USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -51:sc= 0.618 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 14:sc= 0.34 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.27 K(o=1.3,f=-0.067) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -19:sc= -0.787 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.364 USER MOD Single : A 51 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.078 K(o=-0.078,f=-1.4!) USER MOD Single : A 60 ASN : amide:sc= -0.0558 X(o=-0.056,f=-0.056) USER MOD Single : A 63 GLN : amide:sc= -3.14! C(o=-3.1!,f=-2.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.340 11.823 -10.931 1.00 0.00 N ATOM 2 CA GLY A 1 21.924 12.295 -12.173 1.00 0.00 C ATOM 3 C GLY A 1 21.149 11.832 -13.391 1.00 0.00 C ATOM 4 O GLY A 1 20.391 12.600 -13.982 1.00 0.00 O ATOM 0 H1 GLY A 1 21.906 12.166 -10.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.367 12.181 -10.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.328 10.783 -10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.961 13.384 -12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.953 11.941 -12.245 1.00 0.00 H new ATOM 8 N SER A 2 21.341 10.572 -13.769 1.00 0.00 N ATOM 9 CA SER A 2 20.658 10.009 -14.928 1.00 0.00 C ATOM 10 C SER A 2 19.677 8.920 -14.504 1.00 0.00 C ATOM 11 O SER A 2 19.567 7.881 -15.155 1.00 0.00 O ATOM 12 CB SER A 2 21.675 9.437 -15.917 1.00 0.00 C ATOM 13 OG SER A 2 21.039 8.994 -17.103 1.00 0.00 O ATOM 0 H SER A 2 21.964 9.922 -13.290 1.00 0.00 H new ATOM 0 HA SER A 2 20.099 10.809 -15.414 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.417 10.197 -16.161 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.209 8.607 -15.455 1.00 0.00 H new ATOM 0 HG SER A 2 20.293 8.402 -16.872 1.00 0.00 H new ATOM 19 N SER A 3 18.965 9.167 -13.409 1.00 0.00 N ATOM 20 CA SER A 3 17.995 8.208 -12.896 1.00 0.00 C ATOM 21 C SER A 3 17.182 8.814 -11.756 1.00 0.00 C ATOM 22 O SER A 3 17.573 9.821 -11.167 1.00 0.00 O ATOM 23 CB SER A 3 18.704 6.941 -12.413 1.00 0.00 C ATOM 24 OG SER A 3 19.553 7.220 -11.313 1.00 0.00 O ATOM 0 H SER A 3 19.042 10.023 -12.860 1.00 0.00 H new ATOM 0 HA SER A 3 17.315 7.949 -13.707 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.964 6.194 -12.125 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.288 6.514 -13.228 1.00 0.00 H new ATOM 0 HG SER A 3 19.993 6.394 -11.022 1.00 0.00 H new ATOM 30 N GLY A 4 16.046 8.193 -11.451 1.00 0.00 N ATOM 31 CA GLY A 4 15.195 8.685 -10.383 1.00 0.00 C ATOM 32 C GLY A 4 14.514 7.565 -9.622 1.00 0.00 C ATOM 33 O GLY A 4 13.295 7.572 -9.451 1.00 0.00 O ATOM 0 H GLY A 4 15.700 7.358 -11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.792 9.279 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.438 9.348 -10.802 1.00 0.00 H new ATOM 37 N SER A 5 15.303 6.598 -9.164 1.00 0.00 N ATOM 38 CA SER A 5 14.768 5.462 -8.422 1.00 0.00 C ATOM 39 C SER A 5 14.544 5.828 -6.957 1.00 0.00 C ATOM 40 O SER A 5 15.437 6.354 -6.294 1.00 0.00 O ATOM 41 CB SER A 5 15.718 4.267 -8.521 1.00 0.00 C ATOM 42 OG SER A 5 15.973 3.930 -9.874 1.00 0.00 O ATOM 0 H SER A 5 16.315 6.578 -9.294 1.00 0.00 H new ATOM 0 HA SER A 5 13.809 5.191 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.656 4.501 -8.018 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.285 3.410 -8.005 1.00 0.00 H new ATOM 0 HG SER A 5 16.584 3.165 -9.911 1.00 0.00 H new ATOM 48 N SER A 6 13.344 5.545 -6.460 1.00 0.00 N ATOM 49 CA SER A 6 13.000 5.846 -5.076 1.00 0.00 C ATOM 50 C SER A 6 11.955 4.867 -4.550 1.00 0.00 C ATOM 51 O SER A 6 11.433 4.039 -5.295 1.00 0.00 O ATOM 52 CB SER A 6 12.476 7.279 -4.959 1.00 0.00 C ATOM 53 OG SER A 6 13.537 8.217 -5.023 1.00 0.00 O ATOM 0 H SER A 6 12.594 5.108 -6.996 1.00 0.00 H new ATOM 0 HA SER A 6 13.903 5.745 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.764 7.476 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.938 7.397 -4.018 1.00 0.00 H new ATOM 0 HG SER A 6 14.349 7.771 -5.343 1.00 0.00 H new ATOM 59 N GLY A 7 11.655 4.968 -3.258 1.00 0.00 N ATOM 60 CA GLY A 7 10.675 4.085 -2.653 1.00 0.00 C ATOM 61 C GLY A 7 10.073 4.667 -1.390 1.00 0.00 C ATOM 62 O GLY A 7 10.790 4.974 -0.436 1.00 0.00 O ATOM 0 H GLY A 7 12.073 5.645 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.880 3.883 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.145 3.130 -2.421 1.00 0.00 H new ATOM 66 N LEU A 8 8.753 4.821 -1.381 1.00 0.00 N ATOM 67 CA LEU A 8 8.055 5.372 -0.225 1.00 0.00 C ATOM 68 C LEU A 8 7.573 4.260 0.701 1.00 0.00 C ATOM 69 O LEU A 8 7.623 3.080 0.350 1.00 0.00 O ATOM 70 CB LEU A 8 6.868 6.223 -0.680 1.00 0.00 C ATOM 71 CG LEU A 8 7.159 7.703 -0.930 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.968 8.289 0.217 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.893 7.886 -2.250 1.00 0.00 C ATOM 0 H LEU A 8 8.145 4.572 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 8 8.755 6.000 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.468 5.792 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.084 6.150 0.074 1.00 0.00 H new ATOM 0 HG LEU A 8 6.210 8.236 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.166 9.343 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.406 8.191 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.913 7.753 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.092 8.945 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.836 7.340 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.278 7.504 -3.065 1.00 0.00 H new ATOM 85 N LEU A 9 7.105 4.643 1.884 1.00 0.00 N ATOM 86 CA LEU A 9 6.611 3.678 2.860 1.00 0.00 C ATOM 87 C LEU A 9 5.253 4.104 3.407 1.00 0.00 C ATOM 88 O LEU A 9 5.077 5.241 3.844 1.00 0.00 O ATOM 89 CB LEU A 9 7.612 3.527 4.008 1.00 0.00 C ATOM 90 CG LEU A 9 9.003 3.022 3.623 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.960 3.148 4.799 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.933 1.580 3.142 1.00 0.00 C ATOM 0 H LEU A 9 7.057 5.615 2.190 1.00 0.00 H new ATOM 0 HA LEU A 9 6.495 2.717 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.721 4.495 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.190 2.843 4.744 1.00 0.00 H new ATOM 0 HG LEU A 9 9.379 3.638 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.945 2.784 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.033 4.194 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.588 2.557 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.932 1.237 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.536 0.950 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.281 1.518 2.271 1.00 0.00 H new ATOM 104 N ALA A 10 4.295 3.183 3.382 1.00 0.00 N ATOM 105 CA ALA A 10 2.954 3.461 3.879 1.00 0.00 C ATOM 106 C ALA A 10 2.437 2.312 4.737 1.00 0.00 C ATOM 107 O ALA A 10 2.791 1.153 4.518 1.00 0.00 O ATOM 108 CB ALA A 10 2.005 3.725 2.719 1.00 0.00 C ATOM 0 H ALA A 10 4.423 2.237 3.022 1.00 0.00 H new ATOM 0 HA ALA A 10 3.003 4.353 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.007 3.931 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.358 4.584 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.970 2.849 2.071 1.00 0.00 H new ATOM 114 N ARG A 11 1.597 2.639 5.714 1.00 0.00 N ATOM 115 CA ARG A 11 1.033 1.634 6.606 1.00 0.00 C ATOM 116 C ARG A 11 -0.325 1.157 6.099 1.00 0.00 C ATOM 117 O ARG A 11 -0.940 1.799 5.248 1.00 0.00 O ATOM 118 CB ARG A 11 0.891 2.198 8.021 1.00 0.00 C ATOM 119 CG ARG A 11 0.489 1.159 9.054 1.00 0.00 C ATOM 120 CD ARG A 11 0.407 1.761 10.448 1.00 0.00 C ATOM 121 NE ARG A 11 -0.274 0.875 11.388 1.00 0.00 N ATOM 122 CZ ARG A 11 -0.454 1.164 12.672 1.00 0.00 C ATOM 123 NH1 ARG A 11 -0.007 2.310 13.166 1.00 0.00 N ATOM 124 NH2 ARG A 11 -1.083 0.306 13.465 1.00 0.00 N ATOM 0 H ARG A 11 1.292 3.593 5.908 1.00 0.00 H new ATOM 0 HA ARG A 11 1.713 0.783 