USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 LYS NZ :NH3+ 175:sc= -1.35 (180deg=-0.362) USER MOD Set 1.2: A 43 GLN : amide:sc= -1.26 K(o=-2.7,f=-4!) USER MOD Set 1.3: A 49 GLN : amide:sc= -0.13 X(o=-2.7,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0899 K(o=-0.09,f=-5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 51:sc= -3.52! USER MOD Single : A 48 SER OG : rot 58:sc= 0.077 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 170:sc= -0.943 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.779 -25.538 -14.009 1.00 0.00 N ATOM 2 CA GLY A 1 -9.562 -24.927 -12.951 1.00 0.00 C ATOM 3 C GLY A 1 -8.719 -24.550 -11.749 1.00 0.00 C ATOM 4 O GLY A 1 -8.546 -25.350 -10.829 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.401 -25.777 -14.807 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.047 -24.872 -14.328 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.327 -26.404 -13.651 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.057 -24.036 -13.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.346 -25.617 -12.639 1.00 0.00 H new ATOM 8 N SER A 2 -8.193 -23.330 -11.756 1.00 0.00 N ATOM 9 CA SER A 2 -7.358 -22.851 -10.661 1.00 0.00 C ATOM 10 C SER A 2 -7.938 -21.577 -10.053 1.00 0.00 C ATOM 11 O SER A 2 -7.208 -20.638 -9.738 1.00 0.00 O ATOM 12 CB SER A 2 -5.933 -22.592 -11.152 1.00 0.00 C ATOM 13 OG SER A 2 -5.256 -23.808 -11.417 1.00 0.00 O ATOM 0 H SER A 2 -8.330 -22.655 -12.508 1.00 0.00 H new ATOM 0 HA SER A 2 -7.334 -23.623 -9.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.961 -21.984 -12.056 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.384 -22.023 -10.402 1.00 0.00 H new ATOM 0 HG SER A 2 -4.348 -23.615 -11.731 1.00 0.00 H new ATOM 19 N SER A 3 -9.258 -21.553 -9.892 1.00 0.00 N ATOM 20 CA SER A 3 -9.938 -20.394 -9.326 1.00 0.00 C ATOM 21 C SER A 3 -9.274 -19.957 -8.024 1.00 0.00 C ATOM 22 O SER A 3 -9.431 -20.600 -6.987 1.00 0.00 O ATOM 23 CB SER A 3 -11.413 -20.713 -9.077 1.00 0.00 C ATOM 24 OG SER A 3 -12.092 -20.966 -10.295 1.00 0.00 O ATOM 0 H SER A 3 -9.877 -22.323 -10.146 1.00 0.00 H new ATOM 0 HA SER A 3 -9.866 -19.576 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.495 -21.582 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.887 -19.879 -8.559 1.00 0.00 H new ATOM 0 HG SER A 3 -13.033 -21.169 -10.109 1.00 0.00 H new ATOM 30 N GLY A 4 -8.530 -18.856 -8.087 1.00 0.00 N ATOM 31 CA GLY A 4 -7.852 -18.351 -6.908 1.00 0.00 C ATOM 32 C GLY A 4 -7.946 -16.843 -6.787 1.00 0.00 C ATOM 33 O GLY A 4 -7.306 -16.112 -7.543 1.00 0.00 O ATOM 0 H GLY A 4 -8.385 -18.306 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.284 -18.811 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.803 -18.645 -6.942 1.00 0.00 H new ATOM 37 N SER A 5 -8.747 -16.376 -5.834 1.00 0.00 N ATOM 38 CA SER A 5 -8.926 -14.945 -5.620 1.00 0.00 C ATOM 39 C SER A 5 -8.362 -14.522 -4.267 1.00 0.00 C ATOM 40 O SER A 5 -8.888 -14.897 -3.219 1.00 0.00 O ATOM 41 CB SER A 5 -10.409 -14.577 -5.705 1.00 0.00 C ATOM 42 OG SER A 5 -10.583 -13.174 -5.797 1.00 0.00 O ATOM 0 H SER A 5 -9.282 -16.968 -5.198 1.00 0.00 H new ATOM 0 HA SER A 5 -8.382 -14.415 -6.402 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.857 -15.060 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.931 -14.954 -4.826 1.00 0.00 H new ATOM 0 HG SER A 5 -11.539 -12.966 -5.852 1.00 0.00 H new ATOM 48 N SER A 6 -7.289 -13.739 -4.299 1.00 0.00 N ATOM 49 CA SER A 6 -6.650 -13.267 -3.076 1.00 0.00 C ATOM 50 C SER A 6 -7.277 -11.959 -2.605 1.00 0.00 C ATOM 51 O SER A 6 -7.696 -11.837 -1.455 1.00 0.00 O ATOM 52 CB SER A 6 -5.149 -13.075 -3.301 1.00 0.00 C ATOM 53 OG SER A 6 -4.499 -12.692 -2.102 1.00 0.00 O ATOM 0 H SER A 6 -6.844 -13.418 -5.159 1.00 0.00 H new ATOM 0 HA SER A 6 -6.801 -14.020 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.713 -14.001 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.987 -12.315 -4.065 1.00 0.00 H new ATOM 0 HG SER A 6 -3.541 -12.577 -2.272 1.00 0.00 H new ATOM 59 N GLY A 7 -7.338 -10.981 -3.505 1.00 0.00 N ATOM 60 CA GLY A 7 -7.914 -9.694 -3.163 1.00 0.00 C ATOM 61 C GLY A 7 -6.927 -8.555 -3.327 1.00 0.00 C ATOM 62 O GLY A 7 -6.792 -7.972 -4.403 1.00 0.00 O ATOM 0 H GLY A 7 -6.999 -11.058 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.784 -9.510 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.266 -9.720 -2.132 1.00 0.00 H new ATOM 66 N PRO A 8 -6.217 -8.222 -2.239 1.00 0.00 N ATOM 67 CA PRO A 8 -5.226 -7.142 -2.241 1.00 0.00 C ATOM 68 C PRO A 8 -3.989 -7.491 -3.062 1.00 0.00 C ATOM 69 O PRO A 8 -3.220 -8.379 -2.695 1.00 0.00 O ATOM 70 CB PRO A 8 -4.861 -6.992 -0.762 1.00 0.00 C ATOM 71 CG PRO A 8 -5.150 -8.326 -0.164 1.00 0.00 C ATOM 72 CD PRO A 8 -6.326 -8.874 -0.923 1.00 0.00 C ATOM 0 HA PRO A 8 -5.618 -6.230 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.812 -6.721 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.451 -6.208 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.288 -8.987 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.378 -8.236 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.279 -9.960 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.269 -8.633 -0.432 1.00 0.00 H new ATOM 80 N ARG A 9 -3.804 -6.787 -4.173 1.00 0.00 N ATOM 81 CA ARG A 9 -2.661 -7.024 -5.046 1.00 0.00 C ATOM 82 C ARG A 9 -1.399 -6.385 -4.475 1.00 0.00 C ATOM 83 O ARG A 9 -0.439 -7.078 -4.133 1.00 0.00 O ATOM 84 CB ARG A 9 -2.937 -6.470 -6.445 1.00 0.00 C ATOM 85 CG ARG A 9 -4.190 -7.040 -7.090 1.00 0.00 C ATOM 86 CD ARG A 9 -5.416 -6.203 -6.760 1.00 0.00 C ATOM 87 NE ARG A 9 -6.506 -6.431 -7.705 1.00 0.00 N ATOM 88 CZ ARG A 9 -7.718 -5.906 -7.570 1.00 0.00 C ATOM 89 NH1 ARG A 9 -7.994 -5.125 -6.535 1.00 0.00 N ATOM 90 NH2 ARG A 9 -8.657 -6.160 -8.473 1.00 0.00 N ATOM 0 H ARG A 9 -4.431 -6.048 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.504 -8.101 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.031 -5.386 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.081 -6.681 -7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.057 -7.082 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.344 -8.063 -6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.755 -6.439 -5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.146 -5.147 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.326 -7.026 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.274 -4.926 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.926 -4.723 -6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.448 -6.759 -9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.588 -5.756 -8.368 1.00 0.00 H new ATOM 104 N LEU A 10 -1.406 -5.060 -4.373 1.00 0.00 N ATOM 105 CA LEU A 10 -0.262 -4.327 -3.843 1.00 0.00 C ATOM 106 C LEU A 10 1.022 -4.727 -4.563 1.00 0.00 C ATOM 107 O LEU A 10 2.062 -4.922 -3.934 1.00 0.00 O ATOM 108 CB LEU A 10 -0.119 -4.581 -2.342 1.00 0.00 C ATOM 109 CG LEU A 10 -1.064 -3.793 -1.434 1.00 0.00 C ATOM 110 CD1 LEU A 10 -2.512 -4.155 -1.727 1.00 0.00 C ATOM 111 CD2 LEU A 10 -0.735 -4.047 0.029 1.00 0.00 C ATOM 0 H LEU A 10 -2.192 -4.472 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.434 -3.264 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.273 -5.644 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.906 -4.352 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.928 -2.731 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.170 -3.584 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.743 -3.920 