USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=20 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 -129:sc= -7.25! (180deg=-8.31!) USER MOD Set 1.2: A 53 THR OG1 : rot -113:sc= -0.612 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 168:sc= 0.907 (180deg=-0.111) USER MOD Set 2.2: A 27 THR OG1 : rot 176:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.0169 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.151 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 145:sc= 0 (180deg=-0.511) USER MOD Single : A 33 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.26) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.301 USER MOD Single : A 36 GLN : amide:sc= -0.0869 K(o=-0.087,f=-1.6!) 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 0:sc= -1.49 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 130:sc= -0.872 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 29:sc= 0.0972 USER MOD Single : A 67 SER OG : rot 180:sc= 0 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 18.138 38.029 -14.805 1.00 0.00 N ATOM 2 CA GLY A 1 19.307 37.410 -14.206 1.00 0.00 C ATOM 3 C GLY A 1 19.621 37.971 -12.834 1.00 0.00 C ATOM 4 O GLY A 1 18.717 38.347 -12.087 1.00 0.00 O ATOM 0 H1 GLY A 1 17.646 37.335 -15.404 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.496 38.356 -14.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.434 38.840 -15.386 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.145 36.335 -14.127 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.167 37.556 -14.860 1.00 0.00 H new ATOM 8 N SER A 2 20.906 38.026 -12.499 1.00 0.00 N ATOM 9 CA SER A 2 21.337 38.540 -11.204 1.00 0.00 C ATOM 10 C SER A 2 22.858 38.653 -11.143 1.00 0.00 C ATOM 11 O SER A 2 23.566 38.109 -11.991 1.00 0.00 O ATOM 12 CB SER A 2 20.837 37.632 -10.079 1.00 0.00 C ATOM 13 OG SER A 2 21.654 36.480 -9.951 1.00 0.00 O ATOM 0 H SER A 2 21.667 37.721 -13.106 1.00 0.00 H new ATOM 0 HA SER A 2 20.910 39.535 -11.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.830 38.183 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.809 37.332 -10.280 1.00 0.00 H new ATOM 0 HG SER A 2 21.314 35.917 -9.224 1.00 0.00 H new ATOM 19 N SER A 3 23.352 39.365 -10.135 1.00 0.00 N ATOM 20 CA SER A 3 24.788 39.554 -9.965 1.00 0.00 C ATOM 21 C SER A 3 25.121 39.914 -8.520 1.00 0.00 C ATOM 22 O SER A 3 24.455 40.748 -7.907 1.00 0.00 O ATOM 23 CB SER A 3 25.294 40.649 -10.905 1.00 0.00 C ATOM 24 OG SER A 3 25.013 41.938 -10.386 1.00 0.00 O ATOM 0 H SER A 3 22.779 39.820 -9.424 1.00 0.00 H new ATOM 0 HA SER A 3 25.285 38.616 -10.211 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.369 40.539 -11.051 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.826 40.538 -11.883 1.00 0.00 H new ATOM 0 HG SER A 3 25.348 42.620 -11.005 1.00 0.00 H new ATOM 30 N GLY A 4 26.157 39.278 -7.982 1.00 0.00 N ATOM 31 CA GLY A 4 26.561 39.543 -6.614 1.00 0.00 C ATOM 32 C GLY A 4 27.330 38.389 -6.002 1.00 0.00 C ATOM 33 O GLY A 4 28.501 38.530 -5.652 1.00 0.00 O ATOM 0 H GLY A 4 26.724 38.584 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.178 40.441 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.677 39.747 -6.010 1.00 0.00 H new ATOM 37 N SER A 5 26.668 37.243 -5.870 1.00 0.00 N ATOM 38 CA SER A 5 27.295 36.061 -5.291 1.00 0.00 C ATOM 39 C SER A 5 27.033 34.830 -6.153 1.00 0.00 C ATOM 40 O SER A 5 26.155 34.838 -7.016 1.00 0.00 O ATOM 41 CB SER A 5 26.772 35.824 -3.873 1.00 0.00 C ATOM 42 OG SER A 5 25.417 35.410 -3.891 1.00 0.00 O ATOM 0 H SER A 5 25.698 37.109 -6.156 1.00 0.00 H new ATOM 0 HA SER A 5 28.371 36.233 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.380 35.066 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.868 36.739 -3.289 1.00 0.00 H new ATOM 0 HG SER A 5 25.107 35.264 -2.973 1.00 0.00 H new ATOM 48 N SER A 6 27.803 33.773 -5.914 1.00 0.00 N ATOM 49 CA SER A 6 27.659 32.535 -6.671 1.00 0.00 C ATOM 50 C SER A 6 26.405 31.779 -6.242 1.00 0.00 C ATOM 51 O SER A 6 25.657 31.272 -7.076 1.00 0.00 O ATOM 52 CB SER A 6 28.892 31.650 -6.481 1.00 0.00 C ATOM 53 OG SER A 6 28.907 31.066 -5.190 1.00 0.00 O ATOM 0 H SER A 6 28.533 33.749 -5.202 1.00 0.00 H new ATOM 0 HA SER A 6 27.564 32.792 -7.726 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.901 30.866 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.795 32.243 -6.626 1.00 0.00 H new ATOM 0 HG SER A 6 29.704 30.504 -5.094 1.00 0.00 H new ATOM 59 N GLY A 7 26.183 31.709 -4.933 1.00 0.00 N ATOM 60 CA GLY A 7 25.020 31.014 -4.414 1.00 0.00 C ATOM 61 C GLY A 7 25.387 29.753 -3.658 1.00 0.00 C ATOM 62 O GLY A 7 26.349 29.070 -4.009 1.00 0.00 O ATOM 0 H GLY A 7 26.788 32.121 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.467 31.682 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.355 30.759 -5.239 1.00 0.00 H new ATOM 66 N GLN A 8 24.621 29.444 -2.617 1.00 0.00 N ATOM 67 CA GLN A 8 24.874 28.257 -1.808 1.00 0.00 C ATOM 68 C GLN A 8 24.398 26.998 -2.525 1.00 0.00 C ATOM 69 O GLN A 8 25.077 25.971 -2.514 1.00 0.00 O ATOM 70 CB GLN A 8 24.176 28.380 -0.452 1.00 0.00 C ATOM 71 CG GLN A 8 22.671 28.565 -0.557 1.00 0.00 C ATOM 72 CD GLN A 8 22.091 29.311 0.628 1.00 0.00 C ATOM 73 OE1 GLN A 8 21.695 28.706 1.625 1.00 0.00 O ATOM 74 NE2 GLN A 8 22.037 30.634 0.527 1.00 0.00 N ATOM 0 H GLN A 8 23.820 29.999 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 8 25.950 28.179 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 8 24.384 27.486 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 8 24.601 29.225 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.439 29.109 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 8 22.193 27.588 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.376 31.095 -0.317 1.00 0.00 H new ATOM 0 HE22 GLN A 8 21.656 31.189 1.294 1.00 0.00 H new ATOM 83 N LEU A 9 23.228 27.084 -3.148 1.00 0.00 N ATOM 84 CA LEU A 9 22.661 25.951 -3.871 1.00 0.00 C ATOM 85 C LEU A 9 22.523 24.737 -2.958 1.00 0.00 C ATOM 86 O LEU A 9 22.894 23.623 -3.329 1.00 0.00 O ATOM 87 CB LEU A 9 23.535 25.601 -5.076 1.00 0.00 C ATOM 88 CG LEU A 9 22.908 24.665 -6.110 1.00 0.00 C ATOM 89 CD1 LEU A 9 21.935 25.425 -6.998 1.00 0.00 C ATOM 90 CD2 LEU A 9 23.988 23.997 -6.949 1.00 0.00 C ATOM 0 H LEU A 9 22.653 27.927 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 9 21.668 26.234 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 9 23.816 26.527 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 9 24.455 25.144 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 9 22.355 23.889 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 9 21.499 24.742 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 9 21.143 25.855 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 9 22.465 26.223 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 9 23.524 23.335 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 9 24.569 24.759 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 9 24.646 23.418 -6.301 1.00 0.00 H new ATOM 102 N LEU A 10 21.985 24.959 -1.764 1.00 0.00 N ATOM 103 CA LEU A 10 21.795 23.883 -0.798 1.00 0.00 C ATOM 104 C LEU A 10 21.346 22.601 -1.492 1.00 0.00 C ATOM 105 O LEU A 10 20.363 22.598 -2.233 1.00 0.00 O ATOM 106 CB LEU A 10 20.766 24.293 0.257 1.00 0.00 C ATOM 107 CG LEU A 10 19.445 24.851 -0.276 1.00 0.00 C ATOM 108 CD1 LEU A 10 18.346 24.706 0.765 1.00 0.00 C ATOM 109 CD2 LEU A 10 19.608 26.308 -0.683 1.00 0.00 C ATOM 0 H LEU A 10 21.673 25.875 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 10 22.751 23.694 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.546 23.425 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 10 21.219 25.043 0.906 1.00 0.00 H new ATOM 0 HG LEU A 10 19.159 24.278 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.414 25.108 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 10 18.212 23.652 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.623 25.254 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.659 