USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 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 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.388! K(o=-0.39!,f=-1.2) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 30:sc= 0.371 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= -2.78 K(o=-2.8,f=-7!) USER MOD Single : A 38 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-0.87) USER MOD Single : A 42 SER OG : rot -119:sc= 1.49 USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= 0.466 (180deg=-0.848) USER MOD Single : A 48 CYS SG : rot 170:sc= -0.786 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 60 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 63 GLN : amide:sc= -2.57! C(o=-2.6!,f=-5.1!) 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 24.080 2.455 -12.608 1.00 0.00 N ATOM 2 CA GLY A 1 24.352 3.735 -13.236 1.00 0.00 C ATOM 3 C GLY A 1 23.305 4.779 -12.903 1.00 0.00 C ATOM 4 O GLY A 1 23.080 5.092 -11.734 1.00 0.00 O ATOM 0 H1 GLY A 1 24.824 1.776 -12.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.062 2.572 -11.575 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.158 2.098 -12.932 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.331 4.092 -12.916 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.398 3.603 -14.317 1.00 0.00 H new ATOM 8 N SER A 2 22.663 5.320 -13.933 1.00 0.00 N ATOM 9 CA SER A 2 21.637 6.340 -13.745 1.00 0.00 C ATOM 10 C SER A 2 20.526 5.829 -12.833 1.00 0.00 C ATOM 11 O SER A 2 19.929 4.784 -13.089 1.00 0.00 O ATOM 12 CB SER A 2 21.052 6.760 -15.095 1.00 0.00 C ATOM 13 OG SER A 2 20.321 7.968 -14.979 1.00 0.00 O ATOM 0 H SER A 2 22.835 5.069 -14.907 1.00 0.00 H new ATOM 0 HA SER A 2 22.101 7.206 -13.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.856 6.886 -15.820 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.401 5.972 -15.474 1.00 0.00 H new ATOM 0 HG SER A 2 19.959 8.216 -15.855 1.00 0.00 H new ATOM 19 N SER A 3 20.254 6.576 -11.767 1.00 0.00 N ATOM 20 CA SER A 3 19.217 6.199 -10.814 1.00 0.00 C ATOM 21 C SER A 3 18.209 7.329 -10.632 1.00 0.00 C ATOM 22 O SER A 3 18.537 8.503 -10.803 1.00 0.00 O ATOM 23 CB SER A 3 19.842 5.835 -9.466 1.00 0.00 C ATOM 24 OG SER A 3 20.360 6.984 -8.817 1.00 0.00 O ATOM 0 H SER A 3 20.738 7.446 -11.542 1.00 0.00 H new ATOM 0 HA SER A 3 18.693 5.329 -11.210 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.094 5.361 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.640 5.108 -9.616 1.00 0.00 H new ATOM 0 HG SER A 3 20.752 6.725 -7.957 1.00 0.00 H new ATOM 30 N GLY A 4 16.978 6.967 -10.282 1.00 0.00 N ATOM 31 CA GLY A 4 15.940 7.961 -10.082 1.00 0.00 C ATOM 32 C GLY A 4 14.769 7.424 -9.284 1.00 0.00 C ATOM 33 O GLY A 4 14.308 8.064 -8.339 1.00 0.00 O ATOM 0 H GLY A 4 16.681 6.002 -10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.362 8.824 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.585 8.311 -11.051 1.00 0.00 H new ATOM 37 N SER A 5 14.286 6.246 -9.665 1.00 0.00 N ATOM 38 CA SER A 5 13.157 5.625 -8.980 1.00 0.00 C ATOM 39 C SER A 5 13.226 5.881 -7.478 1.00 0.00 C ATOM 40 O SER A 5 14.305 6.073 -6.918 1.00 0.00 O ATOM 41 CB SER A 5 13.134 4.120 -9.253 1.00 0.00 C ATOM 42 OG SER A 5 11.917 3.541 -8.813 1.00 0.00 O ATOM 0 H SER A 5 14.658 5.702 -10.444 1.00 0.00 H new ATOM 0 HA SER A 5 12.240 6.071 -9.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.262 3.939 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.972 3.642 -8.746 1.00 0.00 H new ATOM 0 HG SER A 5 11.926 2.579 -9.000 1.00 0.00 H new ATOM 48 N SER A 6 12.065 5.882 -6.831 1.00 0.00 N ATOM 49 CA SER A 6 11.991 6.117 -5.393 1.00 0.00 C ATOM 50 C SER A 6 11.087 5.089 -4.720 1.00 0.00 C ATOM 51 O SER A 6 10.147 4.579 -5.329 1.00 0.00 O ATOM 52 CB SER A 6 11.474 7.530 -5.113 1.00 0.00 C ATOM 53 OG SER A 6 12.277 8.504 -5.756 1.00 0.00 O ATOM 0 H SER A 6 11.163 5.723 -7.279 1.00 0.00 H new ATOM 0 HA SER A 6 12.995 6.016 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.444 7.618 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.467 7.712 -4.038 1.00 0.00 H new ATOM 0 HG SER A 6 11.925 9.398 -5.563 1.00 0.00 H new ATOM 59 N GLY A 7 11.379 4.790 -3.458 1.00 0.00 N ATOM 60 CA GLY A 7 10.584 3.824 -2.722 1.00 0.00 C ATOM 61 C GLY A 7 10.057 4.383 -1.415 1.00 0.00 C ATOM 62 O GLY A 7 10.813 4.571 -0.461 1.00 0.00 O ATOM 0 H GLY A 7 12.151 5.199 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.746 3.501 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.189 2.940 -2.518 1.00 0.00 H new ATOM 66 N LEU A 8 8.757 4.652 -1.370 1.00 0.00 N ATOM 67 CA LEU A 8 8.129 5.195 -0.170 1.00 0.00 C ATOM 68 C LEU A 8 7.543 4.080 0.690 1.00 0.00 C ATOM 69 O LEU A 8 7.452 2.930 0.257 1.00 0.00 O ATOM 70 CB LEU A 8 7.032 6.190 -0.551 1.00 0.00 C ATOM 71 CG LEU A 8 7.508 7.540 -1.089 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.089 8.387 0.033 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.533 7.342 -2.196 1.00 0.00 C ATOM 0 H LEU A 8 8.117 4.503 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 8 8.895 5.711 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.394 5.726 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.411 6.370 0.327 1.00 0.00 H new ATOM 0 HG LEU A 8 6.649 8.066 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.422 9.344 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.326 8.558 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.936 7.867 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.860 8.313 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.391 6.795 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.083 6.775 -3.011 1.00 0.00 H new ATOM 85 N LEU A 9 7.144 4.427 1.908 1.00 0.00 N ATOM 86 CA LEU A 9 6.564 3.456 2.829 1.00 0.00 C ATOM 87 C LEU A 9 5.184 3.906 3.297 1.00 0.00 C ATOM 88 O LEU A 9 4.991 5.062 3.673 1.00 0.00 O ATOM 89 CB LEU A 9 7.483 3.255 4.035 1.00 0.00 C ATOM 90 CG LEU A 9 8.902 2.777 3.725 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.810 2.982 4.929 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.892 1.314 3.306 1.00 0.00 C ATOM 0 H LEU A 9 7.211 5.374 2.281 1.00 0.00 H new ATOM 0 HA LEU A 9 6.457 2.509 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.549 4.198 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.016 2.534 4.706 1.00 0.00 H new ATOM 0 HG LEU A 9 9.291 3.369 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.816 2.636 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.842 4.041 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.424 2.416 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.910 0.991 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.483 0.707 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.276 1.195 2.415 1.00 0.00 H new ATOM 104 N ALA A 10 4.227 2.984 3.273 1.00 0.00 N ATOM 105 CA ALA A 10 2.865 3.285 3.699 1.00 0.00 C ATOM 106 C ALA A 10 2.311 2.179 4.589 1.00 0.00 C ATOM 107 O ALA A 10 2.574 0.997 4.363 1.00 0.00 O ATOM 108 CB ALA A 10 1.967 3.490 2.488 1.00 0.00 C ATOM 0 H ALA A 10 4.369 2.023 2.963 1.00 0.00 H new ATOM 0 HA ALA A 10 2.888 4.206 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.953 3.714 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.345 4.320 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.959 2.583 1.884 1.00 0.00 H new