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.663 -5.221 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.418 -3.478 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.841 -5.110 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.290 -3.736 0.231 1.00 0.00 H new ATOM 123 N TRP A 11 0.942 -4.846 -5.883 1.00 0.00 N ATOM 124 CA TRP A 11 2.098 -5.221 -6.688 1.00 0.00 C ATOM 125 C TRP A 11 2.964 -4.004 -6.996 1.00 0.00 C ATOM 126 O TRP A 11 2.502 -2.867 -6.916 1.00 0.00 O ATOM 127 CB TRP A 11 1.646 -5.883 -7.990 1.00 0.00 C ATOM 128 CG TRP A 11 0.840 -4.976 -8.870 1.00 0.00 C ATOM 129 CD1 TRP A 11 1.191 -3.729 -9.302 1.00 0.00 C ATOM 130 CD2 TRP A 11 -0.453 -5.245 -9.422 1.00 0.00 C ATOM 131 NE1 TRP A 11 0.194 -3.206 -10.089 1.00 0.00 N ATOM 132 CE2 TRP A 11 -0.825 -4.117 -10.179 1.00 0.00 C ATOM 133 CE3 TRP A 11 -1.332 -6.329 -9.352 1.00 0.00 C ATOM 134 CZ2 TRP A 11 -2.038 -4.044 -10.859 1.00 0.00 C ATOM 135 CZ3 TRP A 11 -2.536 -6.255 -10.027 1.00 0.00 C ATOM 136 CH2 TRP A 11 -2.880 -5.120 -10.774 1.00 0.00 C ATOM 0 H TRP A 11 0.088 -4.688 -6.419 1.00 0.00 H new ATOM 0 HA TRP A 11 2.693 -5.932 -6.115 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.524 -6.224 -8.539 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.054 -6.767 -7.753 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.117 -3.228 -9.060 1.00 0.00 H new ATOM 0 HE1 TRP A 11 0.210 -2.288 -10.534 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.075 -7.209 -8.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.305 -3.169 -11.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.224 -7.086 -9.978 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.827 -5.094 -11.292 1.00 0.00 H new ATOM 147 N GLU A 12 4.222 -4.252 -7.350 1.00 0.00 N ATOM 148 CA GLU A 12 5.151 -3.175 -7.669 1.00 0.00 C ATOM 149 C GLU A 12 4.593 -2.285 -8.776 1.00 0.00 C ATOM 150 O GLU A 12 4.318 -2.749 -9.881 1.00 0.00 O ATOM 151 CB GLU A 12 6.504 -3.749 -8.096 1.00 0.00 C ATOM 152 CG GLU A 12 7.143 -4.645 -7.048 1.00 0.00 C ATOM 153 CD GLU A 12 6.742 -6.099 -7.201 1.00 0.00 C ATOM 154 OE1 GLU A 12 5.631 -6.459 -6.758 1.00 0.00 O ATOM 155 OE2 GLU A 12 7.540 -6.878 -7.764 1.00 0.00 O ATOM 0 H GLU A 12 4.620 -5.188 -7.423 1.00 0.00 H new ATOM 0 HA GLU A 12 5.287 -2.570 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.374 -4.317 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.183 -2.927 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.228 -4.562 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.859 -4.296 -6.055 1.00 0.00 H new ATOM 162 N GLY A 13 4.427 -1.002 -8.468 1.00 0.00 N ATOM 163 CA GLY A 13 3.902 -0.067 -9.445 1.00 0.00 C ATOM 164 C GLY A 13 2.388 0.008 -9.421 1.00 0.00 C ATOM 165 O GLY A 13 1.744 -0.002 -10.470 1.00 0.00 O ATOM 0 H GLY A 13 4.647 -0.594 -7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.315 0.924 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.232 -0.363 -10.441 1.00 0.00 H new ATOM 169 N GLN A 14 1.820 0.081 -8.222 1.00 0.00 N ATOM 170 CA GLN A 14 0.372 0.155 -8.066 1.00 0.00 C ATOM 171 C GLN A 14 -0.019 1.314 -7.156 1.00 0.00 C ATOM 172 O GLN A 14 0.308 1.322 -5.969 1.00 0.00 O ATOM 173 CB GLN A 14 -0.169 -1.159 -7.500 1.00 0.00 C ATOM 174 CG GLN A 14 -1.565 -1.038 -6.911 1.00 0.00 C ATOM 175 CD GLN A 14 -2.266 -2.377 -6.792 1.00 0.00 C ATOM 176 OE1 GLN A 14 -1.730 -3.409 -7.197 1.00 0.00 O ATOM 177 NE2 GLN A 14 -3.471 -2.367 -6.235 1.00 0.00 N ATOM 0 H GLN A 14 2.340 0.091 -7.345 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.066 0.326 -9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.181 -1.908 -8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.512 -1.521 -6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.501 -0.577 -5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.162 -0.374 -7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.877 -1.488 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.991 -3.238 -6.129 1.00 0.00 H new ATOM 186 N ASP A 15 -0.721 2.292 -7.719 1.00 0.00 N ATOM 187 CA ASP A 15 -1.158 3.456 -6.958 1.00 0.00 C ATOM 188 C ASP A 15 -2.084 3.044 -5.817 1.00 0.00 C ATOM 189 O ASP A 15 -3.243 2.695 -6.040 1.00 0.00 O ATOM 190 CB ASP A 15 -1.869 4.454 -7.874 1.00 0.00 C ATOM 191 CG ASP A 15 -0.915 5.461 -8.484 1.00 0.00 C ATOM 192 OD1 ASP A 15 -0.277 6.213 -7.718 1.00 0.00 O ATOM 193 OD2 ASP A 15 -0.807 5.499 -9.728 1.00 0.00 O ATOM 0 H ASP A 15 -0.999 2.301 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.275 3.932 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.379 3.912 -8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.635 4.982 -7.306 1.00 0.00 H new ATOM 198 N VAL A 16 -1.564 3.086 -4.595 1.00 0.00 N ATOM 199 CA VAL A 16 -2.343 2.717 -3.419 1.00 0.00 C ATOM 200 C VAL A 16 -2.412 3.867 -2.422 1.00 0.00 C ATOM 201 O VAL A 16 -1.803 4.918 -2.627 1.00 0.00 O ATOM 202 CB VAL A 16 -1.751 1.479 -2.719 1.00 0.00 C ATOM 203 CG1 VAL A 16 -1.640 0.316 -3.693 1.00 0.00 C ATOM 204 CG2 VAL A 16 -0.395 1.809 -2.113 1.00 0.00 C ATOM 0 H VAL A 16 -0.606 3.372 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.349 2.482 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.422 1.183 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.220 -0.549 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.630 0.066 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.991 0.597 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.009 0.924 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.287 2.131 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.508 2.609 -1.382 1.00 0.00 H new ATOM 214 N LEU A 17 -3.156 3.663 -1.341 1.00 0.00 N ATOM 215 CA LEU A 17 -3.304 4.683 -0.309 1.00 0.00 C ATOM 216 C LEU A 17 -2.805 4.172 1.038 1.00 0.00 C ATOM 217 O LEU A 17 -3.406 3.281 1.637 1.00 0.00 O ATOM 218 CB LEU A 17 -4.769 5.111 -0.194 1.00 0.00 C ATOM 219 CG LEU A 17 -5.469 5.467 -1.506 1.00 0.00 C ATOM 220 CD1 LEU A 17 -6.933 5.794 -1.258 1.00 0.00 C ATOM 221 CD2 LEU A 17 -4.767 6.633 -2.187 1.00 0.00 C ATOM 0 H LEU A 17 -3.667 2.800 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.701 5.545 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.326 4.305 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.824 5.974 0.470 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.418 4.603 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.415 6.045 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.429 4.930 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.006 6.642 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.279 6.872 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.785 7.502 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.733 6.361 -2.401 1.00 0.00 H new ATOM 233 N ALA A 18 -1.702 4.744 1.510 1.00 0.00 N ATOM 234 CA ALA A 18 -1.124 4.350 2.789 1.00 0.00 C ATOM 235 C ALA A 18 -1.617 5.252 3.916 1.00 0.00 C ATOM 236 O ALA A 18 -1.614 6.476 3.789 1.00 0.00 O ATOM 237 CB ALA A 18 0.395 4.378 2.713 1.00 0.00 C ATOM 0 H ALA A 18 -1.191 5.482 1.026 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.447 3.332 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.813 4.082 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.734 3.686 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.729 5.386 2.468 1.00 0.00 H new ATOM 243 N ARG A 19 -2.039 4.639 5.017 1.00 0.00 N ATOM 244 CA ARG A 19 -2.536 5.387 6.165 1.00 0.00 C ATOM 245 C ARG A 19 -1.381 5.961 6.981 1.00 0.00 C ATOM 246 O ARG A 19 -0.389 5.279 7.235 1.00 0.00 O ATOM 247 