26.689 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.917 26.895 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.365 26.385 -1.463 1.00 0.00 H new ATOM 121 N GLU A 11 22.071 21.515 -1.245 1.00 0.00 N ATOM 122 CA GLU A 11 21.745 20.227 -1.846 1.00 0.00 C ATOM 123 C GLU A 11 20.442 19.674 -1.276 1.00 0.00 C ATOM 124 O GLU A 11 20.201 19.705 -0.069 1.00 0.00 O ATOM 125 CB GLU A 11 22.881 19.228 -1.613 1.00 0.00 C ATOM 126 CG GLU A 11 22.688 17.907 -2.339 1.00 0.00 C ATOM 127 CD GLU A 11 23.095 17.979 -3.798 1.00 0.00 C ATOM 128 OE1 GLU A 11 23.892 18.874 -4.149 1.00 0.00 O ATOM 129 OE2 GLU A 11 22.615 17.139 -4.588 1.00 0.00 O ATOM 0 H GLU A 11 22.887 21.501 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 11 21.617 20.378 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 11 23.820 19.677 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.971 19.036 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.272 17.134 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.642 17.609 -2.272 1.00 0.00 H new ATOM 136 N PRO A 12 19.580 19.157 -2.164 1.00 0.00 N ATOM 137 CA PRO A 12 18.287 18.588 -1.773 1.00 0.00 C ATOM 138 C PRO A 12 18.438 17.277 -1.008 1.00 0.00 C ATOM 139 O PRO A 12 19.546 16.886 -0.640 1.00 0.00 O ATOM 140 CB PRO A 12 17.586 18.347 -3.112 1.00 0.00 C ATOM 141 CG PRO A 12 18.693 18.192 -4.097 1.00 0.00 C ATOM 142 CD PRO A 12 19.802 19.087 -3.618 1.00 0.00 C ATOM 0 HA PRO A 12 17.738 19.248 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 12 16.960 17.455 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 12 16.936 19.182 -3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.024 17.155 -4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.367 18.476 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.782 18.674 -3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.751 20.073 -4.080 1.00 0.00 H new ATOM 150 N ILE A 13 17.318 16.603 -0.772 1.00 0.00 N ATOM 151 CA ILE A 13 17.327 15.335 -0.052 1.00 0.00 C ATOM 152 C ILE A 13 17.339 14.155 -1.018 1.00 0.00 C ATOM 153 O ILE A 13 16.721 14.203 -2.081 1.00 0.00 O ATOM 154 CB ILE A 13 16.107 15.208 0.880 1.00 0.00 C ATOM 155 CG1 ILE A 13 16.166 16.270 1.980 1.00 0.00 C ATOM 156 CG2 ILE A 13 16.046 13.814 1.485 1.00 0.00 C ATOM 157 CD1 ILE A 13 17.350 16.114 2.908 1.00 0.00 C ATOM 0 H ILE A 13 16.393 16.913 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 13 18.236 15.320 0.549 1.00 0.00 H new ATOM 0 HB ILE A 13 15.202 15.368 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.204 17.257 1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.248 16.226 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.179 13.740 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.963 13.075 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.953 13.627 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.327 16.901 3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.303 15.141 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 13 18.274 16.188 2.334 1.00 0.00 H new ATOM 169 N ARG A 14 18.046 13.095 -0.639 1.00 0.00 N ATOM 170 CA ARG A 14 18.139 11.901 -1.471 1.00 0.00 C ATOM 171 C ARG A 14 16.754 11.439 -1.915 1.00 0.00 C ATOM 172 O ARG A 14 16.424 11.483 -3.100 1.00 0.00 O ATOM 173 CB ARG A 14 18.844 10.777 -0.710 1.00 0.00 C ATOM 174 CG ARG A 14 19.544 9.776 -1.614 1.00 0.00 C ATOM 175 CD ARG A 14 20.482 8.875 -0.825 1.00 0.00 C ATOM 176 NE ARG A 14 21.615 9.613 -0.274 1.00 0.00 N ATOM 177 CZ ARG A 14 22.671 9.030 0.284 1.00 0.00 C ATOM 178 NH1 ARG A 14 22.738 7.709 0.363 1.00 0.00 N ATOM 179 NH2 ARG A 14 23.663 9.770 0.763 1.00 0.00 N ATOM 0 H ARG A 14 18.563 13.039 0.239 1.00 0.00 H new ATOM 0 HA ARG A 14 18.721 12.151 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 14 19.576 11.213 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.113 10.251 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 14 18.801 9.168 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 14 20.108 10.308 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 14 19.931 8.399 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 14 20.849 8.078 -1.472 1.00 0.00 H new ATOM 0 HE ARG A 14 21.595 10.632 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 14 21.978 7.137 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.550 7.264 0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.615 10.787 0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.473 9.322 1.191 1.00 0.00 H new ATOM 193 N ASP A 15 15.948 10.996 -0.956 1.00 0.00 N ATOM 194 CA ASP A 15 14.599 10.527 -1.248 1.00 0.00 C ATOM 195 C ASP A 15 13.594 11.113 -0.261 1.00 0.00 C ATOM 196 O ASP A 15 13.471 10.641 0.870 1.00 0.00 O ATOM 197 CB ASP A 15 14.546 8.999 -1.201 1.00 0.00 C ATOM 198 CG ASP A 15 14.974 8.446 0.145 1.00 0.00 C ATOM 199 OD1 ASP A 15 16.137 8.674 0.538 1.00 0.00 O ATOM 200 OD2 ASP A 15 14.145 7.786 0.805 1.00 0.00 O ATOM 0 H ASP A 15 16.206 10.952 0.030 1.00 0.00 H new ATOM 0 HA ASP A 15 14.334 10.862 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.532 8.667 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.191 8.592 -1.980 1.00 0.00 H new ATOM 205 N PHE A 16 12.879 12.145 -0.696 1.00 0.00 N ATOM 206 CA PHE A 16 11.886 12.798 0.150 1.00 0.00 C ATOM 207 C PHE A 16 10.532 12.105 0.033 1.00 0.00 C ATOM 208 O PHE A 16 10.393 11.106 -0.673 1.00 0.00 O ATOM 209 CB PHE A 16 11.751 14.273 -0.231 1.00 0.00 C ATOM 210 CG PHE A 16 11.218 15.133 0.879 1.00 0.00 C ATOM 211 CD1 PHE A 16 11.893 15.228 2.085 1.00 0.00 C ATOM 212 CD2 PHE A 16 10.041 15.846 0.716 1.00 0.00 C ATOM 213 CE1 PHE A 16 11.404 16.018 3.108 1.00 0.00 C ATOM 214 CE2 PHE A 16 9.547 16.638 1.736 1.00 0.00 C ATOM 215 CZ PHE A 16 10.230 16.725 2.933 1.00 0.00 C ATOM 0 H PHE A 16 12.968 12.547 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 16 12.223 12.727 1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 16 12.726 14.652 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.091 14.358 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 16 12.812 14.678 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 16 9.503 15.782 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.939 16.083 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.628 17.188 1.597 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.847 17.344 3.731 1.00 0.00 H new ATOM 225 N GLU A 17 9.536 12.643 0.730 1.00 0.00 N ATOM 226 CA GLU A 17 8.193 12.075 0.705 1.00 0.00 C ATOM 227 C GLU A 17 7.491 12.396 -0.611 1.00 0.00 C ATOM 228 O GLU A 17 6.446 13.045 -0.627 1.00 0.00 O ATOM 229 CB GLU A 17 7.368 12.609 1.879 1.00 0.00 C ATOM 230 CG GLU A 17 7.913 12.205 3.239 1.00 0.00 C ATOM 231 CD GLU A 17 6.943 12.499 4.367 1.00 0.00 C ATOM 232 OE1 GLU A 17 5.894 11.825 4.439 1.00 0.00 O ATOM 233 OE2 GLU A 17 7.234 13.404 5.177 1.00 0.00 O ATOM 0 H GLU A 17 9.634 13.471 1.318 1.00 0.00 H new ATOM 0 HA GLU A 17 8.282 10.992 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.330 13.697 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.343 12.249 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.144 11.140 3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.849 12.733 3.423 1.00 0.00 H new ATOM 240 N ALA A 18 8.074 11.937 -1.713 1.00 0.00 N ATOM 241 CA ALA A 18 7.505 12.173 -3.034 1.00 0.00 C ATOM 242 C ALA A 18 6.518 11.074 -3.411 1.00 0.00 C ATOM 243 O ALA A 18 6.246 10.849 -4.591 1.00 0.00 O ATOM 244 CB ALA A 18 8.610 12.273 -4.075 1.00 0.00 C ATOM 0 H ALA A 18 8.941 11.399 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 18 6.962 13.118 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.170 12.449 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.275 13.099 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.178 11.343 -4.094 1.00 0.00 H new ATOM 250 N ARG A 19 5.986 10.391 -2.403 1.00 0.00 N ATOM 251 CA ARG A 19 5.031 9.313 -2.629 1.00 0.00 C ATOM 252 C ARG A 19 3.786 9.499 -1.766 1.00 0.00 C ATOM 