ATOM 114 N ARG A 11 1.545 2.569 5.603 1.00 0.00 N ATOM 115 CA ARG A 11 0.956 1.609 6.529 1.00 0.00 C ATOM 116 C ARG A 11 -0.403 1.132 6.025 1.00 0.00 C ATOM 117 O ARG A 11 -1.008 1.757 5.155 1.00 0.00 O ATOM 118 CB ARG A 11 0.806 2.234 7.917 1.00 0.00 C ATOM 119 CG ARG A 11 0.347 1.250 8.981 1.00 0.00 C ATOM 120 CD ARG A 11 0.159 1.934 10.327 1.00 0.00 C ATOM 121 NE ARG A 11 1.426 2.118 11.029 1.00 0.00 N ATOM 122 CZ ARG A 11 2.030 1.157 11.719 1.00 0.00 C ATOM 123 NH1 ARG A 11 1.487 -0.050 11.797 1.00 0.00 N ATOM 124 NH2 ARG A 11 3.182 1.402 12.331 1.00 0.00 N ATOM 0 H ARG A 11 1.318 3.543 5.804 1.00 0.00 H new ATOM 0 HA ARG A 11 1.623 0.749 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.762 2.663 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.092 3.055 7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.591 0.789 8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.080 0.449 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.317 2.903 10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.515 1.340 10.945 1.00 0.00 H new ATOM 0 HE ARG A 11 1.872 3.035 10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.603 -0.243 11.326 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.953 -0.786 12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.604 2.329 12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.645 0.664 12.861 1.00 0.00 H new ATOM 138 N ALA A 12 -0.876 0.019 6.578 1.00 0.00 N ATOM 139 CA ALA A 12 -2.163 -0.541 6.186 1.00 0.00 C ATOM 140 C ALA A 12 -3.184 -0.411 7.311 1.00 0.00 C ATOM 141 O ALA A 12 -3.188 -1.203 8.255 1.00 0.00 O ATOM 142 CB ALA A 12 -2.002 -2.000 5.783 1.00 0.00 C ATOM 0 H ALA A 12 -0.387 -0.512 7.299 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.532 0.023 5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.971 -2.406 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.312 -2.071 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.608 -2.569 6.625 1.00 0.00 H new ATOM 148 N LEU A 13 -4.047 0.594 7.206 1.00 0.00 N ATOM 149 CA LEU A 13 -5.073 0.829 8.216 1.00 0.00 C ATOM 150 C LEU A 13 -6.155 -0.245 8.154 1.00 0.00 C ATOM 151 O LEU A 13 -7.004 -0.338 9.041 1.00 0.00 O ATOM 152 CB LEU A 13 -5.700 2.211 8.023 1.00 0.00 C ATOM 153 CG LEU A 13 -4.721 3.367 7.812 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.462 4.618 7.365 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.932 3.638 9.084 1.00 0.00 C ATOM 0 H LEU A 13 -4.057 1.259 6.432 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.599 0.785 9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.370 2.167 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.313 2.435 8.896 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.019 3.085 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.750 5.430 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.981 4.418 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.187 4.903 8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.241 4.464 8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.619 3.899 9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.370 2.746 9.361 1.00 0.00 H new ATOM 167 N TYR A 14 -6.117 -1.055 7.101 1.00 0.00 N ATOM 168 CA TYR A 14 -7.094 -2.123 6.923 1.00 0.00 C ATOM 169 C TYR A 14 -6.580 -3.172 5.942 1.00 0.00 C ATOM 170 O TYR A 14 -5.881 -2.851 4.981 1.00 0.00 O ATOM 171 CB TYR A 14 -8.422 -1.549 6.425 1.00 0.00 C ATOM 172 CG TYR A 14 -8.820 -0.261 7.109 1.00 0.00 C ATOM 173 CD1 TYR A 14 -9.536 -0.277 8.300 1.00 0.00 C ATOM 174 CD2 TYR A 14 -8.481 0.971 6.565 1.00 0.00 C ATOM 175 CE1 TYR A 14 -9.903 0.898 8.928 1.00 0.00 C ATOM 176 CE2 TYR A 14 -8.842 2.150 7.187 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.553 2.109 8.368 1.00 0.00 C ATOM 178 OH TYR A 14 -9.916 3.281 8.990 1.00 0.00 O ATOM 0 H TYR A 14 -5.421 -0.992 6.358 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.253 -2.602 7.889 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.353 -1.374 5.351 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.208 -2.289 6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.810 -1.223 8.742 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.925 1.008 5.640 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.461 0.868 9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.569 3.099 6.751 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.591 4.043 8.467 1.00 0.00 H new ATOM 188 N ASP A 15 -6.933 -4.428 6.192 1.00 0.00 N ATOM 189 CA ASP A 15 -6.510 -5.527 5.332 1.00 0.00 C ATOM 190 C ASP A 15 -7.205 -5.453 3.976 1.00 0.00 C ATOM 191 O ASP A 15 -8.349 -5.011 3.877 1.00 0.00 O ATOM 192 CB ASP A 15 -6.810 -6.870 5.999 1.00 0.00 C ATOM 193 CG ASP A 15 -8.293 -7.088 6.223 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.983 -7.502 5.268 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.764 -6.845 7.354 1.00 0.00 O ATOM 0 H ASP A 15 -7.511 -4.710 6.983 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.435 -5.440 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.417 -7.676 5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.290 -6.921 6.956 1.00 0.00 H new ATOM 200 N ASN A 16 -6.505 -5.888 2.933 1.00 0.00 N ATOM 201 CA ASN A 16 -7.054 -5.870 1.582 1.00 0.00 C ATOM 202 C ASN A 16 -7.226 -7.287 1.045 1.00 0.00 C ATOM 203 O ASN A 16 -6.292 -8.089 1.070 1.00 0.00 O ATOM 204 CB ASN A 16 -6.144 -5.067 0.650 1.00 0.00 C ATOM 205 CG ASN A 16 -6.592 -5.137 -0.797 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.773 -4.972 -1.101 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.647 -5.383 -1.697 1.00 0.00 N ATOM 0 H ASN A 16 -5.556 -6.257 2.998 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.034 -5.394 1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.127 -4.026 0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.124 -5.443 0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.888 -5.442 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.680 -5.513 -1.399 1.00 0.00 H new ATOM 214 N CYS A 17 -8.426 -7.589 0.561 1.00 0.00 N ATOM 215 CA CYS A 17 -8.721 -8.910 0.018 1.00 0.00 C ATOM 216 C CYS A 17 -8.883 -8.851 -1.498 1.00 0.00 C ATOM 217 O CYS A 17 -9.993 -8.778 -2.026 1.00 0.00 O ATOM 218 CB CYS A 17 -9.990 -9.475 0.657 1.00 0.00 C ATOM 219 SG CYS A 17 -9.746 -10.139 2.321 1.00 0.00 S ATOM 0 H CYS A 17 -9.210 -6.937 0.534 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.883 -9.567 0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.744 -8.689 0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.386 -10.264 0.017 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.876 -10.591 2.778 1.00 0.00 H new ATOM 225 N PRO A 18 -7.750 -8.882 -2.216 1.00 0.00 N ATOM 226 CA PRO A 18 -7.740 -8.833 -3.681 1.00 0.00 C ATOM 227 C PRO A 18 -8.289 -10.110 -4.308 1.00 0.00 C ATOM 228 O PRO A 18 -8.398 -11.141 -3.645 1.00 0.00 O ATOM 229 CB PRO A 18 -6.257 -8.664 -4.020 1.00 0.00 C ATOM 230 CG PRO A 18 -5.534 -9.248 -2.856 1.00 0.00 C ATOM 231 CD PRO A 18 -6.393 -8.969 -1.653 1.00 0.00 C ATOM 0 HA PRO A 18 -8.373 -8.034 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.001 -9.181 -4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.000 -7.614 -4.160 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.383 -10.319 -2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.547 -8.799 -2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.316 -9.764 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.103 -8.042 -1.158 1.00 0.00 H new ATOM 239 N ASP A 19 -8.632 -10.034 -5.589 1.00 0.00 N ATOM 240 CA ASP A 19 -9.168 -11.185 -6.307 1.00 0.00 C ATOM 241 C ASP A 19 -8.419 -11.405 -7.617 1.00 0.00 C ATOM 242 O ASP A 19 -8.986 -11.899 -8.592 1.00 0.00 O ATOM 243 CB ASP A 19 -10.660 -10.991 -6.584 1.00 0.00 C ATOM 244 CG ASP A 19 -11.338 -10.140 -5.528 1.00 0.00 C ATOM 245 OD1 ASP A 19 -11.478 -10.615 -4.382 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.730 -8.998 -5.849 1.00 0.00 O ATOM 0 H ASP A 19 -8.549 -9.187 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.035 -12.067 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.788 -10.524 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.148 -11.965 -6.630 1.00 0.00 H new ATOM 251 N CYS A 20 -7.143 -11.035 -7.633 1.00 0.00 N ATOM 252 CA CYS A 20 -6.317 -11.190 -8.825 1.00 0.00 C ATOM 253 C CYS A 20 -4.843 -11.311 -8.452 1.00 0.00 C ATOM 254 O CYS A 20 -4.491 -11.340 -7.273 1.00 0.00 O ATOM 255 CB CYS A 20 -6.521 -10.006 -9.771 1.00 0.00 C ATOM 256 SG CYS A 20 -7.880 -10.224 -10.944 1.00 0.00 S ATOM 0 H CYS A 20 -6.658 -10.626 -6.834 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.622 -12.106 -9.332 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.706 -9.110 -9.179 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.599 -9.836 -10.327 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.798 -10.974 -10.410 1.00 0.00 H new ATOM 262 N SER A 21 -3.985 -11.381 -9.466 1.00 0.00 N ATOM 263 CA SER A 21 -2.549 -11.504 -9.245 1.00 0.00 C ATOM 264 C SER A 21 -1.885 -10.131 -9.214 1.00 0.00 C ATOM 265 O SER A 21 -0.930 -9.908 -8.469 1.00 0.00 O ATOM 266 CB SER A 21 -1.915 -12.366 -10.339 1.00 0.00 C ATOM 267 OG SER A 21 -2.247 -13.733 -10.168 1.00 0.00 O ATOM 0 H SER A 21 -4.260 -11.355 -10.448 1.00 0.00 H new ATOM 0 HA SER A 21 -2.395 -11.985 -8.279 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.255 -12.026 -11.317 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.832 -12.246 -10.319 1.00 0.00 H new ATOM 0 HG SER A 21 -1.831 -14.262 -10.880 1.00 0.00 H new ATOM 273 N ASP A 22 -2.397 -9.215 -10.027 1.00 0.00 N ATOM 274 CA ASP A 22 -1.856 -7.862 -10.094 1.00 0.00 C ATOM 275 C ASP A 22 -1.999 -7.153 -8.751 1.00 0.00 C ATOM 276 O ASP A 22 -1.051 -6.545 -8.255 1.00 0.00 O ATOM 277 CB ASP A 22 -2.563 -7.060 -11.187 1.00 0.00 C ATOM 278 CG ASP A 22 -2.054 -7.398 -12.574 1.00 0.00 C ATOM 279 OD1 ASP A 22 -2.231 -8.556 -13.005 1.00 0.00 O ATOM 280 OD2 ASP A 22 -1.478 -6.504 -13.229 1.00 0.00 O ATOM 0 H ASP A 22 -3.187 -9.384 -10.650 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.796 -7.933 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.635 -7.253 -11.139 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.422 -5.995 -11.001 1.00 0.00 H new ATOM 285 N GLU A 23 -3.192 -7.235 -8.169 1.00 0.00 N ATOM 286 CA GLU A 23 -3.459 -6.598 -6.884 1.00 0.00 C ATOM 287 C GLU A 23 -2.610 -7.223 -5.780 1.00 0.00 C ATOM 288 O GLU A 23 -2.039 -8.300 -5.955 1.00 0.00 O ATOM 289 CB GLU A 23 -4.943 -6.717 -6.530 1.00 0.00 C ATOM 290 CG GLU A 23 -5.836 -5.788 -7.335 1.00 0.00 C ATOM 291 CD GLU A 23 -5.609 -5.909 -8.829 1.00 0.00 C ATOM 292 OE1 GLU A 23 -5.432 -7.047 -9.312 1.00 0.00 O ATOM 293 OE2 GLU A 23 -5.610 -4.866 -9.515 1.00 0.00 O ATOM 0 H GLU A 23 -3.987 -7.735 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.196 -5.544 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.265 -7.746 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.073 -6.504 -5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.880 -6.009 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.655 -4.758 -7.026 1.00 0.00 H new ATOM 300 N LEU A 24 -2.532 -6.540 -4.644 1.00 0.00 N ATOM 301 CA LEU A 24 -1.753 -7.026 -3.511 1.00 0.00 C ATOM 302 C LEU A 24 -2.664 -7.422 -2.353 1.00 0.00 C ATOM 303 O LEU A 24 -3.723 -6.829 -2.153 1.00 0.00 O ATOM 304 CB LEU A 24 -0.762 -5.955 -3.051 1.00 0.00 C ATOM 305 CG LEU A 24 0.538 -6.467 -2.428 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.638 -5.425 -2.557 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.320 -6.836 -0.968 1.00 0.00 C ATOM 0 H LEU A 24 -2.999 -5.648 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.201 -7.909 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.510 -5.330 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.262 -5.314 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 24 0.849 -7.362 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.555 -5.807 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.812 -5.209 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.336 -4.512 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.255 -7.198 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.015 -5.957 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.437 -7.617 -0.899 1.00 0.00 H new ATOM 319 N ALA A 25 -2.243 -8.428 -1.593 1.00 0.00 N ATOM 320 CA ALA A 25 -3.019 -8.901 -0.453 1.00 0.00 C ATOM 321 C ALA A 25 -2.260 -8.690 0.852 1.00 0.00 C ATOM 322 O ALA A 25 -1.348 -9.449 1.181 1.00 0.00 O ATOM 323 CB ALA A 25 -3.373 -10.370 -0.629 1.00 0.00 C ATOM 0 H ALA A 25 -1.369 -8.931 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.940 -8.320 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.952 -10.710 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.962 -10.496 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.458 -10.958 -0.705 1.00 0.00 H new ATOM 329 N PHE A 26 -2.642 -7.655 1.593 1.00 0.00 N ATOM 330 CA PHE A 26 -1.996 -7.344 2.863 1.00 0.00 C ATOM 331 C PHE A 26 -3.018 -7.289 3.994 1.00 0.00 C ATOM 332 O PHE A 26 -4.220 -7.169 3.754 1.00 0.00 O ATOM 333 CB PHE A 26 -1.252 -6.010 2.767 1.00 0.00 C ATOM 334 CG PHE A 26 -2.115 -4.874 2.296 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.830 -4.108 3.202 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.213 -4.574 0.947 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.625 -3.062 2.772 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.006 -3.530 0.511 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.714 -2.773 1.425 1.00 0.00 C ATOM 0 H PHE A 26 -3.396 -7.017 1.336 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.281 -8.137 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.840 -5.762 3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.409 -6.122 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.766 -4.331 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.663 -5.163 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.176 -2.472 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.073 -3.306 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.335 -1.957 1.086 1.00 0.00 H new ATOM 349 N SER A 27 -2.532 -7.378 5.228 1.00 0.00 N ATOM 350 CA SER A 27 -3.403 -7.343 6.397 1.00 0.00 C ATOM 351 C SER A 27 -3.025 -6.190 7.322 1.00 0.00 C ATOM 352 O SER A 27 -1.855 -5.822 7.426 1.00 0.00 O ATOM 353 CB SER A 27 -3.324 -8.668 7.157 1.00 0.00 C ATOM 354 OG SER A 27 -2.029 -8.872 7.696 1.00 0.00 O ATOM 0 H SER A 27 -1.540 -7.475 5.444 1.00 0.00 H new ATOM 0 HA SER A 27 -4.426 -7.189 6.053 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.061 -8.674 7.960 