CB ARG A 19 -3.403 4.489 7.050 1.00 0.00 C ATOM 248 CG ARG A 19 -4.524 5.231 7.757 1.00 0.00 C ATOM 249 CD ARG A 19 -5.591 4.274 8.267 1.00 0.00 C ATOM 250 NE ARG A 19 -6.918 4.883 8.266 1.00 0.00 N ATOM 251 CZ ARG A 19 -8.036 4.210 8.518 1.00 0.00 C ATOM 252 NH1 ARG A 19 -7.986 2.914 8.791 1.00 0.00 N ATOM 253 NH2 ARG A 19 -9.206 4.835 8.498 1.00 0.00 N ATOM 0 H ARG A 19 -2.047 3.626 5.138 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.142 6.213 5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.833 3.696 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.770 4.008 7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.115 5.800 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.975 5.949 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.602 3.379 7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.339 3.956 9.279 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.991 5.879 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.088 2.431 8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.846 2.400 8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.248 5.833 8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.064 4.318 8.691 1.00 0.00 H new ATOM 267 N TRP A 20 -1.519 7.218 7.387 1.00 0.00 N ATOM 268 CA TRP A 20 -0.487 7.884 8.173 1.00 0.00 C ATOM 269 C TRP A 20 -0.914 8.017 9.631 1.00 0.00 C ATOM 270 O TRP A 20 -0.373 7.347 10.511 1.00 0.00 O ATOM 271 CB TRP A 20 -0.184 9.265 7.590 1.00 0.00 C ATOM 272 CG TRP A 20 1.193 9.759 7.917 1.00 0.00 C ATOM 273 CD1 TRP A 20 1.806 9.731 9.137 1.00 0.00 C ATOM 274 CD2 TRP A 20 2.127 10.355 7.010 1.00 0.00 C ATOM 275 NE1 TRP A 20 3.064 10.274 9.043 1.00 0.00 N ATOM 276 CE2 TRP A 20 3.286 10.664 7.749 1.00 0.00 C ATOM 277 CE3 TRP A 20 2.098 10.656 5.646 1.00 0.00 C ATOM 278 CZ2 TRP A 20 4.402 11.260 7.168 1.00 0.00 C ATOM 279 CZ3 TRP A 20 3.207 11.248 5.070 1.00 0.00 C ATOM 280 CH2 TRP A 20 4.346 11.544 5.830 1.00 0.00 C ATOM 0 H TRP A 20 -2.335 7.796 7.185 1.00 0.00 H new ATOM 0 HA TRP A 20 0.416 7.274 8.132 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -0.301 9.228 6.507 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.917 9.979 7.966 1.00 0.00 H new ATOM 0 HD1 TRP A 20 1.366 9.340 10.042 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.726 10.371 9.813 1.00 0.00 H new ATOM 0 HE3 TRP A 20 1.225 10.430 5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 5.281 11.490 7.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.195 11.486 4.017 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.197 12.005 5.351 1.00 0.00 H new ATOM 291 N THR A 21 -1.889 8.886 9.881 1.00 0.00 N ATOM 292 CA THR A 21 -2.388 9.107 11.232 1.00 0.00 C ATOM 293 C THR A 21 -3.790 9.706 11.210 1.00 0.00 C ATOM 294 O THR A 21 -4.162 10.403 10.266 1.00 0.00 O ATOM 295 CB THR A 21 -1.457 10.039 12.030 1.00 0.00 C ATOM 296 OG1 THR A 21 -0.090 9.757 11.710 1.00 0.00 O ATOM 297 CG2 THR A 21 -1.677 9.874 13.526 1.00 0.00 C ATOM 0 H THR A 21 -2.349 9.448 9.165 1.00 0.00 H new ATOM 0 HA THR A 21 -2.420 8.133 11.720 1.00 0.00 H new ATOM 0 HB THR A 21 -1.689 11.068 11.757 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.495 10.355 12.220 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.008 10.543 14.068 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.711 10.118 13.771 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.470 8.843 13.813 1.00 0.00 H new ATOM 305 N ASP A 22 -4.562 9.430 12.254 1.00 0.00 N ATOM 306 CA ASP A 22 -5.924 9.943 12.355 1.00 0.00 C ATOM 307 C ASP A 22 -6.841 9.251 11.352 1.00 0.00 C ATOM 308 O ASP A 22 -7.744 9.870 10.792 1.00 0.00 O ATOM 309 CB ASP A 22 -5.940 11.455 12.121 1.00 0.00 C ATOM 310 CG ASP A 22 -4.770 12.156 12.784 1.00 0.00 C ATOM 311 OD1 ASP A 22 -4.876 12.481 13.985 1.00 0.00 O ATOM 312 OD2 ASP A 22 -3.749 12.379 12.101 1.00 0.00 O ATOM 0 H ASP A 22 -4.269 8.854 13.043 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.292 9.734 13.360 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.919 11.654 11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.873 11.869 12.504 1.00 0.00 H new ATOM 317 N GLY A 23 -6.602 7.962 11.130 1.00 0.00 N ATOM 318 CA GLY A 23 -7.414 7.207 10.194 1.00 0.00 C ATOM 319 C GLY A 23 -7.514 7.880 8.839 1.00 0.00 C ATOM 320 O GLY A 23 -8.543 7.792 8.168 1.00 0.00 O ATOM 0 H GLY A 23 -5.860 7.427 11.582 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.989 6.211 10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.414 7.078 10.607 1.00 0.00 H new ATOM 324 N LEU A 24 -6.444 8.557 8.436 1.00 0.00 N ATOM 325 CA LEU A 24 -6.416 9.250 7.153 1.00 0.00 C ATOM 326 C LEU A 24 -5.564 8.489 6.142 1.00 0.00 C ATOM 327 O LEU A 24 -4.489 7.987 6.473 1.00 0.00 O ATOM 328 CB LEU A 24 -5.872 10.669 7.329 1.00 0.00 C ATOM 329 CG LEU A 24 -6.785 11.650 8.066 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.037 12.934 8.391 1.00 0.00 C ATOM 331 CD2 LEU A 24 -8.026 11.949 7.238 1.00 0.00 C ATOM 0 H LEU A 24 -5.585 8.641 8.979 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.437 9.303 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.926 10.610 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.653 11.078 6.343 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.100 11.190 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.702 13.620 8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.180 12.705 9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.692 13.398 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.664 12.649 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.731 12.389 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.574 11.024 7.057 1.00 0.00 H new ATOM 343 N LEU A 25 -6.050 8.409 4.908 1.00 0.00 N ATOM 344 CA LEU A 25 -5.332 7.711 3.847 1.00 0.00 C ATOM 345 C LEU A 25 -4.507 8.687 3.015 1.00 0.00 C ATOM 346 O LEU A 25 -4.985 9.758 2.639 1.00 0.00 O ATOM 347 CB LEU A 25 -6.315 6.961 2.947 1.00 0.00 C ATOM 348 CG LEU A 25 -7.022 5.761 3.578 1.00 0.00 C ATOM 349 CD1 LEU A 25 -8.003 5.141 2.596 1.00 0.00 C ATOM 350 CD2 LEU A 25 -6.006 4.728 4.044 1.00 0.00 C ATOM 0 H LEU A 25 -6.938 8.819 4.618 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.654 6.994 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.073 7.665 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.778 6.617 2.063 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.581 6.109 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.496 4.289 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.751 5.882 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.467 4.807 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.527 3.881 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.419 4.385 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.343 5.177 4.784 1.00 0.00 H new ATOM 362 N TYR A 26 -3.265 8.310 2.729 1.00 0.00 N ATOM 363 CA TYR A 26 -2.373 9.152 1.941 1.00 0.00 C ATOM 364 C TYR A 26 -1.991 8.467 0.633 1.00 0.00 C ATOM 365 O TYR A 26 -1.939 7.239 0.553 1.00 0.00 O ATOM 366 CB TYR A 26 -1.113 9.485 2.742 1.00 0.00 C ATOM 367 CG TYR A 26 -1.359 10.436 3.892 1.00 0.00 C ATOM 368 CD1 TYR A 26 -2.374 10.198 4.811 1.00 0.00 C ATOM 369 CD2 TYR A 26 -0.577 11.572 4.059 1.00 0.00 C ATOM 370 CE1 TYR A 26 -2.603 11.064 5.862 1.00 0.00 C ATOM 371 CE2 TYR A 26 -0.798 12.443 5.109 1.00 0.00 C ATOM 372 CZ TYR A 26 -1.812 12.185 6.007 1.00 0.00 C ATOM 373 OH TYR A 26 -2.037 13.050 7.054 1.00 0.00 O ATOM 0 H TYR A 26 -2.854 7.427 3.031 