6.628 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.838 2.648 8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.148 2.995 8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.476 0.731 8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.212 0.343 9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.413 1.971 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.120 2.714 10.401 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.631 -0.015 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.477 2.973 12.560 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.147 2.529 14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.429 -0.577 13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.221 0.529 14.451 1.00 0.00 H new ATOM 138 N ALA A 12 -0.784 0.028 6.627 1.00 0.00 N ATOM 139 CA ALA A 12 -2.069 -0.534 6.228 1.00 0.00 C ATOM 140 C ALA A 12 -3.094 -0.409 7.350 1.00 0.00 C ATOM 141 O ALA A 12 -3.102 -1.205 8.290 1.00 0.00 O ATOM 142 CB ALA A 12 -1.905 -1.991 5.821 1.00 0.00 C ATOM 0 H ALA A 12 -0.286 -0.516 7.332 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.435 0.032 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.872 -2.397 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.212 -2.059 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.513 -2.562 6.663 1.00 0.00 H new ATOM 148 N LEU A 13 -3.958 0.595 7.246 1.00 0.00 N ATOM 149 CA LEU A 13 -4.989 0.825 8.253 1.00 0.00 C ATOM 150 C LEU A 13 -6.057 -0.262 8.197 1.00 0.00 C ATOM 151 O LEU A 13 -6.762 -0.504 9.177 1.00 0.00 O ATOM 152 CB LEU A 13 -5.631 2.198 8.050 1.00 0.00 C ATOM 153 CG LEU A 13 -4.667 3.360 7.804 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.435 4.622 7.439 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.797 3.599 9.029 1.00 0.00 C ATOM 0 H LEU A 13 -3.965 1.263 6.475 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.516 0.794 9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.316 2.135 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.231 2.430 8.930 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.019 3.099 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.733 5.438 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.015 4.446 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.108 4.887 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.117 4.429 8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.430 3.839 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.220 2.700 9.246 1.00 0.00 H new ATOM 167 N TYR A 14 -6.169 -0.915 7.046 1.00 0.00 N ATOM 168 CA TYR A 14 -7.152 -1.977 6.862 1.00 0.00 C ATOM 169 C TYR A 14 -6.579 -3.109 6.015 1.00 0.00 C ATOM 170 O TYR A 14 -5.601 -2.922 5.289 1.00 0.00 O ATOM 171 CB TYR A 14 -8.416 -1.422 6.204 1.00 0.00 C ATOM 172 CG TYR A 14 -8.959 -0.185 6.883 1.00 0.00 C ATOM 173 CD1 TYR A 14 -9.851 -0.285 7.943 1.00 0.00 C ATOM 174 CD2 TYR A 14 -8.580 1.085 6.464 1.00 0.00 C ATOM 175 CE1 TYR A 14 -10.350 0.842 8.566 1.00 0.00 C ATOM 176 CE2 TYR A 14 -9.073 2.218 7.081 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.958 2.091 8.132 1.00 0.00 C ATOM 178 OH TYR A 14 -10.452 3.218 8.749 1.00 0.00 O ATOM 0 H TYR A 14 -5.592 -0.728 6.226 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.407 -2.376 7.844 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.200 -1.189 5.161 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.185 -2.194 6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.160 -1.261 8.286 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.888 1.188 5.641 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.043 0.746 9.388 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.768 3.197 6.743 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.075 4.016 8.323 1.00 0.00 H new ATOM 188 N ASP A 15 -7.195 -4.281 6.111 1.00 0.00 N ATOM 189 CA ASP A 15 -6.748 -5.444 5.353 1.00 0.00 C ATOM 190 C ASP A 15 -7.318 -5.422 3.938 1.00 0.00 C ATOM 191 O ASP A 15 -8.183 -4.607 3.620 1.00 0.00 O ATOM 192 CB ASP A 15 -7.165 -6.733 6.063 1.00 0.00 C ATOM 193 CG ASP A 15 -7.021 -6.637 7.569 1.00 0.00 C ATOM 194 OD1 ASP A 15 -7.705 -5.787 8.178 1.00 0.00 O ATOM 195 OD2 ASP A 15 -6.225 -7.411 8.140 1.00 0.00 O ATOM 0 H ASP A 15 -8.006 -4.452 6.706 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.660 -5.409 5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.201 -6.963 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.558 -7.560 5.695 1.00 0.00 H new ATOM 200 N ASN A 16 -6.826 -6.322 3.093 1.00 0.00 N ATOM 201 CA ASN A 16 -7.285 -6.404 1.711 1.00 0.00 C ATOM 202 C ASN A 16 -7.341 -7.854 1.242 1.00 0.00 C ATOM 203 O ASN A 16 -6.489 -8.667 1.602 1.00 0.00 O ATOM 204 CB ASN A 16 -6.363 -5.596 0.796 1.00 0.00 C ATOM 205 CG ASN A 16 -6.968 -5.361 -0.574 1.00 0.00 C ATOM 206 OD1 ASN A 16 -8.028 -4.747 -0.700 1.00 0.00 O ATOM 207 ND2 ASN A 16 -6.296 -5.850 -1.609 1.00 0.00 N ATOM 0 H ASN A 16 -6.110 -7.005 3.341 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.290 -5.986 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.144 -4.636 1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.414 -6.121 0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.654 -5.723 -2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.421 -6.352 -1.458 1.00 0.00 H new ATOM 214 N CYS A 17 -8.349 -8.171 0.437 1.00 0.00 N ATOM 215 CA CYS A 17 -8.517 -9.524 -0.082 1.00 0.00 C ATOM 216 C CYS A 17 -8.699 -9.507 -1.596 1.00 0.00 C ATOM 217 O CYS A 17 -9.817 -9.487 -2.112 1.00 0.00 O ATOM 218 CB CYS A 17 -9.717 -10.201 0.580 1.00 0.00 C ATOM 219 SG CYS A 17 -9.330 -11.029 2.141 1.00 0.00 S ATOM 0 H CYS A 17 -9.062 -7.510 0.130 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.615 -10.090 0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.489 -9.453 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.136 -10.931 -0.112 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.409 -11.569 2.625 1.00 0.00 H new ATOM 225 N PRO A 18 -7.575 -9.513 -2.328 1.00 0.00 N ATOM 226 CA PRO A 18 -7.584 -9.497 -3.794 1.00 0.00 C ATOM 227 C PRO A 18 -8.093 -10.808 -4.384 1.00 0.00 C ATOM 228 O PRO A 18 -8.221 -11.809 -3.679 1.00 0.00 O ATOM 229 CB PRO A 18 -6.113 -9.283 -4.156 1.00 0.00 C ATOM 230 CG PRO A 18 -5.354 -9.812 -2.987 1.00 0.00 C ATOM 231 CD PRO A 18 -6.208 -9.537 -1.781 1.00 0.00 C ATOM 0 HA PRO A 18 -8.250 -8.730 -4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.850 -9.813 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.896 -8.228 -4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.164 -10.880 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.384 -9.323 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.093 -10.311 -1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.947 -8.589 -1.311 1.00 0.00 H new ATOM 239 N ASP A 19 -8.380 -10.795 -5.681 1.00 0.00 N ATOM 240 CA ASP A 19 -8.873 -11.984 -6.367 1.00 0.00 C ATOM 241 C ASP A 19 -8.001 -12.315 -7.575 1.00 0.00 C ATOM 242 O ASP A 19 -7.885 -13.476 -7.968 1.00 0.00 O ATOM 243 CB ASP A 19 -10.322 -11.779 -6.810 1.00 0.00 C ATOM 244 CG ASP A 19 -11.080 -10.838 -5.894 1.00 0.00 C ATOM 245 OD1 ASP A 19 -10.967 -9.609 -6.082 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.786 -11.330 -4.989 1.00 0.00 O ATOM 0 H ASP A 19 -8.280 -9.974 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.829 -12.820 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.336 -11.383 -7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.830 -12.743 -6.837 1.00 0.00 H new ATOM 251 N CYS A 20 -7.392 -11.289 -8.157 1.00 0.00 N ATOM 252 CA CYS A 20 -6.532 -11.471 -9.322 1.00 0.00 C ATOM 253 C CYS A 20 -5.061 -11.409 -8.925 1.00 0.00 C ATOM 254 O CYS A 20 -4.729 -11.137 -7.772 1.00 0.00 O ATOM 255 CB CYS A 20 -6.834 -10.406 -10.376 1.00 0.00 C ATOM 256 SG CYS A 20 -8.336 -10.720 -11.334 1.00 0.00 S ATOM 0 H CYS A 20 -7.477 -10.323 -7.842 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.735 -12.456 -9.743 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.926 -9.438 -9.883 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.988 -10.336 -11.060 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.508 -9.764 -12.198 1.00 0.00 H new ATOM 262 N SER A 21 -4.182 -11.664 -9.890 1.00 0.00 N ATOM 263 CA SER A 21 -2.746 -11.643 -9.641 1.00 0.00 C ATOM 264 C SER A 21 -2.167 -10.258 -9.915 1.00 0.00 C ATOM 265 O SER A 21 -1.032 -10.127 -10.372 1.00 0.00 O ATOM 266 CB SER A 21 -2.040 -12.684 -10.511 1.00 0.00 C ATOM 267 OG SER A 21 -1.988 -13.942 -9.860 1.00 0.00 O ATOM 0 H SER A 21 -4.440 -11.887 -10.851 1.00 0.00 H new ATOM 0 HA SER A 21 -2.581 -11.886 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.564 -12.784 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.029 -12.347 -10.739 1.00 0.00 H new ATOM 0 HG SER A 21 -1.534 -14.591 -10.437 1.00 0.00 H new ATOM 273 N ASP A 22 -2.957 -9.227 -9.634 1.00 0.00 N ATOM 274 CA ASP A 22 -2.525 -7.851 -9.849 1.00 0.00 C ATOM 275 C ASP A 22 -2.538 -7.067 -8.541 1.00 0.00 C ATOM 276 O ASP A 22 -1.602 -6.326 -8.242 1.00 0.00 O ATOM 277 CB ASP A 22 -3.425 -7.166 -10.878 1.00 0.00 C ATOM 278 CG ASP A 22 -3.769 -8.074 -12.042 1.00 0.00 C ATOM 279 OD1 ASP A 22 -2.844 -8.704 -12.597 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.963 -8.156 -12.398 1.00 0.00 O ATOM 0 H ASP A 22 -3.900 -9.319 -9.257 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.504 -7.872 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.344 -6.839 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.928 -6.272 -11.253 1.00 0.00 H new ATOM 285 N GLU A 23 -3.605 -7.235 -7.766 1.00 0.00 N ATOM 286 CA GLU A 23 -3.739 -6.540 -6.491 1.00 0.00 C ATOM 287 C GLU A 23 -2.820 -7.153 -5.438 1.00 0.00 C ATOM 288 O GLU A 23 -2.239 -8.218 -5.649 1.00 0.00 O ATOM 289 CB GLU A 23 -5.190 -6.591 -6.008 1.00 0.00 C ATOM 290 CG GLU A 23 -6.102 -5.601 -6.715 1.00 0.00 C ATOM 291 CD GLU A 23 -6.349 -5.969 -8.165 1.00 0.00 C ATOM 292 OE1 GLU A 23 -6.877 -7.073 -8.416 1.00 0.00 O ATOM 293 OE2 GLU A 23 -6.016 -5.152 -9.049 1.00 0.00 O ATOM 0 H GLU A 23 -4.388 -7.846 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.449 -5.500 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.578 -7.599 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.215 -6.394 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.055 -5.551 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.659 -4.606 -6.667 1.00 0.00 H new ATOM 300 N LEU A 24 -2.692 -6.472 -4.305 1.00 0.00 N ATOM 301 CA LEU A 24 -1.843 -6.947 -3.218 1.00 0.00 C ATOM 302 C LEU A 24 -2.683 -7.382 -2.022 1.00 0.00 C ATOM 303 O LEU A 24 -3.788 -6.882 -1.811 1.00 0.00 O ATOM 304 CB LEU A 24 -0.862 -5.853 -2.796 1.00 0.00 C ATOM 305 CG LEU A 24 0.483 -6.333 -2.248 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.504 -5.206 -2.277 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.322 -6.873 -0.835 1.00 0.00 C ATOM 0 H LEU A 24 -3.165 -5.589 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.282 -7.810 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.673 -5.211 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.342 -5.236 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 24 0.845 -7.140 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.455 -5.566 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.642 -4.866 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.148 -4.377 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.289 -7.210 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.063 -6.086 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.375 -7.711 -0.843 1.00 0.00 H new ATOM 319 N ALA A 25 -2.151 -8.316 -1.240 1.00 0.00 N ATOM 320 CA ALA A 25 -2.849 -8.816 -0.062 1.00 0.00 C ATOM 321 C ALA A 25 -2.081 -8.485 1.213 1.00 0.00 C ATOM 322 O ALA A 25 -1.025 -9.059 1.480 1.00 0.00 O ATOM 323 CB ALA A 25 -3.068 -10.317 -0.175 1.00 0.00 C ATOM 0 H ALA A 25 -1.238 -8.742 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.819 -8.322 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.590 -10.676 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.666 -10.532 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.105 -10.820 -0.257 1.00 0.00 H new ATOM 329 N PHE A 26 -2.617 -7.556 1.998 1.00 0.00 N ATOM 330 CA PHE A 26 -1.980 -7.148 3.244 1.00 0.00 C ATOM 331 C PHE A 26 -2.995 -7.101 4.383 1.00 0.00 C ATOM 332 O PHE A 26 -4.203 -7.046 4.151 1.00 0.00 O ATOM 333 CB PHE A 26 -1.318 -5.779 3.079 1.00 0.00 C ATOM 334 CG PHE A 26 -2.224 -4.744 2.475 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.112 -4.034 3.266 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.187 -4.481 1.115 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.947 -3.081 2.713 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.018 -3.529 0.556 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.900 -2.829 1.356 1.00 0.00 C ATOM 0 H PHE A 26 -3.491 -7.072 1.793 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.216 -7.885 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.978 -5.429 4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.433 -5.886 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.153 -4.227 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.501 -5.027 0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.635 -2.535 3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.978 -3.332 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.552 -2.086 0.921 1.00 0.00 H new ATOM 349 N SER A 27 -2.495 -7.124 5.614 1.00 0.00 N ATOM 350 CA SER A 27 -3.357 -7.089 6.790 1.00 0.00 C ATOM 351 C SER A 27 -3.171 -5.785 7.561 1.00 0.00 C ATOM 352 O SER A 27 -2.174 -5.085 7.386 1.00 0.00 O ATOM 353 CB SER A 27 -3.061 -8.281 7.702 1.00 0.00 C ATOM 354 OG SER A 27 -1.690 -8.319 8.062 1.00 0.00 O ATOM 0 H SER A 27 -1.498 -7.167 5.823 1.00 0.00 H new ATOM 0 HA SER A 27 -4.392 -7.147 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.675 -8.217 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.333 -9.207 7.196 1.00 0.00 H new ATOM 0 HG SER A 27 -1.526 -9.089 8.646 1.00 0.00 H new ATOM 360 N ARG A 28 -4.139 -5.467 8.415 1.00 0.00 N ATOM 361 CA ARG A 28 -4.084 -4.248 9.212 1.00 0.00 C ATOM 362 C ARG A 28 -2.821 -4.214 10.068 1.00 0.00 C ATOM 363 O ARG A 28 -2.606 -5.085 10.909 1.00 0.00 O ATOM 364 CB ARG A 28 -5.321 -4.141 10.105 1.00 0.00 C ATOM 365 CG ARG A 28 -5.247 -3.006 11.113 1.00 0.00 C ATOM 366 CD ARG A 28 -4.560 -3.444 12.397 1.00 0.00 C ATOM 367 NE ARG A 28 -4.801 -2.510 13.493 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.085 -2.490 14.612 1.00 0.00 C ATOM 369 NH1 ARG A 28 -3.089 -3.349 14.782 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.365 -1.609 15.565 1.00 0.00 N ATOM 0 H ARG A 28 -4.970 -6.037 8.572 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.062 -3.398 8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.201 -4.002 9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.456 -5.082 10.639 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.705 -2.166 10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.253 -2.653 11.340 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.917 -4.434 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.487 -3.530 12.223 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.560 -1.836 13.394 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.871 -4.028 14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.541 -3.331 15.642 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.130 -0.947 15.438 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.815 -1.594 16.424 1.00 0.00 H new ATOM 384 N GLY A 29 -1.987 -3.202 9.845 1.00 