USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 Single : A 1 GLY N :NH3+ 130:sc= 0.0434 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.123 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.66) USER MOD Single : A 12 SER OG : rot 63:sc= 0.0384 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.212 (180deg=-0.984) USER MOD Single : A 19 GLN : amide:sc= -1.39 K(o=-1.4,f=-3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0884 X(o=-0.088,f=-0.23) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.084) USER MOD Single : A 38 GLN : amide:sc= 0.848 K(o=0.85,f=-0.91) USER MOD Single : A 46 GLN : amide:sc= -0.0063 X(o=-0.0063,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.416 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.100 20.266 3.445 1.00 0.00 N ATOM 2 CA GLY A 1 -11.392 20.522 2.202 1.00 0.00 C ATOM 3 C GLY A 1 -11.983 19.698 1.056 1.00 0.00 C ATOM 4 O GLY A 1 -12.495 18.601 1.274 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.415 20.052 4.197 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.652 21.107 3.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.740 19.456 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.448 21.583 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.337 20.278 2.323 1.00 0.00 H new ATOM 8 N SER A 2 -11.892 20.259 -0.141 1.00 0.00 N ATOM 9 CA SER A 2 -12.411 19.591 -1.322 1.00 0.00 C ATOM 10 C SER A 2 -11.958 20.329 -2.583 1.00 0.00 C ATOM 11 O SER A 2 -11.776 21.545 -2.563 1.00 0.00 O ATOM 12 CB SER A 2 -13.938 19.502 -1.279 1.00 0.00 C ATOM 13 OG SER A 2 -14.544 20.787 -1.169 1.00 0.00 O ATOM 0 H SER A 2 -11.466 21.169 -0.318 1.00 0.00 H new ATOM 0 HA SER A 2 -12.015 18.576 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.298 19.007 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.242 18.884 -0.434 1.00 0.00 H new ATOM 0 HG SER A 2 -15.519 20.688 -1.146 1.00 0.00 H new ATOM 19 N SER A 3 -11.787 19.562 -3.650 1.00 0.00 N ATOM 20 CA SER A 3 -11.359 20.128 -4.918 1.00 0.00 C ATOM 21 C SER A 3 -11.861 19.262 -6.075 1.00 0.00 C ATOM 22 O SER A 3 -12.617 19.732 -6.924 1.00 0.00 O ATOM 23 CB SER A 3 -9.835 20.259 -4.976 1.00 0.00 C ATOM 24 OG SER A 3 -9.314 20.934 -3.834 1.00 0.00 O ATOM 0 H SER A 3 -11.937 18.553 -3.662 1.00 0.00 H new ATOM 0 HA SER A 3 -11.787 21.126 -5.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.388 19.267 -5.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.552 20.801 -5.878 1.00 0.00 H new ATOM 0 HG SER A 3 -8.339 20.996 -3.908 1.00 0.00 H new ATOM 30 N GLY A 4 -11.421 18.012 -6.070 1.00 0.00 N ATOM 31 CA GLY A 4 -11.817 17.076 -7.109 1.00 0.00 C ATOM 32 C GLY A 4 -11.043 15.762 -6.986 1.00 0.00 C ATOM 33 O GLY A 4 -10.859 15.246 -5.885 1.00 0.00 O ATOM 0 H GLY A 4 -10.795 17.626 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.887 16.880 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.638 17.518 -8.089 1.00 0.00 H new ATOM 37 N SER A 5 -10.611 15.258 -8.133 1.00 0.00 N ATOM 38 CA SER A 5 -9.861 14.013 -8.167 1.00 0.00 C ATOM 39 C SER A 5 -9.084 13.907 -9.481 1.00 0.00 C ATOM 40 O SER A 5 -9.513 14.439 -10.504 1.00 0.00 O ATOM 41 CB SER A 5 -10.787 12.807 -7.999 1.00 0.00 C ATOM 42 OG SER A 5 -10.062 11.584 -7.919 1.00 0.00 O ATOM 0 H SER A 5 -10.766 15.688 -9.045 1.00 0.00 H new ATOM 0 HA SER A 5 -9.157 14.014 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.386 12.933 -7.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.481 12.763 -8.839 1.00 0.00 H new ATOM 0 HG SER A 5 -10.689 10.839 -7.810 1.00 0.00 H new ATOM 48 N SER A 6 -7.956 13.217 -9.410 1.00 0.00 N ATOM 49 CA SER A 6 -7.116 13.034 -10.581 1.00 0.00 C ATOM 50 C SER A 6 -7.258 11.605 -11.110 1.00 0.00 C ATOM 51 O SER A 6 -7.786 10.734 -10.420 1.00 0.00 O ATOM 52 CB SER A 6 -5.651 13.338 -10.261 1.00 0.00 C ATOM 53 OG SER A 6 -5.086 12.373 -9.377 1.00 0.00 O ATOM 0 H SER A 6 -7.604 12.778 -8.560 1.00 0.00 H new ATOM 0 HA SER A 6 -7.445 13.733 -11.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.075 13.363 -11.186 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.576 14.329 -9.812 1.00 0.00 H new ATOM 0 HG SER A 6 -4.150 12.601 -9.199 1.00 0.00 H new ATOM 59 N GLY A 7 -6.777 11.408 -12.328 1.00 0.00 N ATOM 60 CA GLY A 7 -6.843 10.100 -12.957 1.00 0.00 C ATOM 61 C GLY A 7 -8.269 9.782 -13.412 1.00 0.00 C ATOM 62 O GLY A 7 -9.232 10.321 -12.869 1.00 0.00 O ATOM 0 H GLY A 7 -6.339 12.133 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.169 10.070 -13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.503 9.338 -12.256 1.00 0.00 H new ATOM 66 N TRP A 8 -8.359 8.907 -14.403 1.00 0.00 N ATOM 67 CA TRP A 8 -9.651 8.511 -14.937 1.00 0.00 C ATOM 68 C TRP A 8 -9.984 7.123 -14.387 1.00 0.00 C ATOM 69 O TRP A 8 -9.586 6.111 -14.963 1.00 0.00 O ATOM 70 CB TRP A 8 -9.653 8.566 -16.466 1.00 0.00 C ATOM 71 CG TRP A 8 -10.744 9.461 -17.055 1.00 0.00 C ATOM 72 CD1 TRP A 8 -12.014 9.138 -17.338 1.00 0.00 C ATOM 73 CD2 TRP A 8 -10.610 10.849 -17.426 1.00 0.00 C ATOM 74 NE1 TRP A 8 -12.705 10.211 -17.861 1.00 0.00 N ATOM 75 CE2 TRP A 8 -11.824 11.285 -17.916 1.00 0.00 C ATOM 76 CE3 TRP A 8 -9.500 11.708 -17.350 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -12.044 12.592 -18.368 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -9.736 13.011 -17.805 1.00 0.00 C ATOM 79 CH2 TRP A 8 -10.952 13.466 -18.302 1.00 0.00 C ATOM 0 H TRP A 8 -7.558 8.461 -14.850 1.00 0.00 H new ATOM 0 HA TRP A 8 -10.429 9.206 -14.621 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -8.681 8.922 -16.808 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -9.777 7.556 -16.855 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -12.442 8.160 -17.177 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -13.682 10.216 -18.153 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -8.541 11.388 -16.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -13.004 12.909 -18.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -8.915 13.712 -17.767 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -11.054 14.488 -18.635 1.00 0.00 H new ATOM 90 N GLN A 9 -10.712 7.118 -13.280 1.00 0.00 N ATOM 91 CA GLN A 9 -11.103 5.870 -12.647 1.00 0.00 C ATOM 92 C GLN A 9 -12.143 5.144 -13.502 1.00 0.00 C ATOM 93 O GLN A 9 -13.314 5.522 -13.516 1.00 0.00 O ATOM 94 CB GLN A 9 -11.631 6.115 -11.232 1.00 0.00 C ATOM 95 CG GLN A 9 -11.278 4.950 -10.305 1.00 0.00 C ATOM 96 CD GLN A 9 -12.093 3.704 -10.657 1.00 0.00 C ATOM 97 OE1 GLN A 9 -13.293 3.756 -10.873 1.00 0.00 O ATOM 98 NE2 GLN A 9 -11.377 2.584 -10.703 1.00 0.00 N ATOM 0 H GLN A 9 -11.041 7.959 -12.805 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.221 5.235 -12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.209 7.039 -10.837 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.713 6.246 -11.261 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.214 4.727 -10.384 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -11.469 5.233 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.375 2.611 -10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.829 1.698 -10.930 1.00 0.00 H new ATOM 107 N GLY A 10 -11.679 4.115 -14.195 1.00 0.00 N ATOM 108 CA GLY A 10 -12.554 3.332 -15.050 1.00 0.00 C ATOM 109 C GLY A 10 -11.745 2.460 -16.012 1.00 0.00 C ATOM 110 O GLY A 10 -11.841 1.234 -15.974 1.00 0.00 O ATOM 0 H GLY A 10 -10.707 3.805 -14.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.198 2.702 -14.437 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.205 3.998 -15.617 1.00 0.00 H new ATOM 114 N LEU A 11 -10.965 3.126 -16.851 1.00 0.00 N ATOM 115 CA LEU A 11 -10.140 2.426 -17.821 1.00 0.00 C ATOM 116 C LEU A 11 -8.943 1.797 -17.106 1.00 0.00 C ATOM 117 O LEU A 11 -7.858 2.376 -17.076 1.00 0.00 O ATOM 118 CB LEU A 11 -9.749 3.363 -18.966 1.00 0.00 C ATOM 119 CG LEU A 11 -10.888 3.813 -19.883 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.448 4.977 -20.773 1.00 0.00 C ATOM 121 CD2 LEU A 11 -11.430 2.640 -20.701 1.00 0.00 C ATOM 0 H LEU A 11 -10.887 4.143 -16.879 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.700 1.613 -18.282 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.281 4.250 -18.539 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.994 2.865 -19.575 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.705 4.175 -19.259 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.276 5.277 -21.415 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.148 5.819 -20.149 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.605 4.665 -21.390 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.238 2.988 -21.344 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.631 2.225 -21.315 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.807 1.870 -20.028 1.00 0.00 H new ATOM 133 N SER A 12 -9.181 0.619 -16.547 1.00 0.00 N ATOM 134 CA SER A 12 -8.136 -0.095 -15.833 1.00 0.00 C ATOM 135 C SER A 12 -8.683 -1.415 -15.288 1.00 0.00 C ATOM 136 O SER A 12 -9.618 -1.421 -14.488 1.00 0.00 O ATOM 137 CB SER A 12 -7.566 0.754 -14.695 1.00 0.00 C ATOM 138 OG SER A 12 -6.205 1.109 -14.924 1.00 0.00 O ATOM 0 H SER A 12 -10.082 0.142 -16.574 1.00 0.00 H new ATOM 0 HA SER A 12 -7.327 -0.305 -16.532 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.163 1.659 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.644 0.203 -13.758 1.00 0.00 H new ATOM 0 HG SER A 12 -6.142 1.660 -15.732 1.00 0.00 H new ATOM 144 N SER A 13 -8.078 -2.503 -15.742 1.00 0.00 N ATOM 145 CA SER A 13 -8.494 -3.827 -15.309 1.00 0.00 C ATOM 146 C SER A 13 -7.923 -4.127 -13.922 1.00 0.00 C ATOM 147 O SER A 13 -8.672 -4.282 -12.959 1.00 0.00 O ATOM 148 CB SER A 13 -8.051 -4.897 -16.308 1.00 0.00 C ATOM 149 OG SER A 13 -9.095 -5.249 -17.212 1.00 0.00 O ATOM 0 H SER A 13 -7.303 -2.495 -16.405 1.00 0.00 H new ATOM 0 HA SER A 13 -9.583 -3.844 -15.258 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.191 -4.534 -16.871 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.725 -5.785 -15.767 1.00 0.00 H new ATOM 0 HG SER A 13 -8.772 -5.933 -17.834 1.00 0.00 H new ATOM 155 N LYS A 14 -6.601 -4.200 -13.864 1.00 0.00 N ATOM 156 CA LYS A 14 -5.921 -4.478 -12.611 1.00 0.00 C ATOM 157 C LYS A 14 -6.256 -5.901 -12.159 1.00 0.00 C ATOM 158 O LYS A 14 -7.042 -6.592 -12.805 1.00 0.00 O ATOM 159 CB LYS A 14 -6.256 -3.408 -11.570 1.00 0.00 C ATOM 160 CG LYS A 14 -5.523 -2.100 -11.874 1.00 0.00 C ATOM 161 CD LYS A 14 -6.437 -0.894 -11.650 1.00 0.00 C ATOM 162 CE LYS A 14 -6.430 -0.465 -10.181 1.00 0.00 C ATOM 163 NZ LYS A 14 -7.188 -1.430 -9.355 1.00 0.00 N ATOM 0 H LYS A 14 -5.983 -4.071 -14.665 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.840 -4.431 -12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.332 -3.232 -11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.979 -3.762 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.642 -2.016 -11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.171 -2.107 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.110 -0.064 -12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.454 -1.142 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.403 -0.397 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.868 0.528 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.465 -0.979 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.040 -1.732 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.592 -2.259 -9.155 1.00 0.00 H new ATOM 177 N GLY A 15 -5.644 -6.296 -11.053 1.00 0.00 N ATOM 178 CA GLY A 15 -5.867 -7.624 -10.507 1.00 0.00 C ATOM 179 C GLY A 15 -4.541 -8.308 -10.168 1.00 0.00 C ATOM 180 O GLY A 15 -3.512 -8.008 -10.770 1.00 0.00 O ATOM 0 H GLY A 15 -4.993 -5.719 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.483 -7.554 -9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.419 -8.229 -11.227 1.00 0.00 H new ATOM 184 N ASP A 16 -4.609 -9.215 -9.204 1.00 0.00 N ATOM 185 CA ASP A 16 -3.427 -9.944 -8.778 1.00 0.00 C ATOM 186 C ASP A 16 -2.233 -8.988 -8.732 1.00 0.00 C ATOM 187 O ASP A 16 -1.346 -9.056 -9.582 1.00 0.00 O ATOM 188 CB ASP A 16 -3.093 -11.072 -9.756 1.00 0.00 C ATOM 189 CG ASP A 16 -4.300 -11.850 -10.282 1.00 0.00 C ATOM 190 OD1 ASP A 16 -4.791 -12.716 -9.526 1.00 0.00 O ATOM 191 OD2 ASP A 16 -4.704 -11.562 -11.429 1.00 0.00 O ATOM 0 H ASP A 16 -5.465 -9.461 -8.706 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.628 -10.368 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.554 -10.649 -10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.416 -11.770 -9.264 1.00 0.00 H new ATOM 196 N LEU A 17 -2.248 -8.120 -7.731 1.00 0.00 N ATOM 197 CA LEU A 17 -1.178 -7.152 -7.564 1.00 0.00 C ATOM 198 C LEU A 17 -0.364 -7.508 -6.317 1.00 0.00 C ATOM 199 O LEU A 17 -0.836 -8.246 -5.454 1.00 0.00 O ATOM 200 CB LEU A 17 -1.740 -5.730 -7.545 1.00 0.00 C ATOM 201 CG LEU A 17 -2.048 -5.112 -8.911 1.00 0.00 C ATOM 202 CD1 LEU A 17 -2.618 -3.701 -8.759 1.00 0.00 C ATOM 203 CD2 LEU A 17 -0.813 -5.138 -9.815 1.00 0.00 C ATOM 0 H LEU A 17 -2.985 -8.067 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.495 -7.189 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.656 -5.730 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.028 -5.086 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.814 -5.717 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.828 -3.285 -9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.540 -3.741 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.893 -3.069 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.059 -4.693 -10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.008 -4.570 -9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.492 -6.169 -9.962 1.00 0.00 H new ATOM 215 N PRO A 18 0.876 -6.953 -6.262 1.00 0.00 N ATOM 216 CA PRO A 18 1.759 -7.204 -5.136 1.00 0.00 C ATOM 217 C PRO A 18 1.313 -6.415 -3.903 1.00 0.00 C ATOM 218 O PRO A 18 1.016 -5.226 -3.997 1.00 0.00 O ATOM 219 CB PRO A 18 3.143 -6.809 -5.626 1.00 0.00 C ATOM 220 CG PRO A 18 2.918 -5.920 -6.838 1.00 0.00 C ATOM 221 CD PRO A 18 1.468 -6.075 -7.267 1.00 0.00 C ATOM 0 HA PRO A 18 1.747 -8.246 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.695 -6.279 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.730 -7.689 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.135 -4.880 -6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.589 -6.204 -7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.960 -5.111 -7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.394 -6.508 -8.264 1.00 0.00 H new ATOM 229 N GLN A 19 1.282 -7.110 -2.776 1.00 0.00 N ATOM 230 CA GLN A 19 0.878 -6.489 -1.526 1.00 0.00 C ATOM 231 C GLN A 19 2.019 -6.551 -0.509 1.00 0.00 C ATOM 232 O GLN A 19 2.758 -7.533 -0.458 1.00 0.00 O ATOM 233 CB GLN A 19 -0.387 -7.148 -0.970 1.00 0.00 C ATOM 234 CG GLN A 19 -1.577 -6.926 -1.906 1.00 0.00 C ATOM 235 CD GLN A 19 -2.888 -7.339 -1.233 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.012 -7.363 -0.020 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.855 -7.663 -2.086 1.00 0.00 N ATOM 0 H GLN A 19 1.530 -8.097 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 19 0.648 -5.442 -1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.217 -8.217 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.612 -6.738 0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.627 -5.876 -2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.437 -7.501 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.684 -7.621 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.768 -7.954 -1.736 1.00 0.00 H new ATOM 246 N VAL A 20 2.129 -5.488 0.274 1.00 0.00 N ATOM 247 CA VAL A 20 3.169 -5.408 1.287 1.00 0.00 C ATOM 248 C VAL A 20 2.549 -4.967 2.614 1.00 0.00 C ATOM 249 O VAL A 20 1.684 -4.093 2.639 1.00 0.00 O ATOM 250 CB VAL A 20 4.290 -4.482 0.813 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.831 -4.927 -0.547 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.817 -3.028 0.765 1.00 0.00 C ATOM 0 H VAL A 20 1.515 -4.675 0.228 1.00 0.00 H new ATOM 0 HA VAL A 20 3.621 -6.386 1.449 1.00 0.00 H new ATOM 0 HB VAL A 20 5.104 -4.546 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.627 -4.252 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.225 -5.940 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.027 -4.907 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.633 -2.391 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.977 -2.941 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.503 -2.715 1.761 1.00 0.00 H new ATOM 262 N GLU A 21 3.016 -5.591 3.685 1.00 0.00 N ATOM 263 CA GLU A 21 2.519 -5.273 5.013 1.00 0.00 C ATOM 264 C GLU A 21 3.447 -4.270 5.701 1.00 0.00 C ATOM 265 O GLU A 21 4.621 -4.560 5.928 1.00 0.00 O ATOM 266 CB GLU A 21 2.358 -6.540 5.856 1.00 0.00 C ATOM 267 CG GLU A 21 1.766 -6.214 7.228 1.00 0.00 C ATOM 268 CD GLU A 21 1.377 -7.491 7.976 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.310 -8.224 8.370 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.156 -7.706 8.135 1.00 0.00 O ATOM 0 H GLU A 21 3.734 -6.316 3.660 1.00 0.00 H new ATOM 0 HA GLU A 21 1.534 -4.816 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.712 -7.247 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.327 -7.024 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.491 -5.651 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.889 -5.578 7.108 1.00 0.00 H new ATOM 277 N ILE A 22 2.886 -3.112 6.014 1.00 0.00 N ATOM 278 CA ILE A 22 3.648 -2.064 6.672 1.00 0.00 C ATOM 279 C ILE A 22 4.079 -2.547 8.059 1.00 0.00 C ATOM 280 O ILE A 22 3.254 -2.664 8.963 1.00 0.00 O ATOM 281 CB ILE A 22 2.853 -0.757 6.696 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.370 -0.384 5.293 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.667 0.367 7.340 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.550 -0.210 4.334 1.00 0.00 C ATOM 0 H ILE A 22 1.912 -2.876 5.824 1.00 0.00 H new ATOM 0 HA ILE A 22 4.558 -1.846 6.112 1.00 0.00 H new ATOM 0 HB ILE A 22 1.967 -0.907 7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.702 -1.159 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.793 0.540 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.079 1.285 7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.920 0.093 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.583 0.525 6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.178 0.055 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.203 0.582 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.110 -1.143 4.274 1.00 0.00 H new ATOM 296 N THR A 23 5.371 -2.814 8.182 1.00 0.00 N ATOM 297 CA THR A 23 5.921 -3.282 9.443 1.00 0.00 C ATOM 298 C THR A 23 5.787 -2.201 10.517 1.00 0.00 C ATOM 299 O THR A 23 5.520 -2.504 11.678 1.00 0.00 O ATOM 300 CB THR A 23 7.367 -3.716 9.195 1.00 0.00 C ATOM 301 OG1 THR A 23 8.067 -2.492 8.987 1.00 0.00 O ATOM 302 CG2 THR A 23 7.534 -4.470 7.875 1.00 0.00 C ATOM 0 H THR A 23 6.053 -2.715 7.430 1.00 0.00 H new ATOM 0 HA THR A 23 5.368 -4.142 9.821 1.00 0.00 H new ATOM 0 HB THR A 23 7.702 -4.347 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.014 -2.681 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.578 -4.755 7.748 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.912 -5.365 7.886 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.230 -3.828 7.048 1.00 0.00 H new ATOM 310 N LYS A 24 5.979 -0.961 10.090 1.00 0.00 N ATOM 311 CA LYS A 24 5.883 0.167 11.001 1.00 0.00 C ATOM 312 C LYS A 24 5.176 1.327 10.297 1.00 0.00 C ATOM 313 O LYS A 24 5.255 1.458 9.077 1.00 0.00 O ATOM 314 CB LYS A 24 7.263 0.531 11.551 1.00 0.00 C ATOM 315 CG LYS A 24 8.156 1.110 10.451 1.00 0.00 C ATOM 316 CD LYS A 24 9.062 0.031 9.855 1.00 0.00 C ATOM 317 CE LYS A 24 10.538 0.392 10.039 1.00 0.00 C ATOM 318 NZ LYS A 24 11.191 -0.557 10.968 1.00 0.00 N ATOM 0 H LYS A 24 6.200 -0.713 9.126 1.00 0.00 H new ATOM 0 HA LYS A 24 5.279 -0.095 11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.157 1.256 12.358 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.734 -0.355 11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.537 1.544 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.765 1.917 10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.856 -0.927 10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.842 -0.088 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.046 0.374 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.625 1.407 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.192 -0.298 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.716 -0.520 11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.124 -1.521 10.583 1.00 0.00 H new ATOM 332 N ALA A 25 4.499 2.138 11.096 1.00 0.00 N ATOM 333 CA ALA A 25 3.778 3.283 10.565 1.00 0.00 C ATOM 334 C ALA A 25 4.693 4.061 9.617 1.00 0.00 C ATOM 335 O ALA A 25 5.916 3.949 9.698 1.00 0.00 O ATOM 336 CB ALA A 25 3.266 4.145 11.720 1.00 0.00 C ATOM 0 H ALA A 25 4.434 2.025 12.108 1.00 0.00 H new ATOM 0 HA ALA A 25 2.910 2.958 9.992 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.725 5.004 11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.598 3.554 12.346 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.110 4.492 12.316 1.00 0.00 H new ATOM 342 N PHE A 26 4.066 4.833 8.742 1.00 0.00 N ATOM 343 CA PHE A 26 4.809 5.629 7.780 1.00 0.00 C ATOM 344 C PHE A 26 4.129 6.980 7.545 1.00 0.00 C ATOM 345 O PHE A 26 3.417 7.157 6.558 1.00 0.00 O ATOM 346 CB PHE A 26 4.824 4.845 6.466 1.00 0.00 C ATOM 347 CG PHE A 26 5.106 5.703 5.232 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.241 6.451 5.168 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.222 5.720 4.198 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.503 7.247 4.022 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.484 6.517 3.053 1.00 0.00 C ATOM 352 CZ PHE A 26 5.619 7.264 2.989 1.00 0.00 C ATOM 0 H PHE A 26 3.052 4.924 8.679 1.00 0.00 H new ATOM 0 HA PHE A 26 5.816 5.818 8.153 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.579 4.061 6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.861 4.350 6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.943 6.439 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.321 5.127 4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.405 7.839 3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.782 6.530 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.818 7.871 2.118 1.00 0.00 H new ATOM 362 N PHE A 27 4.372 7.897 8.470 1.00 0.00 N ATOM 363 CA PHE A 27 3.792 9.226 8.376 1.00 0.00 C ATOM 364 C PHE A 27 4.303 9.961 7.136 1.00 0.00 C ATOM 365 O PHE A 27 5.426 10.464 7.126 1.00 0.00 O ATOM 366 CB PHE A 27 4.228 9.994 9.625 1.00 0.00 C ATOM 367 CG PHE A 27 3.559 9.515 10.915 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.289 9.904 11.207 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.234 8.701 11.770 1.00 0.00 C ATOM 370 CE1 PHE A 27 1.668 9.460 12.405 1.00 0.00 C ATOM 371 CE2 PHE A 27 3.613 8.257 12.968 1.00 0.00 C ATOM 372 CZ PHE A 27 2.343 8.646 13.259 1.00 0.00 C ATOM 0 H PHE A 27 4.962 7.746 9.288 1.00 0.00 H new ATOM 0 HA PHE A 27 2.707 9.153 8.301 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.309 9.906 9.734 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.007 11.052 9.484 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.753 10.550 10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.243 8.392 11.538 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.660 9.769 12.637 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.149 7.611 13.647 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.870 8.308 14.169 1.00 0.00 H new ATOM 382 N ALA A 28 3.455 10.000 6.119 1.00 0.00 N ATOM 383 CA ALA A 28 3.807 10.666 4.876 1.00 0.00 C ATOM 384 C ALA A 28 4.166 12.124 5.167 1.00 0.00 C ATOM 385 O ALA A 28 3.532 12.769 6.001 1.00 0.00 O ATOM 386 CB ALA A 28 2.650 10.537 3.882 1.00 0.00 C ATOM 0 H ALA A 28 2.525 9.581 6.130 1.00 0.00 H new ATOM 0 HA ALA A 28 4.680 10.196 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.914 11.036 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.454 9.483 3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.757 11.000 4.301 1.00 0.00 H new ATOM 392 N LYS A 29 5.181 12.602 4.463 1.00 0.00 N ATOM 393 CA LYS A 29 5.632 13.973 4.635 1.00 0.00 C ATOM 394 C LYS A 29 5.237 14.793 3.405 1.00 0.00 C ATOM 395 O LYS A 29 4.939 15.981 3.517 1.00 0.00 O ATOM 396 CB LYS A 29 7.130 14.009 4.944 1.00 0.00 C ATOM 397 CG LYS A 29 7.957 13.786 3.676 1.00 0.00 C ATOM 398 CD LYS A 29 8.593 15.093 3.199 1.00 0.00 C ATOM 399 CE LYS A 29 10.108 15.074 3.407 1.00 0.00 C ATOM 400 NZ LYS A 29 10.773 14.341 2.307 1.00 0.00 N ATOM 0 H LYS A 29 5.704 12.064 3.772 1.00 0.00 H new ATOM 0 HA LYS A 29 5.142 14.431 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.390 14.970 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.372 13.242 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.736 13.048 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.321 13.379 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.369 15.246 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.158 15.932 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.487 16.095 3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.344 14.603 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.801 14.338 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.423 13.362 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.562 14.808 1.402 1.00 0.00 H new ATOM 414 N GLN A 30 5.249 14.127 2.260 1.00 0.00 N ATOM 415 CA GLN A 30 4.896 14.780 1.011 1.00 0.00 C ATOM 416 C GLN A 30 3.410 14.578 0.708 1.00 0.00 C ATOM 417 O GLN A 30 2.673 14.036 1.530 1.00 0.00 O ATOM 418 CB GLN A 30 5.765 14.268 -0.140 1.00 0.00 C ATOM 419 CG GLN A 30 6.958 15.195 -0.380 1.00 0.00 C ATOM 420 CD GLN A 30 6.634 16.240 -1.449 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.067 15.947 -2.489 1.00 0.00 O ATOM 422 NE2 GLN A 30 7.025 17.473 -1.136 1.00 0.00 N ATOM 0 H GLN A 30 5.498 13.142 2.171 1.00 0.00 H new ATOM 0 HA GLN A 30 5.083 15.849 1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.121 13.263 0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.167 14.197 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.229 15.694 0.551 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.822 14.608 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.495 17.649 -0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.855 18.242 -1.784 1.00 0.00 H new ATOM 431 N ALA A 31 3.014 15.025 -0.475 1.00 0.00 N ATOM 432 CA ALA A 31 1.629 14.901 -0.896 1.00 0.00 C ATOM 433 C ALA A 31 1.482 13.669 -1.793 1.00 0.00 C ATOM 434 O ALA A 31 0.372 