.351 36.093 2.779 1.00 0.00 O ATOM 41 CB SER A 5 8.012 33.187 1.020 1.00 0.00 C ATOM 42 OG SER A 5 7.348 32.460 0.001 1.00 0.00 O ATOM 0 H SER A 5 8.453 36.067 0.454 1.00 0.00 H new ATOM 0 HA SER A 5 6.233 34.364 1.279 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.046 33.368 0.727 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.039 32.595 1.935 1.00 0.00 H new ATOM 0 HG SER A 5 6.684 33.036 -0.432 1.00 0.00 H new ATOM 48 N SER A 6 7.328 34.317 3.707 1.00 0.00 N ATOM 49 CA SER A 6 7.642 34.712 5.075 1.00 0.00 C ATOM 50 C SER A 6 8.250 33.548 5.851 1.00 0.00 C ATOM 51 O SER A 6 7.778 32.415 5.764 1.00 0.00 O ATOM 52 CB SER A 6 6.382 35.211 5.786 1.00 0.00 C ATOM 53 OG SER A 6 6.702 36.179 6.771 1.00 0.00 O ATOM 0 H SER A 6 6.800 33.448 3.630 1.00 0.00 H new ATOM 0 HA SER A 6 8.373 35.520 5.035 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.696 35.642 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.866 34.371 6.251 1.00 0.00 H new ATOM 0 HG SER A 6 5.880 36.483 7.210 1.00 0.00 H new ATOM 59 N GLY A 7 9.302 33.837 6.611 1.00 0.00 N ATOM 60 CA GLY A 7 9.959 32.805 7.391 1.00 0.00 C ATOM 61 C GLY A 7 10.492 31.677 6.530 1.00 0.00 C ATOM 62 O GLY A 7 10.009 31.455 5.420 1.00 0.00 O ATOM 0 H GLY A 7 9.711 34.767 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.781 33.247 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.255 32.401 8.119 1.00 0.00 H new ATOM 66 N GLN A 8 11.490 30.964 7.042 1.00 0.00 N ATOM 67 CA GLN A 8 12.090 29.855 6.310 1.00 0.00 C ATOM 68 C GLN A 8 11.472 28.526 6.732 1.00 0.00 C ATOM 69 O GLN A 8 11.059 28.359 7.880 1.00 0.00 O ATOM 70 CB GLN A 8 13.602 29.823 6.539 1.00 0.00 C ATOM 71 CG GLN A 8 14.346 28.921 5.568 1.00 0.00 C ATOM 72 CD GLN A 8 15.852 29.030 5.707 1.00 0.00 C ATOM 73 OE1 GLN A 8 16.553 29.352 4.747 1.00 0.00 O ATOM 74 NE2 GLN A 8 16.357 28.762 6.905 1.00 0.00 N ATOM 0 H GLN A 8 11.900 31.134 7.960 1.00 0.00 H new ATOM 0 HA GLN A 8 11.894 30.006 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.995 30.836 6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.800 29.488 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.044 27.887 5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.060 29.177 4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.738 28.499 7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.364 28.819 7.058 1.00 0.00 H new ATOM 83 N LEU A 9 11.410 27.585 5.797 1.00 0.00 N ATOM 84 CA LEU A 9 10.842 26.270 6.071 1.00 0.00 C ATOM 85 C LEU A 9 11.865 25.169 5.810 1.00 0.00 C ATOM 86 O LEU A 9 12.580 25.196 4.807 1.00 0.00 O ATOM 87 CB LEU A 9 9.598 26.040 5.211 1.00 0.00 C ATOM 88 CG LEU A 9 8.284 26.587 5.771 1.00 0.00 C ATOM 89 CD1 LEU A 9 8.164 28.077 5.493 1.00 0.00 C ATOM 90 CD2 LEU A 9 7.099 25.836 5.182 1.00 0.00 C ATOM 0 H LEU A 9 11.746 27.708 4.842 1.00 0.00 H new ATOM 0 HA LEU A 9 10.560 26.236 7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.768 26.490 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.484 24.968 5.052 1.00 0.00 H new ATOM 0 HG LEU A 9 8.282 26.438 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.223 28.448 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.995 28.603 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.188 28.249 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.173 26.239 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.097 25.952 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.177 24.778 5.433 1.00 0.00 H new ATOM 102 N LEU A 10 11.928 24.200 6.717 1.00 0.00 N ATOM 103 CA LEU A 10 12.862 23.087 6.584 1.00 0.00 C ATOM 104 C LEU A 10 12.717 22.415 5.223 1.00 0.00 C ATOM 105 O LEU A 10 11.682 21.823 4.920 1.00 0.00 O ATOM 106 CB LEU A 10 12.630 22.065 7.698 1.00 0.00 C ATOM 107 CG LEU A 10 13.846 21.236 8.112 1.00 0.00 C ATOM 108 CD1 LEU A 10 13.529 20.402 9.344 1.00 0.00 C ATOM 109 CD2 LEU A 10 14.299 20.344 6.965 1.00 0.00 C ATOM 0 H LEU A 10 11.344 24.163 7.552 1.00 0.00 H new ATOM 0 HA LEU A 10 13.874 23.482 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.259 22.593 8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.842 21.383 7.380 1.00 0.00 H new ATOM 0 HG LEU A 10 14.659 21.918 8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.406 19.819 9.624 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.253 21.060 10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.700 19.729 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 10 15.165 19.761 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.489 19.670 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.567 20.962 6.108 1.00 0.00 H new ATOM 121 N GLU A 11 13.763 22.509 4.408 1.00 0.00 N ATOM 122 CA GLU A 11 13.752 21.908 3.079 1.00 0.00 C ATOM 123 C GLU A 11 13.795 20.385 3.170 1.00 0.00 C ATOM 124 O GLU A 11 14.619 19.803 3.876 1.00 0.00 O ATOM 125 CB GLU A 11 14.938 22.414 2.256 1.00 0.00 C ATOM 126 CG GLU A 11 14.879 23.902 1.954 1.00 0.00 C ATOM 127 CD GLU A 11 15.389 24.751 3.102 1.00 0.00 C ATOM 128 OE1 GLU A 11 16.421 24.381 3.702 1.00 0.00 O ATOM 129 OE2 GLU A 11 14.756 25.785 3.401 1.00 0.00 O ATOM 0 H GLU A 11 14.628 22.995 4.644 1.00 0.00 H new ATOM 0 HA GLU A 11 12.825 22.199 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.861 22.197 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.979 21.863 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.469 24.112 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.850 24.183 1.729 1.00 0.00 H new ATOM 136 N PRO A 12 12.885 19.723 2.441 1.00 0.00 N ATOM 137 CA PRO A 12 12.797 18.260 2.422 1.00 0.00 C ATOM 138 C PRO A 12 13.981 17.617 1.707 1.00 0.00 C ATOM 139 O PRO A 12 14.812 18.309 1.118 1.00 0.00 O ATOM 140 CB PRO A 12 11.500 17.992 1.654 1.00 0.00 C ATOM 141 CG PRO A 12 11.312 19.195 0.796 1.00 0.00 C ATOM 142 CD PRO A 12 11.871 20.352 1.577 1.00 0.00 C ATOM 0 HA PRO A 12 12.808 17.838 3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.576 17.085 1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.659 17.855 2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.830 19.080 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.258 19.351 0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.312 21.103 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.099 20.852 2.162 1.00 0.00 H new ATOM 150 N ILE A 13 14.052 16.292 1.763 1.00 0.00 N ATOM 151 CA ILE A 13 15.134 15.557 1.120 1.00 0.00 C ATOM 152 C ILE A 13 14.743 15.125 -0.289 1.00 0.00 C ATOM 153 O ILE A 13 13.561 14.956 -0.593 1.00 0.00 O ATOM 154 CB ILE A 13 15.531 14.312 1.935 1.00 0.00 C ATOM 155 CG1 ILE A 13 16.135 14.727 3.278 1.00 0.00 C ATOM 156 CG2 ILE A 13 16.512 13.455 1.148 1.00 0.00 C ATOM 157 CD1 ILE A 13 17.440 15.481 3.147 1.00 0.00 C ATOM 0 H ILE A 13 13.373 15.705 2.247 1.00 0.00 H new ATOM 0 HA ILE A 13 15.987 16.233 1.067 1.00 0.00 H new ATOM 0 HB ILE A 13 14.636 13.721 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.418 15.349 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 13 16.299 13.836 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 13 16.783 12.579 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 13 16.049 13.136 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.408 14.036 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.810 15.743 4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 13 18.173 14.854 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 13 17.278 16.390 2.568 1.00 0.00 H new ATOM 169 N ARG A 14 15.743 14.946 -1.146 1.00 0.00 N ATOM 170 CA ARG A 14 15.504 14.532 -2.524 1.00 0.00 C ATOM 171 C ARG A 14 14.342 13.546 -2.601 1.00 0.00 C ATOM 172 O ARG A 14 13.270 13.873 -3.111 1.00 0.00 O ATOM 173 CB ARG A 14 16.765 13.899 -3.115 1.00 0.00 C ATOM 174 CG ARG A 14 17.778 14.915 -3.617 1.00 0.00 C ATOM 175 CD ARG A 14 17.301 15.593 -4.892 1.00 0.00 C ATOM 176 NE ARG A 14 17.731 14.875 -6.089 1.00 0.00 N ATOM 177 CZ ARG A 14 17.105 14.953 -7.258 1.00 0.00 C ATOM 178 NH1 ARG A 14 16.028 15.715 -7.387 1.00 0.00 N ATOM 179 NH2 ARG A 14 17.557 14.269 -8.301 1.00 0.00 N ATOM 0 H ARG A 14 16.726 15.081 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 14 15.245 15.418 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 14 17.236 13.272 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 14 16.481 13.244 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.953 15.667 -2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.731 14.420 -3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 14 16.213 15.660 -4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 14 17.683 16.613 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 14 18.558 14.281 -6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.678 16.243 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.549 15.773 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.386 13.682 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.075 14.330 -9.198 1.00 0.00 H new ATOM 193 N ASP A 15 14.563 12.338 -2.093 1.00 0.00 N ATOM 194 CA ASP A 15 13.535 11.304 -2.104 1.00 0.00 C ATOM 195 C ASP A 15 13.192 10.864 -0.685 1.00 0.00 C ATOM 196 O ASP A 15 13.803 9.942 -0.145 1.00 0.00 O ATOM 197 CB ASP A 15 14.001 10.101 -2.926 1.00 0.00 C ATOM 198 CG ASP A 15 14.590 10.506 -4.263 1.00 0.00 C ATOM 199 OD1 ASP A 15 13.957 11.320 -4.969 1.00 0.00 O ATOM 200 OD2 ASP A 15 15.684 10.010 -4.604 1.00 0.00 O ATOM 0 H ASP A 15 15.445 12.051 -1.669 1.00 0.00 H new ATOM 0 HA ASP A 15 12.639 11.722 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.746 9.543 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.158 9.430 -3.092 1.00 0.00 H new ATOM 205 N PHE A 16 12.211 11.530 -0.085 1.00 0.00 N ATOM 206 CA PHE A 16 11.787 11.209 1.273 1.00 0.00 C ATOM 207 C PHE A 16 10.371 10.640 1.281 1.00 0.00 C ATOM 208 O PHE A 16 10.171 9.452 1.531 1.00 0.00 O ATOM 209 CB PHE A 16 11.852 12.456 2.158 1.00 0.00 C ATOM 210 CG PHE A 16 11.900 12.146 3.627 1.00 0.00 C ATOM 211 CD1 PHE A 16 13.078 11.721 4.221 1.00 0.00 C ATOM 212 CD2 PHE A 16 10.768 12.279 4.414 1.00 0.00 C ATOM 213 CE1 PHE A 16 13.124 11.434 5.572 1.00 0.00 C ATOM 214 CE2 PHE A 16 10.808 11.994 5.766 1.00 0.00 C ATOM 215 CZ PHE A 16 11.988 11.572 6.346 1.00 0.00 C ATOM 0 H PHE A 16 11.694 12.296 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 16 12.465 10.454 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 16 12.734 13.038 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.983 13.082 1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 16 13.970 11.613 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 16 9.843 12.609 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 16 14.048 11.102 6.023 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.918 12.101 6.368 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.023 11.350 7.402 1.00 0.00 H new ATOM 225 N GLU A 17 9.394 11.497 1.005 1.00 0.00 N ATOM 226 CA GLU A 17 7.997 11.080 0.982 1.00 0.00 C ATOM 227 C GLU A 17 7.355 11.401 -0.365 1.00 0.00 C ATOM 228 O GLU A 17 6.319 12.063 -0.429 1.00 0.00 O ATOM 229 CB GLU A 17 7.218 11.765 2.107 1.00 0.00 C ATOM 230 CG GLU A 17 7.207 10.977 3.406 1.00 0.00 C ATOM 231 CD GLU A 17 6.751 11.810 4.589 1.00 0.00 C ATOM 232 OE1 GLU A 17 7.342 12.885 4.820 1.00 0.00 O ATOM 233 OE2 GLU A 17 5.803 11.386 5.283 1.00 0.00 O ATOM 0 H GLU A 17 9.544 12.484 0.794 1.00 0.00 H new ATOM 0 HA GLU A 17 7.965 10.001 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.651 12.748 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.191 11.926 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.549 10.115 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.208 10.592 3.602 1.00 0.00 H new ATOM 240 N ALA A 18 7.978 10.928 -1.439 1.00 0.00 N ATOM 241 CA ALA A 18 7.469 11.163 -2.784 1.00 0.00 C ATOM 242 C ALA A 18 6.479 10.077 -3.194 1.00 0.00 C ATOM 243 O ALA A 18 6.262 9.839 -4.382 1.00 0.00 O ATOM 244 CB ALA A 18 8.617 11.236 -3.779 1.00 0.00 C ATOM 0 H ALA A 18 8.837 10.379 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 18 6.942 12.117 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.221 11.412 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.285 12.052 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.169 10.296 -3.767 1.00 0.00 H new ATOM 250 N ARG A 19 5.883 9.422 -2.203 1.00 0.00 N ATOM 251 CA ARG A 19 4.918 8.360 -2.461 1.00 0.00 C ATOM 252 C ARG A 19 3.629 8.595 -1.680 1.00 0.00 C ATOM 253 O ARG A 19 3.374 7.941 -0.668 1.00 0.00 O ATOM 254 CB ARG A 19 5.512 7.001 -2.089 1.00 0.00 C ATOM 255 CG ARG A 19 6.716 6.611 -2.930 1.00 0.00 C ATOM 256 CD ARG A 19 6.301 6.152 -4.319 1.00 0.00 C ATOM 257 NE ARG A 19 7.391 5.484 -5.024 1.00 0.00 N ATOM 258 CZ ARG A 19 7.388 5.254 -6.332 1.00 0.00 C ATOM 259 NH1 ARG A 19 6.358 5.637 -7.074 1.00 0.00 N ATOM 260 NH2 ARG A 19 8.418 4.641 -6.902 1.00 0.00 N ATOM 0 H ARG A 19 6.051 9.608 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 19 4.684 8.367 -3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.803 7.017 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.742 6.236 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.393 7.461 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.266 5.813 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.452 5.473 -4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.967 7.012 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 19 8.199 5.177 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.565 6.110 -6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.359 5.459 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.213 4.346 -6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.414 4.465 -7.907 1.00 0.00 H new ATOM 274 N LYS A 20 2.817 9.534 -2.156 1.00 0.00 N ATOM 275 CA LYS A 20 1.554 9.856 -1.504 1.00 0.00 C ATOM 276 C LYS A 20 0.379 9.617 -2.447 1.00 0.00 C ATOM 277 O LYS A 20 0.540 9.616 -3.668 1.00 0.00 O ATOM 278 CB LYS A 20 1.556 11.312 -1.033 1.00 0.00 C ATOM 279 CG LYS A 20 2.259 11.520 0.297 1.00 0.00 C ATOM 280 CD LYS A 20 2.908 12.892 0.376 1.00 0.00 C ATOM 281 CE LYS A 20 2.944 13.409 1.806 1.00 0.00 C ATOM 282 NZ LYS A 20 3.031 14.895 1.856 1.00 0.00 N ATOM 0 H LYS A 20 3.012 10.085 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 20 1.443 9.201 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.039 11.929 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.526 11.659 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.542 11.408 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.018 10.749 0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.923 12.839 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.358 13.593 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.049 13.080 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.799 12.977 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.053 15.208 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.898 15.208 1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.203 15.307 1.381 1.00 0.00 H new ATOM 296 N CYS A 21 -0.803 9.418 -1.873 1.00 0.00 N ATOM 297 CA CYS A 