0.00 N ATOM 385 CA GLY A 29 -0.756 -3.074 10.602 1.00 0.00 C ATOM 386 C GLY A 29 0.443 -3.628 9.858 1.00 0.00 C ATOM 387 O GLY A 29 1.369 -4.162 10.468 1.00 0.00 O ATOM 0 H GLY A 29 -2.143 -2.469 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.583 -2.023 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.862 -3.596 11.553 1.00 0.00 H new ATOM 391 N ASP A 30 0.426 -3.501 8.536 1.00 0.00 N ATOM 392 CA ASP A 30 1.520 -3.993 7.706 1.00 0.00 C ATOM 393 C ASP A 30 2.229 -2.841 7.003 1.00 0.00 C ATOM 394 O ASP A 30 1.609 -1.835 6.658 1.00 0.00 O ATOM 395 CB ASP A 30 0.995 -4.992 6.674 1.00 0.00 C ATOM 396 CG ASP A 30 2.029 -6.038 6.303 1.00 0.00 C ATOM 397 OD1 ASP A 30 3.210 -5.670 6.129 1.00 0.00 O ATOM 398 OD2 ASP A 30 1.657 -7.224 6.188 1.00 0.00 O ATOM 0 H ASP A 30 -0.333 -3.062 8.016 1.00 0.00 H new ATOM 0 HA ASP A 30 2.238 -4.496 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.108 -5.486 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.687 -4.455 5.777 1.00 0.00 H new ATOM 403 N ILE A 31 3.533 -2.994 6.794 1.00 0.00 N ATOM 404 CA ILE A 31 4.326 -1.966 6.132 1.00 0.00 C ATOM 405 C ILE A 31 4.534 -2.297 4.658 1.00 0.00 C ATOM 406 O ILE A 31 5.294 -3.203 4.315 1.00 0.00 O ATOM 407 CB ILE A 31 5.700 -1.794 6.807 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.527 -1.515 8.302 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.480 -0.671 6.140 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.661 -0.310 8.596 1.00 0.00 C ATOM 0 H ILE A 31 4.062 -3.820 7.074 1.00 0.00 H new ATOM 0 HA ILE A 31 3.769 -1.033 6.217 1.00 0.00 H new ATOM 0 HB ILE A 31 6.264 -2.720 6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.089 -2.392 8.779 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.509 -1.365 8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.449 -0.561 6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.629 -0.907 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.922 0.261 6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.582 -0.173 9.674 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.109 0.578 8.149 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.667 -0.465 8.177 1.00 0.00 H new ATOM 422 N LEU A 32 3.855 -1.555 3.790 1.00 0.00 N ATOM 423 CA LEU A 32 3.967 -1.767 2.351 1.00 0.00 C ATOM 424 C LEU A 32 4.964 -0.793 1.732 1.00 0.00 C ATOM 425 O LEU A 32 4.918 0.410 1.993 1.00 0.00 O ATOM 426 CB LEU A 32 2.599 -1.606 1.684 1.00 0.00 C ATOM 427 CG LEU A 32 1.691 -2.836 1.713 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.473 -4.087 1.346 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.045 -2.991 3.082 1.00 0.00 C ATOM 0 H LEU A 32 3.221 -0.802 4.057 1.00 0.00 H new ATOM 0 HA LEU A 32 4.329 -2.782 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.076 -0.781 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.755 -1.319 0.644 1.00 0.00 H new ATOM 0 HG LEU A 32 0.901 -2.697 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.810 -4.952 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.886 -3.977 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.285 -4.231 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.402 -3.871 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.820 -3.106 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.449 -2.106 3.305 1.00 0.00 H new ATOM 441 N THR A 33 5.866 -1.320 0.910 1.00 0.00 N ATOM 442 CA THR A 33 6.874 -0.497 0.253 1.00 0.00 C ATOM 443 C THR A 33 6.382 -0.003 -1.103 1.00 0.00 C ATOM 444 O THR A 33 6.412 -0.738 -2.090 1.00 0.00 O ATOM 445 CB THR A 33 8.191 -1.272 0.057 1.00 0.00 C ATOM 446 OG1 THR A 33 8.701 -1.699 1.325 1.00 0.00 O ATOM 447 CG2 THR A 33 9.227 -0.409 -0.648 1.00 0.00 C ATOM 0 H THR A 33 5.919 -2.313 0.683 1.00 0.00 H new ATOM 0 HA THR A 33 7.057 0.358 0.904 1.00 0.00 H new ATOM 0 HB THR A 33 7.985 -2.144 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.537 -2.192 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.148 -0.977 -0.775 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.847 -0.110 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.429 0.479 -0.050 1.00 0.00 H new ATOM 455 N ILE A 34 5.931 1.246 -1.143 1.00 0.00 N ATOM 456 CA ILE A 34 5.434 1.839 -2.379 1.00 0.00 C ATOM 457 C ILE A 34 6.548 1.969 -3.413 1.00 0.00 C ATOM 458 O ILE A 34 7.413 2.839 -3.303 1.00 0.00 O ATOM 459 CB ILE A 34 4.816 3.227 -2.129 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.744 3.144 -1.040 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.229 3.785 -3.417 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.351 4.491 -0.476 1.00 0.00 C ATOM 0 H ILE A 34 5.899 1.867 -0.334 1.00 0.00 H new ATOM 0 HA ILE A 34 4.662 1.171 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 34 5.601 3.902 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.858 2.658 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.108 2.512 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.796 4.766 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.016 3.876 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.454 3.112 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.588 4.356 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.226 4.971 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.956 5.119 -1.275 1.00 0.00 H new ATOM 474 N LEU A 35 6.520 1.100 -4.417 1.00 0.00 N ATOM 475 CA LEU A 35 7.526 1.118 -5.473 1.00 0.00 C ATOM 476 C LEU A 35 7.352 2.339 -6.370 1.00 0.00 C ATOM 477 O LEU A 35 8.323 3.012 -6.712 1.00 0.00 O ATOM 478 CB LEU A 35 7.439 -0.160 -6.309 1.00 0.00 C ATOM 479 CG LEU A 35 7.658 -1.472 -5.555 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.099 -2.643 -6.348 1.00 0.00 C ATOM 481 CD2 LEU A 35 9.137 -1.680 -5.264 1.00 0.00 C ATOM 0 H LEU A 35 5.811 0.374 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 35 8.509 1.172 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.457 -0.195 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.176 -0.097 -7.110 1.00 0.00 H new ATOM 0 HG LEU A 35 7.126 -1.416 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.264 -3.568 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.030 -2.499 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.602 -2.702 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.274 -2.619 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.691 -1.715 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.507 -0.856 -4.654 1.00 0.00 H new ATOM 493 N GLU A 36 6.108 2.619 -6.745 1.00 0.00 N ATOM 494 CA GLU A 36 5.807 3.761 -7.601 1.00 0.00 C ATOM 495 C GLU A 36 4.394 4.276 -7.345 1.00 0.00 C ATOM 496 O GLU A 36 3.439 3.501 -7.300 1.00 0.00 O ATOM 497 CB GLU A 36 5.962 3.376 -9.074 1.00 0.00 C ATOM 498 CG GLU A 36 4.808 2.548 -9.612 1.00 0.00 C ATOM 499 CD GLU A 36 5.119 1.916 -10.955 1.00 0.00 C ATOM 500 OE1 GLU A 36 4.993 2.613 -11.983 1.00 0.00 O ATOM 501 OE2 GLU A 36 5.489 0.723 -10.977 1.00 0.00 O ATOM 0 H GLU A 36 5.293 2.071 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 36 6.513 4.557 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.055 4.284 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.889 2.816 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.562 1.765 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.926 3.181 -9.708 1.00 0.00 H new ATOM 508 N GLN A 37 4.271 5.589 -7.176 1.00 0.00 N ATOM 509 CA GLN A 37 2.975 6.207 -6.922 1.00 0.00 C ATOM 510 C GLN A 37 2.278 6.567 -8.230 1.00 0.00 C ATOM 511 O GLN A 37 1.049 6.597 -8.303 1.00 0.00 O ATOM 512 CB GLN A 37 3.144 7.460 -6.060 1.00 0.00 C ATOM 513 CG GLN A 37 3.457 7.157 -4.604 1.00 0.00 C ATOM 514 CD GLN A 37 3.451 8.400 -3.735 1.00 0.00 C ATOM 515 OE1 GLN A 37 3.387 9.522 -4.238 1.00 0.00 O ATOM 516 NE2 GLN A 37 3.519 8.207 -2.423 1.00 0.00 N ATOM 0 H GLN A 37 5.052 6.244 -7.210 1.00 0.00 H