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.576 -9.490 6.487 1.00 0.00 H new ATOM 0 HG SER A 27 -2.006 -9.725 8.178 1.00 0.00 H new ATOM 360 N ARG A 28 -4.024 -5.625 7.992 1.00 0.00 N ATOM 361 CA ARG A 28 -3.798 -4.513 8.907 1.00 0.00 C ATOM 362 C ARG A 28 -2.563 -4.761 9.769 1.00 0.00 C ATOM 363 O ARG A 28 -2.406 -5.832 10.353 1.00 0.00 O ATOM 364 CB ARG A 28 -5.022 -4.302 9.800 1.00 0.00 C ATOM 365 CG ARG A 28 -4.699 -3.644 11.131 1.00 0.00 C ATOM 366 CD ARG A 28 -4.225 -2.211 10.943 1.00 0.00 C ATOM 367 NE ARG A 28 -3.928 -1.561 12.217 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.861 -1.175 13.080 1.00 0.00 C ATOM 369 NH1 ARG A 28 -6.143 -1.372 12.807 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.511 -0.590 14.218 1.00 0.00 N ATOM 0 H ARG A 28 -4.998 -5.919 7.918 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.631 -3.615 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.748 -3.688 9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.496 -5.266 9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.583 -3.655 11.768 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.929 -4.219 11.645 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.334 -2.203 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.991 -1.642 10.416 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.951 -1.394 12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.415 -1.821 11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.857 -1.075 13.471 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.525 -0.437 14.430 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.228 -0.294 14.881 1.00 0.00 H new ATOM 384 N GLY A 29 -1.689 -3.762 9.842 1.00 0.00 N ATOM 385 CA GLY A 29 -0.479 -3.892 10.634 1.00 0.00 C ATOM 386 C GLY A 29 0.723 -4.280 9.796 1.00 0.00 C ATOM 387 O GLY A 29 1.642 -4.937 10.285 1.00 0.00 O ATOM 0 H GLY A 29 -1.797 -2.866 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.276 -2.948 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.635 -4.642 11.410 1.00 0.00 H new ATOM 391 N ASP A 30 0.717 -3.874 8.531 1.00 0.00 N ATOM 392 CA ASP A 30 1.815 -4.184 7.624 1.00 0.00 C ATOM 393 C ASP A 30 2.189 -2.965 6.787 1.00 0.00 C ATOM 394 O ASP A 30 1.364 -2.434 6.043 1.00 0.00 O ATOM 395 CB ASP A 30 1.435 -5.349 6.708 1.00 0.00 C ATOM 396 CG ASP A 30 1.565 -6.693 7.397 1.00 0.00 C ATOM 397 OD1 ASP A 30 0.821 -6.936 8.370 1.00 0.00 O ATOM 398 OD2 ASP A 30 2.412 -7.503 6.964 1.00 0.00 O ATOM 0 H ASP A 30 -0.036 -3.329 8.111 1.00 0.00 H new ATOM 0 HA ASP A 30 2.679 -4.470 8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.409 -5.218 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.072 -5.334 5.823 1.00 0.00 H new ATOM 403 N ILE A 31 3.436 -2.526 6.915 1.00 0.00 N ATOM 404 CA ILE A 31 3.919 -1.369 6.171 1.00 0.00 C ATOM 405 C ILE A 31 4.318 -1.757 4.751 1.00 0.00 C ATOM 406 O ILE A 31 5.331 -2.424 4.539 1.00 0.00 O ATOM 407 CB ILE A 31 5.124 -0.713 6.870 1.00 0.00 C ATOM 408 CG1 ILE A 31 4.704 -0.135 8.223 1.00 0.00 C ATOM 409 CG2 ILE A 31 5.722 0.372 5.987 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.224 -1.181 9.204 1.00 0.00 C ATOM 0 H ILE A 31 4.131 -2.954 7.527 1.00 0.00 H new ATOM 0 HA ILE A 31 3.098 -0.653 6.133 1.00 0.00 H new ATOM 0 HB ILE A 31 5.885 -1.475 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.548 0.400 8.658 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.911 0.596 8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.573 0.826 6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.053 -0.066 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.969 1.134 5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.943 -0.700 10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.360 -1.700 8.789 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.023 -1.899 9.390 1.00 0.00 H new ATOM 422 N LEU A 32 3.516 -1.333 3.781 1.00 0.00 N ATOM 423 CA LEU A 32 3.786 -1.633 2.379 1.00 0.00 C ATOM 424 C LEU A 32 4.798 -0.652 1.797 1.00 0.00 C ATOM 425 O LEU A 32 4.742 0.548 2.067 1.00 0.00 O ATOM 426 CB LEU A 32 2.489 -1.588 1.568 1.00 0.00 C ATOM 427 CG LEU A 32 1.601 -2.829 1.652 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.380 -4.071 1.247 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.035 -2.987 3.056 1.00 0.00 C ATOM 0 H LEU A 32 2.673 -0.780 3.939 1.00 0.00 H new ATOM 0 HA LEU A 32 4.208 -2.637 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.908 -0.727 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.744 -1.419 0.522 1.00 0.00 H new ATOM 0 HG LEU A 32 0.769 -2.704 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.732 -4.945 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.736 -3.960 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.232 -4.200 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.405 -3.876 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.853 -3.089 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.440 -2.109 3.310 1.00 0.00 H new ATOM 441 N THR A 33 5.722 -1.170 0.993 1.00 0.00 N ATOM 442 CA THR A 33 6.746 -0.340 0.372 1.00 0.00 C ATOM 443 C THR A 33 6.299 0.149 -1.001 1.00 0.00 C ATOM 444 O THR A 33 6.405 -0.574 -1.992 1.00 0.00 O ATOM 445 CB THR A 33 8.075 -1.104 0.225 1.00 0.00 C ATOM 446 OG1 THR A 33 8.531 -1.545 1.508 1.00 0.00 O ATOM 447 CG2 THR A 33 9.136 -0.225 -0.421 1.00 0.00 C ATOM 0 H THR A 33 5.782 -2.161 0.757 1.00 0.00 H new ATOM 0 HA THR A 33 6.899 0.517 1.028 1.00 0.00 H new ATOM 0 HB THR A 33 7.902 -1.969 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.376 -2.031 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.066 -0.786 -0.514 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.799 0.085 -1.410 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.305 0.656 0.198 1.00 0.00 H new ATOM 455 N ILE A 34 5.799 1.379 -1.053 1.00 0.00 N ATOM 456 CA ILE A 34 5.338 1.964 -2.306 1.00 0.00 C ATOM 457 C ILE A 34 6.493 2.150 -3.284 1.00 0.00 C ATOM 458 O ILE A 34 7.416 2.926 -3.031 1.00 0.00 O ATOM 459 CB ILE A 34 4.652 3.323 -2.074 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.455 3.161 -1.136 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.216 3.929 -3.399 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.851 4.475 -0.694 1.00 0.00 C ATOM 0 H ILE A 34 5.703 1.990 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 34 4.614 1.269 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 34 5.367 3.999 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.689 2.569 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.767 2.600 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.733 4.889 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.088 4.076 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.514 3.257 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.007 4.283 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.602 5.061 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.507 5.030 -1.567 1.00 0.00 H new ATOM 474 N LEU A 35 6.436 1.435 -4.402 1.00 0.00 N ATOM 475 CA LEU A 35 7.477 1.523 -5.421 1.00 0.00 C ATOM 476 C LEU A 35 7.194 2.665 -6.391 1.00 0.00 C ATOM 477 O LEU A 35 8.079 3.463 -6.700 1.00 0.00 O ATOM 478 CB LEU A 35 7.581 0.203 -6.186 1.00 0.00 C ATOM 479 CG LEU A 35 7.759 -1.055 -5.334 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.215 -2.274 -6.062 1.00 0.00 C ATOM 481 CD2 LEU A 35 9.224 -1.254 -4.977 1.00 0.00 C ATOM 0 H LEU A 35 5.680 0.788 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 35 8.425 1.722 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.681 0.084 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.422 0.272 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 35 7.195 -0.928 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.350 -3.159 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.154 -2.132 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.751 -2.405 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.332 -2.153 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.810 -1.359 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.582 -0.392 -4.414 1.00 0.00 H new ATOM 493 N GLU A 36 5.955 2.739 -6.866 1.00 0.00 N ATOM 494 CA GLU A 36 5.556 3.785 -7.800 1.00 0.00 C ATOM 495 C GLU A 36 4.178 4.336 -7.445 1.00 0.00 C ATOM 496 O GLU A 36 3.207 3.587 -7.344 1.00 0.00 O ATOM 497 CB GLU A 36 5.548 3.246 -9.232 1.00 0.00 C ATOM 498 CG GLU A 36 4.440 2.240 -9.497 1.00 0.00 C ATOM 499 CD GLU A 36 4.815 1.226 -10.561 1.00 0.00 C ATOM 500 OE1 GLU A 36 4.939 1.621 -11.739 1.00 0.00 O ATOM 501 OE2 GLU A 36 4.984 0.039 -10.215 1.00 0.00 O ATOM 0 H GLU A 36 5.210 2.087 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 36 6.282 4.595 -7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.443 4.081 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.510 2.778 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.200 1.718 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.539 2.770 -9.807 1.00 0.00 H new ATOM 508 N GLN A 37 4.103 5.649 -7.255 1.00 0.00 N ATOM 509 CA GLN A 37 2.845 6.300 -6.910 1.00 0.00 C ATOM 510 C GLN A 37 1.956 6.454 -8.139 1.00 0.00 C ATOM 511 O GLN A 37 0.745 6.242 -8.073 1.00 0.00 O ATOM 512 CB GLN A 37 3.110 7.670 -6.283 1.00 0.00 C ATOM 513 CG GLN A 37 3.342 7.617 -4.781 1.00 0.00 C ATOM 514 CD GLN A 37 4.748 7.178 -4.422 1.00 0.00 C ATOM 515 OE1 GLN A 37 5.533 6.799 -5.292 1.00 0.00 O ATOM 516 NE2 GLN A 37 5.074 7.228 -3.136 1.00 0.00 N ATOM 0 H GLN A 37 4.898 6.283 -7.334 1.00 0.00 H new ATOM 0 HA GLN A 37 2.327 5.671 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.982 8.117 -6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.263 8.324 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.153 8.601 -4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.625 6.930 -4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.392 7.549 -2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.007 6.946 -2.835 1.00 0.00 H new ATOM 525 N HIS A 38 2.565 6.826 -9.261 1.00 0.00 N ATOM 526 CA HIS A 38 1.829 7.008 -10.507 1.00 0.00 C ATOM 527 C HIS A 38 1.473 5.662 -11.130 1.00 0.00 C ATOM 528 O HIS A 38 2.349 4.926 -11.585 1.00 0.00 O ATOM 529 CB HIS A 38 2.651 7.838 -11.493 1.00 0.00 C ATOM 530 CG HIS A 38 3.718 7.054 -12.192 1.00 0.00 C ATOM 531 ND1 HIS A 38 3.770 6.910 -13.563 1.00 0.00 N ATOM 532 CD2 HIS A 38 4.779 6.370 -11.703 1.00 0.00 C ATOM 533 CE1 HIS A 38 4.816 6.170 -13.886 1.00 0.00 C ATOM 534 NE2 HIS A 38 5.445 5.830 -12.775 1.00 0.00 N ATOM 0 H HIS A 38 3.566 7.007 -9.333 1.00 0.00 H new ATOM 0 HA HIS A 38 0.904 7.539 -10.279 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.982 8.270 -12.238 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.113 8.669 -10.959 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.051 6.268 -10.663 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.107 5.891 -14.888 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.289 5.259 -12.722 1.00 0.00 H new ATOM 543 N VAL A 39 0.182 5.345 -11.146 1.00 0.00 N ATOM 544 CA VAL A 39 -0.290 4.088 -11.714 1.00 0.00 C ATOM 545 C VAL A 39 -1.428 4.323 -12.701 1.00 0.00 C ATOM 546 O VAL A 39 -2.600 4.386 -12.331 1.00 0.00 O ATOM 547 CB VAL A 39 -0.770 3.121 -10.615 1.00 0.00 C ATOM 548 CG1 VAL A 39 -1.100 1.760 -11.207 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.280 2.995 -9.521 1.00 0.00 C ATOM 0 H VAL A 39 -0.556 5.942 -10.772 1.00 0.00 H new ATOM 0 HA VAL A 39 0.555 3.641 -12.238 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.679 3.527 -10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.437 1.091 -10.415 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.889 1.869 -11.951 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.211 1.343 -11.680 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.075 2.308 -8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.207 2.613 -9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.462 3.974 -9.077 1.00 0.00 H new ATOM 559 N PRO A 40 -1.076 4.455 -13.988 1.00 0.00 N ATOM 560 CA PRO A 40 -2.054 4.684 -15.056 1.00 0.00 C ATOM 561 C PRO A 40 -2.924 3.460 -15.318 1.00 0.00 C ATOM 562 O PRO A 40 -4.107 3.584 -15.633 1.00 0.00 O ATOM 563 CB PRO A 40 -1.181 4.990 -16.276 1.00 0.00 C ATOM 564 CG PRO A 40 0.118 4.318 -15.991 1.00 0.00 C ATOM 565 CD PRO A 40 0.303 4.390 -14.501 1.00 0.00 C ATOM 0 HA PRO A 40 -2.754 5.481 -14.804 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.632 4.607 -17.192 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.050 6.064 -16.410 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.105 3.283 -16.333 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.937 4.815 -16.510 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.833 3.517 -14.119 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.882 5.267 -14.210 1.00 0.00 H new ATOM 573 N GLU A 41 -2.330 2.278 -15.184 1.00 0.00 N ATOM 574 CA GLU A 41 -3.053 1.031 -15.407 1.00 0.00 C ATOM 575 C GLU A 41 -4.212 0.891 -14.424 1.00 0.00 C ATOM 576 O GLU A 41 -5.243 0.299 -14.744 1.00 0.00 O ATOM 577 CB GLU A 41 -2.108 -0.164 -15.270 1.00 0.00 C ATOM 578 CG GLU A 41 -1.940 -0.648 -13.840 1.00 0.00 C ATOM 579 CD GLU A 41 -0.724 -1.535 -13.663 1.00 0.00 C ATOM 580 OE1 GLU A 41 -0.837 -2.754 -13.909 1.00 0.00 O ATOM 581 OE2 GLU A 41 0.342 -1.010 -13.278 1.00 0.00 O ATOM 0 H GLU A 41 -1.351 2.158 -14.922 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.457 1.052 -16.419 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.484 -0.985 -15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.131 0.109 -15.669 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.857 0.213 -13.177 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.832 -1.197 -13.539 1.00 0.00 H new ATOM 588 N SER A 42 -4.035 1.440 -13.227 1.00 0.00 N ATOM 589 CA SER A 42 -5.063 1.373 -12.195 1.00 0.00 C ATOM 590 C SER A 42 -5.128 2.678 -11.408 1.00 0.00 C ATOM 591 O SER A 42 -4.262 2.960 -10.581 1.00 0.00 O ATOM 592 CB SER A 42 -4.788 0.205 -11.246 1.00 0.00 C ATOM 593 OG SER A 42 -5.988 -0.270 -10.661 1.00 0.00 O ATOM 0 H SER A 42 -3.189 1.936 -12.948 1.00 0.00 H new ATOM 0 HA SER A 42 -6.024 1.215 -12.684 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.301 -0.603 -11.791 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.099 0.523 -10.463 1.00 0.00 H new ATOM 0 HG SER A 42 -5.942 -0.164 -9.688 1.00 0.00 H new ATOM 599 N GLU A 43 -6.163 3.470 -11.672 1.00 0.00 N ATOM 600 CA GLU A 43 -6.341 4.746 -10.990 1.00 0.00 C ATOM 601 C GLU A 43 -6.756 4.533 -9.537 1.00 0.00 C ATOM 602 O GLU A 43 -7.698 3.795 -9.250 1.00 0.00 O ATOM 603 CB GLU A 43 -7.391 5.594 -11.711 1.00 0.00 C ATOM 604 CG GLU A 