13.305 -2.176 1.00 0.00 O ATOM 435 CB ALA A 31 1.191 16.188 -1.598 1.00 0.00 C ATOM 0 H ALA A 31 3.628 15.473 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 31 0.977 14.762 -0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.152 16.095 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.287 17.028 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.821 16.359 -2.471 1.00 0.00 H new ATOM 441 N ASP A 32 2.619 13.062 -2.101 1.00 0.00 N ATOM 442 CA ASP A 32 2.631 11.880 -2.945 1.00 0.00 C ATOM 443 C ASP A 32 2.638 10.629 -2.063 1.00 0.00 C ATOM 444 O ASP A 32 2.274 9.545 -2.514 1.00 0.00 O ATOM 445 CB ASP A 32 3.882 11.844 -3.825 1.00 0.00 C ATOM 446 CG ASP A 32 5.148 12.404 -3.174 1.00 0.00 C ATOM 447 OD1 ASP A 32 5.417 12.004 -2.020 1.00 0.00 O ATOM 448 OD2 ASP A 32 5.818 13.219 -3.844 1.00 0.00 O ATOM 0 H ASP A 32 3.538 13.367 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 32 1.745 11.909 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.070 10.812 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.682 12.406 -4.737 1.00 0.00 H new ATOM 453 N GLU A 33 3.058 10.822 -0.821 1.00 0.00 N ATOM 454 CA GLU A 33 3.117 9.723 0.128 1.00 0.00 C ATOM 455 C GLU A 33 1.766 9.549 0.824 1.00 0.00 C ATOM 456 O GLU A 33 0.849 10.343 0.616 1.00 0.00 O ATOM 457 CB GLU A 33 4.235 9.941 1.150 1.00 0.00 C ATOM 458 CG GLU A 33 5.598 10.028 0.461 1.00 0.00 C ATOM 459 CD GLU A 33 6.470 11.108 1.103 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.153 11.485 2.252 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.434 11.534 0.431 1.00 0.00 O ATOM 0 H GLU A 33 3.361 11.723 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 33 3.342 8.808 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.047 10.857 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.239 9.123 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.103 9.064 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.461 10.248 -0.598 1.00 0.00 H new ATOM 468 N VAL A 34 1.684 8.505 1.635 1.00 0.00 N ATOM 469 CA VAL A 34 0.460 8.216 2.362 1.00 0.00 C ATOM 470 C VAL A 34 0.811 7.643 3.737 1.00 0.00 C ATOM 471 O VAL A 34 1.788 6.910 3.876 1.00 0.00 O ATOM 472 CB VAL A 34 -0.432 7.285 1.537 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.347 6.055 1.066 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.677 6.876 2.327 1.00 0.00 C ATOM 0 H VAL A 34 2.446 7.848 1.805 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.111 9.130 2.526 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.761 7.832 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.310 5.410 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.188 6.371 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.719 5.506 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.293 6.215 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.376 6.356 3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.249 7.765 2.590 1.00 0.00 H new ATOM 484 N THR A 35 -0.005 8.001 4.717 1.00 0.00 N ATOM 485 CA THR A 35 0.207 7.532 6.076 1.00 0.00 C ATOM 486 C THR A 35 -0.233 6.073 6.212 1.00 0.00 C ATOM 487 O THR A 35 -1.282 5.687 5.698 1.00 0.00 O ATOM 488 CB THR A 35 -0.531 8.480 7.024 1.00 0.00 C ATOM 489 OG1 THR A 35 0.121 9.733 6.838 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.283 8.145 8.496 1.00 0.00 C ATOM 0 H THR A 35 -0.814 8.610 4.597 1.00 0.00 H new ATOM 0 HA THR A 35 1.265 7.545 6.338 1.00 0.00 H new ATOM 0 HB THR A 35 -1.601 8.440 6.818 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.296 10.407 7.414 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.829 8.847 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.626 7.131 8.701 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.783 8.218 8.711 1.00 0.00 H new ATOM 498 N LEU A 36 0.591 5.302 6.906 1.00 0.00 N ATOM 499 CA LEU A 36 0.301 3.894 7.116 1.00 0.00 C ATOM 500 C LEU A 36 0.522 3.546 8.589 1.00 0.00 C ATOM 501 O LEU A 36 1.238 4.253 9.297 1.00 0.00 O ATOM 502 CB LEU A 36 1.113 3.029 6.150 1.00 0.00 C ATOM 503 CG LEU A 36 1.223 3.548 4.715 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.414 2.916 3.993 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.088 3.336 3.954 1.00 0.00 C ATOM 0 H LEU A 36 1.460 5.626 7.330 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.745 3.683 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.120 2.917 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.668 2.034 6.122 1.00 0.00 H new ATOM 0 HG LEU A 36 1.404 4.622 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.469 3.302 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.334 3.161 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.289 1.834 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.017 3.713 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.323 2.272 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.892 3.871 4.459 1.00 0.00 H new ATOM 517 N GLN A 37 -0.104 2.456 9.007 1.00 0.00 N ATOM 518 CA GLN A 37 0.016 2.005 10.383 1.00 0.00 C ATOM 519 C GLN A 37 0.757 0.668 10.441 1.00 0.00 C ATOM 520 O GLN A 37 0.924 0.002 9.421 1.00 0.00 O ATOM 521 CB GLN A 37 -1.358 1.900 11.048 1.00 0.00 C ATOM 522 CG GLN A 37 -2.013 3.277 11.173 1.00 0.00 C ATOM 523 CD GLN A 37 -1.460 4.040 12.379 1.00 0.00 C ATOM 524 OE1 GLN A 37 -1.468 3.566 13.503 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.981 5.244 12.083 1.00 0.00 N ATOM 0 H GLN A 37 -0.696 1.872 8.417 1.00 0.00 H new ATOM 0 HA GLN A 37 0.595 2.743 10.937 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.999 1.240 10.464 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.255 1.451 12.036 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.837 3.851 10.263 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.092 3.162 11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.005 5.580 11.120 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.589 5.832 12.819 1.00 0.00 H new ATOM 534 N GLN A 38 1.182 0.314 11.646 1.00 0.00 N ATOM 535 CA GLN A 38 1.901 -0.932 11.850 1.00 0.00 C ATOM 536 C GLN A 38 1.003 -2.124 11.514 1.00 0.00 C ATOM 537 O GLN A 38 -0.112 -2.229 12.022 1.00 0.00 O ATOM 538 CB GLN A 38 2.431 -1.031 13.282 1.00 0.00 C ATOM 539 CG GLN A 38 3.093 -2.388 13.529 1.00 0.00 C ATOM 540 CD GLN A 38 4.159 -2.286 14.621 1.00 0.00 C ATOM 541 OE1 GLN A 38 3.871 -2.270 15.807 1.00 0.00 O ATOM 542 NE2 GLN A 38 5.404 -2.219 14.158 1.00 0.00 N ATOM 0 H GLN A 38 1.042 0.869 12.490 1.00 0.00 H new ATOM 0 HA GLN A 38 2.759 -0.948 11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.151 -0.233 13.463 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.612 -0.888 13.987 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.338 -3.118 13.820 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.546 -2.749 12.606 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.576 -2.237 13.153 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.187 -2.149 14.808 1.00 0.00 H new ATOM 551 N ALA A 39 1.522 -2.993 10.659 1.00 0.00 N ATOM 552 CA ALA A 39 0.782 -4.174 10.250 1.00 0.00 C ATOM 553 C ALA A 39 -0.385 -3.754 9.353 1.00 0.00 C ATOM 554 O ALA A 39 -1.521 -4.173 9.569 1.00 0.00 O ATOM 555 CB ALA A 39 0.317 -4.941 11.489 1.00 0.00 C ATOM 0 H ALA A 39 2.447 -2.902 10.238 1.00 0.00 H new ATOM 0 HA ALA A 39 1.419 -4.844 9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.238 -5.827 11.181 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.184 -5.242 12.077 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.327 -4.301 12.093 1.00 0.00 H new ATOM 561 N ASP A 40 -0.064 -2.930 8.366 1.00 0.00 N ATOM 562 CA ASP A 40 -1.071 -2.448 7.436 1.00 0.00 C ATOM 563 C ASP A 40 -0.781 -3.008 6.042 1.00 0.00 C ATOM 564 O ASP A 40 0.374 -3.078 5.625 1.00 0.00 O ATOM 565 CB ASP A 40 -1.051 -0.921 7.345 1.00 0.00 C ATOM 566 CG ASP A 40 -1.753 -0.196 8.495 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.888 -0.826 9.566 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.139 0.973 8.277 1.00 0.00 O ATOM 0 H ASP A 40 0.879 -2.584 8.190 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.046 -2.775 7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.014 -0.588 7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.519 -0.622 6.407 1.00 0.00 H new ATOM 573 N VAL A 41 -1.850 -3.394 5.360 1.00 0.00 N ATOM 574 CA VAL A 41 -1.725 -3.946 4.022 1.00 0.00 C ATOM 575 C VAL A 41 -1.899 -2.825 2.995 1.00 0.00 C ATOM 576 O VAL A 41 -2.687 -1.904 3.203 1.00 0.00 O ATOM 577 CB VAL A 41 -2.722 -5.090 3.833 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.577 -5.721 2.446 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.565 -6.142 4.933 1.00 0.00 C ATOM 0 H VAL A 41 -2.806 -3.335 5.709 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.732 -4.371 3.875 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.727 -4.674 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.298 -6.532 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.763 -4.966 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.567 -6.115 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.286 -6.944 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.555 -6.551 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.742 -5.681 5.905 1.00 0.00 H new ATOM 589 N VAL A 42 -1.150 -2.941 1.908 1.00 0.00 N ATOM 590 CA VAL A 42 -1.212 -1.950 0.847 1.00 0.00 C ATOM 591 C VAL A 42 -1.062 -2.647 -0.506 1.00 0.00 C ATOM 592 O VAL A 42 -0.124 -3.416 -0.712 1.00 0.00 O ATOM 593 CB VAL A 42 -0.157 -0.866 1.082 1.00 0.00 C ATOM 594 CG1 VAL A 42 0.024 0.001 -0.165 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.513 -0.010 2.299 1.00 0.00 C ATOM 0 H VAL A 42 -0.497 -3.706 1.739 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.180 -1.449 0.848 1.00 0.00 H new ATOM 0 HB VAL A 42 0.793 -1.360 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.779 0.763 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.344 -0.624 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.922 0.482 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.252 0.752 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.478 0.471 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.568 -0.642 3.185 1.00 0.00 H new ATOM 605 N LEU A 43 -1.999 -2.353 -1.395 1.00 0.00 N ATOM 606 CA LEU A 43 -1.983 -2.942 -2.723 1.00 0.00 C ATOM 607 C LEU A 43 -1.110 -2.087 -3.644 1.00 0.00 C ATOM 608 O LEU A 43 -1.484 -0.970 -3.998 1.00 0.00 O ATOM 609 CB LEU A 43 -3.409 -3.142 -3.238 1.00 0.00 C ATOM 610 CG LEU A 43 -3.549 -3.947 -4.532 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.420 -5.447 -4.260 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.855 -3.605 -5.252 1.00 0.00 C ATOM 0 H LEU A 43 -2.775 -1.714 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.538 -3.937 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.989 -3.639 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.859 -2.161 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.732 -3.669 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.523 -5.997 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.443 -5.655 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.201 -5.760 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.930 -4.191 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.700 -3.837 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.867 -2.543 -5.498 1.00 0.00 H new ATOM 624 N VAL A 44 0.036 -2.645 -4.006 1.00 0.00 N ATOM 625 CA VAL A 44 0.965 -1.948 -4.880 1.00 0.00 C ATOM 626 C VAL A 44 0.288 -1.678 -6.225 1.00 0.00 C ATOM 627 O VAL A 44 -0.423 -2.534 -6.750 1.00 0.00 O ATOM 628 CB VAL A 44 2.260 -2.751 -5.013 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.219 -2.084 -6.002 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.927 -2.946 -3.650 1.00 0.00 C ATOM 0 H VAL A 44 0.342 -3.572 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 44 1.239 -0.983 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 44 2.005 -3.736 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.132 -2.675 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.745 -2.020 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.464 -1.081 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.845 -3.520 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.162 -1.973 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.249 -3.484 -2.987 1.00 0.00 H new ATOM 640 N LEU A 45 0.532 -0.484 -6.745 1.00 0.00 N ATOM 641 CA LEU A 45 -0.045 -0.090 -8.018 1.00 0.00 C ATOM 642 C LEU A 45 1.079 0.199 -9.015 1.00 0.00 C ATOM 643 O LEU A 45 0.980 -0.157 -10.189 1.00 0.00 O ATOM 644 CB LEU A 45 -1.014 1.079 -7.829 1.00 0.00 C ATOM 645 CG LEU A 45 -2.347 0.743 -7.156 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.947 1.979 -6.482 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.318 0.104 -8.151 1.00 0.00 C ATOM 0 H LEU A 45 1.122 0.224 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.640 -0.903 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.515 1.847 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.223 1.514 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.159 0.008 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.894 1.713 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.257 2.351 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.118 2.754 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.257 -0.125 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.506 0.796 -8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.884 -0.815 -8.544 1.00 0.00 H new ATOM 659 N GLN A 46 2.123 0.841 -8.511 1.00 0.00 N ATOM 660 CA GLN A 46 3.265 1.182 -9.343 1.00 0.00 C ATOM 661 C GLN A 46 4.565 1.012 -8.555 1.00 0.00 C ATOM 662 O GLN A 46 4.778 1.686 -7.549 1.00 0.00 O ATOM 663 CB GLN A 46 3.139 2.604 -9.892 1.00 0.00 C ATOM 664 CG GLN A 46 2.723 2.589 -11.364 1.00 0.00 C ATOM 665 CD GLN A 46 1.525 3.510 -11.605 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.646 4.605 -12.128 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.364 3.006 -11.196 1.00 0.00 N ATOM 0 H GLN A 46 2.202 1.134 -7.537 1.00 0.00 H new ATOM 0 HA GLN A 46 3.286 0.500 -10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.404 3.159 -9.309 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.091 3.125 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.561 2.906 -11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.470 1.572 -11.664 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.333 2.082 -10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.495 3.544 -11.313 1.00 0.00 H new ATOM 676 N GLN A 47 5.401 0.106 -9.042 1.00 0.00 N ATOM 677 CA GLN A 47 6.674 -0.161 -8.395 1.00 0.00 C ATOM 678 C GLN A 47 7.778 0.692 -9.023 1.00 0.00 C ATOM 679 O GLN A 47 8.076 0.554 -10.209 1.00 0.00 O ATOM 680 CB GLN A 47 7.024 -1.649 -8.467 1.00 0.00 C ATOM 681 CG GLN A 47 6.775 -2.336 -7.123 1.00 0.00 C ATOM 682 CD GLN A 47 7.778 -3.468 -6.892 1.00 0.00 C ATOM 683 OE1 GLN A 47 8.491 -3.508 -5.903 1.00 0.00 O ATOM 684 NE2 GLN A 47 7.793 -4.383 -7.857 1.00 0.00 N ATOM 0 H GLN A 47 5.221 -0.452 -9.877 1.00 0.00 H new ATOM 0 HA GLN A 47 6.588 0.108 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.426 -2.130 -9.242 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.070 -1.767 -8.752 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.853 -1.606 -6.317 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.760 -2.733 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.169 -4.289 -8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.428 -5.179 -7.796 1.00 0.00 H new ATOM 693 N GLU A 48 8.354 1.557 -8.201 1.00 0.00 N ATOM 694 CA GLU A 48 9.418 2.433 -8.661 1.00 0.00 C ATOM 695 C GLU A 48 10.663 2.260 -7.788 1.00 0.00 C ATOM 696 O GLU A 48 10.640 2.574 -6.599 1.00 0.00 O ATOM 697 CB GLU A 48 8.958 3.892 -8.677 1.00 0.00 C ATOM 698 CG GLU A 48 9.921 4.761 -9.489 1.00 0.00 C ATOM 699 CD GLU A 48 9.705 4.562 -10.991 1.00 0.00 C ATOM 700 OE1 GLU A 48 10.222 3.548 -11.508 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.029 5.428 -11.587 1.00 0.00 O ATOM 0 H GLU A 48 8.104 1.670 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 48 9.674 2.156 -9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.957 3.957 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.895 4.269 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.774 5.810 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.950 4.510 -9.229 1.00 0.00 H new ATOM 708 N ASP A 49 11.719 1.759 -8.412 1.00 0.00 N ATOM 709 CA ASP A 49 12.970 1.541 -7.707 1.00 0.00 C ATOM 710 C ASP A 49 13.212 2.697 -6.734 1.00 0.00 C ATOM 711 O ASP A 49 13.623 3.781 -7.143 1.00 0.00 O ATOM 712 CB ASP A 49 14.149 1.488 -8.681 1.00 0.00 C ATOM 713 CG ASP A 49 14.546 0.084 -9.141 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.034 -0.879 -8.531 1.00 0.00 O ATOM 715 OD2 ASP A 49 15.352 0.006 -10.094 1.00 0.00 O ATOM 0 H ASP A 49 11.734 1.498 -9.398 1.00 0.00 H new ATOM 0 HA ASP A 49 12.897 0.591 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.903 2.085 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.012 1.957 -8.209 1.00 0.00 H new ATOM 720 N GLY A 50 12.945 2.425 -5.465 1.00 0.00 N ATOM 721 CA GLY A 50 13.128 3.429 -4.431 1.00 0.00 C ATOM 722 C GLY A 50 11.831 3.655 -3.650 1.00 0.00 C ATOM 723 O GLY A 50 11.846 3.723 -2.422 1.00 0.00 O ATOM 0 H GLY A 50 12.604 1.524 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.917 3.114 -3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.453 4.366 -4.883 1.00 0.00 H new ATOM 727 N TRP A 51 10.741 3.764 -4.395 1.00 0.00 N ATOM 728 CA TRP A 51 9.439 3.980 -3.788 1.00 0.00 C ATOM 729 C TRP A 51 8.441 3.037 -4.461 1.00 0.00 C ATOM 730 O TRP A 51 8.477 2.853 -5.677 1.00 0.00 O ATOM 731 CB TRP A 51 9.028 5.451 -3.881 1.00 0.00 C ATOM 732 CG TRP A 51 9.821 6.379 -2.960 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.049 6.880 -3.152 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.390 6.900 -1.685 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.439 7.683 -2.099 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.398 7.695 -1.179 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.187 6.706 -0.983 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.306 8.359 0.051 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.111 7.376 0.244 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.117 8.180 0.768 1.00 0.00 C ATOM 0 H TRP A 51 10.733 3.707 -5.413 1.00 0.00 H new ATOM 0 HA TRP A 51 9.468 3.753 -2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.150 5.787 -4.911 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.968 5.537 -3.641 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.657 6.681 -4.022 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.327 8.176 -2.012 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.385 6.089 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.109 8.976 0.