new ATOM 0 HA GLN A 37 2.356 5.487 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.945 8.072 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.231 8.052 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.726 6.446 -4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.433 6.677 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.571 7.259 -2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.520 9.006 -1.789 1.00 0.00 H new ATOM 525 N HIS A 38 3.071 6.839 -9.262 1.00 0.00 N ATOM 526 CA HIS A 38 2.530 7.197 -10.569 1.00 0.00 C ATOM 527 C HIS A 38 2.126 5.949 -11.349 1.00 0.00 C ATOM 528 O HIS A 38 2.927 5.386 -12.096 1.00 0.00 O ATOM 529 CB HIS A 38 3.556 8.002 -11.366 1.00 0.00 C ATOM 530 CG HIS A 38 3.606 9.450 -10.987 1.00 0.00 C ATOM 531 ND1 HIS A 38 4.173 9.903 -9.815 1.00 0.00 N ATOM 532 CD2 HIS A 38 3.156 10.551 -11.635 1.00 0.00 C ATOM 533 CE1 HIS A 38 4.069 11.218 -9.757 1.00 0.00 C ATOM 534 NE2 HIS A 38 3.456 11.636 -10.849 1.00 0.00 N ATOM 0 H HIS A 38 4.090 6.818 -9.219 1.00 0.00 H new ATOM 0 HA HIS A 38 1.642 7.810 -10.413 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.543 7.563 -11.221 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.324 7.921 -12.428 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.655 10.572 -12.591 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.425 11.845 -8.953 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.240 12.608 -11.073 1.00 0.00 H new ATOM 543 N VAL A 39 0.880 5.522 -11.170 1.00 0.00 N ATOM 544 CA VAL A 39 0.371 4.342 -11.858 1.00 0.00 C ATOM 545 C VAL A 39 -0.889 4.669 -12.651 1.00 0.00 C ATOM 546 O VAL A 39 -2.006 4.627 -12.134 1.00 0.00 O ATOM 547 CB VAL A 39 0.059 3.205 -10.866 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.188 1.901 -11.609 1.00 0.00 C ATOM 549 CG2 VAL A 39 1.191 3.050 -9.862 1.00 0.00 C ATOM 0 H VAL A 39 0.205 5.976 -10.555 1.00 0.00 H new ATOM 0 HA VAL A 39 1.153 4.013 -12.543 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.849 3.461 -10.320 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.407 1.110 -10.892 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.034 2.022 -12.285 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.700 1.635 -12.183 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.955 2.243 -9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.116 2.816 -10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.315 3.980 -9.307 1.00 0.00 H new ATOM 559 N PRO A 40 -0.709 5.002 -13.938 1.00 0.00 N ATOM 560 CA PRO A 40 -1.820 5.343 -14.831 1.00 0.00 C ATOM 561 C PRO A 40 -2.687 4.133 -15.164 1.00 0.00 C ATOM 562 O PRO A 40 -3.889 4.264 -15.394 1.00 0.00 O ATOM 563 CB PRO A 40 -1.119 5.861 -16.089 1.00 0.00 C ATOM 564 CG PRO A 40 0.221 5.211 -16.070 1.00 0.00 C ATOM 565 CD PRO A 40 0.594 5.073 -14.620 1.00 0.00 C ATOM 0 HA PRO A 40 -2.500 6.065 -14.379 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.674 5.597 -16.989 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.032 6.947 -16.075 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.189 4.237 -16.559 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.955 5.813 -16.606 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.190 4.178 -14.442 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.183 5.922 -14.274 1.00 0.00 H new ATOM 573 N GLU A 41 -2.069 2.956 -15.187 1.00 0.00 N ATOM 574 CA GLU A 41 -2.786 1.724 -15.493 1.00 0.00 C ATOM 575 C GLU A 41 -3.766 1.373 -14.377 1.00 0.00 C ATOM 576 O GLU A 41 -4.510 0.397 -14.474 1.00 0.00 O ATOM 577 CB GLU A 41 -1.800 0.572 -15.701 1.00 0.00 C ATOM 578 CG GLU A 41 -0.808 0.816 -16.826 1.00 0.00 C ATOM 579 CD GLU A 41 -1.421 0.611 -18.198 1.00 0.00 C ATOM 580 OE1 GLU A 41 -1.674 -0.554 -18.568 1.00 0.00 O ATOM 581 OE2 GLU A 41 -1.647 1.618 -18.902 1.00 0.00 O ATOM 0 H GLU A 41 -1.075 2.830 -14.998 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.350 1.881 -16.412 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.251 0.403 -14.774 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.359 -0.340 -15.912 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.423 1.833 -16.752 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.042 0.144 -16.708 1.00 0.00 H new ATOM 588 N SER A 42 -3.760 2.176 -13.318 1.00 0.00 N ATOM 589 CA SER A 42 -4.644 1.949 -12.181 1.00 0.00 C ATOM 590 C SER A 42 -5.215 3.267 -11.666 1.00 0.00 C ATOM 591 O SER A 42 -4.502 4.264 -11.560 1.00 0.00 O ATOM 592 CB SER A 42 -3.893 1.232 -11.059 1.00 0.00 C ATOM 593 OG SER A 42 -3.064 2.132 -10.343 1.00 0.00 O ATOM 0 H SER A 42 -3.152 2.990 -13.224 1.00 0.00 H new ATOM 0 HA SER A 42 -5.470 1.321 -12.514 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.607 0.769 -10.377 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.286 0.429 -11.478 1.00 0.00 H new ATOM 0 HG SER A 42 -2.909 2.935 -10.883 1.00 0.00 H new ATOM 599 N GLU A 43 -6.506 3.261 -11.347 1.00 0.00 N ATOM 600 CA GLU A 43 -7.173 4.456 -10.843 1.00 0.00 C ATOM 601 C GLU A 43 -7.398 4.359 -9.337 1.00 0.00 C ATOM 602 O GLU A 43 -8.370 3.759 -8.881 1.00 0.00 O ATOM 603 CB GLU A 43 -8.510 4.660 -11.558 1.00 0.00 C ATOM 604 CG GLU A 43 -8.367 5.001 -13.031 1.00 0.00 C ATOM 605 CD GLU A 43 -9.681 4.909 -13.782 1.00 0.00 C ATOM 606 OE1 GLU A 43 -10.436 5.904 -13.781 1.00 0.00 O ATOM 607 OE2 GLU A 43 -9.956 3.842 -14.370 1.00 0.00 O ATOM 0 H GLU A 43 -7.110 2.443 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.529 5.312 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.107 3.753 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.060 5.459 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.967 6.010 -13.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.644 4.325 -13.488 1.00 0.00 H new ATOM 614 N GLY A 44 -6.490 4.955 -8.569 1.00 0.00 N ATOM 615 CA GLY A 44 -6.607 4.924 -7.123 1.00 0.00 C ATOM 616 C GLY A 44 -5.940 3.707 -6.513 1.00 0.00 C ATOM 617 O GLY A 44 -6.441 3.136 -5.544 1.00 0.00 O ATOM 0 H GLY A 44 -5.676 5.458 -8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.160 5.827 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.661 4.933 -6.847 1.00 0.00 H new ATOM 621 N TRP A 45 -4.808 3.308 -7.082 1.00 0.00 N ATOM 622 CA TRP A 45 -4.072 2.149 -6.589 1.00 0.00 C ATOM 623 C TRP A 45 -2.581 2.452 -6.492 1.00 0.00 C ATOM 624 O TRP A 45 -2.079 3.359 -7.155 1.00 0.00 O ATOM 625 CB TRP A 45 -4.302 0.946 -7.506 1.00 0.00 C ATOM 626 CG TRP A 45 -5.729 0.491 -7.542 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.744 1.033 -8.277 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.300 -0.599 -6.809 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.912 0.346 -8.046 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.666 -0.660 -7.150 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.791 -1.530 -5.899 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.525 -1.615 -6.611 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.644 -2.476 -5.366 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.999 -2.514 -5.723 1.00 0.00 C ATOM 0 H TRP A 45 -4.380 3.769 -7.885 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.441 1.913 -5.591 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.984 1.203 -8.517 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.673 0.120 -7.174 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.644 1.878 -8.942 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.815 0.552 -8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.748 -1.510 -5.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.569 -1.645 -6.