43 -8.733 4.899 -11.865 1.00 0.00 C ATOM 605 CD GLU A 43 -9.734 5.730 -12.645 1.00 0.00 C ATOM 606 OE1 GLU A 43 -9.778 5.594 -13.886 1.00 0.00 O ATOM 607 OE2 GLU A 43 -10.473 6.515 -12.016 1.00 0.00 O ATOM 0 H GLU A 43 -6.890 3.250 -12.353 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.386 5.272 -11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.534 6.524 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.014 5.861 -12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.588 3.944 -12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.140 4.679 -10.878 1.00 0.00 H new ATOM 614 N GLY A 44 -6.044 5.184 -8.622 1.00 0.00 N ATOM 615 CA GLY A 44 -6.351 5.053 -7.210 1.00 0.00 C ATOM 616 C GLY A 44 -5.724 3.819 -6.593 1.00 0.00 C ATOM 617 O GLY A 44 -6.264 3.247 -5.646 1.00 0.00 O ATOM 0 H GLY A 44 -5.259 5.800 -8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.999 5.939 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.432 5.012 -7.079 1.00 0.00 H new ATOM 621 N TRP A 45 -4.581 3.406 -7.130 1.00 0.00 N ATOM 622 CA TRP A 45 -3.881 2.230 -6.626 1.00 0.00 C ATOM 623 C TRP A 45 -2.385 2.501 -6.500 1.00 0.00 C ATOM 624 O TRP A 45 -1.846 3.383 -7.167 1.00 0.00 O ATOM 625 CB TRP A 45 -4.119 1.035 -7.550 1.00 0.00 C ATOM 626 CG TRP A 45 -5.538 0.552 -7.543 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.588 1.082 -8.236 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.061 -0.558 -6.804 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.733 0.370 -7.973 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.436 -0.642 -7.099 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.502 -1.489 -5.925 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.257 -1.620 -6.543 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.319 -2.459 -5.375 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.683 -2.519 -5.686 1.00 0.00 C ATOM 0 H TRP A 45 -4.120 3.868 -7.914 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.275 1.999 -5.636 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.842 1.311 -8.567 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.463 0.217 -7.251 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.527 1.936 -8.894 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.655 0.563 -8.365 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.451 -1.452 -5.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.310 -1.667 -6.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.898 -3.183 -4.693 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.294 -3.290 -5.241 1.00 0.00 H new ATOM 645 N TRP A 46 -1.722 1.736 -5.640 1.00 0.00 N ATOM 646 CA TRP A 46 -0.287 1.895 -5.426 1.00 0.00 C ATOM 647 C TRP A 46 0.430 0.553 -5.531 1.00 0.00 C ATOM 648 O TRP A 46 -0.004 -0.441 -4.949 1.00 0.00 O ATOM 649 CB TRP A 46 -0.021 2.524 -4.058 1.00 0.00 C ATOM 650 CG TRP A 46 -0.211 4.010 -4.040 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.075 4.866 -5.096 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.569 4.815 -2.912 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.327 6.155 -4.691 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.634 6.150 -3.356 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.844 4.538 -1.570 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -0.960 7.203 -2.505 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.168 5.584 -0.727 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.224 6.903 -1.196 1.00 0.00 C ATOM 0 H TRP A 46 -2.154 1.001 -5.080 1.00 0.00 H new ATOM 0 HA TRP A 46 0.100 2.555 -6.202 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.686 2.071 -3.323 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.999 2.292 -3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.191 4.573 -6.101 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.291 6.981 -5.288 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.804 3.525 -1.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.003 8.220 -2.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.382 5.381 0.312 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.480 7.698 -0.512 1.00 0.00 H new ATOM 669 N LYS A 47 1.529 0.531 -6.277 1.00 0.00 N ATOM 670 CA LYS A 47 2.308 -0.688 -6.457 1.00 0.00 C ATOM 671 C LYS A 47 3.336 -0.847 -5.342 1.00 0.00 C ATOM 672 O LYS A 47 4.404 -0.234 -5.377 1.00 0.00 O ATOM 673 CB LYS A 47 3.012 -0.672 -7.816 1.00 0.00 C ATOM 674 CG LYS A 47 3.403 -2.052 -8.315 1.00 0.00 C ATOM 675 CD LYS A 47 2.264 -2.713 -9.074 1.00 0.00 C ATOM 676 CE LYS A 47 2.315 -2.380 -10.557 1.00 0.00 C ATOM 677 NZ LYS A 47 1.135 -2.920 -11.287 1.00 0.00 N ATOM 0 H LYS A 47 1.901 1.345 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 47 1.623 -1.535 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.357 -0.202 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.907 -0.054 -7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.276 -1.972 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.690 -2.678 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.315 -3.794 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.311 -2.386 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.358 -1.298 -10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.228 -2.789 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.875 -2.270 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.370 -3.851 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.335 -3.016 -10.630 1.00 0.00 H new ATOM 691 N CYS A 48 3.008 -1.673 -4.355 1.00 0.00 N ATOM 692 CA CYS A 48 3.904 -1.913 -3.229 1.00 0.00 C ATOM 693 C CYS A 48 4.476 -3.326 -3.281 1.00 0.00 C ATOM 694 O CYS A 48 4.054 -4.149 -4.094 1.00 0.00 O ATOM 695 CB CYS A 48 3.166 -1.697 -1.907 1.00 0.00 C ATOM 696 SG CYS A 48 2.191 -0.175 -1.847 1.00 0.00 S ATOM 0 H CYS A 48 2.129 -2.188 -4.311 1.00 0.00 H new ATOM 0 HA CYS A 48 4.729 -1.204 -3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.506 -2.546 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.893 -1.682 -1.095 1.00 0.00 H new ATOM 0 HG CYS A 48 1.440 -0.183 -0.786 1.00 0.00 H new ATOM 702 N LEU A 49 5.441 -3.600 -2.409 1.00 0.00 N ATOM 703 CA LEU A 49 6.073 -4.914 -2.356 1.00 0.00 C ATOM 704 C LEU A 49 6.002 -5.495 -0.948 1.00 0.00 C ATOM 705 O LEU A 49 6.419 -4.858 0.021 1.00 0.00 O ATOM 706 CB LEU A 49 7.531 -4.818 -2.808 1.00 0.00 C ATOM 707 CG LEU A 49 8.328 -6.124 -2.785 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.643 -6.532 -1.355 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.563 -7.228 -3.501 1.00 0.00 C ATOM 0 H LEU A 49 5.802 -2.930 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 49 5.533 -5.578 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.551 -4.421 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.041 -4.093 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 49 9.269 -5.962 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.210 -7.463 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.232 -5.750 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.713 -6.676 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.145 -8.150 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.606 -7.389 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.390 -6.938 -4.537 1.00 0.00 H new ATOM 721 N LEU A 50 5.475 -6.710 -0.841 1.00 0.00 N ATOM 