253 O ARG A 19 3.800 9.218 -0.568 1.00 0.00 O ATOM 254 CB ARG A 19 5.676 7.959 -2.327 1.00 0.00 C ATOM 255 CG ARG A 19 6.835 7.618 -3.249 1.00 0.00 C ATOM 256 CD ARG A 19 6.359 6.894 -4.499 1.00 0.00 C ATOM 257 NE ARG A 19 5.764 7.810 -5.469 1.00 0.00 N ATOM 258 CZ ARG A 19 5.257 7.419 -6.633 1.00 0.00 C ATOM 259 NH1 ARG A 19 5.271 6.137 -6.969 1.00 0.00 N ATOM 260 NH2 ARG A 19 4.734 8.313 -7.463 1.00 0.00 N ATOM 0 H ARG A 19 6.200 10.565 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 19 4.733 9.340 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.030 7.956 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.918 7.179 -2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.356 8.532 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.553 6.994 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.199 6.374 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.628 6.135 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 19 5.736 8.804 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.672 5.447 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.881 5.840 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.721 9.300 -7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.345 8.013 -8.357 1.00 0.00 H new ATOM 274 N LYS A 20 2.711 9.976 -2.384 1.00 0.00 N ATOM 275 CA LYS A 20 1.457 10.200 -1.674 1.00 0.00 C ATOM 276 C LYS A 20 0.262 9.925 -2.581 1.00 0.00 C ATOM 277 O LYS A 20 0.388 9.916 -3.806 1.00 0.00 O ATOM 278 CB LYS A 20 1.393 11.637 -1.150 1.00 0.00 C ATOM 279 CG LYS A 20 2.057 11.820 0.203 1.00 0.00 C ATOM 280 CD LYS A 20 2.608 13.227 0.368 1.00 0.00 C ATOM 281 CE LYS A 20 2.699 13.622 1.834 1.00 0.00 C ATOM 282 NZ LYS A 20 3.995 13.209 2.440 1.00 0.00 N ATOM 0 H LYS A 20 2.683 10.215 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 20 1.418 9.510 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.870 12.300 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.349 11.942 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.335 11.616 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.865 11.097 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.596 13.288 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.969 13.934 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.582 14.702 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.878 13.164 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.106 13.667 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.009 12.176 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.777 13.496 1.817 1.00 0.00 H new ATOM 296 N CYS A 21 -0.898 9.703 -1.973 1.00 0.00 N ATOM 297 CA CYS A 21 -2.117 9.429 -2.725 1.00 0.00 C ATOM 298 C CYS A 21 -2.587 10.674 -3.472 1.00 0.00 C ATOM 299 O CYS A 21 -2.811 11.733 -2.885 1.00 0.00 O ATOM 300 CB CYS A 21 -3.220 8.937 -1.786 1.00 0.00 C ATOM 301 SG CYS A 21 -4.763 8.469 -2.634 1.00 0.00 S ATOM 0 H CYS A 21 -1.020 9.707 -0.960 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.897 8.651 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.850 8.078 -1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.440 9.719 -1.060 1.00 0.00 H new ATOM 306 N PRO A 22 -2.740 10.545 -4.798 1.00 0.00 N ATOM 307 CA PRO A 22 -3.185 11.648 -5.654 1.00 0.00 C ATOM 308 C PRO A 22 -4.649 12.009 -5.421 1.00 0.00 C ATOM 309 O PRO A 22 -5.114 13.065 -5.850 1.00 0.00 O ATOM 310 CB PRO A 22 -2.989 11.101 -7.070 1.00 0.00 C ATOM 311 CG PRO A 22 -3.068 9.621 -6.918 1.00 0.00 C ATOM 312 CD PRO A 22 -2.491 9.312 -5.564 1.00 0.00 C ATOM 0 HA PRO A 22 -2.631 12.565 -5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.758 11.471 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.027 11.406 -7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.099 9.276 -6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.507 9.117 -7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.977 8.450 -5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.427 9.084 -5.623 1.00 0.00 H new ATOM 320 N VAL A 23 -5.370 11.125 -4.739 1.00 0.00 N ATOM 321 CA VAL A 23 -6.780 11.351 -4.447 1.00 0.00 C ATOM 322 C VAL A 23 -6.965 11.948 -3.056 1.00 0.00 C ATOM 323 O VAL A 23 -7.859 12.765 -2.834 1.00 0.00 O ATOM 324 CB VAL A 23 -7.590 10.044 -4.545 1.00 0.00 C ATOM 325 CG1 VAL A 23 -9.057 10.301 -4.237 1.00 0.00 C ATOM 326 CG2 VAL A 23 -7.428 9.419 -5.922 1.00 0.00 C ATOM 0 H VAL A 23 -5.000 10.245 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.149 12.055 -5.193 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.205 9.342 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.613 9.367 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.152 10.701 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.458 11.020 -4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.007 8.497 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.785 10.114 -6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.376 9.197 -6.099 1.00 0.00 H new ATOM 336 N HIS A 24 -6.114 11.534 -2.123 1.00 0.00 N ATOM 337 CA HIS A 24 -6.183 12.028 -0.752 1.00 0.00 C ATOM 338 C HIS A 24 -5.004 12.948 -0.447 1.00 0.00 C ATOM 339 O HIS A 24 -5.182 14.051 0.068 1.00 0.00 O ATOM 340 CB HIS A 24 -6.202 10.860 0.234 1.00 0.00 C ATOM 341 CG HIS A 24 -7.478 10.076 0.208 1.00 0.00 C ATOM 342 ND1 HIS A 24 -7.668 8.974 -0.599 1.00 0.00 N ATOM 343 CD2 HIS A 24 -8.631 10.238 0.898 1.00 0.00 C ATOM 344 CE1 HIS A 24 -8.883 8.494 -0.405 1.00 0.00 C ATOM 345 NE2 HIS A 24 -9.488 9.243 0.499 1.00 0.00 N ATOM 0 H HIS A 24 -5.369 10.858 -2.291 1.00 0.00 H new ATOM 0 HA HIS A 24 -7.105 12.599 -0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.370 10.192 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.041 11.243 1.242 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.838 11.007 1.627 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.309 7.635 -0.901 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.438 9.105 0.844 1.00 0.00 H new ATOM 353 N GLY A 25 -3.800 12.485 -0.768 1.00 0.00 N ATOM 354 CA GLY A 25 -2.610 13.278 -0.519 1.00 0.00 C ATOM 355 C GLY A 25 -1.825 12.785 0.680 1.00 0.00 C ATOM 356 O GLY A 25 -1.044 13.532 1.270 1.00 0.00 O ATOM 0 H GLY A 25 -3.627 11.575 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.971 13.256 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.897 14.317 -0.359 1.00 0.00 H new ATOM 360 N LYS A 26 -2.032 11.524 1.043 1.00 0.00 N ATOM 361 CA LYS A 26 -1.338 10.931 2.180 1.00 0.00 C ATOM 362 C LYS A 26 -0.288 9.928 1.714 1.00 0.00 C ATOM 363 O LYS A 26 -0.519 9.159 0.780 1.00 0.00 O ATOM 364 CB LYS A 26 -2.339 10.243 3.112 1.00 0.00 C ATOM 365 CG LYS A 26 -3.404 11.177 3.657 1.00 0.00 C ATOM 366 CD LYS A 26 -2.818 12.179 4.637 1.00 0.00 C ATOM 367 CE LYS A 26 -3.876 12.706 5.595 1.00 0.00 C ATOM 368 NZ LYS A 26 -3.464 13.992 6.223 1.00 0.00 N ATOM 0 H LYS A 26 -2.675 10.892 0.566 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.834 11.730 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.823 9.428 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.798 9.796 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.880 11.708 2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.181 10.595 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.015 11.708 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.376 13.011 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.814 12.848 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.063 11.966 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.211 14.318 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.583 13.851 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.310 14.706 5.483 1.00 0.00 H new ATOM 382 N THR A 27 0.868 9.939 2.371 1.00 0.00 N ATOM 383 CA THR A 27 1.953 9.030 2.025 1.00 0.00 C ATOM 384 C THR A 27 1.471 7.584 1.993 1.00 0.00 C ATOM 385 O THR A 27 1.373 6.930 3.031 1.00 0.00 O ATOM 386 CB THR A 27 3.123 9.148 3.019 1.00 0.00 C ATOM 387 OG1 THR A 27 3.722 10.444 2.919 1.00 