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.207 7.260 0.824 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.982 8.664 1.724 1.00 0.00 H new ATOM 751 N LEU A 52 7.572 2.462 -3.642 1.00 0.00 N ATOM 752 CA LEU A 52 6.566 1.542 -4.143 1.00 0.00 C ATOM 753 C LEU A 52 5.177 2.147 -3.932 1.00 0.00 C ATOM 754 O LEU A 52 4.774 2.405 -2.798 1.00 0.00 O ATOM 755 CB LEU A 52 6.738 0.161 -3.507 1.00 0.00 C ATOM 756 CG LEU A 52 8.178 -0.332 -3.355 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.843 -0.514 -4.721 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.984 0.598 -2.446 1.00 0.00 C ATOM 0 H LEU A 52 7.544 2.616 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 52 6.689 1.391 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.274 0.177 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.188 -0.564 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 52 8.154 -1.310 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.866 -0.865 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.283 -1.246 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.854 0.439 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.004 0.224 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.002 1.600 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.521 0.633 -1.460 1.00 0.00 H new ATOM 770 N TYR A 53 4.483 2.357 -5.041 1.00 0.00 N ATOM 771 CA TYR A 53 3.147 2.927 -4.991 1.00 0.00 C ATOM 772 C TYR A 53 2.089 1.833 -4.839 1.00 0.00 C ATOM 773 O TYR A 53 2.233 0.743 -5.391 1.00 0.00 O ATOM 774 CB TYR A 53 2.941 3.636 -6.331 1.00 0.00 C ATOM 775 CG TYR A 53 1.670 4.485 -6.397 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.504 5.547 -5.531 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.690 4.190 -7.323 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.308 6.346 -5.593 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.506 4.990 -7.385 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.638 6.028 -6.517 1.00 0.00 C ATOM 781 OH TYR A 53 -1.767 6.784 -6.575 1.00 0.00 O ATOM 0 H TYR A 53 4.821 2.143 -5.979 1.00 0.00 H new ATOM 0 HA TYR A 53 3.050 3.602 -4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.802 4.274 -6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.908 2.889 -7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.271 5.779 -4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.820 3.359 -8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.165 7.179 -4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.281 4.770 -8.105 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.353 6.443 -7.282 1.00 0.00 H new ATOM 791 N GLY A 54 1.049 2.160 -4.086 1.00 0.00 N ATOM 792 CA GLY A 54 -0.033 1.219 -3.854 1.00 0.00 C ATOM 793 C GLY A 54 -1.246 1.919 -3.237 1.00 0.00 C ATOM 794 O GLY A 54 -1.263 3.142 -3.109 1.00 0.00 O ATOM 0 H GLY A 54 0.933 3.064 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.319 0.749 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.308 0.423 -3.192 1.00 0.00 H new ATOM 798 N GLU A 55 -2.232 1.112 -2.871 1.00 0.00 N ATOM 799 CA GLU A 55 -3.446 1.639 -2.271 1.00 0.00 C ATOM 800 C GLU A 55 -3.741 0.920 -0.953 1.00 0.00 C ATOM 801 O GLU A 55 -3.716 -0.308 -0.893 1.00 0.00 O ATOM 802 CB GLU A 55 -4.628 1.524 -3.236 1.00 0.00 C ATOM 803 CG GLU A 55 -5.921 2.010 -2.578 1.00 0.00 C ATOM 804 CD GLU A 55 -6.948 0.879 -2.487 1.00 0.00 C ATOM 805 OE1 GLU A 55 -6.809 0.059 -1.554 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.850 0.861 -3.352 1.00 0.00 O ATOM 0 H GLU A 55 -2.215 0.098 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.295 2.697 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.429 2.111 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.744 0.488 -3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.705 2.391 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.337 2.838 -3.152 1.00 0.00 H new ATOM 813 N ARG A 56 -4.015 1.717 0.070 1.00 0.00 N ATOM 814 CA ARG A 56 -4.315 1.172 1.383 1.00 0.00 C ATOM 815 C ARG A 56 -5.697 0.514 1.381 1.00 0.00 C ATOM 816 O ARG A 56 -6.708 1.186 1.185 1.00 0.00 O ATOM 817 CB ARG A 56 -4.279 2.264 2.453 1.00 0.00 C ATOM 818 CG ARG A 56 -3.975 1.672 3.831 1.00 0.00 C ATOM 819 CD ARG A 56 -3.426 2.741 4.778 1.00 0.00 C ATOM 820 NE ARG A 56 -4.222 3.983 4.655 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.261 4.945 5.587 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.552 4.814 6.716 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.011 6.038 5.391 1.00 0.00 N ATOM 0 H ARG A 56 -4.035 2.735 0.016 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.554 0.427 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.522 3.005 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.237 2.784 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.882 1.239 4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.251 0.863 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.458 2.379 5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.381 2.944 4.544 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.775 4.115 3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.982 3.982 6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.582 5.547 7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.552 6.138 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.041 6.770 6.101 1.00 0.00 H new ATOM 837 N LEU A 57 -5.695 -0.792 1.602 1.00 0.00 N ATOM 838 CA LEU A 57 -6.935 -1.549 1.629 1.00 0.00 C ATOM 839 C LEU A 57 -7.770 -1.108 2.833 1.00 0.00 C ATOM 840 O LEU A 57 -8.944 -1.459 2.941 1.00 0.00 O ATOM 841 CB LEU A 57 -6.647 -3.051 1.597 1.00 0.00 C ATOM 842 CG LEU A 57 -6.031 -3.588 0.304 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.758 -3.033 -0.922 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.528 -3.307 0.255 1.00 0.00 C ATOM 0 H LEU A 57 -4.854 -1.346 1.764 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.527 -1.343 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.976 -3.290 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.580 -3.584 1.780 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.157 -4.671 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.300 -3.431 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.807 -3.327 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.686 -1.945 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.115 -3.699 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.357 -2.232 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.040 -3.790 1.101 1.00 0.00 H new ATOM 856 N ARG A 58 -7.131 -0.345 3.709 1.00 0.00 N ATOM 857 CA ARG A 58 -7.801 0.147 4.901 1.00 0.00 C ATOM 858 C ARG A 58 -8.959 1.070 4.516 1.00 0.00 C ATOM 859 O ARG A 58 -10.120 0.752 4.768 1.00 0.00 O ATOM 860 CB ARG A 58 -6.828 0.909 5.803 1.00 0.00 C ATOM 861 CG ARG A 58 -7.491 1.283 7.131 1.00 0.00 C ATOM 862 CD ARG A 58 -6.520 1.097 8.299 1.00 0.00 C ATOM 863 NE ARG A 58 -7.236 1.265 9.583 1.00 0.00 N ATOM 864 CZ ARG A 58 -7.447 2.447 10.178 1.00 0.00 C ATOM 865 NH1 ARG A 58 -6.997 3.573 9.608 1.00 0.00 N ATOM 866 NH2 ARG A 58 -8.107 2.503 11.343 1.00 0.00 N ATOM 0 H ARG A 58 -6.157 -0.056 3.617 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.185 -0.715 5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.946 0.297 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.487 1.811 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.828 2.319 7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.376 0.666 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.067 0.107 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.709 1.822 8.228 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.592 0.428 10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.494 