21 -2.006 9.179 -2.662 1.00 0.00 C ATOM 298 C CYS A 21 -2.391 10.424 -3.456 1.00 0.00 C ATOM 299 O CYS A 21 -2.550 11.515 -2.909 1.00 0.00 O ATOM 300 CB CYS A 21 -3.163 8.762 -1.752 1.00 0.00 C ATOM 301 SG CYS A 21 -4.702 8.363 -2.642 1.00 0.00 S ATOM 0 H CYS A 21 -0.953 9.418 -0.864 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.796 8.372 -3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.858 7.893 -1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.363 9.567 -1.045 1.00 0.00 H new ATOM 306 N PRO A 22 -2.546 10.258 -4.778 1.00 0.00 N ATOM 307 CA PRO A 22 -2.915 11.356 -5.676 1.00 0.00 C ATOM 308 C PRO A 22 -4.354 11.817 -5.467 1.00 0.00 C ATOM 309 O PRO A 22 -4.741 12.897 -5.912 1.00 0.00 O ATOM 310 CB PRO A 22 -2.747 10.747 -7.070 1.00 0.00 C ATOM 311 CG PRO A 22 -2.921 9.281 -6.867 1.00 0.00 C ATOM 312 CD PRO A 22 -2.372 8.985 -5.498 1.00 0.00 C ATOM 0 HA PRO A 22 -2.304 12.243 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.488 11.141 -7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.766 10.975 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.972 8.999 -6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.389 8.715 -7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.914 8.173 -5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.324 8.688 -5.541 1.00 0.00 H new ATOM 320 N VAL A 23 -5.142 10.991 -4.786 1.00 0.00 N ATOM 321 CA VAL A 23 -6.538 11.315 -4.516 1.00 0.00 C ATOM 322 C VAL A 23 -6.698 11.953 -3.141 1.00 0.00 C ATOM 323 O VAL A 23 -7.531 12.840 -2.949 1.00 0.00 O ATOM 324 CB VAL A 23 -7.430 10.062 -4.595 1.00 0.00 C ATOM 325 CG1 VAL A 23 -8.876 10.416 -4.283 1.00 0.00 C ATOM 326 CG2 VAL A 23 -7.315 9.412 -5.966 1.00 0.00 C ATOM 0 H VAL A 23 -4.837 10.093 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.852 12.025 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.087 9.345 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.492 9.518 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.940 10.833 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.234 11.151 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.952 8.528 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.631 10.120 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.280 9.121 -6.145 1.00 0.00 H new ATOM 336 N HIS A 24 -5.894 11.497 -2.186 1.00 0.00 N ATOM 337 CA HIS A 24 -5.946 12.025 -0.827 1.00 0.00 C ATOM 338 C HIS A 24 -4.723 12.890 -0.533 1.00 0.00 C ATOM 339 O HIS A 24 -4.848 14.013 -0.046 1.00 0.00 O ATOM 340 CB HIS A 24 -6.030 10.881 0.184 1.00 0.00 C ATOM 341 CG HIS A 24 -7.342 10.158 0.162 1.00 0.00 C ATOM 342 ND1 HIS A 24 -7.579 9.053 -0.627 1.00 0.00 N ATOM 343 CD2 HIS A 24 -8.490 10.388 0.841 1.00 0.00 C ATOM 344 CE1 HIS A 24 -8.817 8.635 -0.435 1.00 0.00 C ATOM 345 NE2 HIS A 24 -9.392 9.427 0.452 1.00 0.00 N ATOM 0 H HIS A 24 -5.199 10.764 -2.328 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.838 12.645 -0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.229 10.170 -0.017 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.860 11.278 1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.665 11.179 1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.281 7.789 -0.921 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.349 9.340 0.793 1.00 0.00 H new ATOM 353 N GLY A 25 -3.542 12.358 -0.832 1.00 0.00 N ATOM 354 CA GLY A 25 -2.315 13.094 -0.593 1.00 0.00 C ATOM 355 C GLY A 25 -1.573 12.601 0.633 1.00 0.00 C ATOM 356 O GLY A 25 -0.851 13.361 1.279 1.00 0.00 O ATOM 0 H GLY A 25 -3.413 11.430 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.667 13.007 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.547 14.152 -0.472 1.00 0.00 H new ATOM 360 N LYS A 26 -1.751 11.324 0.957 1.00 0.00 N ATOM 361 CA LYS A 26 -1.093 10.729 2.114 1.00 0.00 C ATOM 362 C LYS A 26 -0.069 9.686 1.681 1.00 0.00 C ATOM 363 O LYS A 26 -0.299 8.928 0.738 1.00 0.00 O ATOM 364 CB LYS A 26 -2.129 10.088 3.041 1.00 0.00 C ATOM 365 CG LYS A 26 -3.174 11.064 3.552 1.00 0.00 C ATOM 366 CD LYS A 26 -2.546 12.170 4.384 1.00 0.00 C ATOM 367 CE LYS A 26 -3.544 12.764 5.366 1.00 0.00 C ATOM 368 NZ LYS A 26 -3.064 14.056 5.931 1.00 0.00 N ATOM 0 H LYS A 26 -2.346 10.681 0.434 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.573 11.521 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.629 9.279 2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.615 9.640 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.708 11.501 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.910 10.529 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.689 11.775 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.171 12.954 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.499 12.920 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.721 12.057 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.772 14.429 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.165 13.903 6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.919 14.739 5.161 1.00 0.00 H new ATOM 382 N THR A 27 1.064 9.650 2.376 1.00 0.00 N ATOM 383 CA THR A 27 2.124 8.700 2.063 1.00 0.00 C ATOM 384 C THR A 27 1.591 7.271 2.037 1.00 0.00 C ATOM 385 O THR A 27 1.509 6.611 3.072 1.00 0.00 O ATOM 386 CB THR A 27 3.276 8.787 3.081 1.00 0.00 C ATOM 387 OG1 THR A 27 3.907 10.069 2.997 1.00 0.00 O ATOM 388 CG2 THR A 27 4.303 7.693 2.832 1.00 0.00 C ATOM 0 H THR A 27 1.271 10.269 3.160 1.00 0.00 H new ATOM 0 HA THR A 27 2.502 8.963 1.075 1.00 0.00 H new ATOM 0 HB THR A 27 2.860 8.651 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.409 10.241 3.821 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.107 7.775 3.564 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.826 6.718 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.714 7.801 1.828 1.00 0.00 H new ATOM 396 N MET A 28 1.230 6.801 0.848 1.00 0.00 N ATOM 397 CA MET A 28 0.707 5.449 0.688 1.00 0.00 C ATOM 398 C MET A 28 1.548 4.444 1.469 1.00 0.00 C ATOM 399 O MET A 28 2.688 4.160 1.103 1.00 0.00 O ATOM 400 CB MET A 28 0.674 5.064 -0.792 1.00 0.00 C ATOM 401 CG MET A 28 -0.362 5.830 -1.597 1.00 0.00 C ATOM 402 SD MET A 28 -0.430 5.306 -3.321 1.00 0.00 S ATOM 403 CE MET A 28 0.940 6.231 -4.010 1.00 0.00 C ATOM 0 H MET A 28 1.290 7.336 -0.019 1.00 0.00 H new ATOM 0 HA MET A 28 -0.309 5.430 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.659 5.236 -1.226 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.471 3.996 -0.877 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.343 5.695 -1.141 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.135 6.895 -1.554 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.562 6.967 -4.720 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.474 6.741 -3.208 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.619 5.549 -4.522 1.00 0.00 H new ATOM 413 N GLU A 29 0.978 3.911 2.545 1.00 0.00 N ATOM 414 CA GLU A 29 1.678 2.939 3.377 1.00 0.00 C ATOM 415 C GLU A 29 1.044 1.557 3.249 1.00 0.00 C ATOM 416 O GLU A 29 1.228 0.695 4.109 1.00 0.00 O ATOM 417 CB GLU A 29 1.665 3.385 4.841 1.00 0.00 C ATOM 418 CG GLU A 29 2.026 4.848 5.035 1.00 0.00 C ATOM 419 CD GLU A 29 2.649 5.121 6.390 1.00 0.00 C ATOM 420 OE1 GLU A 29 1.892 5.373 7.351 1.00 0.00 O ATOM 421 OE2 GLU A 29 3.893 5.081 6.490 1.00 0.00 O ATOM 0 H GLU A 29 0.034 4.135 2.861 1.00 0.00 H new ATOM 0 HA GLU A 29 2.710 2.879 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.674 3.206 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.365 2.769 