0.00 O ATOM 388 CG2 THR A 27 4.171 8.077 2.751 1.00 0.00 C ATOM 0 H THR A 27 1.076 10.568 3.146 1.00 0.00 H new ATOM 0 HA THR A 27 2.300 9.316 1.032 1.00 0.00 H new ATOM 0 HB THR A 27 2.731 9.006 4.026 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.427 10.532 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.988 8.180 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.719 7.091 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.558 8.192 1.738 1.00 0.00 H new ATOM 396 N MET A 28 1.171 7.091 0.796 1.00 0.00 N ATOM 397 CA MET A 28 0.700 5.721 0.631 1.00 0.00 C ATOM 398 C MET A 28 1.609 4.741 1.368 1.00 0.00 C ATOM 399 O MET A 28 2.781 4.592 1.025 1.00 0.00 O ATOM 400 CB MET A 28 0.636 5.356 -0.854 1.00 0.00 C ATOM 401 CG MET A 28 -0.351 6.201 -1.644 1.00 0.00 C ATOM 402 SD MET A 28 -0.512 5.660 -3.357 1.00 0.00 S ATOM 403 CE MET A 28 0.865 6.520 -4.114 1.00 0.00 C ATOM 0 H MET A 28 1.246 7.619 -0.073 1.00 0.00 H new ATOM 0 HA MET A 28 -0.301 5.654 1.058 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.629 5.467 -1.291 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.362 4.306 -0.950 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.327 6.160 -1.161 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.029 7.242 -1.624 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.294 5.899 -4.901 1.00 0.00 H new ATOM 0 HE2 MET A 28 0.516 7.459 -4.543 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.625 6.725 -3.360 1.00 0.00 H new ATOM 413 N GLU A 29 1.059 4.078 2.380 1.00 0.00 N ATOM 414 CA GLU A 29 1.822 3.114 3.164 1.00 0.00 C ATOM 415 C GLU A 29 1.185 1.729 3.093 1.00 0.00 C ATOM 416 O GLU A 29 1.281 0.940 4.034 1.00 0.00 O ATOM 417 CB GLU A 29 1.915 3.570 4.622 1.00 0.00 C ATOM 418 CG GLU A 29 2.186 5.057 4.778 1.00 0.00 C ATOM 419 CD GLU A 29 2.911 5.385 6.069 1.00 0.00 C ATOM 420 OE1 GLU A 29 4.155 5.282 6.093 1.00 0.00 O ATOM 421 OE2 GLU A 29 2.235 5.745 7.055 1.00 0.00 O ATOM 0 H GLU A 29 0.089 4.190 2.676 1.00 0.00 H new ATOM 0 HA GLU A 29 2.826 3.055 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.983 3.324 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.708 3.011 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.781 5.405 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.241 5.600 4.748 1.00 0.00 H new ATOM 428 N LEU A 30 0.535 1.440 1.971 1.00 0.00 N ATOM 429 CA LEU A 30 -0.119 0.151 1.776 1.00 0.00 C ATOM 430 C LEU A 30 0.018 -0.316 0.330 1.00 0.00 C ATOM 431 O LEU A 30 0.477 0.432 -0.533 1.00 0.00 O ATOM 432 CB LEU A 30 -1.598 0.244 2.156 1.00 0.00 C ATOM 433 CG LEU A 30 -1.907 0.928 3.488 1.00 0.00 C ATOM 434 CD1 LEU A 30 -3.259 1.622 3.430 1.00 0.00 C ATOM 435 CD2 LEU A 30 -1.872 -0.081 4.626 1.00 0.00 C ATOM 0 H LEU A 30 0.447 2.081 1.182 1.00 0.00 H new ATOM 0 HA LEU A 30 0.370 -0.578 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.123 0.780 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.009 -0.765 2.185 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.142 1.682 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.462 2.103 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.249 2.374 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.037 0.887 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.094 0.423 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.615 -0.858 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.881 -0.532 4.682 1.00 0.00 H new ATOM 447 N PHE A 31 -0.385 -1.556 0.074 1.00 0.00 N ATOM 448 CA PHE A 31 -0.308 -2.122 -1.268 1.00 0.00 C ATOM 449 C PHE A 31 -1.465 -3.084 -1.520 1.00 0.00 C ATOM 450 O PHE A 31 -1.640 -4.066 -0.798 1.00 0.00 O ATOM 451 CB PHE A 31 1.025 -2.849 -1.462 1.00 0.00 C ATOM 452 CG PHE A 31 1.172 -3.478 -2.818 1.00 0.00 C ATOM 453 CD1 PHE A 31 1.548 -2.716 -3.913 1.00 0.00 C ATOM 454 CD2 PHE A 31 0.936 -4.831 -2.998 1.00 0.00 C ATOM 455 CE1 PHE A 31 1.684 -3.292 -5.162 1.00 0.00 C ATOM 456 CE2 PHE A 31 1.071 -5.413 -4.244 1.00 0.00 C ATOM 457 CZ PHE A 31 1.446 -4.643 -5.327 1.00 0.00 C ATOM 0 H PHE A 31 -0.768 -2.188 0.777 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.376 -1.304 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.841 -2.143 -1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.123 -3.621 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.737 -1.660 -3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.643 -5.438 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.976 -2.687 -6.008 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.883 -6.469 -4.371 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.553 -5.096 -6.302 1.00 0.00 H new ATOM 467 N CYS A 32 -2.255 -2.794 -2.548 1.00 0.00 N ATOM 468 CA CYS A 32 -3.397 -3.630 -2.896 1.00 0.00 C ATOM 469 C CYS A 32 -2.939 -4.939 -3.534 1.00 0.00 C ATOM 470 O CYS A 32 -2.002 -4.957 -4.330 1.00 0.00 O ATOM 471 CB CYS A 32 -4.330 -2.884 -3.851 1.00 0.00 C ATOM 472 SG CYS A 32 -5.980 -3.638 -4.019 1.00 0.00 S ATOM 0 H CYS A 32 -2.125 -1.985 -3.155 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.938 -3.863 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.445 -1.858 -3.502 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.863 -2.835 -4.835 1.00 0.00 H new ATOM 477 N GLN A 33 -3.608 -6.030 -3.177 1.00 0.00 N ATOM 478 CA GLN A 33 -3.269 -7.343 -3.714 1.00 0.00 C ATOM 479 C GLN A 33 -4.129 -7.673 -4.929 1.00 0.00 C ATOM 480 O GLN A 33 -3.929 -8.695 -5.586 1.00 0.00 O ATOM 481 CB GLN A 33 -3.448 -8.418 -2.640 1.00 0.00 C ATOM 482 CG GLN A 33 -2.492 -8.273 -1.468 1.00 0.00 C ATOM 483 CD GLN A 33 -2.251 -9.583 -0.745 1.00 0.00 C ATOM 484 OE1 GLN A 33 -3.123 -10.452 -0.704 1.00 0.00 O ATOM 485 NE2 GLN A 33 -1.064 -9.733 -0.168 1.00 0.00 N ATOM 0 H GLN A 33 -4.387 -6.031 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.225 -7.322 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.472 -8.382 -2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.308 -9.399 -3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.541 -7.880 -1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.893 -7.543 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.371 -8.987 -0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.846 -10.594 0.334 1.00 0.00 H new ATOM 494 N THR A 34 -5.088 -6.800 -5.223 1.00 0.00 N ATOM 495 CA THR A 34 -5.980 -6.999 -6.359 1.00 0.00 C ATOM 496 C THR A 34 -5.387 -6.410 -7.634 1.00 0.00 C ATOM 497 O THR A 34 -5.285 -7.091 -8.654 1.00 0.00 O ATOM 498 CB THR A 34 -7.360 -6.363 -6.107 1.00 0.00 C ATOM 499 OG1 THR A 34 -8.058 -7.093 -5.091 1.00 0.00 O ATOM 500 CG2 THR A 34 -8.188 -6.344 -7.383 1.00 0.00 C ATOM 0 H THR A 34 -5.267 -5.949 -4.690 1.00 0.00 H new ATOM 0 HA THR A 34 -6.101 -8.075 -6.481 1.00 0.00 H new ATOM 0 HB THR A 34 -7.207 -5.336 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.005 -7.167 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.158 -5.890 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.668 -5.764 -8.145 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.332 -7.364 -7.739 1.00 0.00 H new ATOM 508 N ASP A 35 -4.995 -5.143 -7.568 1.00 0.00 N ATOM 509 CA ASP A 35 -4.410 -4.463 -8.717 1.00 0.00 C ATOM 510 C ASP A 35 -2.909 -4.268 -8.527 1.00 0.00 C ATOM 511 O ASP A 35 -2.258 -3.585 -9.317 1.00 0.00 O ATOM 512 CB ASP A 35 -5.089 -3.110 -8.937 1.00 0.00 C ATOM 513 CG ASP A 35 -5.594 -2.499 -7.644 1.00 0.00 C ATOM 514 OD1 ASP A 35 -4.756 -2.115 -6.803 1.00 0.00 O ATOM 515 OD2 ASP A 35 -6.828 -2.408 -7.474 1.00 0.00 O ATOM 0 H ASP A 35 -5.072 -4.566 -6.731 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.569 -5.087 -9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.384 -2.425 -9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.923 -3.233 -9.627 1.00 0.00 H new ATOM 520 N GLN A 36 -2.368 -4.871 -7.473 1.00 0.00 N ATOM 521 CA GLN A 36 -0.944 -4.762 -7.179 1.00 0.00 C ATOM 522 C GLN A 36 -0.470 -3.318 -7.311 1.00 0.00 C ATOM 523 O GLN A 36 0.519 -3.037 -7.989 1.00 0.00 O