3.530 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.157 4.473 10.060 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.449 1.646 11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.267 3.403 11.796 1.00 0.00 H new ATOM 880 N ASP A 59 -8.603 2.194 3.913 1.00 0.00 N ATOM 881 CA ASP A 59 -9.598 3.165 3.492 1.00 0.00 C ATOM 882 C ASP A 59 -9.622 3.234 1.963 1.00 0.00 C ATOM 883 O ASP A 59 -10.638 3.593 1.370 1.00 0.00 O ATOM 884 CB ASP A 59 -9.265 4.561 4.023 1.00 0.00 C ATOM 885 CG ASP A 59 -10.374 5.222 4.844 1.00 0.00 C ATOM 886 OD1 ASP A 59 -11.517 5.247 4.338 1.00 0.00 O ATOM 887 OD2 ASP A 59 -10.054 5.688 5.959 1.00 0.00 O ATOM 0 H ASP A 59 -7.639 2.454 3.706 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.564 2.850 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.368 4.495 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.025 5.207 3.178 1.00 0.00 H new ATOM 892 N GLY A 60 -8.490 2.885 1.369 1.00 0.00 N ATOM 893 CA GLY A 60 -8.368 2.903 -0.078 1.00 0.00 C ATOM 894 C GLY A 60 -7.425 4.017 -0.536 1.00 0.00 C ATOM 895 O GLY A 60 -7.258 4.241 -1.734 1.00 0.00 O ATOM 0 H GLY A 60 -7.649 2.588 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.995 1.940 -0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.351 3.046 -0.527 1.00 0.00 H new ATOM 899 N GLU A 61 -6.834 4.687 0.443 1.00 0.00 N ATOM 900 CA GLU A 61 -5.912 5.772 0.156 1.00 0.00 C ATOM 901 C GLU A 61 -4.756 5.272 -0.713 1.00 0.00 C ATOM 902 O GLU A 61 -4.084 4.304 -0.361 1.00 0.00 O ATOM 903 CB GLU A 61 -5.392 6.406 1.448 1.00 0.00 C ATOM 904 CG GLU A 61 -5.616 7.920 1.445 1.00 0.00 C ATOM 905 CD GLU A 61 -4.352 8.662 1.881 1.00 0.00 C ATOM 906 OE1 GLU A 61 -3.950 8.464 3.048 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.815 9.412 1.037 1.00 0.00 O ATOM 0 H GLU A 61 -6.976 4.499 1.435 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.450 6.542 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.898 5.962 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.329 6.192 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.907 8.246 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.439 8.171 2.115 1.00 0.00 H new ATOM 914 N THR A 62 -4.560 5.954 -1.832 1.00 0.00 N ATOM 915 CA THR A 62 -3.498 5.591 -2.754 1.00 0.00 C ATOM 916 C THR A 62 -2.367 6.619 -2.696 1.00 0.00 C ATOM 917 O THR A 62 -2.559 7.781 -3.053 1.00 0.00 O ATOM 918 CB THR A 62 -4.112 5.441 -4.147 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.391 4.863 -3.903 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.387 4.395 -4.997 1.00 0.00 C ATOM 0 H THR A 62 -5.119 6.757 -2.121 1.00 0.00 H new ATOM 0 HA THR A 62 -3.044 4.639 -2.479 1.00 0.00 H new ATOM 0 HB THR A 62 -4.090 6.403 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.859 4.733 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.863 4.328 -5.975 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.344 4.686 -5.120 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.438 3.425 -4.502 1.00 0.00 H new ATOM 928 N GLY A 63 -1.211 6.155 -2.243 1.00 0.00 N ATOM 929 CA GLY A 63 -0.049 7.020 -2.134 1.00 0.00 C ATOM 930 C GLY A 63 1.241 6.243 -2.406 1.00 0.00 C ATOM 931 O GLY A 63 1.197 5.068 -2.766 1.00 0.00 O ATOM 0 H GLY A 63 -1.055 5.191 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.137 7.844 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.010 7.459 -1.137 1.00 0.00 H new ATOM 935 N TRP A 64 2.358 6.931 -2.222 1.00 0.00 N ATOM 936 CA TRP A 64 3.658 6.320 -2.443 1.00 0.00 C ATOM 937 C TRP A 64 4.191 5.841 -1.091 1.00 0.00 C ATOM 938 O TRP A 64 4.186 6.591 -0.117 1.00 0.00 O ATOM 939 CB TRP A 64 4.607 7.289 -3.150 1.00 0.00 C ATOM 940 CG TRP A 64 4.385 7.386 -4.661 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.609 8.252 -5.327 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.982 6.548 -5.673 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.662 8.034 -6.689 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.523 6.964 -6.906 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.880 5.472 -5.551 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.906 6.362 -8.110 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.253 4.881 -6.763 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.800 5.289 -8.013 1.00 0.00 C ATOM 0 H TRP A 64 2.390 7.905 -1.922 1.00 0.00 H new ATOM 0 HA TRP A 64 3.572 5.461 -3.108 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.491 8.280 -2.712 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.634 6.976 -2.963 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.017 9.023 -4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.162 8.561 -7.405 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.252 5.129 -4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.532 6.707 -9.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.941 4.049 -6.725 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.136 4.781 -8.905 1.00 0.00 H new ATOM 959 N PHE A 65 4.639 4.594 -1.076 1.00 0.00 N ATOM 960 CA PHE A 65 5.174 4.006 0.140 1.00 0.00 C ATOM 961 C PHE A 65 6.476 3.253 -0.142 1.00 0.00 C ATOM 962 O PHE A 65 6.554 2.474 -1.091 1.00 0.00 O ATOM 963 CB PHE A 65 4.128 3.016 0.657 1.00 0.00 C ATOM 964 CG PHE A 65 4.153 1.659 -0.050 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.171 0.788 0.186 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.157 1.323 -0.913 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.194 -0.471 -0.469 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.181 0.064 -1.569 1.00 0.00 C ATOM 969 CZ PHE A 65 4.198 -0.807 -1.333 1.00 0.00 C ATOM 0 H PHE A 65 4.642 3.975 -1.887 1.00 0.00 H new ATOM 0 HA PHE A 65 5.388 4.788 0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.286 2.861 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.138 3.456 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.962 1.054 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.348 2.014 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.002 -1.162 -0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.391 -0.202 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.215 -1.765 -1.831 1.00 0.00 H new ATOM 979 N PRO A 66 7.492 3.518 0.722 1.00 0.00 N ATOM 980 CA PRO A 66 8.786 2.875 0.575 1.00 0.00 C ATOM 981 C PRO A 66 8.730 1.417 1.036 1.00 0.00 C ATOM 982 O PRO A 66 7.958 1.075 1.931 1.00 0.00 O ATOM 983 CB PRO A 66 9.743 3.721 1.399 1.00 0.00 C ATOM 984 CG PRO A 66 8.872 4.530 2.347 1.00 0.00 C ATOM 985 CD PRO A 66 7.436 4.435 1.857 1.00 0.00 C ATOM 0 HA PRO A 66 9.114 2.824 -0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.443 3.094 1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.336 4.375 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.955 4.145 3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.199 5.570 2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.775 4.059 2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.054 5.411 1.559 1.00 0.00 H new ATOM 993 N GLU A 67 9.556 0.597 0.403 1.00 0.00 N ATOM 994 CA GLU A 67 9.610 -0.816 0.737 1.00 0.00 C ATOM 995 C GLU A 67 10.187 -1.008 2.141 1.00 0.00 C ATOM 996 O GLU A 67 9.762 -1.900 2.874 1.00 0.00 O ATOM 997 CB GLU A 67 10.421 -1.594 -0.300 1.00 0.00 C ATOM 998 CG GLU A 67 11.713 -0.855 -0.653 1.00 0.00 C ATOM 999 CD GLU A 67 12.927 -1.775 -0.512 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.197 -2.512 -1.485 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.558 -1.721 0.566 1.00 0.00 O ATOM 0 H GLU A 67 10.193 0.884 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 67 8.594 -1.211 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.659 -2.585 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.823 -1.739 -1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.654 -0.479 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.831 0.011 -0.001 1.00 0.00 H new ATOM 1008 N ASP A 68 11.146 -0.157 2.473 1.00 0.00 N ATOM 1009 CA ASP A 68 11.786 -0.222 3.776 1.00 0.00 C ATOM 1010 C ASP A 68 10.712 -0.275 4.865 1.00 0.00 C ATOM 1011 O ASP A 68 10.951 -0.800 5.952 1.00 0.00 O ATOM 1012 CB ASP A 68 12.652 1.014 4.027 1.00 0.00 C ATOM 1013 CG ASP A 68 13.946 0.751 4.800 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.498 -0.357 4.623 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.355 1.663 5.550 1.00 0.00 O ATOM 0 H ASP A 68 11.496 0.581 1.862 1.00 0.00 H new ATOM 0 HA ASP A 68 12.414 -1.113 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.905 1.463 3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.061 1.748 4.576 1.00 0.00 H new ATOM 1020 N PHE A 69 9.553 0.275 4.535 1.00 0.00 N ATOM 1021 CA PHE A 69 8.442 0.296 5.472 1.00 0.00 C ATOM 1022 C PHE A 69 7.336 -0.665 5.032 1.00 0.00 C ATOM 1023 O PHE A 69 6.154 -0.334 5.109 1.00 0.00 O ATOM 1024 CB PHE A 69 7.889 1.723 5.476 1.00 0.00 C ATOM 1025 CG PHE A 69 8.867 2.768 