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.720 5.154 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.129 5.458 4.922 1.00 0.00 H new ATOM 428 N LEU A 30 0.296 1.353 2.170 1.00 0.00 N ATOM 429 CA LEU A 30 -0.366 0.076 1.928 1.00 0.00 C ATOM 430 C LEU A 30 -0.231 -0.339 0.467 1.00 0.00 C ATOM 431 O LEU A 30 0.196 0.449 -0.377 1.00 0.00 O ATOM 432 CB LEU A 30 -1.845 0.166 2.310 1.00 0.00 C ATOM 433 CG LEU A 30 -2.153 0.847 3.644 1.00 0.00 C ATOM 434 CD1 LEU A 30 -3.491 1.567 3.579 1.00 0.00 C ATOM 435 CD2 LEU A 30 -2.147 -0.169 4.776 1.00 0.00 C ATOM 0 H LEU A 30 0.133 2.056 1.449 1.00 0.00 H new ATOM 0 HA LEU A 30 0.118 -0.679 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.372 0.703 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.255 -0.844 2.337 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.375 1.585 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.694 2.046 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.459 2.323 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.280 0.849 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.368 0.334 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.903 -0.931 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.166 -0.639 4.838 1.00 0.00 H new ATOM 447 N PHE A 31 -0.601 -1.581 0.174 1.00 0.00 N ATOM 448 CA PHE A 31 -0.522 -2.102 -1.186 1.00 0.00 C ATOM 449 C PHE A 31 -1.695 -3.032 -1.481 1.00 0.00 C ATOM 450 O PHE A 31 -1.904 -4.027 -0.786 1.00 0.00 O ATOM 451 CB PHE A 31 0.798 -2.846 -1.395 1.00 0.00 C ATOM 452 CG PHE A 31 0.884 -3.555 -2.716 1.00 0.00 C ATOM 453 CD1 PHE A 31 1.179 -2.856 -3.875 1.00 0.00 C ATOM 454 CD2 PHE A 31 0.671 -4.922 -2.799 1.00 0.00 C ATOM 455 CE1 PHE A 31 1.258 -3.506 -5.092 1.00 0.00 C ATOM 456 CE2 PHE A 31 0.749 -5.578 -4.013 1.00 0.00 C ATOM 457 CZ PHE A 31 1.044 -4.869 -5.161 1.00 0.00 C ATOM 0 H PHE A 31 -0.959 -2.246 0.860 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.568 -1.258 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.622 -2.136 -1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.927 -3.572 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.349 -1.791 -3.827 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.441 -5.481 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.487 -2.949 -5.988 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.580 -6.643 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.107 -5.379 -6.111 1.00 0.00 H new ATOM 467 N CYS A 32 -2.459 -2.700 -2.517 1.00 0.00 N ATOM 468 CA CYS A 32 -3.613 -3.504 -2.905 1.00 0.00 C ATOM 469 C CYS A 32 -3.171 -4.835 -3.505 1.00 0.00 C ATOM 470 O CYS A 32 -2.226 -4.890 -4.291 1.00 0.00 O ATOM 471 CB CYS A 32 -4.477 -2.740 -3.911 1.00 0.00 C ATOM 472 SG CYS A 32 -6.110 -3.490 -4.208 1.00 0.00 S ATOM 0 H CYS A 32 -2.300 -1.880 -3.103 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.202 -3.707 -2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.617 -1.720 -3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.941 -2.675 -4.858 1.00 0.00 H new ATOM 477 N GLN A 33 -3.862 -5.906 -3.127 1.00 0.00 N ATOM 478 CA GLN A 33 -3.540 -7.238 -3.627 1.00 0.00 C ATOM 479 C GLN A 33 -4.377 -7.574 -4.858 1.00 0.00 C ATOM 480 O GLN A 33 -4.164 -8.599 -5.505 1.00 0.00 O ATOM 481 CB GLN A 33 -3.772 -8.285 -2.537 1.00 0.00 C ATOM 482 CG GLN A 33 -2.796 -8.181 -1.376 1.00 0.00 C ATOM 483 CD GLN A 33 -2.579 -9.507 -0.675 1.00 0.00 C ATOM 484 OE1 GLN A 33 -3.496 -10.322 -0.566 1.00 0.00 O ATOM 485 NE2 GLN A 33 -1.362 -9.731 -0.195 1.00 0.00 N ATOM 0 H GLN A 33 -4.648 -5.878 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.488 -7.247 -3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.788 -8.182 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.695 -9.279 -2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.840 -7.808 -1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.169 -7.451 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.632 -9.028 -0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.157 -10.606 0.287 1.00 0.00 H new ATOM 494 N THR A 34 -5.329 -6.703 -5.175 1.00 0.00 N ATOM 495 CA THR A 34 -6.199 -6.907 -6.327 1.00 0.00 C ATOM 496 C THR A 34 -5.558 -6.371 -7.602 1.00 0.00 C ATOM 497 O THR A 34 -5.297 -7.124 -8.541 1.00 0.00 O ATOM 498 CB THR A 34 -7.566 -6.226 -6.127 1.00 0.00 C ATOM 499 OG1 THR A 34 -8.293 -6.884 -5.084 1.00 0.00 O ATOM 500 CG2 THR A 34 -8.377 -6.253 -7.413 1.00 0.00 C ATOM 0 H THR A 34 -5.518 -5.849 -4.650 1.00 0.00 H new ATOM 0 HA THR A 34 -6.348 -7.982 -6.423 1.00 0.00 H new ATOM 0 HB THR A 34 -7.392 -5.187 -5.848 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.255 -6.808 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.338 -5.766 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.834 -5.725 -8.197 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.541 -7.287 -7.718 1.00 0.00 H new ATOM 508 N ASP A 35 -5.307 -5.067 -7.629 1.00 0.00 N ATOM 509 CA ASP A 35 -4.694 -4.430 -8.789 1.00 0.00 C ATOM 510 C ASP A 35 -3.185 -4.301 -8.604 1.00 0.00 C ATOM 511 O ASP A 35 -2.496 -3.721 -9.443 1.00 0.00 O ATOM 512 CB ASP A 35 -5.312 -3.051 -9.026 1.00 0.00 C ATOM 513 CG ASP A 35 -5.785 -2.400 -7.741 1.00 0.00 C ATOM 514 OD1 ASP A 35 -4.942 -2.162 -6.852 1.00 0.00 O ATOM 515 OD2 ASP A 35 -6.999 -2.130 -7.625 1.00 0.00 O ATOM 0 H ASP A 35 -5.518 -4.430 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.882 -5.058 -9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.578 -2.405 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.153 -3.146 -9.713 1.00 0.00 H new ATOM 520 N GLN A 36 -2.680 -4.843 -7.501 1.00 0.00 N ATOM 521 CA GLN A 36 -1.254 -4.786 -7.206 1.00 0.00 C ATOM 522 C GLN A 36 -0.728 -3.360 -7.332 1.00 0.00 C ATOM 523 O GLN A 36 0.284 -3.115 -7.989 1.00 0.00 O ATOM 524 CB GLN A 36 -0.480 -5.712 -8.146 1.00 0.00 C ATOM 525 CG GLN A 36 -0.723 -7.189 -7.881 1.00 0.00 C ATOM 526 CD GLN A 36 0.062 -7.706 -6.692 1.00 0.00 C ATOM 527 OE1 GLN A 36 1.284 -7.568 -6.632 1.00 0.00 O ATOM 528 NE2 GLN A 36 -0.638 -8.306 -5.736 1.00 0.00 N ATOM 0 H GLN A 36 -3.237 -5.327 -6.797 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.108 -5.118 -6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.758 -5.486 -9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.586 -5.505 -8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.787 -7.353 -7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.452 -7.763 -8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.650 -8.399 -5.827 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.164 -8.674 -4.911 1.00 0.00 H new ATOM 537 N THR A 37 -1.424 -2.420 -6.700 1.00 0.00 N ATOM 538 CA THR A 37 -1.029 -1.018 -6.742 1.00 0.00 C ATOM 539 C THR A 37 -0.944 -0.428 -5.339 1.00 0.00 C ATOM 540 O THR A 37 -1.529 -0.960 -4.395 1.00 0.00 O ATOM 541 CB THR A 37 -2.015 -0.181 -7.579 1.00 0.00 C ATOM 542 OG1 THR A 37 -1.379 1.020 -8.031 1.00 0.00 O ATOM 543 CG2 THR A 37 -3.253 0.169 -6.767 1.00 0.00 C ATOM 0 H THR A 37 -2.265 -2.605 -6.153 1.00 0.00 H new ATOM 0 HA THR A 37 -0.045 -0.981 -7.209 1.00 0.00 H new ATOM 0 HB THR A 37 -2.321 -0.775 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.012 1.545 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.934 0.760 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.752 -0.747 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.961 0.745 -5.889 1.00 0.00 H new ATOM 551 N CYS A 38 -0.213 0.674 -5.209 1.00 0.00 N ATOM 552 CA CYS A 38 -0.051 1.337 -3.920 1.00 0.00 C ATOM 553 C CYS A 38 -1.266 2.200 -3.596 1.00 0.00 C ATOM 554 O CYS A 38 -1.912 2.741 -4.494 1.00 0.00 O ATOM 555 CB CYS A 38 1.214 2.195 -3.920 1.00 0.00 C ATOM 556 SG CYS A 38 2.714 1.300 -4.386 1.00 0.00 S ATOM 0 H CYS A 38 0.277 1.127 -5.981 1.00 0.00 H new ATOM 0 HA CYS A 38 0.041 0.568 -3.153 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.074 3.030 -4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.352 2.620 -2.926 1.00 0.00 H new ATOM 0 HG CYS A 38 3.730 2.111 -4.359 1.00 0.00 H new ATOM 562 N ILE A 39 -1.573 2.322 -2.309 1.00 0.00 N ATOM 563 CA ILE A 39 -2.711 3.119 -1.867 1.00 0.00 C ATOM 564 C ILE A 39 -2.566 3.520 -0.403 1.00 0.00 C ATOM 565 O ILE A 39 -1.781 2.929 0.339 1.00 0.00 O ATOM 566 CB ILE A 39 -4.036 2.357 -2.051 1.00 0.00 C ATOM 567 CG1 ILE A 39 -3.994 1.027 -1.294 1.00 0.00 C ATOM 568 CG2 ILE A 39 -4.313 2.123 -3.528 1.00 0.00 C ATOM 569 CD1 ILE A 39 -5.353 0.557 -0.824 1.00 0.00 C ATOM 0 H ILE A 39 -1.050 1.879 -1.554 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.728 4.016 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.845 2.962 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.558 0.264 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.335 1.130 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.253 1.583 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.381 3.082 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.503 1.536 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.248 -0.391 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.783 1.301 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.009 0.422 -1.684 1.00 0.00 H new ATOM 581 N CYS A 40 -3.329 4.527 0.007 1.00 0.00 N ATOM 582 CA CYS A 40 -3.288 5.007 1.383 1.00 0.00 C ATOM 583 C CYS A 40 -4.357 4.322 2.230 1.00 0.00 C ATOM 584 O CYS A 40 -5.158 3.538 1.722 1.00 0.00 O ATOM 585 CB CYS A 40 -3.486 6.524 1.422 1.00 0.00 C ATOM 586 SG CYS A 40 -5.158 7.069 0.948 1.00 0.00 S ATOM 0 H CYS A 40 -3.984 5.027 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.310 4.764 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.271 6.882 2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.761 6.991 0.756 1.00 0.00 H new ATOM 591 N TYR A 41 -4.362 4.625 3.523 1.00 0.00 N ATOM 592 CA TYR A 41 -5.330 4.038 4.442 1.00 0.00 C ATOM 593 C TYR A 41 -6.742 4.525 4.130 1.00 0.00 C ATOM 594 O TYR A 41 -7.709 3.768 4.230 1.00 0.00 O ATOM 595 CB TYR A 41 -4.968 4.383 5.887 1.00 0.00 C ATOM 596 CG TYR A 41 -4.347 5.752 6.046 1.00 0.00 C ATOM 597 CD1 TYR A 41 -5.139 6.891 6.121 1.00 0.00 C ATOM 598 CD2 TYR A 41 -2.968 5.907 6.121 1.00 0.00 C ATOM 599 CE1 TYR A 41 -4.576 8.145 6.265 1.00 0.00 C ATOM 600 CE2 TYR A 41 -2.396 7.156 6.266 1.00 0.00 C ATOM 601 CZ TYR A 41 -3.204 8.272 6.337 1.00 0.00 C ATOM 602 OH TYR A 41 -2.640 9.519 6.482 1.00 0.00 O ATOM 0 H TYR A 41 -3.707 5.274 3.959 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.302 2.956 4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.867 4.328 6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.275 3.633 6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.213 6.795 6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.332 5.036 6.065 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.206 9.020 6.321 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.322 7.258 6.323 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.664 9.435 6.517 1.00 0.00 H new ATOM 612 N LEU A 42 -6.853 5.793 3.751 1.00 0.00 N ATOM 613 CA LEU A 42 -8.146 6.383 3.423 1.00 0.00 C ATOM 614 C LEU A 42 -8.752 5.717 2.192 1.00 0.00 C ATOM 615 O LEU A 42 -9.959 5.797 1.960 1.00 0.00 O ATOM 616 CB LEU A 42 -7.997 7.886 3.181 1.00 0.00 C ATOM 617 CG LEU A 42 -7.466 8.706 4.359 1.00 0.00 C ATOM 618 CD1 LEU A 42 -7.215 10.145 3.937 1.00 0.00 C ATOM 619 CD2 LEU A 42 -8.439 8.653 5.527 1.00 0.00 C ATOM 0 H LEU A 42 -6.063 6.433 3.663 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.815 6.222 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.330 8.033 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.970 8.286 2.895 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.519 8.273 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.838 10.713 4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.480 10.165 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.147 10.590 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.045 9.242 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.401 9.061 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.569 7.619 5.846 1.00 0.00 H new ATOM 631 N CYS A 43 -7.908 5.057 1.407 1.00 0.00 N ATOM 632 CA CYS A 43 -8.359 4.375 0.200 1.00 0.00 C ATOM 633 C CYS A 43 -8.926 2.998 0.534 1.00 0.00 C ATOM 634 O CYS A 43 -10.029 2.650 0.112 1.00 0.00 O ATOM 635 CB CYS A 43 -7.205 4.236 -0.795 1.00 0.00 C ATOM 636 SG CYS A 43 -7.041 5.640 -1.944 1.00 0.00 S ATOM 0 H CYS A 43 -6.907 4.980 1.585 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.149 4.975 -0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.273 4.123 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.345 3.322 -1.372 1.00 0.00 H new ATOM 641 N MET A 44 -8.163 2.218 1.293 1.00 0.00 N ATOM 642 CA MET A 44 -8.590 0.880 1.685 1.00 0.00 C ATOM 643 C MET A 44 -9.934 0.927 2.404 1.00 0.00 C ATOM 644 O MET A 44 -10.587 -0.101 2.589 1.00 0.00 O ATOM 645 CB MET A 44 -7.539 0.230 2.586 1.00 0.00 C ATOM 646 CG MET A 44 -7.488 0.822 3.986 1.00 0.00 C ATOM 647 SD MET A 44 -7.045 -0.395 5.240 1.00 0.00 S ATOM 648 CE MET A 44 -5.565 -1.101 4.518 1.00 0.00 C ATOM 0 H MET A 44 -7.246 2.489 1.649 1.00 0.00 H new ATOM 0 HA MET A 44 -8.703 0.282 0.781 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.745 -0.838 2.659 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.559 0.334 2.121 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.765 1.637 4.005 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.459 1.252 4.230 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.664 -2.186 4.472 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.427 -0.706 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.702 -0.841 5.131 1.00 0.00 H new ATOM 658 N PHE A 45 -10.343 2.125 2.808 1.00 0.00 N ATOM 659 CA PHE A 45 -11.610 2.305 3.508 1.00 0.00 C ATOM 660 C PHE A 45 -12.709 2.736 2.541 1.00 0.00 C ATOM 661 O PHE A 45 -13.896 2.591 2.831 1.00 0.00 O ATOM 662 CB PHE A 45 -11.458 3.343 4.621 1.00 0.00 C ATOM 663 CG PHE A 45 -10.302 3.072 5.540 1.00 0.00 C ATOM 664 CD1 PHE A 45 -9.990 1.777 5.920 1.00 0.00 C ATOM 665 CD2 PHE A 45 -9.526 4.114 6.025 1.00 0.00 C ATOM 666 CE1 PHE A 45 -8.926 1.524 6.765 1.00 0.00 C ATOM 667 CE2 PHE A 45 -8.461 3.867 6.870 1.00 0.00 C ATOM 668 CZ PHE A 45 -8.161 2.571 7.241 1.00 0.00 C ATOM 0 H PHE A 45 -9.816 2.986 2.663 1.00 0.00 H new ATOM 0 HA PHE A 45 -11.893 1.349 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.332 4.329 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.377 3.374 5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.586 0.955 5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.757 5.130 5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.693 0.509 7.053 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.864 4.687 7.240 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.330 2.376 7.902 1.00 0.00 H new ATOM 678 N GLN A 46 -12.303 3.266 1.392 1.00 0.00 N ATOM 679 CA GLN A 46 -13.254 3.719 0.383 1.00 0.00 C ATOM 680 C GLN A 46 -12.844 3.238 -1.005 1.00 0.00 C ATOM 681 O GLN A 46 -13.501 2.378 -1.592 1.00 0.00 O ATOM 682 CB