ATOM 524 CB GLN A 36 -0.137 -5.663 -8.115 1.00 0.00 C ATOM 525 CG GLN A 36 0.002 -7.092 -7.613 1.00 0.00 C ATOM 526 CD GLN A 36 -1.172 -7.966 -8.009 1.00 0.00 C ATOM 527 OE1 GLN A 36 -1.815 -7.736 -9.033 1.00 0.00 O ATOM 528 NE2 GLN A 36 -1.458 -8.976 -7.196 1.00 0.00 N ATOM 0 H GLN A 36 -2.894 -5.439 -6.809 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.786 -5.085 -6.150 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.614 -5.676 -9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.857 -5.236 -8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.921 -7.524 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.094 -7.084 -6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.898 -9.130 -6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.238 -9.598 -7.410 1.00 0.00 H new ATOM 537 N THR A 37 -1.182 -2.404 -6.658 1.00 0.00 N ATOM 538 CA THR A 37 -0.836 -0.990 -6.704 1.00 0.00 C ATOM 539 C THR A 37 -0.722 -0.406 -5.300 1.00 0.00 C ATOM 540 O THR A 37 -1.254 -0.965 -4.341 1.00 0.00 O ATOM 541 CB THR A 37 -1.877 -0.182 -7.501 1.00 0.00 C ATOM 542 OG1 THR A 37 -1.274 1.003 -8.035 1.00 0.00 O ATOM 543 CG2 THR A 37 -3.058 0.197 -6.621 1.00 0.00 C ATOM 0 H THR A 37 -2.002 -2.619 -6.091 1.00 0.00 H new ATOM 0 HA THR A 37 0.130 -0.917 -7.205 1.00 0.00 H new ATOM 0 HB THR A 37 -2.239 -0.805 -8.319 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.942 1.510 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.780 0.767 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.533 -0.707 -6.240 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.709 0.803 -5.785 1.00 0.00 H new ATOM 551 N CYS A 38 -0.028 0.721 -5.188 1.00 0.00 N ATOM 552 CA CYS A 38 0.155 1.381 -3.900 1.00 0.00 C ATOM 553 C CYS A 38 -1.007 2.324 -3.603 1.00 0.00 C ATOM 554 O CYS A 38 -1.474 3.046 -4.484 1.00 0.00 O ATOM 555 CB CYS A 38 1.473 2.156 -3.883 1.00 0.00 C ATOM 556 SG CYS A 38 2.931 1.140 -4.218 1.00 0.00 S ATOM 0 H CYS A 38 0.417 1.197 -5.973 1.00 0.00 H new ATOM 0 HA CYS A 38 0.184 0.613 -3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.422 2.955 -4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.590 2.631 -2.909 1.00 0.00 H new ATOM 0 HG CYS A 38 3.996 1.885 -4.184 1.00 0.00 H new ATOM 562 N ILE A 39 -1.469 2.310 -2.357 1.00 0.00 N ATOM 563 CA ILE A 39 -2.576 3.163 -1.944 1.00 0.00 C ATOM 564 C ILE A 39 -2.394 3.645 -0.509 1.00 0.00 C ATOM 565 O ILE A 39 -1.441 3.260 0.171 1.00 0.00 O ATOM 566 CB ILE A 39 -3.926 2.430 -2.059 1.00 0.00 C ATOM 567 CG1 ILE A 39 -3.841 1.053 -1.397 1.00 0.00 C ATOM 568 CG2 ILE A 39 -4.333 2.297 -3.519 1.00 0.00 C ATOM 569 CD1 ILE A 39 -5.177 0.528 -0.922 1.00 0.00 C ATOM 0 H ILE A 39 -1.094 1.717 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.579 4.021 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.686 3.015 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.412 0.344 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.159 1.108 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.289 1.777 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.428 3.288 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.574 1.730 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.041 -0.451 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.599 1.216 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.856 0.440 -1.770 1.00 0.00 H new ATOM 581 N CYS A 40 -3.313 4.488 -0.052 1.00 0.00 N ATOM 582 CA CYS A 40 -3.256 5.022 1.304 1.00 0.00 C ATOM 583 C CYS A 40 -4.312 4.369 2.191 1.00 0.00 C ATOM 584 O CYS A 40 -5.183 3.646 1.707 1.00 0.00 O ATOM 585 CB CYS A 40 -3.456 6.539 1.285 1.00 0.00 C ATOM 586 SG CYS A 40 -5.165 7.059 0.926 1.00 0.00 S ATOM 0 H CYS A 40 -4.107 4.817 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.272 4.797 1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.159 6.946 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.791 6.973 0.538 1.00 0.00 H new ATOM 591 N TYR A 41 -4.228 4.630 3.491 1.00 0.00 N ATOM 592 CA TYR A 41 -5.174 4.066 4.446 1.00 0.00 C ATOM 593 C TYR A 41 -6.601 4.489 4.113 1.00 0.00 C ATOM 594 O TYR A 41 -7.530 3.682 4.169 1.00 0.00 O ATOM 595 CB TYR A 41 -4.818 4.505 5.867 1.00 0.00 C ATOM 596 CG TYR A 41 -4.159 5.864 5.934 1.00 0.00 C ATOM 597 CD1 TYR A 41 -2.782 5.997 5.804 1.00 0.00 C ATOM 598 CD2 TYR A 41 -4.912 7.015 6.128 1.00 0.00 C ATOM 599 CE1 TYR A 41 -2.174 7.236 5.865 1.00 0.00 C ATOM 600 CE2 TYR A 41 -4.313 8.259 6.189 1.00 0.00 C ATOM 601 CZ TYR A 41 -2.944 8.364 6.057 1.00 0.00 C ATOM 602 OH TYR A 41 -2.344 9.601 6.118 1.00 0.00 O ATOM 0 H TYR A 41 -3.515 5.228 3.907 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.112 2.980 4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.725 4.520 6.471 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.152 3.765 6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.176 5.116 5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.984 6.936 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.102 7.321 5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.913 9.144 6.339 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.375 9.501 6.008 1.00 0.00 H new ATOM 612 N LEU A 42 -6.769 5.760 3.766 1.00 0.00 N ATOM 613 CA LEU A 42 -8.083 6.293 3.422 1.00 0.00 C ATOM 614 C LEU A 42 -8.646 5.598 2.187 1.00 0.00 C ATOM 615 O LEU A 42 -9.852 5.628 1.940 1.00 0.00 O ATOM 616 CB LEU A 42 -7.996 7.800 3.178 1.00 0.00 C ATOM 617 CG LEU A 42 -7.500 8.643 4.354 1.00 0.00 C ATOM 618 CD1 LEU A 42 -7.250 10.078 3.914 1.00 0.00 C ATOM 619 CD2 LEU A 42 -8.499 8.600 5.500 1.00 0.00 C ATOM 0 H LEU A 42 -6.012 6.441 3.715 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.755 6.105 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.335 7.973 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.984 8.159 2.891 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.557 8.223 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.898 10.663 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.496 10.091 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.177 10.509 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.129 9.205 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.458 8.994 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.627 7.570 5.833 1.00 0.00 H new ATOM 631 N CYS A 43 -7.766 4.970 1.414 1.00 0.00 N ATOM 632 CA CYS A 43 -8.174 4.265 0.205 1.00 0.00 C ATOM 633 C CYS A 43 -8.666 2.859 0.535 1.00 0.00 C ATOM 634 O CYS A 43 -9.757 2.461 0.127 1.00 0.00 O ATOM 635 CB CYS A 43 -7.010 4.191 -0.785 1.00 0.00 C ATOM 636 SG CYS A 43 -6.915 5.604 -1.930 1.00 0.00 S ATOM 0 H CYS A 43 -6.764 4.935 1.604 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.994 4.820 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.076 4.126 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.099 3.273 -1.365 1.00 0.00 H new ATOM 641 N MET A 44 -7.855 2.113 1.277 1.00 0.00 N ATOM 642 CA MET A 44 -8.208 0.752 1.663 1.00 0.00 C ATOM 643 C MET A 44 -9.558 0.722 2.372 1.00 0.00 C ATOM 644 O MET A 44 -10.156 -0.341 2.545 1.00 0.00 O ATOM 645 CB MET A 44 -7.129 0.160 2.571 1.00 0.00 C ATOM 646 CG MET A 44 -7.139 0.731 3.979 1.00 0.00 C ATOM 647 SD MET A 44 -6.594 -0.462 5.217 1.00 0.00 S ATOM 648 CE MET A 44 -5.040 -1.001 4.506 1.00 0.00 C ATOM 0 H MET A 44 -6.949 2.428 1.623 1.00 0.00 H new ATOM 0 HA MET A 44 -8.279 0.151 0.757 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.264 -0.920 2.625 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.151 0.337 2.123 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.492 1.608 4.016 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.147 1.067 4.223 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.015 -2.090 4.470 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.944 -0.602 3.496 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.214 -0.639 5.119 1.00 0.00 H new ATOM 658 N PHE A 45 -10.033 1.893 2.781 1.00 0.00 N ATOM 659 CA PHE A 45 -11.313 2.000 