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -6.260 -3.199 -4.662 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.640 -3.267 -5.289 1.00 0.00 H new ATOM 645 N TRP A 46 -1.880 1.688 -5.662 1.00 0.00 N ATOM 646 CA TRP A 46 -0.445 1.876 -5.479 1.00 0.00 C ATOM 647 C TRP A 46 0.298 0.551 -5.609 1.00 0.00 C ATOM 648 O TRP A 46 -0.167 -0.483 -5.129 1.00 0.00 O ATOM 649 CB TRP A 46 -0.162 2.502 -4.113 1.00 0.00 C ATOM 650 CG TRP A 46 -0.363 3.987 -4.086 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.269 4.845 -5.144 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.690 4.787 -2.945 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.518 6.131 -4.730 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.780 6.122 -3.385 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.918 4.506 -1.596 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.086 7.171 -2.522 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.222 5.548 -0.740 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.304 6.867 -1.206 1.00 0.00 C ATOM 0 H TRP A 46 -2.281 0.933 -5.105 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.089 2.549 -6.259 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.812 2.041 -3.369 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.864 2.276 -3.824 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.034 4.555 -6.157 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.509 6.958 -5.327 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.858 3.492 -1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.149 8.188 -2.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.399 5.342 0.305 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.544 7.659 -0.513 1.00 0.00 H new ATOM 669 N LYS A 47 1.456 0.588 -6.260 1.00 0.00 N ATOM 670 CA LYS A 47 2.265 -0.609 -6.452 1.00 0.00 C ATOM 671 C LYS A 47 3.257 -0.785 -5.306 1.00 0.00 C ATOM 672 O LYS A 47 4.292 -0.121 -5.261 1.00 0.00 O ATOM 673 CB LYS A 47 3.017 -0.534 -7.783 1.00 0.00 C ATOM 674 CG LYS A 47 3.416 -1.892 -8.333 1.00 0.00 C ATOM 675 CD LYS A 47 4.100 -1.767 -9.685 1.00 0.00 C ATOM 676 CE LYS A 47 3.087 -1.609 -10.809 1.00 0.00 C ATOM 677 NZ LYS A 47 3.721 -1.741 -12.149 1.00 0.00 N ATOM 0 H LYS A 47 1.855 1.435 -6.664 1.00 0.00 H new ATOM 0 HA LYS A 47 1.596 -1.470 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.392 -0.024 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.913 0.073 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.085 -2.388 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.531 -2.521 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.772 -0.909 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.713 -2.650 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.305 -2.361 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.605 -0.634 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.998 -1.627 -12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.450 -1.008 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.159 -2.680 -12.235 1.00 0.00 H new ATOM 691 N CYS A 48 2.933 -1.685 -4.383 1.00 0.00 N ATOM 692 CA CYS A 48 3.796 -1.948 -3.237 1.00 0.00 C ATOM 693 C CYS A 48 4.418 -3.338 -3.333 1.00 0.00 C ATOM 694 O CYS A 48 4.072 -4.125 -4.215 1.00 0.00 O ATOM 695 CB CYS A 48 3.003 -1.820 -1.935 1.00 0.00 C ATOM 696 SG CYS A 48 1.987 -0.328 -1.833 1.00 0.00 S ATOM 0 H CYS A 48 2.080 -2.244 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 48 4.598 -1.210 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.359 -2.693 -1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.699 -1.831 -1.096 1.00 0.00 H new ATOM 0 HG CYS A 48 1.354 -0.311 -0.698 1.00 0.00 H new ATOM 702 N LEU A 49 5.339 -3.632 -2.422 1.00 0.00 N ATOM 703 CA LEU A 49 6.012 -4.926 -2.405 1.00 0.00 C ATOM 704 C LEU A 49 5.979 -5.538 -1.008 1.00 0.00 C ATOM 705 O LEU A 49 6.482 -4.952 -0.049 1.00 0.00 O ATOM 706 CB LEU A 49 7.460 -4.776 -2.874 1.00 0.00 C ATOM 707 CG LEU A 49 8.309 -6.048 -2.847 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.514 -6.522 -1.416 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.662 -7.140 -3.685 1.00 0.00 C ATOM 0 H LEU A 49 5.637 -2.992 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 49 5.483 -5.592 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.453 -4.389 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.947 -4.025 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 49 9.285 -5.820 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.120 -7.428 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.022 -5.745 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.546 -6.733 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.280 -8.037 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.673 -7.367 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.568 -6.800 -4.716 1.00 0.00 H new ATOM 721 N LEU A 50 5.385 -6.722 -0.901 1.00 0.00 N ATOM 722 CA LEU A 50 5.288 -7.416 0.378 1.00 0.00 C ATOM 723 C LEU A 50 5.503 -8.916 0.202 1.00 0.00 C ATOM 724 O LEU A 50 4.837 -9.558 -0.611 1.00 0.00 O ATOM 725 CB LEU A 50 3.923 -7.157 1.019 1.00 0.00 C ATOM 726 CG LEU A 50 3.775 -7.587 2.479 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.206 -6.465 3.412 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.340 -8.002 2.770 1.00 0.00 C ATOM 0 H LEU A 50 4.964 -7.221 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 50 6.069 -7.030 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.709 -6.090 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.164 -7.672 0.431 1.00 0.00 H new ATOM 0 HG LEU A 50 4.423 -8.446 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.094 -6.789 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.249 -6.214 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.584 -5.587 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.253 -8.305 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.672 -7.162 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.065 -8.837 2.126 1.00 0.00 H new ATOM 740 N HIS A 51 6.436 -9.469 0.970 1.00 0.00 N ATOM 741 CA HIS A 51 6.737 -10.894 0.901 1.00 0.00 C ATOM 742 C HIS A 51 6.761 -11.375 -0.547 1.00 0.00 C ATOM 743 O HIS A 51 6.182 -12.408 -0.878 1.00 0.00 O ATOM 744 CB HIS A 51 5.707 -11.694 1.699 1.00 0.00 C ATOM 745 CG HIS A 51 5.914 -11.628 3.180 1.00 0.00 C ATOM 746 ND1 HIS A 51 6.751 -12.487 3.862 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.389 -10.799 4.112 1.00 0.00 C ATOM 748 CE1 HIS A 51 6.730 -12.189 5.149 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.911 -11.168 5.327 1.00 0.00 N ATOM 0 H HIS A 51 6.997 -8.952 1.647 1.00 0.00 H new ATOM 0 HA HIS A 51 7.724 -11.053 1.335 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.709 -11.323 1.463 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.743 -12.736 1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.689 -9.996 3.933 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.288 -12.694 5.924 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.701 -10.726 6.222 1.00 0.00 H new ATOM 758 N GLY A 52 7.436 -10.617 -1.406 1.00 0.00 N ATOM 759 CA GLY A 52 7.522 -10.981 -2.808 1.00 0.00 C ATOM 760 C GLY A 52 6.168 -10.985 -3.490 1.00 0.00 C ATOM 761 O GLY A 52 5.818 -11.940 -4.184 1.00 0.00 O ATOM 0 H GLY A 52 7.925 -9.757 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.182 -10.282 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.973 -11.969 -2.897 1.00 0.00 H new ATOM 765 N ARG A 53 5.404 -9.916 -3.292 1.00 0.00 N ATOM 766 CA ARG A 53 4.080 -9.802 -3.891 1.00 0.00 C ATOM 767 C ARG A 53 4.124 -8.936 -5.147 1.00 0.00 C ATOM 768 O ARG A 53 3.799 -9.397 -6.241 1.00 0.00 O ATOM 769 CB ARG A 53 3.091 -9.210 -2.885 1.00 0.00 C ATOM 770 CG ARG A 53 2.518 -10.234 -1.920 1.00 0.00 C ATOM 771 CD ARG A 53 1.327 -10.962 -2.523 1.00 0.00 C ATOM 772 NE ARG A 53 1.739 -11.998 -3.467 1.00 0.00 N ATOM 773 CZ ARG A 53 2.328 -13.131 -3.103 1.00 0.00 C ATOM 774 NH1 ARG A 53 2.573 -13.374 -1.823 1.00 0.00 N ATOM 775 NH2 ARG A 53 2.673 -14.025 -4.021 1.00 0.00 N ATOM 0 H ARG A 53 