GLN A 46 -13.356 5.245 0.397 1.00 0.00 C ATOM 683 CG GLN A 46 -14.429 5.775 1.335 1.00 0.00 C ATOM 684 CD GLN A 46 -15.812 5.743 0.716 1.00 0.00 C ATOM 685 OE1 GLN A 46 -15.976 5.988 -0.480 1.00 0.00 O ATOM 686 NE2 GLN A 46 -16.818 5.439 1.528 1.00 0.00 N ATOM 0 H GLN A 46 -11.324 3.392 1.136 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.229 3.295 0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.392 5.663 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.563 5.596 -0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.431 5.183 2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.185 6.799 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.637 5.243 2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.771 5.402 1.167 1.00 0.00 H new ATOM 695 N GLU A 47 -11.756 3.799 -1.524 1.00 0.00 N ATOM 696 CA GLU A 47 -11.262 3.427 -2.844 1.00 0.00 C ATOM 697 C GLU A 47 -11.209 1.910 -2.998 1.00 0.00 C ATOM 698 O GLU A 47 -11.848 1.342 -3.884 1.00 0.00 O ATOM 699 CB GLU A 47 -9.872 4.023 -3.079 1.00 0.00 C ATOM 700 CG GLU A 47 -9.898 5.487 -3.485 1.00 0.00 C ATOM 701 CD GLU A 47 -8.720 5.871 -4.359 1.00 0.00 C ATOM 702 OE1 GLU A 47 -8.304 5.038 -5.192 1.00 0.00 O ATOM 703 OE2 GLU A 47 -8.215 7.003 -4.211 1.00 0.00 O ATOM 0 H GLU A 47 -11.201 4.512 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.952 3.826 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.282 3.918 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.366 3.448 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.825 5.696 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.899 6.109 -2.590 1.00 0.00 H new ATOM 710 N HIS A 48 -10.442 1.259 -2.128 1.00 0.00 N ATOM 711 CA HIS A 48 -10.305 -0.193 -2.167 1.00 0.00 C ATOM 712 C HIS A 48 -10.821 -0.821 -0.876 1.00 0.00 C ATOM 713 O HIS A 48 -10.040 -1.234 -0.019 1.00 0.00 O ATOM 714 CB HIS A 48 -8.844 -0.583 -2.389 1.00 0.00 C ATOM 715 CG HIS A 48 -8.184 0.177 -3.499 1.00 0.00 C ATOM 716 ND1 HIS A 48 -7.739 -0.421 -4.659 1.00 0.00 N ATOM 717 CD2 HIS A 48 -7.896 1.493 -3.622 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.204 0.494 -5.447 1.00 0.00 C ATOM 719 NE2 HIS A 48 -7.287 1.665 -4.840 1.00 0.00 N ATOM 0 H HIS A 48 -9.907 1.714 -1.388 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.903 -0.568 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.288 -0.418 -1.466 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.790 -1.650 -2.608 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.106 2.265 -2.897 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.772 0.316 -6.421 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.953 2.552 -5.216 1.00 0.00 H new ATOM 727 N LYS A 49 -12.141 -0.890 -0.743 1.00 0.00 N ATOM 728 CA LYS A 49 -12.763 -1.468 0.442 1.00 0.00 C ATOM 729 C LYS A 49 -12.730 -2.992 0.385 1.00 0.00 C ATOM 730 O LYS A 49 -12.163 -3.643 1.261 1.00 0.00 O ATOM 731 CB LYS A 49 -14.208 -0.983 0.574 1.00 0.00 C ATOM 732 CG LYS A 49 -14.328 0.513 0.810 1.00 0.00 C ATOM 733 CD LYS A 49 -15.552 0.849 1.646 1.00 0.00 C ATOM 734 CE LYS A 49 -15.430 0.298 3.059 1.00 0.00 C ATOM 735 NZ LYS A 49 -16.433 0.903 3.979 1.00 0.00 N ATOM 0 H LYS A 49 -12.802 -0.552 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.196 -1.142 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.754 -1.244 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.686 -1.512 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.432 0.876 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.387 1.030 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.681 1.931 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.443 0.439 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.561 -0.784 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.426 0.491 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.317 0.502 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.292 1.933 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.391 0.698 3.631 1.00 0.00 H new ATOM 749 N ASN A 50 -13.342 -3.554 -0.653 1.00 0.00 N ATOM 750 CA ASN A 50 -13.381 -5.002 -0.824 1.00 0.00 C ATOM 751 C ASN A 50 -11.980 -5.562 -1.046 1.00 0.00 C ATOM 752 O ASN A 50 -11.492 -6.374 -0.259 1.00 0.00 O ATOM 753 CB ASN A 50 -14.283 -5.372 -2.003 1.00 0.00 C ATOM 754 CG ASN A 50 -15.721 -5.604 -1.581 1.00 0.00 C ATOM 755 OD1 ASN A 50 -16.263 -6.696 -1.754 1.00 0.00 O ATOM 756 ND2 ASN A 50 -16.348 -4.573 -1.024 1.00 0.00 N ATOM 0 H ASN A 50 -13.817 -3.029 -1.387 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.787 -5.440 0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.249 -4.576 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.898 -6.272 -2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -17.317 -4.669 -0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.860 -3.686 -0.900 1.00 0.00 H new ATOM 763 N HIS A 51 -11.336 -5.122 -2.123 1.00 0.00 N ATOM 764 CA HIS A 51 -9.990 -5.578 -2.448 1.00 0.00 C ATOM 765 C HIS A 51 -9.181 -5.834 -1.179 1.00 0.00 C ATOM 766 O HIS A 51 -9.273 -5.080 -0.211 1.00 0.00 O ATOM 767 CB HIS A 51 -9.276 -4.546 -3.322 1.00 0.00 C ATOM 768 CG HIS A 51 -10.029 -4.191 -4.566 1.00 0.00 C ATOM 769 ND1 HIS A 51 -9.561 -3.290 -5.499 1.00 0.00 N ATOM 770 CD2 HIS A 51 -11.225 -4.623 -5.031 1.00 0.00 C ATOM 771 CE1 HIS A 51 -10.436 -3.182 -6.482 1.00 0.00 C ATOM 772 NE2 HIS A 51 -11.455 -3.981 -6.223 1.00 0.00 N ATOM 0 H HIS A 51 -11.725 -4.450 -2.785 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.074 -6.515 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.109 -3.641 -2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.295 -4.933 -3.599 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.877 -5.339 -4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.335 -2.548 -7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.279 -4.102 -6.812 1.00 0.00 H new ATOM 780 N SER A 52 -8.392 -6.904 -1.192 1.00 0.00 N ATOM 781 CA SER A 52 -7.571 -7.262 -0.042 1.00 0.00 C ATOM 782 C SER A 52 -6.322 -6.388 0.028 1.00 0.00 C ATOM 783 O SER A 52 -5.313 -6.674 -0.617 1.00 0.00 O ATOM 784 CB SER A 52 -7.172 -8.737 -0.112 1.00 0.00 C ATOM 785 OG SER A 52 -8.130 -9.556 0.536 1.00 0.00 O ATOM 0 H SER A 52 -8.304 -7.538 -1.986 1.00 0.00 H new ATOM 0 HA SER A 52 -8.161 -7.095 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.074 -9.041 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.196 -8.875 0.354 1.00 0.00 H new ATOM 0 HG SER A 52 -7.853 -10.494 0.476 1.00 0.00 H new ATOM 791 N THR A 53 -6.397 -5.321 0.817 1.00 0.00 N ATOM 792 CA THR A 53 -5.275 -4.404 0.971 1.00 0.00 C ATOM 793 C THR A 53 -4.381 -4.820 2.133 1.00 0.00 C ATOM 794 O THR A 53 -4.867 -5.184 3.204 1.00 0.00 O ATOM 795 CB THR A 53 -5.757 -2.959 1.201 1.00 0.00 C ATOM 796 OG1 THR A 53 -6.907 -2.956 2.055 1.00 0.00 O ATOM 797 CG2 THR A 53 -6.099 -2.286 -0.120 1.00 0.00 C ATOM 0 H THR A 53 -7.224 -5.071 1.360 1.00 0.00 H new ATOM 0 HA THR A 53 -4.704 -4.445 0.043 1.00 0.00 H new ATOM 0 HB THR A 53 -4.950 -2.402 1.677 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.790 -3.623 2.764 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.437 -1.267 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.215 -2.264 -0.757 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.891 -2.845 -0.619 1.00 0.00 H new ATOM 805 N VAL A 54 -3.071 -4.763 1.916 1.00 0.00 N ATOM 806 CA VAL A 54 -2.108 -5.133 2.947 1.00 0.00 C ATOM 807 C VAL A 54 -0.978 -4.113 3.034 1.00 0.00 C ATOM 808 O VAL A 54 -0.554 -3.551 2.024 1.00 0.00 O ATOM 