3.473 1.00 0.00 C ATOM 660 C PHE A 45 -12.434 2.336 2.494 1.00 0.00 C ATOM 661 O PHE A 45 -13.571 1.898 2.664 1.00 0.00 O ATOM 662 CB PHE A 45 -11.238 3.069 4.566 1.00 0.00 C ATOM 663 CG PHE A 45 -10.070 2.896 5.494 1.00 0.00 C ATOM 664 CD1 PHE A 45 -9.672 1.632 5.900 1.00 0.00 C ATOM 665 CD2 PHE A 45 -9.370 3.997 5.961 1.00 0.00 C ATOM 666 CE1 PHE A 45 -8.597 1.470 6.754 1.00 0.00 C ATOM 667 CE2 PHE A 45 -8.295 3.840 6.815 1.00 0.00 C ATOM 668 CZ PHE A 45 -7.908 2.575 7.213 1.00 0.00 C ATOM 0 H PHE A 45 -9.551 2.782 2.646 1.00 0.00 H new ATOM 0 HA PHE A 45 -11.532 1.036 3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.178 4.052 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.160 3.048 5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.208 0.764 5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.668 4.989 5.654 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.296 0.480 7.062 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.757 4.706 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.069 2.451 7.881 1.00 0.00 H new ATOM 678 N GLN A 46 -12.103 3.115 1.470 1.00 0.00 N ATOM 679 CA GLN A 46 -13.083 3.511 0.464 1.00 0.00 C ATOM 680 C GLN A 46 -12.703 2.967 -0.909 1.00 0.00 C ATOM 681 O GLN A 46 -13.304 2.009 -1.395 1.00 0.00 O ATOM 682 CB GLN A 46 -13.200 5.035 0.407 1.00 0.00 C ATOM 683 CG GLN A 46 -14.253 5.600 1.347 1.00 0.00 C ATOM 684 CD GLN A 46 -15.650 5.534 0.764 1.00 0.00 C ATOM 685 OE1 GLN A 46 -16.395 4.586 1.013 1.00 0.00 O ATOM 686 NE2 GLN A 46 -16.014 6.545 -0.017 1.00 0.00 N ATOM 0 H GLN A 46 -11.165 3.485 1.314 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.048 3.090 0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.233 5.475 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.438 5.335 -0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.229 5.049 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.009 6.637 1.579 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.364 7.310 -0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.943 6.556 -0.437 1.00 0.00 H new ATOM 695 N GLU A 47 -11.702 3.584 -1.529 1.00 0.00 N ATOM 696 CA GLU A 47 -11.244 3.162 -2.847 1.00 0.00 C ATOM 697 C GLU A 47 -11.151 1.641 -2.929 1.00 0.00 C ATOM 698 O GLU A 47 -11.828 1.008 -3.740 1.00 0.00 O ATOM 699 CB GLU A 47 -9.883 3.785 -3.163 1.00 0.00 C ATOM 700 CG GLU A 47 -9.977 5.159 -3.805 1.00 0.00 C ATOM 701 CD GLU A 47 -10.435 5.098 -5.250 1.00 0.00 C ATOM 702 OE1 GLU A 47 -9.736 4.464 -6.068 1.00 0.00 O ATOM 703 OE2 GLU A 47 -11.493 5.684 -5.561 1.00 0.00 O ATOM 0 H GLU A 47 -11.193 4.378 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.971 3.505 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.306 3.862 -2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.334 3.119 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.670 5.776 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.003 5.646 -3.757 1.00 0.00 H new ATOM 710 N HIS A 48 -10.306 1.059 -2.083 1.00 0.00 N ATOM 711 CA HIS A 48 -10.123 -0.387 -2.058 1.00 0.00 C ATOM 712 C HIS A 48 -10.590 -0.972 -0.728 1.00 0.00 C ATOM 713 O HIS A 48 -9.778 -1.312 0.132 1.00 0.00 O ATOM 714 CB HIS A 48 -8.655 -0.741 -2.296 1.00 0.00 C ATOM 715 CG HIS A 48 -8.031 0.020 -3.425 1.00 0.00 C ATOM 716 ND1 HIS A 48 -7.618 -0.576 -4.598 1.00 0.00 N ATOM 717 CD2 HIS A 48 -7.752 1.338 -3.557 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.110 0.341 -5.401 1.00 0.00 C ATOM 719 NE2 HIS A 48 -7.180 1.512 -4.793 1.00 0.00 N ATOM 0 H HIS A 48 -9.737 1.568 -1.406 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.727 -0.818 -2.856 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.091 -0.549 -1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.576 -1.809 -2.501 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.944 2.109 -2.826 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.706 0.164 -6.387 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.861 2.401 -5.179 1.00 0.00 H new ATOM 727 N LYS A 49 -11.904 -1.085 -0.566 1.00 0.00 N ATOM 728 CA LYS A 49 -12.480 -1.628 0.658 1.00 0.00 C ATOM 729 C LYS A 49 -12.867 -3.092 0.474 1.00 0.00 C ATOM 730 O LYS A 49 -12.851 -3.872 1.426 1.00 0.00 O ATOM 731 CB LYS A 49 -13.708 -0.814 1.073 1.00 0.00 C ATOM 732 CG LYS A 49 -14.406 -1.354 2.309 1.00 0.00 C ATOM 733 CD LYS A 49 -13.547 -1.191 3.551 1.00 0.00 C ATOM 734 CE LYS A 49 -13.823 -2.288 4.568 1.00 0.00 C ATOM 735 NZ LYS A 49 -14.912 -1.909 5.510 1.00 0.00 N ATOM 0 H LYS A 49 -12.590 -0.807 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.727 -1.565 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.405 0.216 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.417 -0.794 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.353 -0.833 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.641 -2.408 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.494 -1.210 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.740 -0.218 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.096 -3.206 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.913 -2.499 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.070 -2.682 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.641 -1.047 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.787 -1.732 4.976 1.00 0.00 H new ATOM 749 N ASN A 50 -13.211 -3.459 -0.756 1.00 0.00 N ATOM 750 CA ASN A 50 -13.600 -4.830 -1.064 1.00 0.00 C ATOM 751 C ASN A 50 -12.376 -5.687 -1.372 1.00 0.00 C ATOM 752 O ASN A 50 -12.315 -6.859 -0.998 1.00 0.00 O ATOM 753 CB ASN A 50 -14.565 -4.854 -2.251 1.00 0.00 C ATOM 754 CG ASN A 50 -16.014 -4.730 -1.821 1.00 0.00 C ATOM 755 OD1 ASN A 50 -16.869 -5.505 -2.250 1.00 0.00 O ATOM 756 ND2 ASN A 50 -16.296 -3.751 -0.969 1.00 0.00 N ATOM 0 H ASN A 50 -13.228 -2.826 -1.556 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.101 -5.244 -0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.320 -4.039 -2.932 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.432 -5.783 -2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -17.254 -3.618 -0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.555 -3.132 -0.640 1.00 0.00 H new ATOM 763 N HIS A 51 -11.402 -5.094 -2.056 1.00 0.00 N ATOM 764 CA HIS A 51 -10.179 -5.802 -2.414 1.00 0.00 C ATOM 765 C HIS A 51 -9.434 -6.265 -1.165 1.00 0.00 C ATOM 766 O HIS A 51 -9.922 -6.108 -0.046 1.00 0.00 O ATOM 767 CB HIS A 51 -9.273 -4.905 -3.258 1.00 0.00 C ATOM 768 CG HIS A 51 -9.861 -4.541 -4.586 1.00 0.00 C ATOM 769 ND1 HIS A 51 -9.396 -3.494 -5.354 1.00 0.00 N ATOM 770 CD2 HIS A 51 -10.882 -5.093 -5.284 1.00 0.00 C ATOM 771 CE1 HIS A 51 -10.107 -3.417 -6.465 1.00 0.00 C ATOM 772 NE2 HIS A 51 -11.014 -4.376 -6.447 1.00 0.00 N ATOM 0 H HIS A 51 -11.437 -4.125 -2.373 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.455 -6.680 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.059 -3.992 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.321 -5.411 -3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.481 -5.940 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.969 -2.692 -7.254 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.702 -4.555 -7.179 1.00 0.00 H new ATOM 780 N SER A 52 -8.251 -6.837 -1.365 1.00 0.00 N ATOM 781 CA SER A 52 -7.441 -7.327 -0.255 1.00 0.00 C ATOM 782 C SER A 52 -6.155 -6.517 -0.122 1.00 0.00 C ATOM 783 O SER A 52 -5.100 -6.918 -0.615 1.00 0.00 O ATOM 784 CB SER A 52 -7.107 -8.807 -0.455 1.00 0.00 C ATOM 785 OG SER A 52 -8.096 -9.636 0.130 1.00 0.00 O ATOM 0 H SER A 52 -7.832 -6.973 -2.285 1.00 0.00 H new ATOM 0 HA SER A 52 -8.018 -7.213 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.029 -9.025 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.135 -9.027 -0.013 1.00 0.00 H new ATOM 0 HG SER A 52 -7.861 -10.577 -0.013 1.00 0.00 H new ATOM 791 N THR A 53 -6.251 -5.373 0.549 1.00 0.00 N ATOM 792 CA THR A 53 -5.097 -4.505 0.747 1.00 0.00 C ATOM 793 C THR A 53 -4.234 -4.993 1.905 1.00 0.00 