6.018 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.936 3.150 5.269 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.667 3.314 7.247 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.844 4.120 5.772 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.574 4.284 7.749 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.644 4.666 7.001 1.00 0.00 C ATOM 0 H PHE A 69 9.359 0.709 3.633 1.00 0.00 H new ATOM 0 HA PHE A 69 8.782 -0.012 6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.609 1.996 4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.979 1.747 6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.095 2.716 4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.818 3.010 7.841 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.693 4.424 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.414 4.719 8.725 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.335 5.403 7.383 1.00 0.00 H new ATOM 1040 N ALA A 70 7.759 -1.837 4.581 1.00 0.00 N ATOM 1041 CA ALA A 70 6.820 -2.849 4.130 1.00 0.00 C ATOM 1042 C ALA A 70 7.592 -4.090 3.677 1.00 0.00 C ATOM 1043 O ALA A 70 8.789 -4.016 3.407 1.00 0.00 O ATOM 1044 CB ALA A 70 5.942 -2.271 3.017 1.00 0.00 C ATOM 0 H ALA A 70 8.740 -2.108 4.518 1.00 0.00 H new ATOM 0 HA ALA A 70 6.160 -3.150 4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.237 -3.030 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.393 -1.410 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.570 -1.961 2.182 1.00 0.00 H new ATOM 1050 N ARG A 71 6.874 -5.202 3.609 1.00 0.00 N ATOM 1051 CA ARG A 71 7.477 -6.457 3.195 1.00 0.00 C ATOM 1052 C ARG A 71 6.585 -7.161 2.170 1.00 0.00 C ATOM 1053 O ARG A 71 5.373 -7.260 2.360 1.00 0.00 O ATOM 1054 CB ARG A 71 7.697 -7.384 4.392 1.00 0.00 C ATOM 1055 CG ARG A 71 6.401 -7.577 5.182 1.00 0.00 C ATOM 1056 CD ARG A 71 6.504 -8.782 6.119 1.00 0.00 C ATOM 1057 NE ARG A 71 6.214 -10.028 5.374 1.00 0.00 N ATOM 1058 CZ ARG A 71 5.868 -11.186 5.953 1.00 0.00 C ATOM 1059 NH1 ARG A 71 5.767 -11.264 7.287 1.00 0.00 N ATOM 1060 NH2 ARG A 71 5.623 -12.266 5.198 1.00 0.00 N ATOM 0 H ARG A 71 5.881 -5.259 3.834 1.00 0.00 H new ATOM 0 HA ARG A 71 8.443 -6.229 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.063 -8.350 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.465 -6.967 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.187 -6.679 5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.568 -7.718 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.503 -8.832 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.803 -8.671 6.946 1.00 0.00 H new ATOM 0 HE ARG A 71 6.282 -10.004 4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.953 -10.442 7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.504 -12.145 7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.700 -12.207 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.360 -13.147 5.639 1.00 0.00 H new ATOM 1074 N PHE A 72 7.218 -7.633 1.107 1.00 0.00 N ATOM 1075 CA PHE A 72 6.497 -8.325 0.052 1.00 0.00 C ATOM 1076 C PHE A 72 6.052 -9.715 0.512 1.00 0.00 C ATOM 1077 O PHE A 72 6.843 -10.657 0.507 1.00 0.00 O ATOM 1078 CB PHE A 72 7.462 -8.476 -1.126 1.00 0.00 C ATOM 1079 CG PHE A 72 7.306 -7.398 -2.200 1.00 0.00 C ATOM 1080 CD1 PHE A 72 7.946 -6.206 -2.066 1.00 0.00 C ATOM 1081 CD2 PHE A 72 6.527 -7.633 -3.290 1.00 0.00 C ATOM 1082 CE1 PHE A 72 7.801 -5.206 -3.063 1.00 0.00 C ATOM 1083 CE2 PHE A 72 6.382 -6.633 -4.288 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.022 -5.440 -4.153 1.00 0.00 C ATOM 0 H PHE A 72 8.223 -7.550 0.953 1.00 0.00 H new ATOM 0 HA PHE A 72 5.606 -7.759 -0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.485 -8.454 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.311 -9.454 -1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.565 -6.020 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.019 -8.580 -3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.309 -4.259 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.764 -6.819 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.911 -4.679 -4.911 1.00 0.00 H new ATOM 1094 N ILE A 73 4.788 -9.798 0.900 1.00 0.00 N ATOM 1095 CA ILE A 73 4.229 -11.057 1.363 1.00 0.00 C ATOM 1096 C ILE A 73 4.438 -12.128 0.290 1.00 0.00 C ATOM 1097 O ILE A 73 5.209 -13.066 0.486 1.00 0.00 O ATOM 1098 CB ILE A 73 2.766 -10.875 1.773 1.00 0.00 C ATOM 1099 CG1 ILE A 73 2.622 -9.756 2.806 1.00 0.00 C ATOM 1100 CG2 ILE A 73 2.167 -12.193 2.267 1.00 0.00 C ATOM 1101 CD1 ILE A 73 1.291 -9.867 3.552 1.00 0.00 C ATOM 0 H ILE A 73 4.135 -9.014 0.903 1.00 0.00 H new ATOM 0 HA ILE A 73 4.747 -11.397 2.259 1.00 0.00 H new ATOM 0 HB ILE A 73 2.199 -10.575 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.447 -9.804 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.685 -8.788 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.127 -12.036 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.217 -12.936 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.730 -12.548 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.214 -9.060 4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.468 -9.794 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.241 -10.826 4.067 1.00 0.00 H new ATOM 1113 N SER A 74 3.737 -11.952 -0.821 1.00 0.00 N ATOM 1114 CA SER A 74 3.836 -12.892 -1.925 1.00 0.00 C ATOM 1115 C SER A 74 3.542 -12.180 -3.246 1.00 0.00 C ATOM 1116 O SER A 74 2.392 -11.852 -3.536 1.00 0.00 O ATOM 1117 CB SER A 74 2.880 -14.071 -1.732 1.00 0.00 C ATOM 1118 OG SER A 74 3.557 -15.240 -1.279 1.00 0.00 O ATOM 0 H SER A 74 3.098 -11.173 -0.980 1.00 0.00 H new ATOM 0 HA SER A 74 4.853 -13.285 -1.950 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.108 -13.798 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.376 -14.286 -2.674 1.00 0.00 H new ATOM 0 HG SER A 74 2.912 -15.969 -1.167 1.00 0.00 H new ATOM 1124 N GLY A 75 4.600 -11.961 -4.013 1.00 0.00 N ATOM 1125 CA GLY A 75 4.469 -11.294 -5.297 1.00 0.00 C ATOM 1126 C GLY A 75 5.182 -12.081 -6.398 1.00 0.00 C ATOM 1127 O GLY A 75 5.389 -13.286 -6.271 1.00 0.00 O ATOM 0 H GLY A 75 5.552 -12.234 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.414 -11.185 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.887 -10.290 -5.234 1.00 0.00 H new ATOM 1131 N PRO A 76 5.548 -11.347 -7.484 1.00 0.00 N ATOM 1132 CA PRO A 76 6.233 -11.963 -8.607 1.00 0.00 C ATOM 1133 C PRO A 76 7.696 -12.251 -8.266 1.00 0.00 C ATOM 1134 O PRO A 76 8.173 -11.876 -7.196 1.00 0.00 O ATOM 1135 CB PRO A 76 6.073 -10.978 -9.754 1.00 0.00 C ATOM 1136 CG PRO A 76 5.712 -9.648 -9.113 1.00 0.00 C ATOM 1137 CD PRO A 76 5.319 -9.917 -7.669 1.00 0.00 C ATOM 0 HA PRO A 76 5.816 -12.934 -8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.995 -10.897 -10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.294 -11.304 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.557 -8.961 -9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.890 -9.176 -9.651 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.921 -9.327 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.277 -9.656 -7.487 1.00 0.00 H new ATOM 1145 N SER A 77 8.368 -12.914 -9.195 1.00 0.00 N ATOM 1146 CA SER A 77 9.767 -13.257 -9.006 1.00 0.00 C ATOM 1147 C SER A 77 10.571 -12.882 -10.253 1.00 0.00 C ATOM 1148 O SER A 77 10.024 -12.817 -11.352 1.00 0.00 O ATOM 1149 CB SER A 77 9.933 -14.746 -8.696 1.00 0.00 C ATOM 1150 OG SER A 77 9.782 -15.554 -9.860 1.00 0.00 O ATOM 0 H SER A 77 7.969 -13.223 -10.082 1.00 0.00 H new ATOM 0 HA SER A 77 10.145 -12.692 -8.154 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.917 -14.918 -8.261 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.197 -15.045 -7.949 1.00 0.00 H new ATOM 0 HG SER A 77 9.897 -16.497 -9.621 1.00 0.00 H new ATOM 1156 N SER A 78 11.857 -12.644 -10.039 1.00 0.00 N ATOM 1157 CA SER A 78 12.742 -12.277 -11.132 1.00 0.00 C ATOM 1158 C SER A 78 13.996 -13.152 -11.107 1.00 0.00 C ATOM 1159 O SER A 78 14.604 -13.342 -10.054 1.00 0.00 O ATOM 1160 CB SER A 78 13.125 -10.798 -11.057 1.00 0.00 C ATOM 1161 OG SER A 78 12.009 -9.944 -11.295 1.00 0.00 O ATOM 0 H SER A 78 12.307 -12.698 -9.125 1.00 0.00 H new ATOM 0 HA SER A 78 12.212 -12.440 -12.070 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.544 -10.582 -10.074 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.905 -10.588 -11.789 1.00 0.00 H new ATOM 0 HG SER A 78 12.295 -9.008 -11.237 1.00 0.00 H new ATOM 1167 N GLY A 79 14.346 -13.663 -12.278 1.00 0.00 N ATOM 1168 CA GLY A 79 15.518 -14.514 -12.403 1.00 0.00 C ATOM 1169 C GLY A 79 16.235 -14.268 -13.732 1.00 0.00 C ATOM 1170 O GLY A 79 15.648 -14.439 -14.799 1.00 0.00 O ATOM 0 H GLY A 79 13.839 -13.504 -13.149 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.201 -14.322 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.221 -15.560 -12.334 1.00 0.00 H new TER 1174 GLY A 79