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.901 10.076 1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.685 8.561 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.372 9.922 2.072 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.994 9.321 4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.217 11.778 3.356 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.397 10.865 6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.180 13.321 5.226 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.393 13.788 7.013 1.00 0.00 H new ATOM 383 N LEU A 27 -1.726 9.270 -0.392 1.00 0.00 N ATOM 384 CA LEU A 27 -1.347 8.743 -1.699 1.00 0.00 C ATOM 385 C LEU A 27 0.041 8.113 -1.651 1.00 0.00 C ATOM 386 O LEU A 27 1.023 8.775 -1.319 1.00 0.00 O ATOM 387 CB LEU A 27 -1.379 9.856 -2.748 1.00 0.00 C ATOM 388 CG LEU A 27 -1.617 9.411 -4.191 1.00 0.00 C ATOM 389 CD1 LEU A 27 -1.871 10.614 -5.086 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.433 8.604 -4.703 1.00 0.00 C ATOM 0 H LEU A 27 -1.767 10.288 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.066 7.971 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.161 10.564 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.432 10.395 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.502 8.774 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.038 10.277 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.751 11.151 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.006 11.277 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.620 8.296 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.468 9.216 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.297 7.721 -4.079 1.00 0.00 H new ATOM 402 N GLY A 28 0.115 6.829 -1.988 1.00 0.00 N ATOM 403 CA GLY A 28 1.387 6.132 -1.979 1.00 0.00 C ATOM 404 C GLY A 28 1.565 5.234 -3.187 1.00 0.00 C ATOM 405 O GLY A 28 0.587 4.803 -3.800 1.00 0.00 O ATOM 0 H GLY A 28 -0.684 6.259 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.197 6.861 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.463 5.534 -1.071 1.00 0.00 H new ATOM 409 N THR A 29 2.817 4.951 -3.534 1.00 0.00 N ATOM 410 CA THR A 29 3.120 4.101 -4.678 1.00 0.00 C ATOM 411 C THR A 29 3.900 2.862 -4.252 1.00 0.00 C ATOM 412 O THR A 29 4.957 2.967 -3.629 1.00 0.00 O ATOM 413 CB THR A 29 3.930 4.863 -5.744 1.00 0.00 C ATOM 414 OG1 THR A 29 3.175 5.978 -6.230 1.00 0.00 O ATOM 415 CG2 THR A 29 4.295 3.947 -6.903 1.00 0.00 C ATOM 0 H THR A 29 3.638 5.299 -3.038 1.00 0.00 H new ATOM 0 HA THR A 29 2.166 3.796 -5.107 1.00 0.00 H new ATOM 0 HB THR A 29 4.849 5.222 -5.282 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.698 6.458 -6.906 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.867 4.507 -7.643 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.895 3.115 -6.534 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.385 3.562 -7.363 1.00 0.00 H new ATOM 423 N ILE A 30 3.372 1.691 -4.593 1.00 0.00 N ATOM 424 CA ILE A 30 4.021 0.433 -4.246 1.00 0.00 C ATOM 425 C ILE A 30 5.409 0.339 -4.871 1.00 0.00 C ATOM 426 O ILE A 30 5.551 0.017 -6.051 1.00 0.00 O ATOM 427 CB ILE A 30 3.183 -0.777 -4.702 1.00 0.00 C ATOM 428 CG1 ILE A 30 1.806 -0.752 -4.035 1.00 0.00 C ATOM 429 CG2 ILE A 30 3.909 -2.075 -4.383 1.00 0.00 C ATOM 430 CD1 ILE A 30 1.860 -0.920 -2.533 1.00 0.00 C ATOM 0 H ILE A 30 2.498 1.588 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 30 4.112 0.414 -3.160 1.00 0.00 H new ATOM 0 HB ILE A 30 3.044 -0.718 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.315 0.192 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.191 -1.546 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.304 -2.920 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.868 -2.092 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.076 -2.144 -3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.849 -0.892 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.322 -1.877 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.448 -0.112 -2.097 1.00 0.00 H new ATOM 442 N LYS A 31 6.432 0.622 -4.071 1.00 0.00 N ATOM 443 CA LYS A 31 7.810 0.568 -4.543 1.00 0.00 C ATOM 444 C LYS A 31 8.379 -0.840 -4.399 1.00 0.00 C ATOM 445 O LYS A 31 9.108 -1.319 -5.268 1.00 0.00 O ATOM 446 CB LYS A 31 8.676 1.562 -3.766 1.00 0.00 C ATOM 447 CG LYS A 31 7.981 2.882 -3.481 1.00 0.00 C ATOM 448 CD LYS A 31 7.524 3.559 -4.763 1.00 0.00 C ATOM 449 CE LYS A 31 8.603 4.469 -5.328 1.00 0.00 C ATOM 450 NZ LYS A 31 8.023 5.619 -6.076 1.00 0.00 N ATOM 0 H LYS A 31 6.332 0.891 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 31 7.817 0.838 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.977 1.108 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.588 1.756 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.122 2.709 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.660 3.543 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.262 2.802 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.622 4.140 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.226 4.842 -4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.252 3.895 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.786 6.260 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.519 5.268 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.358 6.132 -5.463 1.00 0.00 H new ATOM 464 N LYS A 32 8.042 -1.500 -3.296 1.00 0.00 N ATOM 465 CA LYS A 32 8.517 -2.854 -3.038 1.00 0.00 C ATOM 466 C LYS A 32 7.467 -3.664 -2.283 1.00 0.00 C ATOM 467 O LYS A 32 6.598 -3.103 -1.616 1.00 0.00 O ATOM 468 CB LYS A 32 9.820 -2.816 -2.238 1.00 0.00 C ATOM 469 CG LYS A 32 10.693 -4.042 -2.438 1.00 0.00 C ATOM 470 CD LYS A 32 11.669 -4.226 -1.289 1.00 0.00 C ATOM 471 CE LYS A 32 12.937 -3.411 -1.497 1.00 0.00 C ATOM 472 NZ LYS A 32 13.923 -4.129 -2.352 1.00 0.00 N ATOM 0 H LYS A 32 7.441 -1.118 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 32 8.702 -3.337 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.385 -1.928 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.583 -2.718 -1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.063 -4.927 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.245 -3.948 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.193 -3.928 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.925 -5.281 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.684 -2.456 -1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.389 -3.188 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.773 -3.541 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.184 -5.029 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.501 -4.319 -3.283 1.00 0.00 H new ATOM 486 N VAL A 33 7.556 -4.986 -2.392 1.00 0.00 N ATOM 487 CA VAL A 33 6.616 -5.873 -1.717 1.00 0.00 C ATOM 488 C VAL A 33 7.332 -7.074 -1.111 1.00 0.00 C ATOM 489 O VAL A 33 7.859 -7.923 -1.829 1.00 0.00 O ATOM 490 CB VAL A 33 5.524 -6.373 -2.682 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.149 -6.919 -3.957 1.00 0.00 C ATOM 492 CG2 VAL A 33 4.660 -7.427 -2.007 1.00 0.00 C ATOM 0 H VAL A 33 8.269 -5.466 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 33 6.149 -5.293 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 33 4.886 -5.531 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.363 -7.268 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.721 -6.132 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.811 -7.749 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.894 -7.769 