C ATOM 794 O THR A 53 -4.735 -5.594 2.855 1.00 0.00 O ATOM 795 CB THR A 53 -5.528 -3.051 1.020 1.00 0.00 C ATOM 796 OG1 THR A 53 -6.588 -3.027 1.982 1.00 0.00 O ATOM 797 CG2 THR A 53 -5.985 -2.372 -0.262 1.00 0.00 C ATOM 0 H THR A 53 -7.116 -5.026 0.964 1.00 0.00 H new ATOM 0 HA THR A 53 -4.516 -4.537 -0.174 1.00 0.00 H new ATOM 0 HB THR A 53 -4.668 -2.508 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.411 -2.711 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.284 -1.347 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.167 -2.366 -0.982 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.832 -2.916 -0.680 1.00 0.00 H new ATOM 805 N VAL A 54 -2.934 -4.730 1.819 1.00 0.00 N ATOM 806 CA VAL A 54 -2.001 -5.141 2.861 1.00 0.00 C ATOM 807 C VAL A 54 -0.869 -4.132 3.015 1.00 0.00 C ATOM 808 O VAL A 54 -0.442 -3.507 2.043 1.00 0.00 O ATOM 809 CB VAL A 54 -1.400 -6.527 2.562 1.00 0.00 C ATOM 810 CG1 VAL A 54 -2.486 -7.593 2.571 1.00 0.00 C ATOM 811 CG2 VAL A 54 -0.667 -6.514 1.229 1.00 0.00 C ATOM 0 H VAL A 54 -2.503 -4.234 1.039 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.568 -5.192 3.790 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.680 -6.768 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.043 -8.566 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.963 -7.618 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.231 -7.359 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.249 -7.502 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.364 -6.252 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.138 -5.780 1.263 1.00 0.00 H new ATOM 821 N THR A 55 -0.384 -3.976 4.243 1.00 0.00 N ATOM 822 CA THR A 55 0.699 -3.042 4.525 1.00 0.00 C ATOM 823 C THR A 55 1.904 -3.312 3.631 1.00 0.00 C ATOM 824 O THR A 55 2.386 -4.441 3.546 1.00 0.00 O ATOM 825 CB THR A 55 1.139 -3.121 5.999 1.00 0.00 C ATOM 826 OG1 THR A 55 1.231 -4.489 6.410 1.00 0.00 O ATOM 827 CG2 THR A 55 0.158 -2.382 6.897 1.00 0.00 C ATOM 0 H THR A 55 -0.725 -4.485 5.059 1.00 0.00 H new ATOM 0 HA THR A 55 0.316 -2.042 4.321 1.00 0.00 H new ATOM 0 HB THR A 55 2.117 -2.648 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.097 -4.643 6.842 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.490 -2.452 7.933 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.112 -1.334 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.831 -2.830 6.802 1.00 0.00 H new ATOM 835 N VAL A 56 2.388 -2.267 2.967 1.00 0.00 N ATOM 836 CA VAL A 56 3.539 -2.390 2.081 1.00 0.00 C ATOM 837 C VAL A 56 4.585 -3.333 2.667 1.00 0.00 C ATOM 838 O VAL A 56 5.052 -4.252 1.995 1.00 0.00 O ATOM 839 CB VAL A 56 4.191 -1.021 1.813 1.00 0.00 C ATOM 840 CG1 VAL A 56 5.442 -1.182 0.964 1.00 0.00 C ATOM 841 CG2 VAL A 56 3.199 -0.081 1.143 1.00 0.00 C ATOM 0 H VAL A 56 2.000 -1.325 3.026 1.00 0.00 H new ATOM 0 HA VAL A 56 3.171 -2.799 1.140 1.00 0.00 H new ATOM 0 HB VAL A 56 4.483 -0.584 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.889 -0.204 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.157 -1.817 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.178 -1.640 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.676 0.882 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.874 -0.510 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.335 0.059 1.793 1.00 0.00 H new ATOM 851 N GLU A 57 4.947 -3.097 3.924 1.00 0.00 N ATOM 852 CA GLU A 57 5.939 -3.926 4.600 1.00 0.00 C ATOM 853 C GLU A 57 5.595 -5.406 4.463 1.00 0.00 C ATOM 854 O GLU A 57 6.449 -6.222 4.116 1.00 0.00 O ATOM 855 CB GLU A 57 6.029 -3.547 6.080 1.00 0.00 C ATOM 856 CG GLU A 57 6.785 -2.252 6.331 1.00 0.00 C ATOM 857 CD GLU A 57 6.845 -1.889 7.802 1.00 0.00 C ATOM 858 OE1 GLU A 57 6.770 -2.807 8.645 1.00 0.00 O ATOM 859 OE2 GLU A 57 6.967 -0.684 8.110 1.00 0.00 O ATOM 0 H GLU A 57 4.569 -2.340 4.494 1.00 0.00 H new ATOM 0 HA GLU A 57 6.905 -3.750 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.021 -3.454 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.518 -4.355 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.799 -2.346 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.306 -1.443 5.780 1.00 0.00 H new ATOM 866 N GLU A 58 4.340 -5.745 4.740 1.00 0.00 N ATOM 867 CA GLU A 58 3.884 -7.127 4.649 1.00 0.00 C ATOM 868 C GLU A 58 4.121 -7.687 3.249 1.00 0.00 C ATOM 869 O GLU A 58 4.597 -8.811 3.092 1.00 0.00 O ATOM 870 CB GLU A 58 2.398 -7.222 5.003 1.00 0.00 C ATOM 871 CG GLU A 58 2.001 -8.558 5.606 1.00 0.00 C ATOM 872 CD GLU A 58 2.169 -8.592 7.113 1.00 0.00 C ATOM 873 OE1 GLU A 58 1.254 -8.121 7.821 1.00 0.00 O ATOM 874 OE2 GLU A 58 3.214 -9.088 7.583 1.00 0.00 O ATOM 0 H GLU A 58 3.621 -5.082 5.029 1.00 0.00 H new ATOM 0 HA GLU A 58 4.458 -7.720 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.149 -6.427 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.807 -7.049 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.962 -8.771 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.605 -9.348 5.159 1.00 0.00 H new ATOM 881 N ALA A 59 3.785 -6.895 2.237 1.00 0.00 N ATOM 882 CA ALA A 59 3.963 -7.310 0.851 1.00 0.00 C ATOM 883 C ALA A 59 5.435 -7.553 0.535 1.00 0.00 C ATOM 884 O ALA A 59 5.792 -8.568 -0.065 1.00 0.00 O ATOM 885 CB ALA A 59 3.385 -6.264 -0.092 1.00 0.00 C ATOM 0 H ALA A 59 3.388 -5.962 2.351 1.00 0.00 H new ATOM 0 HA ALA A 59 3.428 -8.249 0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.525 -6.587 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.321 -6.142 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.895 -5.313 0.063 1.00 0.00 H new ATOM 891 N LYS A 60 6.285 -6.617 0.941 1.00 0.00 N ATOM 892 CA LYS A 60 7.719 -6.729 0.702 1.00 0.00 C ATOM 893 C LYS A 60 8.230 -8.111 1.098 1.00 0.00 C ATOM 894 O LYS A 60 8.880 -8.793 0.307 1.00 0.00 O ATOM 895 CB LYS A 60 8.473 -5.651 1.484 1.00 0.00 C ATOM 896 CG LYS A 60 8.083 -4.235 1.098 1.00 0.00 C ATOM 897 CD LYS A 60 9.240 -3.268 1.283 1.00 0.00 C ATOM 898 CE LYS A 60 9.478 -2.958 2.753 1.00 0.00 C ATOM 899 NZ LYS A 60 10.166 -1.650 2.940 1.00 0.00 N ATOM 0 H LYS A 60 6.006 -5.771 1.438 1.00 0.00 H new ATOM 0 HA LYS A 60 7.897 -6.587 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.290 -5.792 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.544 -5.780 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.756 -4.217 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.237 -3.912 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.145 -3.694 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.033 -2.344 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.524 -2.945 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.078 -3.751 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.310 -1.475 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.087 -1.670 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.582 -0.890 2.537 1.00 0.00 H new ATOM 913 N ALA A 61 7.931 -8.517 2.328 1.00 0.00 N ATOM 914 CA ALA A 61 8.357 -9.818 2.827 1.00 0.00 C ATOM 915 C ALA A 61 8.120 -10.909 1.789 1.00 0.00 C ATOM 916 O ALA A 61 9.002 -11.723 1.517 1.00 0.00 O ATOM 917 CB ALA A 61 7.630 -10.151 4.121 1.00 0.00 C ATOM 0 H ALA A 61 7.395 -7.963 2.997 1.00 0.00 H new ATOM 0 HA ALA A 61 9.427 -9.770 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.958 -11.126 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.855 -9.392 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.556 -10.174 3.939 1.00 0.00 H new ATOM 923 N GLU A 62 6.922 -10.921 1.212 1.00 0.00 N ATOM 924 CA GLU A 62 6.569 -11.914 0.205 1.00 0.00 C ATOM 925 C GLU A 62 7.664 -12.030 -0.851 1.00 0.00 C ATOM 926 O GLU A 62 8.205 -13.111 -1.085 1.00 0.00 O ATOM 927 CB GLU A 62 5.240 -11.549 -0.460 1.00 0.00 C ATOM 928 CG GLU A 62 4.751 -12.588 -1.455 1.00 0.00 C ATOM 929 CD GLU A 62 4.348 -13.889 -0.788 1.00 0.00 C ATOM 930 OE1 GLU A 62 5.244 -14.603 -0.290 1.00 0.00 O ATOM 931 OE2 GLU A 62 3.137 -14.193 -0.764 1.00 0.00 O ATOM 0 H GLU A 62 