722 CA LEU A 50 5.352 -7.380 0.449 1.00 0.00 C ATOM 723 C LEU A 50 5.503 -8.890 0.296 1.00 0.00 C ATOM 724 O LEU A 50 4.849 -9.507 -0.546 1.00 0.00 O ATOM 725 CB LEU A 50 4.001 -7.053 1.089 1.00 0.00 C ATOM 726 CG LEU A 50 3.841 -7.447 2.558 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.416 -6.371 3.465 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.376 -7.698 2.886 1.00 0.00 C ATOM 0 H LEU A 50 5.126 -7.251 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 50 6.151 -7.018 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.830 -5.980 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.219 -7.549 0.513 1.00 0.00 H new ATOM 0 HG LEU A 50 4.394 -8.370 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.293 -6.669 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.476 -6.240 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.892 -5.431 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.281 -7.977 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.801 -6.792 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.996 -8.505 2.260 1.00 0.00 H new ATOM 740 N HIS A 51 6.367 -9.480 1.115 1.00 0.00 N ATOM 741 CA HIS A 51 6.602 -10.918 1.072 1.00 0.00 C ATOM 742 C HIS A 51 6.702 -11.410 -0.369 1.00 0.00 C ATOM 743 O HIS A 51 6.217 -12.490 -0.702 1.00 0.00 O ATOM 744 CB HIS A 51 5.481 -11.661 1.800 1.00 0.00 C ATOM 745 CG HIS A 51 5.557 -11.547 3.291 1.00 0.00 C ATOM 746 ND1 HIS A 51 6.624 -12.017 4.029 1.00 0.00 N ATOM 747 CD2 HIS A 51 4.692 -11.012 4.184 1.00 0.00 C ATOM 748 CE1 HIS A 51 6.410 -11.777 5.310 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.245 -11.167 5.431 1.00 0.00 N ATOM 0 H HIS A 51 6.916 -8.984 1.817 1.00 0.00 H new ATOM 0 HA HIS A 51 7.548 -11.122 1.573 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.520 -11.273 1.463 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.514 -12.714 1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.743 -10.549 3.958 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.075 -12.036 6.121 1.00 0.00 H new ATOM 0 HE2 HIS A 51 4.824 -10.861 6.308 1.00 0.00 H new ATOM 758 N GLY A 52 7.334 -10.607 -1.220 1.00 0.00 N ATOM 759 CA GLY A 52 7.484 -10.977 -2.616 1.00 0.00 C ATOM 760 C GLY A 52 6.158 -11.030 -3.348 1.00 0.00 C ATOM 761 O GLY A 52 5.869 -11.996 -4.054 1.00 0.00 O ATOM 0 H GLY A 52 7.744 -9.708 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.140 -10.260 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.970 -11.951 -2.680 1.00 0.00 H new ATOM 765 N ARG A 53 5.350 -9.989 -3.180 1.00 0.00 N ATOM 766 CA ARG A 53 4.046 -9.921 -3.828 1.00 0.00 C ATOM 767 C ARG A 53 4.115 -9.085 -5.103 1.00 0.00 C ATOM 768 O ARG A 53 3.745 -9.548 -6.181 1.00 0.00 O ATOM 769 CB ARG A 53 3.007 -9.330 -2.873 1.00 0.00 C ATOM 770 CG ARG A 53 2.474 -10.329 -1.860 1.00 0.00 C ATOM 771 CD ARG A 53 1.523 -11.325 -2.506 1.00 0.00 C ATOM 772 NE ARG A 53 0.279 -10.693 -2.938 1.00 0.00 N ATOM 773 CZ ARG A 53 -0.593 -11.271 -3.756 1.00 0.00 C ATOM 774 NH1 ARG A 53 -0.359 -12.487 -4.228 1.00 0.00 N ATOM 775 NH2 ARG A 53 -1.703 -10.632 -4.103 1.00 0.00 N ATOM 0 H ARG A 53 5.575 -9.181 -2.600 1.00 0.00 H new ATOM 0 HA ARG A 53 3.748 -10.935 -4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.451 -8.488 -2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.174 -8.936 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.306 -10.864 -1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.958 -9.798 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.011 -11.788 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.298 -12.123 -1.798 1.00 0.00 H new ATOM 0 HE ARG A 53 0.069 -9.757 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.493 -12.982 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.031 -12.928 -4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.887 -9.696 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.372 -11.077 -4.731 1.00 0.00 H new ATOM 789 N GLN A 54 4.591 -7.851 -4.969 1.00 0.00 N ATOM 790 CA GLN A 54 4.707 -6.950 -6.110 1.00 0.00 C ATOM 791 C GLN A 54 3.342 -6.687 -6.737 1.00 0.00 C ATOM 792 O GLN A 54 3.155 -6.865 -7.940 1.00 0.00 O ATOM 793 CB GLN A 54 5.657 -7.537 -7.155 1.00 0.00 C ATOM 794 CG GLN A 54 7.117 -7.192 -6.912 1.00 0.00 C ATOM 795 CD GLN A 54 7.933 -7.171 -8.190 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.749 -8.011 -9.071 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.840 -6.207 -8.298 1.00 0.00 N ATOM 0 H GLN A 54 4.902 -7.453 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 54 5.111 -6.003 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.546 -8.621 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.366 -7.176 -8.142 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.180 -6.217 -6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.548 -7.918 -6.222 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.959 -5.532 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.418 -6.142 -9.136 1.00 0.00 H new ATOM 806 N GLY A 55 2.389 -6.262 -5.912 1.00 0.00 N ATOM 807 CA GLY A 55 1.053 -5.981 -6.404 1.00 0.00 C ATOM 808 C GLY A 55 0.599 -4.572 -6.079 1.00 0.00 C ATOM 809 O GLY A 55 1.335 -3.802 -5.460 1.00 0.00 O ATOM 0 H GLY A 55 2.519 -6.107 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.029 -6.127 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.352 -6.694 -5.970 1.00 0.00 H new ATOM 813 N LEU A 56 -0.615 -4.232 -6.497 1.00 0.00 N ATOM 814 CA LEU A 56 -1.166 -2.905 -6.248 1.00 0.00 C ATOM 815 C LEU A 56 -1.869 -2.852 -4.895 1.00 0.00 C ATOM 816 O LEU A 56 -2.119 -3.884 -4.274 1.00 0.00 O ATOM 817 CB LEU A 56 -2.144 -2.520 -7.359 1.00 0.00 C ATOM 818 CG LEU A 56 -1.560 -2.440 -8.770 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.664 -2.535 -9.811 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.767 -1.153 -8.946 1.00 0.00 C ATOM 0 H LEU A 56 -1.237 -4.857 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.341 -2.193 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.959 -3.244 -7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.580 -1.552 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.883 -3.283 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.229 -2.476 -10.809 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.189 -3.484 -9.699 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.367 -1.713 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.359 -1.113 -9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.422 -0.297 -8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.049 -1.126 -8.223 1.00 0.00 H new ATOM 832 N ALA A 57 -2.188 -1.642 -4.446 1.00 0.00 N ATOM 833 CA ALA A 57 -2.866 -1.455 -3.170 1.00 0.00 C ATOM 834 C ALA A 57 -3.719 -0.191 -3.181 1.00 0.00 C ATOM 835 O ALA A 57 -3.352 0.829 -3.763 1.00 0.00 O ATOM 836 CB ALA A 57 -1.852 -1.400 -2.037 1.00 0.00 C ATOM 0 H ALA A 57 -1.987 -0.777 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.528 -2.306 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.372 -1.260 -1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.289 -2.333 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.167 -0.568 -2.201 1.00 0.00 H new ATOM 842 N PRO A 58 -4.887 -0.259 -2.525 1.00 0.00 N ATOM 843 CA PRO A 58 -5.817 0.872 -2.445 1.00 0.00 C ATOM 844 C PRO A 58 -5.280 2.004 -1.575 1.00 