809 CB VAL A 54 -1.508 -6.526 2.681 1.00 0.00 C ATOM 810 CG1 VAL A 54 -2.595 -7.590 2.711 1.00 0.00 C ATOM 811 CG2 VAL A 54 -0.770 -6.543 1.351 1.00 0.00 C ATOM 0 H VAL A 54 -2.652 -4.464 1.035 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.649 -5.154 3.893 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.791 -6.751 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.152 -8.568 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.075 -7.593 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.338 -7.373 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.352 -7.535 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.464 -6.297 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.036 -5.809 1.372 1.00 0.00 H new ATOM 821 N THR A 55 -0.493 -3.878 4.249 1.00 0.00 N ATOM 822 CA THR A 55 0.588 -2.926 4.470 1.00 0.00 C ATOM 823 C THR A 55 1.765 -3.205 3.542 1.00 0.00 C ATOM 824 O THR A 55 2.216 -4.344 3.420 1.00 0.00 O ATOM 825 CB THR A 55 1.080 -2.962 5.929 1.00 0.00 C ATOM 826 OG1 THR A 55 1.001 -4.297 6.440 1.00 0.00 O ATOM 827 CG2 THR A 55 0.253 -2.030 6.802 1.00 0.00 C ATOM 0 H THR A 55 -0.832 -4.334 5.096 1.00 0.00 H new ATOM 0 HA THR A 55 0.185 -1.936 4.255 1.00 0.00 H new ATOM 0 HB THR A 55 2.117 -2.627 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.317 -4.312 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.619 -2.072 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.339 -1.010 6.428 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.792 -2.339 6.776 1.00 0.00 H new ATOM 835 N VAL A 56 2.259 -2.158 2.889 1.00 0.00 N ATOM 836 CA VAL A 56 3.386 -2.291 1.973 1.00 0.00 C ATOM 837 C VAL A 56 4.425 -3.264 2.517 1.00 0.00 C ATOM 838 O VAL A 56 4.833 -4.200 1.830 1.00 0.00 O ATOM 839 CB VAL A 56 4.060 -0.931 1.711 1.00 0.00 C ATOM 840 CG1 VAL A 56 5.277 -1.102 0.815 1.00 0.00 C ATOM 841 CG2 VAL A 56 3.068 0.045 1.096 1.00 0.00 C ATOM 0 H VAL A 56 1.897 -1.209 2.977 1.00 0.00 H new ATOM 0 HA VAL A 56 2.987 -2.677 1.035 1.00 0.00 H new ATOM 0 HB VAL A 56 4.395 -0.521 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.740 -0.131 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.995 -1.765 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.970 -1.533 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.561 1.001 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.701 -0.356 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.230 0.191 1.778 1.00 0.00 H new ATOM 851 N GLU A 57 4.849 -3.037 3.756 1.00 0.00 N ATOM 852 CA GLU A 57 5.842 -3.895 4.393 1.00 0.00 C ATOM 853 C GLU A 57 5.497 -5.367 4.193 1.00 0.00 C ATOM 854 O GLU A 57 6.362 -6.178 3.862 1.00 0.00 O ATOM 855 CB GLU A 57 5.937 -3.580 5.887 1.00 0.00 C ATOM 856 CG GLU A 57 6.749 -2.334 6.197 1.00 0.00 C ATOM 857 CD GLU A 57 8.234 -2.620 6.315 1.00 0.00 C ATOM 858 OE1 GLU A 57 8.597 -3.589 7.015 1.00 0.00 O ATOM 859 OE2 GLU A 57 9.032 -1.875 5.710 1.00 0.00 O ATOM 0 H GLU A 57 4.521 -2.267 4.339 1.00 0.00 H new ATOM 0 HA GLU A 57 6.807 -3.699 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.931 -3.457 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.383 -4.431 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.586 -1.594 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.392 -1.895 7.129 1.00 0.00 H new ATOM 866 N GLU A 58 4.227 -5.705 4.397 1.00 0.00 N ATOM 867 CA GLU A 58 3.769 -7.080 4.240 1.00 0.00 C ATOM 868 C GLU A 58 4.094 -7.606 2.845 1.00 0.00 C ATOM 869 O GLU A 58 4.575 -8.729 2.690 1.00 0.00 O ATOM 870 CB GLU A 58 2.262 -7.171 4.493 1.00 0.00 C ATOM 871 CG GLU A 58 1.812 -8.527 5.008 1.00 0.00 C ATOM 872 CD GLU A 58 1.889 -8.632 6.519 1.00 0.00 C ATOM 873 OE1 GLU A 58 2.656 -7.860 7.130 1.00 0.00 O ATOM 874 OE2 GLU A 58 1.180 -9.488 7.090 1.00 0.00 O ATOM 0 H GLU A 58 3.498 -5.046 4.671 1.00 0.00 H new ATOM 0 HA GLU A 58 4.291 -7.696 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.976 -6.405 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.733 -6.950 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.787 -8.712 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.431 -9.305 4.561 1.00 0.00 H new ATOM 881 N ALA A 59 3.826 -6.787 1.833 1.00 0.00 N ATOM 882 CA ALA A 59 4.091 -7.169 0.451 1.00 0.00 C ATOM 883 C ALA A 59 5.576 -7.440 0.231 1.00 0.00 C ATOM 884 O ALA A 59 5.951 -8.429 -0.399 1.00 0.00 O ATOM 885 CB ALA A 59 3.605 -6.084 -0.498 1.00 0.00 C ATOM 0 H ALA A 59 3.426 -5.855 1.944 1.00 0.00 H new ATOM 0 HA ALA A 59 3.546 -8.090 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.809 -6.382 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.532 -5.940 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.125 -5.151 -0.281 1.00 0.00 H new ATOM 891 N LYS A 60 6.418 -6.555 0.754 1.00 0.00 N ATOM 892 CA LYS A 60 7.862 -6.698 0.616 1.00 0.00 C ATOM 893 C LYS A 60 8.305 -8.114 0.970 1.00 0.00 C ATOM 894 O LYS A 60 9.092 -8.727 0.250 1.00 0.00 O ATOM 895 CB LYS A 60 8.583 -5.688 1.511 1.00 0.00 C ATOM 896 CG LYS A 60 8.357 -4.242 1.102 1.00 0.00 C ATOM 897 CD LYS A 60 9.407 -3.322 1.702 1.00 0.00 C ATOM 898 CE LYS A 60 8.895 -1.895 1.821 1.00 0.00 C ATOM 899 NZ LYS A 60 8.989 -1.163 0.528 1.00 0.00 N ATOM 0 H LYS A 60 6.124 -5.730 1.278 1.00 0.00 H new ATOM 0 HA LYS A 60 8.123 -6.504 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.248 -5.822 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.652 -5.899 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.381 -4.162 0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.366 -3.923 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.695 -3.690 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.303 -3.338 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.858 -1.908 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.469 -1.365 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.630 -0.194 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.982 -1.128 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.420 -1.654 -0.191 1.00 0.00 H new ATOM 913 N ALA A 61 7.793 -8.628 2.083 1.00 0.00 N ATOM 914 CA ALA A 61 8.133 -9.973 2.531 1.00 0.00 C ATOM 915 C ALA A 61 8.186 -10.945 1.357 1.00 0.00 C ATOM 916 O ALA A 61 9.156 -11.685 1.196 1.00 0.00 O ATOM 917 CB ALA A 61 7.131 -10.453 3.571 1.00 0.00 C ATOM 0 H ALA A 61 7.141 -8.133 2.691 1.00 0.00 H new ATOM 0 HA ALA A 61 9.123 -9.938 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.398 -11.459 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.145 -9.779 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.132 -10.466 3.135 1.00 0.00 H new ATOM 923 N GLU A 62 7.137 -10.937 0.540 1.00 0.00 N ATOM 924 CA GLU A 62 7.065 -11.820 -0.618 1.00 0.00 C ATOM 925 C GLU A 62 8.396 -11.850 -1.363 1.00 0.00 C ATOM 926 O GLU A 62 8.872 -12.911 -1.767 1.00 0.00 O ATOM 927 CB GLU A 62 5.949 -11.369 -1.563 1.00 0.00 C ATOM 928 CG GLU A 62 5.686 -12.340 -2.702 1.00 0.00 C ATOM 929 CD GLU A 62 6.697 -12.210 -3.824 1.00 0.00 C ATOM 930 OE1 GLU A 62 6.862 -11.088 -4.346 1.00 0.00 O ATOM 931 OE2 GLU A 62 7.323 -13.230 -4.181 1.00 0.00 O ATOM 0 H GLU A 62 6.326 -10.329 0.659 1.00 0.00 H new ATOM 0 HA GLU A 62 6.845 -12.826 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.031 -11.237 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.208 -10.396 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.705 -13.360 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.685 -12.167 -3.098 1.00 0.00 H new ATOM 938 N LYS A 63 8.993 -10.676 -1.543 1.00 0.00 N ATOM 939 CA LYS A 63 