6.180 -10.254 1.425 1.00 0.00 H new ATOM 0 HA GLU A 62 6.465 -12.878 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.483 -11.413 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.350 -10.592 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.900 -12.187 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.537 -12.786 -2.184 1.00 0.00 H new ATOM 938 N LYS A 63 7.985 -10.909 -1.488 1.00 0.00 N ATOM 939 CA LYS A 63 9.015 -10.882 -2.519 1.00 0.00 C ATOM 940 C LYS A 63 10.361 -11.328 -1.956 1.00 0.00 C ATOM 941 O LYS A 63 11.022 -12.198 -2.521 1.00 0.00 O ATOM 942 CB LYS A 63 9.139 -9.476 -3.110 1.00 0.00 C ATOM 943 CG LYS A 63 9.907 -9.431 -4.419 1.00 0.00 C ATOM 944 CD LYS A 63 10.376 -8.022 -4.743 1.00 0.00 C ATOM 945 CE LYS A 63 10.736 -7.879 -6.214 1.00 0.00 C ATOM 946 NZ LYS A 63 11.628 -6.711 -6.455 1.00 0.00 N ATOM 0 H LYS A 63 7.546 -10.006 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 63 8.722 -11.576 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.141 -9.069 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.634 -8.829 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.768 -10.097 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.274 -9.799 -5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.592 -7.309 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.243 -7.776 -4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.228 -8.789 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.825 -7.768 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.851 -6.648 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.149 -5.840 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.508 -6.829 -5.914 1.00 0.00 H new ATOM 960 N GLU A 64 10.758 -10.727 -0.839 1.00 0.00 N ATOM 961 CA GLU A 64 12.025 -11.064 -0.200 1.00 0.00 C ATOM 962 C GLU A 64 12.101 -12.558 0.103 1.00 0.00 C ATOM 963 O GLU A 64 11.081 -13.213 0.319 1.00 0.00 O ATOM 964 CB GLU A 64 12.200 -10.261 1.091 1.00 0.00 C ATOM 965 CG GLU A 64 13.506 -10.546 1.812 1.00 0.00 C ATOM 966 CD GLU A 64 14.718 -10.072 1.034 1.00 0.00 C ATOM 967 OE1 GLU A 64 14.977 -10.624 -0.056 1.00 0.00 O ATOM 968 OE2 GLU A 64 15.408 -9.149 1.515 1.00 0.00 O ATOM 0 H GLU A 64 10.221 -10.005 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 64 12.830 -10.809 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.148 -9.198 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.369 -10.481 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.492 -10.059 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.591 -11.618 1.992 1.00 0.00 H new ATOM 975 N THR A 65 13.319 -13.092 0.116 1.00 0.00 N ATOM 976 CA THR A 65 13.529 -14.508 0.390 1.00 0.00 C ATOM 977 C THR A 65 14.003 -14.726 1.822 1.00 0.00 C ATOM 978 O THR A 65 14.941 -14.074 2.281 1.00 0.00 O ATOM 979 CB THR A 65 14.559 -15.120 -0.578 1.00 0.00 C ATOM 980 OG1 THR A 65 15.793 -14.398 -0.502 1.00 0.00 O ATOM 981 CG2 THR A 65 14.039 -15.095 -2.008 1.00 0.00 C ATOM 0 H THR A 65 14.174 -12.565 -0.060 1.00 0.00 H new ATOM 0 HA THR A 65 12.569 -15.004 0.248 1.00 0.00 H new ATOM 0 HB THR A 65 14.727 -16.157 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.896 -14.020 0.396 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.783 -15.532 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.115 -15.670 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.846 -14.065 -2.307 1.00 0.00 H new ATOM 989 N GLU A 66 13.350 -15.647 2.523 1.00 0.00 N ATOM 990 CA GLU A 66 13.706 -15.950 3.904 1.00 0.00 C ATOM 991 C GLU A 66 13.655 -17.453 4.162 1.00 0.00 C ATOM 992 O GLU A 66 12.798 -18.157 3.628 1.00 0.00 O ATOM 993 CB GLU A 66 12.766 -15.224 4.868 1.00 0.00 C ATOM 994 CG GLU A 66 13.067 -15.495 6.333 1.00 0.00 C ATOM 995 CD GLU A 66 11.863 -15.271 7.227 1.00 0.00 C ATOM 996 OE1 GLU A 66 11.297 -14.158 7.191 1.00 0.00 O ATOM 997 OE2 GLU A 66 11.488 -16.207 7.963 1.00 0.00 O ATOM 0 H GLU A 66 12.572 -16.196 2.158 1.00 0.00 H new ATOM 0 HA GLU A 66 14.726 -15.604 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.830 -14.151 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.740 -15.523 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.412 -16.523 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.882 -14.848 6.658 1.00 0.00 H new ATOM 1004 N SER A 67 14.579 -17.939 4.985 1.00 0.00 N ATOM 1005 CA SER A 67 14.642 -19.359 5.311 1.00 0.00 C ATOM 1006 C SER A 67 13.251 -19.910 5.609 1.00 0.00 C ATOM 1007 O SER A 67 12.492 -19.327 6.381 1.00 0.00 O ATOM 1008 CB SER A 67 15.562 -19.587 6.513 1.00 0.00 C ATOM 1009 OG SER A 67 15.406 -20.896 7.032 1.00 0.00 O ATOM 0 H SER A 67 15.294 -17.370 5.438 1.00 0.00 H new ATOM 0 HA SER A 67 15.046 -19.888 4.448 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.599 -19.431 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.339 -18.855 7.290 1.00 0.00 H new ATOM 0 HG SER A 67 16.005 -21.018 7.798 1.00 0.00 H new ATOM 1015 N GLY A 68 12.924 -21.040 4.988 1.00 0.00 N ATOM 1016 CA GLY A 68 11.626 -21.653 5.198 1.00 0.00 C ATOM 1017 C GLY A 68 11.030 -22.202 3.917 1.00 0.00 C ATOM 1018 O GLY A 68 11.730 -22.435 2.932 1.00 0.00 O ATOM 0 H GLY A 68 13.535 -21.541 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.722 -22.459 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.945 -20.917 5.626 1.00 0.00 H new ATOM 1022 N PRO A 69 9.706 -22.418 3.921 1.00 0.00 N ATOM 1023 CA PRO A 69 8.987 -22.946 2.758 1.00 0.00 C ATOM 1024 C PRO A 69 8.918 -21.942 1.613 1.00 0.00 C ATOM 1025 O PRO A 69 8.407 -22.248 0.536 1.00 0.00 O ATOM 1026 CB PRO A 69 7.585 -23.229 3.306 1.00 0.00 C ATOM 1027 CG PRO A 69 7.437 -22.301 4.462 1.00 0.00 C ATOM 1028 CD PRO A 69 8.809 -22.162 5.060 1.00 0.00 C ATOM 0 HA PRO A 69 9.481 -23.822 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.820 -23.046 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.484 -24.269 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.052 -21.334 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.731 -22.697 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.966 -21.168 5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.970 -22.877 5.867 1.00 0.00 H new ATOM 1036 N SER A 70 9.438 -20.742 1.852 1.00 0.00 N ATOM 1037 CA SER A 70 9.433 -19.691 0.841 1.00 0.00 C ATOM 1038 C SER A 70 10.447 -19.990 -0.258 1.00 0.00 C ATOM 1039 O SER A 70 11.649 -20.065 -0.006 1.00 0.00 O ATOM 1040 CB SER A 70 9.742 -18.337 1.482 1.00 0.00 C ATOM 1041 OG SER A 70 8.558 -17.704 1.935 1.00 0.00 O ATOM 0 H SER A 70 9.868 -20.474 2.737 1.00 0.00 H new ATOM 0 HA SER A 70 8.440 -19.655 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.427 -18.475 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.247 -17.696 0.759 1.00 0.00 H new ATOM 0 HG SER A 70 8.783 -16.841 2.342 1.00 0.00 H new ATOM 1047 N SER A 71 9.952 -20.161 -1.480 1.00 0.00 N ATOM 1048 CA SER A 71 10.814 -20.456 -2.619 1.00 0.00 C ATOM 1049 C SER A 71 11.579 -19.211 -3.059 1.00 0.00 C ATOM 1050 O SER A 71 11.109 -18.087 -2.886 1.00 0.00 O ATOM 1051 CB SER A 71 9.985 -20.998 -3.786 1.00 0.00 C ATOM 1052 OG SER A 71 9.269 -19.958 -4.428 1.00 0.00 O ATOM 0 H SER A 71 8.959 -20.100 -1.707 1.00 0.00 H new ATOM 0 HA SER A 71 11.534 -21.214 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.641 -21.490 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.288 -21.753 -3.422 1.00 0.00 H new ATOM 0 HG SER A 71 8.749 -20.329 -5.171 1.00 0.00 H new ATOM 1058 N GLY A 72 12.762 -19.421 -3.628 1.00 0.00 N ATOM 1059 CA GLY A 72 13.574 -18.308 -4.084 1.00 0.00 C ATOM 1060 C GLY A 72 14.997 -18.378 -3.566 1.00 0.00 C ATOM 1061 O GLY A 72 15.281 -19.212 -2.708 1.00 0.00 O ATOM 0 H GLY A 72 13.173 -20.342 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.588 -18.295 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.118 -17.373 -3.759 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 200 -6.193 7.623 -1.044 1.00 0.00 ZN HETATM 1067 ZN ZN A 400 -7.602 -2.508 -5.265 1.00 0.00 ZN