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.282 -8.271 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.184 -6.997 -1.126 1.00 0.00 H new ATOM 502 N ASP A 34 7.347 -7.139 0.216 1.00 0.00 N ATOM 503 CA ASP A 34 7.997 -8.238 0.920 1.00 0.00 C ATOM 504 C ASP A 34 6.965 -9.204 1.492 1.00 0.00 C ATOM 505 O ASP A 34 5.969 -8.786 2.082 1.00 0.00 O ATOM 506 CB ASP A 34 8.885 -7.698 2.043 1.00 0.00 C ATOM 507 CG ASP A 34 10.079 -8.591 2.317 1.00 0.00 C ATOM 508 OD1 ASP A 34 10.555 -9.252 1.370 1.00 0.00 O ATOM 509 OD2 ASP A 34 10.538 -8.630 3.478 1.00 0.00 O ATOM 0 H ASP A 34 6.916 -6.444 0.826 1.00 0.00 H new ATOM 0 HA ASP A 34 8.617 -8.779 0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.235 -6.700 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.294 -7.597 2.953 1.00 0.00 H new ATOM 514 N SER A 35 7.209 -10.498 1.312 1.00 0.00 N ATOM 515 CA SER A 35 6.298 -11.524 1.805 1.00 0.00 C ATOM 516 C SER A 35 6.699 -11.979 3.205 1.00 0.00 C ATOM 517 O SER A 35 5.848 -12.320 4.026 1.00 0.00 O ATOM 518 CB SER A 35 6.280 -12.722 0.853 1.00 0.00 C ATOM 519 OG SER A 35 7.395 -13.567 1.076 1.00 0.00 O ATOM 0 H SER A 35 8.030 -10.861 0.828 1.00 0.00 H new ATOM 0 HA SER A 35 5.298 -11.093 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.358 -13.287 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.286 -12.371 -0.179 1.00 0.00 H new ATOM 0 HG SER A 35 7.360 -14.326 0.457 1.00 0.00 H new ATOM 525 N ALA A 36 8.001 -11.982 3.469 1.00 0.00 N ATOM 526 CA ALA A 36 8.517 -12.393 4.769 1.00 0.00 C ATOM 527 C ALA A 36 7.825 -11.636 5.898 1.00 0.00 C ATOM 528 O ALA A 36 7.219 -12.241 6.783 1.00 0.00 O ATOM 529 CB ALA A 36 10.022 -12.179 4.832 1.00 0.00 C ATOM 0 H ALA A 36 8.719 -11.704 2.799 1.00 0.00 H new ATOM 0 HA ALA A 36 8.307 -13.455 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.393 -12.490 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.506 -12.770 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.246 -11.123 4.678 1.00 0.00 H new ATOM 535 N ARG A 37 7.920 -10.311 5.861 1.00 0.00 N ATOM 536 CA ARG A 37 7.305 -9.472 6.882 1.00 0.00 C ATOM 537 C ARG A 37 5.933 -8.980 6.428 1.00 0.00 C ATOM 538 O ARG A 37 5.329 -8.121 7.068 1.00 0.00 O ATOM 539 CB ARG A 37 8.206 -8.279 7.203 1.00 0.00 C ATOM 540 CG ARG A 37 9.285 -8.588 8.228 1.00 0.00 C ATOM 541 CD ARG A 37 8.700 -8.738 9.624 1.00 0.00 C ATOM 542 NE ARG A 37 8.665 -7.467 10.342 1.00 0.00 N ATOM 543 CZ ARG A 37 9.717 -6.943 10.961 1.00 0.00 C ATOM 544 NH1 ARG A 37 10.881 -7.577 10.949 1.00 0.00 N ATOM 545 NH2 ARG A 37 9.606 -5.781 11.593 1.00 0.00 N ATOM 0 H ARG A 37 8.417 -9.795 5.135 1.00 0.00 H new ATOM 0 HA ARG A 37 7.177 -10.074 7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.679 -7.934 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.590 -7.459 7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.802 -9.506 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.028 -7.791 8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.690 -9.142 9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.292 -9.458 10.190 1.00 0.00 H new ATOM 0 HE ARG A 37 7.784 -6.953 10.370 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.971 -8.470 10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.687 -7.172 11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.712 -5.290 11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.414 -5.380 12.068 1.00 0.00 H new ATOM 559 N GLU A 38 5.450 -9.531 5.319 1.00 0.00 N ATOM 560 CA GLU A 38 4.151 -9.147 4.779 1.00 0.00 C ATOM 561 C GLU A 38 3.997 -7.629 4.761 1.00 0.00 C ATOM 562 O GLU A 38 3.042 -7.083 5.312 1.00 0.00 O ATOM 563 CB GLU A 38 3.025 -9.774 5.604 1.00 0.00 C ATOM 564 CG GLU A 38 2.596 -11.144 5.107 1.00 0.00 C ATOM 565 CD GLU A 38 1.535 -11.778 5.985 1.00 0.00 C ATOM 566 OE1 GLU A 38 1.447 -11.402 7.173 1.00 0.00 O ATOM 567 OE2 GLU A 38 0.793 -12.649 5.485 1.00 0.00 O ATOM 0 H GLU A 38 5.938 -10.244 4.777 1.00 0.00 H new ATOM 0 HA GLU A 38 4.089 -9.514 3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.350 -9.858 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.163 -9.107 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.214 -11.054 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.466 -11.799 5.064 1.00 0.00 H new ATOM 574 N VAL A 39 4.947 -6.952 4.122 1.00 0.00 N ATOM 575 CA VAL A 39 4.918 -5.497 4.030 1.00 0.00 C ATOM 576 C VAL A 39 5.111 -5.033 2.590 1.00 0.00 C ATOM 577 O VAL A 39 5.293 -5.847 1.684 1.00 0.00 O ATOM 578 CB VAL A 39 6.004 -4.857 4.914 1.00 0.00 C ATOM 579 CG1 VAL A 39 6.159 -5.631 6.215 1.00 0.00 C ATOM 580 CG2 VAL A 39 7.327 -4.786 4.166 1.00 0.00 C ATOM 0 H VAL A 39 5.746 -7.388 3.661 1.00 0.00 H new ATOM 0 HA VAL A 39 3.938 -5.177 4.383 1.00 0.00 H new ATOM 0 HB VAL A 39 5.696 -3.840 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.931 -5.164 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.213 -5.625 6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.444 -6.660 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.083 -4.331 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.643 -5.792 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.204 -4.184 3.266 1.00 0.00 H new ATOM 590 N CYS A 40 5.071 -3.721 2.387 1.00 0.00 N ATOM 591 CA CYS A 40 5.242 -3.148 1.057 1.00 0.00 C ATOM 592 C CYS A 40 5.863 -1.757 1.139 1.00 0.00 C ATOM 593 O CYS A 40 5.291 -0.845 1.737 1.00 0.00 O ATOM 594 CB CYS A 40 3.897 -3.077 0.333 1.00 0.00 C ATOM 595 SG CYS A 40 3.009 -4.650 0.269 1.00 0.00 S ATOM 0 H CYS A 40 4.922 -3.034 3.126 1.00 0.00 H new ATOM 0 HA CYS A 40 5.916 -3.794 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.268 -2.337 0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.063 -2.724 -0.685 1.00 0.00 H new ATOM 0 HG CYS A 40 2.938 -5.157 1.464 1.00 0.00 H new ATOM 601 N LEU A 41 7.038 -1.603 0.538 1.00 0.00 N ATOM 602 CA LEU A 41 7.739 -0.324 0.544 1.00 0.00 C ATOM 603 C LEU A 41 7.035 0.687 -0.355 1.00 0.00 C ATOM 604 O LEU A 41 7.114 0.604 -1.581 1.00 0.00 O ATOM 605 CB LEU A 41 9.186 -0.510 0.087 1.00 0.00 C ATOM 606 CG LEU A 41 10.133 0.659 0.361 1.00 0.00 C ATOM 607 CD1 LEU A 41 10.748 0.534 1.746 1.00 0.00 C ATOM 608 CD2 LEU A 41 11.219 0.726 -0.703 1.00 0.00 C ATOM 0 H LEU A 41 7.525 -2.348 0.040 1.00 0.00 H new ATOM 0 HA LEU A 41 7.734 0.060 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.588 -1.399 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.185 -0.707 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 41 9.558 1.584 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.419 1.374 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.958 0.536 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.309 -0.398 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.884 1.564 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.791 -0.202 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.761 0.864 -1.682 1.00 0.00 H new ATOM 620 N VAL A 42 6.348 1.644 0.262 1.00 0.00 N ATOM 621 CA VAL A 42 5.633 2.673 -0.483 1.00 0.00 C ATOM 622 C VAL A 42 6.296 4.035 -0.311 1.00 0.00 C ATOM 623 O VAL A 42 6.756 4.379 0.777 1.00 0.00 O ATOM 624 CB VAL A 42 4.162 2.770 -0.036 1.00 0.00 C ATOM 625 CG1 VAL A 42 3.420 3.808 -0.862 1.00 0.00 C ATOM 626 CG2 VAL A 42 3.485 1.412 -0.137 1.00 0.00 C ATOM 0 H VAL A 42 6.272 1.728 1.276 1.00 0.00 H new ATOM 0 HA VAL A 42 5.667 2.385 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 42 4.137 3.086 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.383 3.862 