5.679 -9.117 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 53 3.748 -10.802 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.590 -8.426 -2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.273 -8.737 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.290 -10.956 -1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.214 -9.737 -0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.736 -11.413 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.683 -10.244 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 53 1.565 -11.843 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.309 -12.690 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.026 -14.245 -1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.486 -13.842 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.125 -14.895 -3.741 1.00 0.00 H new ATOM 789 N GLN A 54 4.529 -7.681 -4.981 1.00 0.00 N ATOM 790 CA GLN A 54 4.614 -6.751 -6.101 1.00 0.00 C ATOM 791 C GLN A 54 3.245 -6.539 -6.738 1.00 0.00 C ATOM 792 O GLN A 54 3.088 -6.659 -7.952 1.00 0.00 O ATOM 793 CB GLN A 54 5.602 -7.270 -7.147 1.00 0.00 C ATOM 794 CG GLN A 54 7.042 -6.864 -6.879 1.00 0.00 C ATOM 795 CD GLN A 54 7.867 -6.769 -8.147 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.415 -7.153 -9.226 1.00 0.00 O ATOM 797 NE2 GLN A 54 9.085 -6.255 -8.024 1.00 0.00 N ATOM 0 H GLN A 54 4.803 -7.285 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 54 4.968 -5.793 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.541 -8.358 -7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.306 -6.901 -8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.055 -5.901 -6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.500 -7.588 -6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.420 -5.949 -7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.686 -6.166 -8.843 1.00 0.00 H new ATOM 806 N GLY A 55 2.254 -6.223 -5.909 1.00 0.00 N ATOM 807 CA GLY A 55 0.910 -6.000 -6.409 1.00 0.00 C ATOM 808 C GLY A 55 0.398 -4.609 -6.093 1.00 0.00 C ATOM 809 O GLY A 55 1.069 -3.831 -5.414 1.00 0.00 O ATOM 0 H GLY A 55 2.358 -6.118 -4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.897 -6.152 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.237 -6.739 -5.975 1.00 0.00 H new ATOM 813 N LEU A 56 -0.794 -4.293 -6.588 1.00 0.00 N ATOM 814 CA LEU A 56 -1.396 -2.985 -6.356 1.00 0.00 C ATOM 815 C LEU A 56 -2.095 -2.940 -5.001 1.00 0.00 C ATOM 816 O LEU A 56 -2.322 -3.974 -4.374 1.00 0.00 O ATOM 817 CB LEU A 56 -2.394 -2.657 -7.468 1.00 0.00 C ATOM 818 CG LEU A 56 -1.858 -2.741 -8.898 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.993 -2.613 -9.902 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.808 -1.665 -9.137 1.00 0.00 C ATOM 0 H LEU A 56 -1.362 -4.925 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.600 -2.240 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.242 -3.336 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.773 -1.649 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.389 -3.716 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.592 -2.675 -10.914 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.710 -3.419 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.491 -1.653 -9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.437 -1.739 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.253 -0.682 -8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.019 -1.802 -8.440 1.00 0.00 H new ATOM 832 N ALA A 57 -2.435 -1.734 -4.557 1.00 0.00 N ATOM 833 CA ALA A 57 -3.111 -1.554 -3.278 1.00 0.00 C ATOM 834 C ALA A 57 -3.913 -0.257 -3.259 1.00 0.00 C ATOM 835 O ALA A 57 -3.499 0.765 -3.807 1.00 0.00 O ATOM 836 CB ALA A 57 -2.101 -1.569 -2.140 1.00 0.00 C ATOM 0 H ALA A 57 -2.253 -0.868 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.806 -2.383 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.620 -1.434 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.575 -2.524 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.383 -0.760 -2.280 1.00 0.00 H new ATOM 842 N PRO A 58 -5.089 -0.297 -2.615 1.00 0.00 N ATOM 843 CA PRO A 58 -5.974 0.867 -2.510 1.00 0.00 C ATOM 844 C PRO A 58 -5.401 1.950 -1.601 1.00 0.00 C ATOM 845 O PRO A 58 -5.376 1.799 -0.380 1.00 0.00 O ATOM 846 CB PRO A 58 -7.255 0.285 -1.907 1.00 0.00 C ATOM 847 CG PRO A 58 -6.808 -0.926 -1.164 1.00 0.00 C ATOM 848 CD PRO A 58 -5.645 -1.481 -1.939 1.00 0.00 C ATOM 0 HA PRO A 58 -6.123 1.354 -3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.740 1.000 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.977 0.029 -2.683 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.513 -0.672 -0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.613 -1.658 -1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.912 -1.950 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.964 -2.239 -2.654 1.00 0.00 H new ATOM 856 N ALA A 59 -4.942 3.041 -2.205 1.00 0.00 N ATOM 857 CA ALA A 59 -4.373 4.150 -1.450 1.00 0.00 C ATOM 858 C ALA A 59 -5.342 4.641 -0.380 1.00 0.00 C ATOM 859 O ALA A 59 -4.931 5.223 0.623 1.00 0.00 O ATOM 860 CB ALA A 59 -3.997 5.289 -2.387 1.00 0.00 C ATOM 0 H ALA A 59 -4.953 3.180 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.473 3.792 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.573 6.111 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.262 4.937 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.886 5.636 -2.913 1.00 0.00 H new ATOM 866 N ASN A 60 -6.631 4.402 -0.601 1.00 0.00 N ATOM 867 CA ASN A 60 -7.659 4.821 0.345 1.00 0.00 C ATOM 868 C ASN A 60 -7.544 4.044 1.653 1.00 0.00 C ATOM 869 O ASN A 60 -8.006 4.499 2.700 1.00 0.00 O ATOM 870 CB ASN A 60 -9.050 4.620 -0.260 1.00 0.00 C ATOM 871 CG ASN A 60 -9.160 5.192 -1.660 1.00 0.00 C ATOM 872 OD1 ASN A 60 -8.900 6.375 -1.881 1.00 0.00 O ATOM 873 ND2 ASN A 60 -9.546 4.353 -2.613 1.00 0.00 N ATOM 0 H ASN A 60 -6.988 3.921 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.512 5.880 0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.281 3.555 -0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.794 5.092 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.638 4.681 -3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.751 3.380 -2.384 1.00 0.00 H new ATOM 880 N ARG A 61 -6.924 2.871 1.586 1.00 0.00 N ATOM 881 CA ARG A 61 -6.748 2.031 2.765 1.00 0.00 C ATOM 882 C ARG A 61 -5.296 2.049 3.234 1.00 0.00 C ATOM 883 O ARG A 61 -4.929 1.348 4.178 1.00 0.00 O ATOM 884 CB ARG A 61 -7.179 0.594 2.462 1.00 0.00 C ATOM 885 CG ARG A 61 -8.615 0.479 1.976 1.00 0.00 C ATOM 886 CD ARG A 61 -9.204 -0.886 2.297 1.00 0.00 C ATOM 887 NE ARG A 61 -10.651 -0.827 2.483 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.383 -1.860 2.885 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.805 -3.026 3.141 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.695 -1.729 3.032 1.00 0.00 N ATOM 0 H ARG A 61 -6.535 2.480 0.728 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.374 2.431 3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.514 0.176 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.059 -0.010 3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.221 1.257 2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.651 0.648 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.970 -1.581 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.738 -1.279 3.201 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.126 0.056 2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.797 -3.131 3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.369 -3.818 3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.143 -0.834 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.255 -2.523 3.341 1.00 0.00 H new ATOM 904 N LEU A 62 -4.475 2.854 2.569 1.00 0.00 N ATOM 905 CA