10.270 -10.565 -2.239 1.00 0.00 C ATOM 940 C LYS A 63 11.411 -11.076 -1.365 1.00 0.00 C ATOM 941 O LYS A 63 12.052 -12.075 -1.688 1.00 0.00 O ATOM 942 CB LYS A 63 10.531 -9.111 -2.639 1.00 0.00 C ATOM 943 CG LYS A 63 11.964 -8.845 -3.064 1.00 0.00 C ATOM 944 CD LYS A 63 12.240 -7.357 -3.198 1.00 0.00 C ATOM 945 CE LYS A 63 12.678 -6.750 -1.874 1.00 0.00 C ATOM 946 NZ LYS A 63 11.514 -6.347 -1.037 1.00 0.00 N ATOM 0 H LYS A 63 8.613 -9.788 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 63 10.221 -11.179 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.863 -8.842 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.284 -8.462 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.647 -9.278 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.160 -9.339 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.015 -7.196 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.343 -6.850 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.286 -7.471 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.307 -5.881 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.767 -5.514 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.708 -6.114 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.252 -7.131 -0.406 1.00 0.00 H new ATOM 960 N GLU A 64 11.659 -10.383 -0.258 1.00 0.00 N ATOM 961 CA GLU A 64 12.723 -10.768 0.661 1.00 0.00 C ATOM 962 C GLU A 64 12.871 -12.286 0.718 1.00 0.00 C ATOM 963 O GLU A 64 11.902 -13.008 0.955 1.00 0.00 O ATOM 964 CB GLU A 64 12.441 -10.220 2.062 1.00 0.00 C ATOM 965 CG GLU A 64 12.899 -8.784 2.257 1.00 0.00 C ATOM 966 CD GLU A 64 14.404 -8.666 2.400 1.00 0.00 C ATOM 967 OE1 GLU A 64 15.125 -9.478 1.783 1.00 0.00 O ATOM 968 OE2 GLU A 64 14.861 -7.762 3.131 1.00 0.00 O ATOM 0 H GLU A 64 11.138 -9.553 0.024 1.00 0.00 H new ATOM 0 HA GLU A 64 13.657 -10.343 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.371 -10.281 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.937 -10.854 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.570 -8.183 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.420 -8.371 3.145 1.00 0.00 H new ATOM 975 N THR A 65 14.091 -12.765 0.497 1.00 0.00 N ATOM 976 CA THR A 65 14.367 -14.196 0.520 1.00 0.00 C ATOM 977 C THR A 65 14.075 -14.789 1.894 1.00 0.00 C ATOM 978 O THR A 65 13.834 -14.061 2.856 1.00 0.00 O ATOM 979 CB THR A 65 15.831 -14.492 0.146 1.00 0.00 C ATOM 980 OG1 THR A 65 16.058 -15.906 0.137 1.00 0.00 O ATOM 981 CG2 THR A 65 16.785 -13.827 1.127 1.00 0.00 C ATOM 0 H THR A 65 14.904 -12.182 0.300 1.00 0.00 H new ATOM 0 HA THR A 65 13.711 -14.657 -0.219 1.00 0.00 H new ATOM 0 HB THR A 65 16.018 -14.088 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.991 -16.086 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 65 17.813 -14.050 0.843 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.630 -12.748 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 65 16.596 -14.206 2.132 1.00 0.00 H new ATOM 989 N GLU A 66 14.099 -16.116 1.977 1.00 0.00 N ATOM 990 CA GLU A 66 13.836 -16.806 3.234 1.00 0.00 C ATOM 991 C GLU A 66 12.657 -16.173 3.967 1.00 0.00 C ATOM 992 O GLU A 66 12.766 -15.798 5.134 1.00 0.00 O ATOM 993 CB GLU A 66 15.079 -16.778 4.127 1.00 0.00 C ATOM 994 CG GLU A 66 16.142 -17.785 3.721 1.00 0.00 C ATOM 995 CD GLU A 66 15.919 -19.151 4.342 1.00 0.00 C ATOM 996 OE1 GLU A 66 15.550 -19.206 5.534 1.00 0.00 O ATOM 997 OE2 GLU A 66 16.115 -20.163 3.638 1.00 0.00 O ATOM 0 H GLU A 66 14.298 -16.733 1.190 1.00 0.00 H new ATOM 0 HA GLU A 66 13.585 -17.841 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.511 -15.777 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.781 -16.973 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 66 16.151 -17.881 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.123 -17.412 4.016 1.00 0.00 H new ATOM 1004 N SER A 67 11.529 -16.057 3.272 1.00 0.00 N ATOM 1005 CA SER A 67 10.330 -15.466 3.854 1.00 0.00 C ATOM 1006 C SER A 67 9.074 -16.016 3.185 1.00 0.00 C ATOM 1007 O SER A 67 8.996 -16.101 1.961 1.00 0.00 O ATOM 1008 CB SER A 67 10.369 -13.943 3.717 1.00 0.00 C ATOM 1009 OG SER A 67 11.545 -13.408 4.300 1.00 0.00 O ATOM 0 H SER A 67 11.421 -16.365 2.305 1.00 0.00 H new ATOM 0 HA SER A 67 10.302 -15.728 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.325 -13.668 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.492 -13.509 4.197 1.00 0.00 H new ATOM 0 HG SER A 67 12.301 -13.539 3.690 1.00 0.00 H new ATOM 1015 N GLY A 68 8.092 -16.388 4.001 1.00 0.00 N ATOM 1016 CA GLY A 68 6.852 -16.926 3.472 1.00 0.00 C ATOM 1017 C GLY A 68 7.069 -18.177 2.644 1.00 0.00 C ATOM 1018 O GLY A 68 7.972 -18.972 2.907 1.00 0.00 O ATOM 0 H GLY A 68 8.133 -16.326 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.177 -17.153 4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.363 -16.169 2.859 1.00 0.00 H new ATOM 1022 N PRO A 69 6.226 -18.367 1.619 1.00 0.00 N ATOM 1023 CA PRO A 69 6.309 -19.530 0.731 1.00 0.00 C ATOM 1024 C PRO A 69 7.543 -19.489 -0.164 1.00 0.00 C ATOM 1025 O PRO A 69 7.716 -20.338 -1.039 1.00 0.00 O ATOM 1026 CB PRO A 69 5.034 -19.426 -0.111 1.00 0.00 C ATOM 1027 CG PRO A 69 4.688 -17.977 -0.095 1.00 0.00 C ATOM 1028 CD PRO A 69 5.126 -17.461 1.247 1.00 0.00 C ATOM 0 HA PRO A 69 6.393 -20.463 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.201 -19.782 -1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.230 -20.030 0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.194 -17.446 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.618 -17.830 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.461 -16.425 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.315 -17.494 1.974 1.00 0.00 H new ATOM 1036 N SER A 70 8.398 -18.497 0.060 1.00 0.00 N ATOM 1037 CA SER A 70 9.615 -18.344 -0.728 1.00 0.00 C ATOM 1038 C SER A 70 10.125 -19.699 -1.209 1.00 0.00 C ATOM 1039 O SER A 70 10.497 -20.555 -0.406 1.00 0.00 O ATOM 1040 CB SER A 70 10.697 -17.642 0.095 1.00 0.00 C ATOM 1041 OG SER A 70 11.929 -17.609 -0.604 1.00 0.00 O ATOM 0 H SER A 70 8.270 -17.787 0.781 1.00 0.00 H new ATOM 0 HA SER A 70 9.379 -17.734 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.380 -16.625 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.828 -18.159 1.045 1.00 0.00 H new ATOM 0 HG SER A 70 12.603 -17.154 -0.057 1.00 0.00 H new ATOM 1047 N SER A 71 10.140 -19.886 -2.525 1.00 0.00 N ATOM 1048 CA SER A 71 10.601 -21.138 -3.114 1.00 0.00 C ATOM 1049 C SER A 71 11.974 -20.963 -3.756 1.00 0.00 C ATOM 1050 O SER A 71 12.165 -21.269 -4.932 1.00 0.00 O ATOM 1051 CB SER A 71 9.597 -21.634 -4.157 1.00 0.00 C ATOM 1052 OG SER A 71 8.624 -22.479 -3.567 1.00 0.00 O ATOM 0 H SER A 71 9.838 -19.187 -3.203 1.00 0.00 H new ATOM 0 HA SER A 71 10.683 -21.878 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.106 -20.782 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.123 -22.174 -4.944 1.00 0.00 H new ATOM 0 HG SER A 71 7.993 -22.781 -4.254 1.00 0.00 H new ATOM 1058 N GLY A 72 12.928 -20.469 -2.972 1.00 0.00 N ATOM 1059 CA GLY A 72 14.271 -20.262 -3.480 1.00 0.00 C ATOM 1060 C GLY A 72 14.351 -19.101 -4.451 1.00 0.00 C ATOM 1061 O GLY A 72 14.804 -19.294 -5.579 1.00 0.00 O ATOM 0 H GLY A 72 12.794 -20.209 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.948 -20.081 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.613 -21.171 -3.976 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 200 -6.251 7.636 -1.045 1.00 0.00 ZN HETATM 1067 ZN ZN A 400 -7.755 -2.329 -5.411 1.00 0.00 ZN