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.893 4.781 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.451 3.526 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.446 1.499 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.519 1.064 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.003 0.698 0.503 1.00 0.00 H new ATOM 636 N GLN A 43 6.339 4.806 -1.393 1.00 0.00 N ATOM 637 CA GLN A 43 6.946 6.132 -1.362 1.00 0.00 C ATOM 638 C GLN A 43 5.880 7.216 -1.244 1.00 0.00 C ATOM 639 O GLN A 43 4.736 7.023 -1.656 1.00 0.00 O ATOM 640 CB GLN A 43 7.786 6.361 -2.619 1.00 0.00 C ATOM 641 CG GLN A 43 8.300 7.785 -2.756 1.00 0.00 C ATOM 642 CD GLN A 43 9.128 7.988 -4.010 1.00 0.00 C ATOM 643 OE1 GLN A 43 10.356 7.915 -3.975 1.00 0.00 O ATOM 644 NE2 GLN A 43 8.457 8.245 -5.127 1.00 0.00 N ATOM 0 H GLN A 43 5.961 4.536 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 43 7.593 6.187 -0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.634 5.677 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.188 6.114 -3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.455 8.473 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.902 8.035 -1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.438 8.296 -5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.960 8.391 -6.002 1.00 0.00 H new ATOM 653 N PHE A 44 6.262 8.356 -0.679 1.00 0.00 N ATOM 654 CA PHE A 44 5.338 9.471 -0.506 1.00 0.00 C ATOM 655 C PHE A 44 5.758 10.663 -1.362 1.00 0.00 C ATOM 656 O PHE A 44 6.909 10.761 -1.785 1.00 0.00 O ATOM 657 CB PHE A 44 5.273 9.884 0.966 1.00 0.00 C ATOM 658 CG PHE A 44 5.034 8.733 1.901 1.00 0.00 C ATOM 659 CD1 PHE A 44 4.007 7.834 1.665 1.00 0.00 C ATOM 660 CD2 PHE A 44 5.837 8.550 3.015 1.00 0.00 C ATOM 661 CE1 PHE A 44 3.784 6.775 2.524 1.00 0.00 C ATOM 662 CE2 PHE A 44 5.619 7.492 3.878 1.00 0.00 C ATOM 663 CZ PHE A 44 4.592 6.603 3.631 1.00 0.00 C ATOM 0 H PHE A 44 7.205 8.532 -0.333 1.00 0.00 H new ATOM 0 HA PHE A 44 4.349 9.144 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 44 6.207 10.376 1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.477 10.618 1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.373 7.962 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.643 9.242 3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.979 6.082 2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.251 7.361 4.744 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.421 5.774 4.302 1.00 0.00 H new ATOM 673 N GLU A 45 4.815 11.566 -1.612 1.00 0.00 N ATOM 674 CA GLU A 45 5.086 12.750 -2.418 1.00 0.00 C ATOM 675 C GLU A 45 6.342 13.465 -1.929 1.00 0.00 C ATOM 676 O GLU A 45 6.992 14.188 -2.685 1.00 0.00 O ATOM 677 CB GLU A 45 3.893 13.707 -2.377 1.00 0.00 C ATOM 678 CG GLU A 45 2.600 13.090 -2.883 1.00 0.00 C ATOM 679 CD GLU A 45 1.572 14.132 -3.280 1.00 0.00 C ATOM 680 OE1 GLU A 45 1.062 14.835 -2.384 1.00 0.00 O ATOM 681 OE2 GLU A 45 1.279 14.244 -4.489 1.00 0.00 O ATOM 0 H GLU A 45 3.857 11.500 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 45 5.249 12.428 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.746 14.048 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.124 14.588 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.817 12.454 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.181 12.448 -2.108 1.00 0.00 H new ATOM 688 N ASP A 46 6.678 13.258 -0.660 1.00 0.00 N ATOM 689 CA ASP A 46 7.856 13.881 -0.069 1.00 0.00 C ATOM 690 C ASP A 46 9.076 12.975 -0.204 1.00 0.00 C ATOM 691 O ASP A 46 9.839 12.800 0.746 1.00 0.00 O ATOM 692 CB ASP A 46 7.604 14.203 1.405 1.00 0.00 C ATOM 693 CG ASP A 46 6.194 14.699 1.656 1.00 0.00 C ATOM 694 OD1 ASP A 46 5.246 13.906 1.481 1.00 0.00 O ATOM 695 OD2 ASP A 46 6.038 15.881 2.028 1.00 0.00 O ATOM 0 H ASP A 46 6.151 12.663 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 46 8.054 14.808 -0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.784 13.311 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.316 14.959 1.736 1.00 0.00 H new ATOM 700 N ASP A 47 9.252 12.401 -1.389 1.00 0.00 N ATOM 701 CA ASP A 47 10.379 11.513 -1.649 1.00 0.00 C ATOM 702 C ASP A 47 10.668 10.634 -0.436 1.00 0.00 C ATOM 703 O ASP A 47 11.798 10.190 -0.234 1.00 0.00 O ATOM 704 CB ASP A 47 11.622 12.325 -2.014 1.00 0.00 C ATOM 705 CG ASP A 47 11.331 13.402 -3.040 1.00 0.00 C ATOM 706 OD1 ASP A 47 10.543 14.320 -2.729 1.00 0.00 O ATOM 707 OD2 ASP A 47 11.889 13.326 -4.155 1.00 0.00 O ATOM 0 H ASP A 47 8.628 12.535 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 47 10.117 10.869 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.028 12.786 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.389 11.655 -2.403 1.00 0.00 H new ATOM 712 N SER A 48 9.638 10.386 0.368 1.00 0.00 N ATOM 713 CA SER A 48 9.783 9.564 1.563 1.00 0.00 C ATOM 714 C SER A 48 9.470 8.102 1.258 1.00 0.00 C ATOM 715 O SER A 48 8.308 7.721 1.120 1.00 0.00 O ATOM 716 CB SER A 48 8.861 10.073 2.673 1.00 0.00 C ATOM 717 OG SER A 48 9.468 11.130 3.395 1.00 0.00 O ATOM 0 H SER A 48 8.695 10.743 0.213 1.00 0.00 H new ATOM 0 HA SER A 48 10.818 9.634 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.921 10.416 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.619 9.256 3.353 1.00 0.00 H new ATOM 0 HG SER A 48 9.697 11.857 2.779 1.00 0.00 H new ATOM 723 N GLN A 49 10.517 7.289 1.155 1.00 0.00 N ATOM 724 CA GLN A 49 10.355 5.869 0.865 1.00 0.00 C ATOM 725 C GLN A 49 10.632 5.026 2.105 1.00 0.00 C ATOM 726 O GLN A 49 11.733 5.053 2.654 1.00 0.00 O ATOM 727 CB GLN A 49 11.289 5.449 -0.271 1.00 0.00 C ATOM 728 CG GLN A 49 11.404 6.484 -1.378 1.00 0.00 C ATOM 729 CD GLN A 49 12.412 6.093 -2.441 1.00 0.00 C ATOM 730 OE1 GLN A 49 12.714 4.913 -2.622 1.00 0.00 O ATOM 731 NE2 GLN A 49 12.940 7.084 -3.150 1.00 0.00 N ATOM 0 H GLN A 49 11.485 7.589 1.268 1.00 0.00 H new ATOM 0 HA GLN A 49 9.323 5.702 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.281 5.255 0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.931 4.512 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.428 6.624 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.691 7.442 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.661 8.048 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.625 6.881 -3.878 1.00 0.00 H new ATOM 740 N PHE A 50 9.625 4.277 2.542 1.00 0.00 N ATOM 741 CA PHE A 50 9.759 3.425 3.719 1.00 0.00 C ATOM 742 C PHE A 50 8.958 2.138 3.553 1.00 0.00 C ATOM 743 O PHE A 50 8.281 1.939 2.543 1.00 0.00 O ATOM 744 CB PHE A 50 9.293 4.172 4.970 1.00 0.00 C ATOM 745 CG PHE A 50 9.922 3.668 6.238 1.00 0.00 C ATOM 746 CD1 PHE A 50 11.252 3.936 6.521 1.00 0.00 C ATOM 747 CD2 PHE A 50 9.184 2.927 7.146 1.00 0.00 C ATOM 748 CE1 PHE A 50 11.833 3.473 7.686 1.00 0.00 C ATOM 749 CE2 PHE A 50 9.759 2.462 8.313 1.00 0.00 C ATOM 750 CZ PHE A 50 11.086 2.736 8.584 1.00 0.00 C ATOM 0 H PHE A 50 8.707 4.242 2.099 1.00 0.00 H new ATOM 0 HA PHE A 50 10.811 3.164 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.521 5.232 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.209 4.086 5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 50 11.841 4.513 5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.146 2.710 6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.871 3.687 7.894 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.172 1.885 9.012 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.538 2.375 9.496 1.00 0.00 H new ATOM 760 N LEU A 51 9.040 1.265 4.551 1.00 0.00 N ATOM 761 CA LEU A 51 8.323 -0.005 4.517 1.00 