LEU A 62 -3.063 2.964 2.917 1.00 0.00 C ATOM 906 C LEU A 62 -2.781 4.276 3.643 1.00 0.00 C ATOM 907 O LEU A 62 -3.522 5.248 3.496 1.00 0.00 O ATOM 908 CB LEU A 62 -2.198 2.868 1.660 1.00 0.00 C ATOM 909 CG LEU A 62 -1.896 1.455 1.159 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.278 0.617 2.268 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.161 0.794 0.631 1.00 0.00 C ATOM 0 H LEU A 62 -4.763 3.440 1.786 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.814 2.140 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.693 3.418 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.252 3.373 1.855 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.179 1.526 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.070 -0.385 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.349 1.081 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.972 0.554 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.927 -0.211 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.901 0.735 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.562 1.383 -0.194 1.00 0.00 H new ATOM 923 N GLN A 63 -1.706 4.296 4.423 1.00 0.00 N ATOM 924 CA GLN A 63 -1.326 5.490 5.169 1.00 0.00 C ATOM 925 C GLN A 63 0.103 5.907 4.838 1.00 0.00 C ATOM 926 O GLN A 63 1.062 5.257 5.254 1.00 0.00 O ATOM 927 CB GLN A 63 -1.462 5.242 6.673 1.00 0.00 C ATOM 928 CG GLN A 63 -0.883 6.357 7.528 1.00 0.00 C ATOM 929 CD GLN A 63 -1.338 6.281 8.972 1.00 0.00 C ATOM 930 OE1 GLN A 63 -0.531 6.071 9.879 1.00 0.00 O ATOM 931 NE2 GLN A 63 -2.636 6.451 9.194 1.00 0.00 N ATOM 0 H GLN A 63 -1.083 3.500 4.555 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.997 6.298 4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.517 5.118 6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.964 4.306 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.205 6.310 7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.175 7.320 7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.269 6.623 8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.000 6.410 10.146 1.00 0.00 H new ATOM 940 N ILE A 64 0.237 6.995 4.087 1.00 0.00 N ATOM 941 CA ILE A 64 1.549 7.499 3.700 1.00 0.00 C ATOM 942 C ILE A 64 2.256 8.155 4.882 1.00 0.00 C ATOM 943 O ILE A 64 1.767 9.135 5.445 1.00 0.00 O ATOM 944 CB ILE A 64 1.444 8.517 2.549 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.749 7.885 1.342 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.826 9.026 2.166 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.430 6.631 0.841 1.00 0.00 C ATOM 0 H ILE A 64 -0.547 7.544 3.734 1.00 0.00 H new ATOM 0 HA ILE A 64 2.130 6.641 3.363 1.00 0.00 H new ATOM 0 HB ILE A 64 0.846 9.364 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.281 7.648 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.708 8.615 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.736 9.745 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.287 9.509 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.446 8.189 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.883 6.237 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.452 6.866 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.447 5.884 1.635 1.00 0.00 H new ATOM 959 N LEU A 65 3.409 7.609 5.251 1.00 0.00 N ATOM 960 CA LEU A 65 4.185 8.142 6.365 1.00 0.00 C ATOM 961 C LEU A 65 5.266 9.098 5.869 1.00 0.00 C ATOM 962 O LEU A 65 6.428 8.717 5.727 1.00 0.00 O ATOM 963 CB LEU A 65 4.824 7.001 7.160 1.00 0.00 C ATOM 964 CG LEU A 65 3.870 5.916 7.661 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.605 4.596 7.830 1.00 0.00 C ATOM 966 CD2 LEU A 65 3.221 6.339 8.971 1.00 0.00 C ATOM 0 H LEU A 65 3.827 6.798 4.795 1.00 0.00 H new ATOM 0 HA LEU A 65 3.507 8.695 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.582 6.530 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.340 7.428 8.020 1.00 0.00 H new ATOM 0 HG LEU A 65 3.085 5.779 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.910 3.836 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.021 4.286 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.412 4.719 8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.545 5.555 9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.993 6.505 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.659 7.260 8.818 1.00 0.00 H new ATOM 978 N SER A 66 4.874 10.341 5.607 1.00 0.00 N ATOM 979 CA SER A 66 5.809 11.351 5.124 1.00 0.00 C ATOM 980 C SER A 66 6.854 11.676 6.187 1.00 0.00 C ATOM 981 O SER A 66 6.541 12.262 7.223 1.00 0.00 O ATOM 982 CB SER A 66 5.057 12.623 4.726 1.00 0.00 C ATOM 983 OG SER A 66 4.316 12.425 3.535 1.00 0.00 O ATOM 0 H SER A 66 3.916 10.673 5.721 1.00 0.00 H new ATOM 0 HA SER A 66 6.319 10.950 4.248 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.385 12.919 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.765 13.439 4.586 1.00 0.00 H new ATOM 0 HG SER A 66 3.843 13.251 3.303 1.00 0.00 H new ATOM 989 N GLY A 67 8.099 11.290 5.922 1.00 0.00 N ATOM 990 CA GLY A 67 9.172 11.548 6.864 1.00 0.00 C ATOM 991 C GLY A 67 10.038 10.327 7.105 1.00 0.00 C ATOM 992 O GLY A 67 9.757 9.234 6.614 1.00 0.00 O ATOM 0 H GLY A 67 8.383 10.803 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.793 12.362 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.748 11.881 7.811 1.00 0.00 H new ATOM 996 N PRO A 68 11.120 10.508 7.877 1.00 0.00 N ATOM 997 CA PRO A 68 12.052 9.423 8.199 1.00 0.00 C ATOM 998 C PRO A 68 11.437 8.388 9.133 1.00 0.00 C ATOM 999 O PRO A 68 12.055 7.368 9.439 1.00 0.00 O ATOM 1000 CB PRO A 68 13.211 10.146 8.890 1.00 0.00 C ATOM 1001 CG PRO A 68 12.604 11.384 9.453 1.00 0.00 C ATOM 1002 CD PRO A 68 11.516 11.784 8.496 1.00 0.00 C ATOM 0 HA PRO A 68 12.348 8.863 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.651 9.529 9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.008 10.381 8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.200 11.202 10.449 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.348 12.174 9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.680 12.257 9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.876 12.496 7.753 1.00 0.00 H new ATOM 1010 N SER A 69 10.215 8.656 9.584 1.00 0.00 N ATOM 1011 CA SER A 69 9.518 7.748 10.487 1.00 0.00 C ATOM 1012 C SER A 69 9.625 6.306 9.999 1.00 0.00 C ATOM 1013 O SER A 69 9.084 5.952 8.951 1.00 0.00 O ATOM 1014 CB SER A 69 8.046 8.148 10.610 1.00 0.00 C ATOM 1015 OG SER A 69 7.915 9.446 11.164 1.00 0.00 O ATOM 0 H SER A 69 9.688 9.494 9.339 1.00 0.00 H new ATOM 0 HA SER A 69 9.990 7.817 11.467 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.575 8.119 9.628 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.521 7.427 11.237 1.00 0.00 H new ATOM 0 HG SER A 69 6.965 9.679 11.231 1.00 0.00 H new ATOM 1021 N SER A 70 10.328 5.479 10.766 1.00 0.00 N ATOM 1022 CA SER A 70 10.511 4.077 10.410 1.00 0.00 C ATOM 1023 C SER A 70 10.166 3.169 11.587 1.00 0.00 C ATOM 1024 O SER A 70 11.034 2.804 12.379 1.00 0.00 O ATOM 1025 CB SER A 70 11.952 3.826 9.963 1.00 0.00 C ATOM 1026 OG SER A 70 12.210 2.439 9.827 1.00 0.00 O ATOM 0 H SER A 70 10.780 5.755 11.638 1.00 0.00 H new ATOM 0 HA SER A 70 9.837 3.846 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.134 4.328 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.641 4.258 10.688 1.00 0.00 H new ATOM 0 HG SER A 70 13.137 2.305 9.539 1.00 0.00 H new ATOM 1032 N GLY A 71 8.891 2.807 11.694 1.00 0.00 N ATOM 1033 CA GLY A 71 8.453 1.945 12.776 1.00 0.00 C ATOM 1034 C GLY A 71 8.789 0.488 12.529 1.00 0.00 C ATOM 1035 O GLY A 71 8.163 -0.406 13.098 1.00 0.00 O ATOM 0 H GLY A 71 8.154 3.095 11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.919 2.269 13.706 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.376 2.049 12.906 1.00 0.00 H new TER 1039 GLY A 71