0.00 C ATOM 762 C LEU A 51 6.958 0.121 5.186 1.00 0.00 C ATOM 763 O LEU A 51 6.865 0.361 6.390 1.00 0.00 O ATOM 764 CB LEU A 51 9.144 -1.095 5.209 1.00 0.00 C ATOM 765 CG LEU A 51 10.353 -1.619 4.433 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.249 -2.449 5.339 1.00 0.00 C ATOM 767 CD2 LEU A 51 9.902 -2.436 3.231 1.00 0.00 C ATOM 0 H LEU A 51 9.596 1.413 5.393 1.00 0.00 H new ATOM 0 HA LEU A 51 8.171 -0.280 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.492 -0.707 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.485 -1.935 5.426 1.00 0.00 H new ATOM 0 HG LEU A 51 10.927 -0.766 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.104 -2.814 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.600 -1.833 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.686 -3.296 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.775 -2.801 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.305 -3.283 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.302 -1.810 2.570 1.00 0.00 H new ATOM 779 N VAL A 52 5.901 -0.043 4.398 1.00 0.00 N ATOM 780 CA VAL A 52 4.540 0.049 4.915 1.00 0.00 C ATOM 781 C VAL A 52 3.881 -1.324 4.977 1.00 0.00 C ATOM 782 O VAL A 52 3.735 -2.001 3.958 1.00 0.00 O ATOM 783 CB VAL A 52 3.674 0.984 4.050 1.00 0.00 C ATOM 784 CG1 VAL A 52 2.286 1.136 4.653 1.00 0.00 C ATOM 785 CG2 VAL A 52 4.347 2.339 3.892 1.00 0.00 C ATOM 0 H VAL A 52 5.960 -0.240 3.399 1.00 0.00 H new ATOM 0 HA VAL A 52 4.611 0.460 5.922 1.00 0.00 H new ATOM 0 HB VAL A 52 3.567 0.540 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.689 1.800 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.805 0.160 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.369 1.557 5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.721 2.987 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.486 2.793 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.317 2.210 3.411 1.00 0.00 H new ATOM 795 N LEU A 53 3.484 -1.730 6.177 1.00 0.00 N ATOM 796 CA LEU A 53 2.839 -3.023 6.373 1.00 0.00 C ATOM 797 C LEU A 53 1.750 -3.252 5.330 1.00 0.00 C ATOM 798 O LEU A 53 1.357 -2.330 4.617 1.00 0.00 O ATOM 799 CB LEU A 53 2.241 -3.110 7.779 1.00 0.00 C ATOM 800 CG LEU A 53 3.234 -3.024 8.937 1.00 0.00 C ATOM 801 CD1 LEU A 53 2.499 -2.957 10.267 1.00 0.00 C ATOM 802 CD2 LEU A 53 4.186 -4.211 8.912 1.00 0.00 C ATOM 0 H LEU A 53 3.597 -1.182 7.030 1.00 0.00 H new ATOM 0 HA LEU A 53 3.596 -3.799 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.512 -2.308 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.696 -4.050 7.863 1.00 0.00 H new ATOM 0 HG LEU A 53 3.819 -2.111 8.822 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.223 -2.896 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.858 -2.075 10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.889 -3.851 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.886 -4.133 9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.617 -5.136 9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.738 -4.215 7.972 1.00 0.00 H new ATOM 814 N TRP A 54 1.267 -4.487 5.248 1.00 0.00 N ATOM 815 CA TRP A 54 0.221 -4.836 4.293 1.00 0.00 C ATOM 816 C TRP A 54 -1.132 -4.303 4.749 1.00 0.00 C ATOM 817 O TRP A 54 -1.923 -3.817 3.940 1.00 0.00 O ATOM 818 CB TRP A 54 0.152 -6.354 4.114 1.00 0.00 C ATOM 819 CG TRP A 54 1.185 -6.888 3.169 1.00 0.00 C ATOM 820 CD1 TRP A 54 2.260 -6.214 2.663 1.00 0.00 C ATOM 821 CD2 TRP A 54 1.240 -8.208 2.617 1.00 0.00 C ATOM 822 NE1 TRP A 54 2.979 -7.036 1.829 1.00 0.00 N ATOM 823 CE2 TRP A 54 2.375 -8.264 1.784 1.00 0.00 C ATOM 824 CE3 TRP A 54 0.443 -9.348 2.746 1.00 0.00 C ATOM 825 CZ2 TRP A 54 2.729 -9.415 1.085 1.00 0.00 C ATOM 826 CZ3 TRP A 54 0.795 -10.490 2.051 1.00 0.00 C ATOM 827 CH2 TRP A 54 1.930 -10.517 1.230 1.00 0.00 C ATOM 0 H TRP A 54 1.583 -5.263 5.831 1.00 0.00 H new ATOM 0 HA TRP A 54 0.468 -4.375 3.336 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.276 -6.833 5.085 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.839 -6.625 3.749 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.508 -5.187 2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.826 -6.774 1.325 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.433 -9.337 3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.603 -9.438 0.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.185 -11.376 2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.179 -11.425 0.701 1.00 0.00 H new ATOM 838 N LYS A 55 -1.394 -4.398 6.048 1.00 0.00 N ATOM 839 CA LYS A 55 -2.652 -3.923 6.612 1.00 0.00 C ATOM 840 C LYS A 55 -2.748 -2.404 6.527 1.00 0.00 C ATOM 841 O LYS A 55 -3.739 -1.861 6.037 1.00 0.00 O ATOM 842 CB LYS A 55 -2.782 -4.372 8.069 1.00 0.00 C ATOM 843 CG LYS A 55 -1.624 -3.932 8.948 1.00 0.00 C ATOM 844 CD LYS A 55 -1.716 -4.538 10.338 1.00 0.00 C ATOM 845 CE LYS A 55 -0.473 -4.237 11.161 1.00 0.00 C ATOM 846 NZ LYS A 55 -0.732 -4.357 12.622 1.00 0.00 N ATOM 0 H LYS A 55 -0.751 -4.800 6.731 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.467 -4.353 6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.710 -3.976 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.858 -5.459 8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.682 -4.225 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.617 -2.845 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.596 -4.147 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.848 -5.617 10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.326 -4.922 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.124 -3.229 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.140 -4.144 13.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.476 -3.685 12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.041 -5.326 12.841 1.00 0.00 H new ATOM 860 N ASP A 56 -1.713 -1.722 7.005 1.00 0.00 N ATOM 861 CA ASP A 56 -1.679 -0.265 6.980 1.00 0.00 C ATOM 862 C ASP A 56 -2.085 0.265 5.608 1.00 0.00 C ATOM 863 O ASP A 56 -2.807 1.257 5.504 1.00 0.00 O ATOM 864 CB ASP A 56 -0.282 0.241 7.343 1.00 0.00 C ATOM 865 CG ASP A 56 0.032 0.068 8.815 1.00 0.00 C ATOM 866 OD1 ASP A 56 -0.858 0.340 9.649 1.00 0.00 O ATOM 867 OD2 ASP A 56 1.168 -0.342 9.135 1.00 0.00 O ATOM 0 H ASP A 56 -0.886 -2.156 7.415 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.393 0.103 7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.460 -0.294 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.201 1.295 7.079 1.00 0.00 H new ATOM 872 N ILE A 57 -1.616 -0.402 4.559 1.00 0.00 N ATOM 873 CA ILE A 57 -1.930 0.002 3.194 1.00 0.00 C ATOM 874 C ILE A 57 -3.418 -0.161 2.902 1.00 0.00 C ATOM 875 O ILE A 57 -4.087 -1.010 3.490 1.00 0.00 O ATOM 876 CB ILE A 57 -1.124 -0.814 2.166 1.00 0.00 C ATOM 877 CG1 ILE A 57 0.375 -0.561 2.344 1.00 0.00 C ATOM 878 CG2 ILE A 57 -1.562 -0.464 0.752 1.00 0.00 C ATOM 879 CD1 ILE A 57 1.237 -1.742 1.959 1.00 0.00 C ATOM 0 H ILE A 57 -1.017 -1.225 4.628 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.657 1.054 3.105 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.317 -1.874 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.664 0.301 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.571 -0.303 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.983 -1.049 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.622 -0.690 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.395 0.598 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.287 -1.491 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.976 -2.600 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.071 -1.987 0.910 1.00 0.00 H new ATOM 891 N SER A 58 -3.928 0.657 1.987 1.00 0.00 N ATOM 892 CA SER A 58 -5.338 0.605 1.617 1.00 0.00 C ATOM 893 C SER A 58 -5.502 0.617 0.100 1.00 0.00 C ATOM 894 O SER A 58 -4.757 1.276 -0.625 1.00 0.00 O ATOM 895 CB SER A 58 -6.092 1.785 2.232 1.00 0.00 C ATOM 896 OG SER A 58 -7.442 1.446 2.496 1.00 0.00 O ATOM 0 H SER A 58 -3.387 1.363 1.488 1.00 0.00 H new ATOM 0 HA SER A 58 -5.756 -0.325 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.603 2.091 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.054 2.638 1.554 1.00 0.00 H new ATOM 0 HG SER A 58 -7.858 2.153 3.032 1.00 0.00 H new ATOM 902 N PRO A 59 -6.501 -0.130 -0.392 1.00 0.00 N ATOM 903 CA PRO A 59 -6.788 -0.223 -1.826 1.00 0.00 C ATOM 904 C PRO A 59 -7.352 1.077 -2.390 1.00 0.00 C ATOM 905 O PRO A 59 -8.422 1.528 -1.985 1.00 0.00 O ATOM 906 CB PRO A 59 -7.834 -1.338 -1.908 1.00 0.00 C ATOM 907 CG PRO A 59 -8.493 -1.338 -0.572 1.00 0.00 C ATOM 908 CD PRO A 59 -7.429 -0.941 0.415 1.00 0.00 C ATOM 0 HA PRO A 59 -5.888 -0.420 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.554 -1.148 -2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.370 -2.301 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.328 -0.638 -0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.896 -2.323 -0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.844 -0.370 1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.933 -1.812 0.844 1.00 0.00 H new ATOM 916 N ALA A 60 -6.623 1.675 -3.327 1.00 0.00 N ATOM 917 CA ALA A 60 -7.052 2.922 -3.948 1.00 0.00 C ATOM 918 C ALA A 60 -8.078 2.664 -5.046 1.00 0.00 C ATOM 919 O ALA A 60 -8.077 1.606 -5.674 1.00 0.00 O ATOM 920 CB ALA A 60 -5.852 3.672 -4.510 1.00 0.00 C ATOM 0 H ALA A 60 -5.733 1.316 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.525 3.537 -3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.187 4.601 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.154 3.898 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.355 3.055 -5.258 1.00 0.00 H new ATOM 926 N ALA A 61 -8.953 3.639 -5.272 1.00 0.00 N ATOM 927 CA ALA A 61 -9.985 3.517 -6.295 1.00 0.00 C ATOM 928 C ALA A 61 -9.548 4.181 -7.596 1.00 0.00 C ATOM 929 O ALA A 61 -9.640 5.401 -7.744 1.00 0.00 O ATOM 930 CB ALA A 61 -11.290 4.124 -5.802 1.00 0.00 C ATOM 0 H ALA A 61 -8.968 4.522 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.143 2.457 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.052 4.026 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.617 3.602 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.137 5.179 -5.574 1.00 0.00 H new ATOM 936 N LEU A 62 -9.073 3.373 -8.537 1.00 0.00 N ATOM 937 CA LEU A 62 -8.621 3.882 -9.827 1.00 0.00 C ATOM 938 C LEU A 62 -9.769 3.921 -10.830 1.00 0.00 C ATOM 939 O LEU A 62 -10.255 2.880 -11.273 1.00 0.00 O ATOM 940 CB LEU A 62 -7.483 3.015 -10.370 1.00 0.00 C ATOM 941 CG LEU A 62 -6.238 2.913 -9.488 1.00 0.00 C ATOM 942 CD1 LEU A 62 -5.438 1.667 -9.837 1.00 0.00 C ATOM 943 CD2 LEU A 62 -5.377 4.160 -9.635 1.00 0.00 C ATOM 0 H LEU A 62 -8.991 2.362 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.257 4.899 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.868 2.009 -10.539 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.184 3.409 -11.341 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.557 2.836 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.556 1.611 -9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.056 0.783 -9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.129 1.714 -10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.495 4.070 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.067 4.267 -10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.952 5.036 -9.336 1.00 0.00 H new ATOM 955 N SER A 63 -10.197 5.128 -11.185 1.00 0.00 N ATOM 956 CA SER A 63 -11.290 5.303 -12.135 1.00 0.00 C ATOM 957 C SER A 63 -10.770 5.290 -13.569 1.00 0.00 C ATOM 958 O SER A 63 -10.324 6.312 -14.089 1.00 0.00 O ATOM 959 CB SER A 63 -12.028 6.614 -11.860 1.00 0.00 C ATOM 960 OG SER A 63 -12.862 6.501 -10.719 1.00 0.00 O ATOM 0 H SER A 63 -9.804 5.999 -10.829 1.00 0.00 H new ATOM 0 HA SER A 63 -11.983 4.471 -12.011 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.306 7.416 -11.708 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.629 6.886 -12.728 1.00 0.00 H new ATOM 0 HG SER A 63 -13.321 7.353 -10.564 1.00 0.00 H new ATOM 966 N GLY A 64 -10.831 4.123 -14.204 1.00 0.00 N ATOM 967 CA GLY A 64 -10.364 3.997 -15.572 1.00 0.00 C ATOM 968 C GLY A 64 -8.869 4.215 -15.696 1.00 0.00 C ATOM 969 O GLY A 64 -8.273 5.011 -14.970 1.00 0.00 O ATOM 0 H GLY A 64 -11.196 3.263 -13.795 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.616 3.006 -15.949 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.887 4.719 -16.199 1.00 0.00 H new ATOM 973 N PRO A 65 -8.238 3.494 -16.635 1.00 0.00 N ATOM 974 CA PRO A 65 -6.795 3.595 -16.873 1.00 0.00 C ATOM 975 C PRO A 65 -6.401 4.931 -17.494 1.00 0.00 C ATOM 976 O PRO A 65 -6.672 5.184 -18.668 1.00 0.00 O ATOM 977 CB PRO A 65 -6.515 2.449 -17.848 1.00 0.00 C ATOM 978 CG PRO A 65 -7.812 2.220 -18.546 1.00 0.00 C ATOM 979 CD PRO A 65 -8.884 2.527 -17.537 1.00 0.00 C ATOM 0 HA PRO A 65 -6.224 3.534 -15.946 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.727 2.713 -18.553 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.185 1.553 -17.322 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.903 2.864 -19.421 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.890 1.191 -18.898 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.771 2.949 -18.009 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.202 1.631 -17.004 1.00 0.00 H new ATOM 987 N SER A 66 -5.760 5.782 -16.700 1.00 0.00 N ATOM 988 CA SER A 66 -5.332 7.094 -17.171 1.00 0.00 C ATOM 989 C SER A 66 -3.944 7.019 -17.800 1.00 0.00 C ATOM 990 O SER A 66 -3.095 6.241 -17.365 1.00 0.00 O ATOM 991 CB SER A 66 -5.329 8.098 -16.017 1.00 0.00 C ATOM 992 OG SER A 66 -5.145 9.420 -16.492 1.00 0.00 O ATOM 0 H SER A 66 -5.525 5.586 -15.727 1.00 0.00 H new ATOM 0 HA SER A 66 -6.038 7.428 -17.931 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.270 8.032 -15.471 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.535 7.847 -15.314 1.00 0.00 H new ATOM 0 HG SER A 66 -5.149 10.043 -15.735 1.00 0.00 H new ATOM 998 N SER A 67 -3.722 7.833 -18.827 1.00 0.00 N ATOM 999 CA SER A 67 -2.438 7.858 -19.519 1.00 0.00 C ATOM 1000 C SER A 67 -1.295 8.090 -18.535 1.00 0.00 C ATOM 1001 O SER A 67 -1.219 9.135 -17.891 1.00 0.00 O ATOM 1002 CB SER A 67 -2.434 8.949 -20.591 1.00 0.00 C ATOM 1003 OG SER A 67 -1.354 8.774 -21.492 1.00 0.00 O ATOM 0 H SER A 67 -4.414 8.484 -19.198 1.00 0.00 H new ATOM 0 HA SER A 67 -2.291 6.889 -19.997 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.376 8.928 -21.139 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.362 9.928 -20.118 1.00 0.00 H new ATOM 0 HG SER A 67 -1.374 9.483 -22.169 1.00 0.00 H new ATOM 1009 N GLY A 68 -0.407 7.106 -18.426 1.00 0.00 N ATOM 1010 CA GLY A 68 0.720 7.222 -17.520 1.00 0.00 C ATOM 1011 C GLY A 68 1.306 5.874 -17.148 1.00 0.00 C ATOM 1012 O GLY A 68 2.333 5.466 -17.688 1.00 0.00 O ATOM 0 H GLY A 68 -0.448 6.231 -18.949 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.493 7.835 -17.983 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.403 7.739 -16.615 1.00 0.00 H new TER 1016 GLY A 68