0.00 C ATOM 845 O PRO A 58 -5.286 1.912 -0.348 1.00 0.00 O ATOM 846 CB PRO A 58 -7.068 0.258 -1.812 1.00 0.00 C ATOM 847 CG PRO A 58 -6.566 -0.912 -1.038 1.00 0.00 C ATOM 848 CD PRO A 58 -5.389 -1.443 -1.808 1.00 0.00 C ATOM 0 HA PRO A 58 -5.994 1.324 -3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.575 0.973 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.786 -0.049 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.272 -0.617 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.340 -1.673 -0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.632 -1.862 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.684 -2.235 -2.497 1.00 0.00 H new ATOM 856 N ALA A 59 -4.817 3.070 -2.219 1.00 0.00 N ATOM 857 CA ALA A 59 -4.280 4.220 -1.503 1.00 0.00 C ATOM 858 C ALA A 59 -5.288 4.759 -0.493 1.00 0.00 C ATOM 859 O ALA A 59 -4.928 5.495 0.424 1.00 0.00 O ATOM 860 CB ALA A 59 -3.879 5.312 -2.484 1.00 0.00 C ATOM 0 H ALA A 59 -4.803 3.161 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.395 3.894 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.480 6.165 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.118 4.929 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.752 5.625 -3.056 1.00 0.00 H new ATOM 866 N ASN A 60 -6.551 4.386 -0.669 1.00 0.00 N ATOM 867 CA ASN A 60 -7.611 4.832 0.228 1.00 0.00 C ATOM 868 C ASN A 60 -7.517 4.126 1.576 1.00 0.00 C ATOM 869 O ASN A 60 -7.954 4.656 2.598 1.00 0.00 O ATOM 870 CB ASN A 60 -8.982 4.575 -0.402 1.00 0.00 C ATOM 871 CG ASN A 60 -10.122 4.886 0.549 1.00 0.00 C ATOM 872 OD1 ASN A 60 -10.719 3.983 1.136 1.00 0.00 O ATOM 873 ND2 ASN A 60 -10.430 6.168 0.704 1.00 0.00 N ATOM 0 H ASN A 60 -6.866 3.776 -1.424 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.488 5.903 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.086 5.183 -1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.046 3.532 -0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.189 6.438 1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.908 6.883 0.197 1.00 0.00 H new ATOM 880 N ARG A 61 -6.945 2.926 1.571 1.00 0.00 N ATOM 881 CA ARG A 61 -6.794 2.146 2.793 1.00 0.00 C ATOM 882 C ARG A 61 -5.351 2.185 3.289 1.00 0.00 C ATOM 883 O ARG A 61 -4.982 1.464 4.216 1.00 0.00 O ATOM 884 CB ARG A 61 -7.224 0.697 2.555 1.00 0.00 C ATOM 885 CG ARG A 61 -8.665 0.557 2.094 1.00 0.00 C ATOM 886 CD ARG A 61 -9.238 -0.803 2.460 1.00 0.00 C ATOM 887 NE ARG A 61 -10.696 -0.780 2.537 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.371 -0.217 3.533 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.723 0.366 4.531 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.698 -0.237 3.531 1.00 0.00 N ATOM 0 H ARG A 61 -6.579 2.473 0.734 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.434 2.587 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.568 0.250 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.090 0.131 3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.271 1.342 2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.718 0.697 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.926 -1.539 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.829 -1.122 3.419 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.225 -1.221 1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.703 0.383 4.536 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.244 0.797 5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.200 -0.685 2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.216 0.195 4.296 1.00 0.00 H new ATOM 904 N LEU A 62 -4.540 3.032 2.665 1.00 0.00 N ATOM 905 CA LEU A 62 -3.137 3.165 3.041 1.00 0.00 C ATOM 906 C LEU A 62 -2.905 4.449 3.832 1.00 0.00 C ATOM 907 O LEU A 62 -3.703 5.383 3.764 1.00 0.00 O ATOM 908 CB LEU A 62 -2.250 3.154 1.795 1.00 0.00 C ATOM 909 CG LEU A 62 -1.823 1.775 1.288 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.054 1.026 2.364 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.036 0.973 0.839 1.00 0.00 C ATOM 0 H LEU A 62 -4.830 3.637 1.897 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.875 2.317 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.779 3.667 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.353 3.735 2.007 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.165 1.912 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.758 0.047 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.164 1.593 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.687 0.899 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.714 -0.005 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.719 0.845 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.545 1.503 0.035 1.00 0.00 H new ATOM 923 N GLN A 63 -1.807 4.487 4.579 1.00 0.00 N ATOM 924 CA GLN A 63 -1.470 5.657 5.381 1.00 0.00 C ATOM 925 C GLN A 63 -0.029 6.091 5.133 1.00 0.00 C ATOM 926 O GLN A 63 0.911 5.478 5.640 1.00 0.00 O ATOM 927 CB GLN A 63 -1.676 5.360 6.868 1.00 0.00 C ATOM 928 CG GLN A 63 -1.286 6.512 7.779 1.00 0.00 C ATOM 929 CD GLN A 63 -1.142 6.088 9.227 1.00 0.00 C ATOM 930 OE1 GLN A 63 -0.394 5.163 9.544 1.00 0.00 O ATOM 931 NE2 GLN A 63 -1.859 6.765 10.117 1.00 0.00 N ATOM 0 H GLN A 63 -1.136 3.722 4.646 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.132 6.471 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.724 5.112 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.092 4.480 7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.345 6.940 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.038 7.297 7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.467 7.525 9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.802 6.525 11.107 1.00 0.00 H new ATOM 940 N ILE A 64 0.138 7.151 4.349 1.00 0.00 N ATOM 941 CA ILE A 64 1.464 7.667 4.034 1.00 0.00 C ATOM 942 C ILE A 64 2.163 8.188 5.285 1.00 0.00 C ATOM 943 O ILE A 64 1.683 9.117 5.936 1.00 0.00 O ATOM 944 CB ILE A 64 1.395 8.797 2.989 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.721 8.298 1.710 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.790 9.325 2.689 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.389 7.080 1.110 1.00 0.00 C ATOM 0 H ILE A 64 -0.629 7.669 3.920 1.00 0.00 H new ATOM 0 HA ILE A 64 2.036 6.836 3.621 1.00 0.00 H new ATOM 0 HB ILE A 64 0.798 9.613 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.321 8.061 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.719 9.101 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.726 10.123 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.236 9.714 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.409 8.517 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.858 6.782 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.423 7.318 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.368 6.262 1.830 1.00 0.00 H new ATOM 959 N LEU A 65 3.300 7.585 5.615 1.00 0.00 N ATOM 960 CA LEU A 65 4.067 7.989 6.788 1.00 0.00 C ATOM 961 C LEU A 65 5.366 8.676 6.378 1.00 0.00 C ATOM 962 O LEU A 65 6.381 8.019 6.146 1.00 0.00 O ATOM 963 CB LEU A 65 4.374 6.774 7.664 1.00 0.00 C ATOM 964 CG LEU A 65 3.163 5.991 8.174 1.00 0.00 C ATOM 965 CD1 LEU A 65 3.610 4.743 8.918 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.299 6.868 9.069 1.00 0.00 C ATOM 0 H LEU A 65 3.711 6.815 5.087 1.00 0.00 H new ATOM 0 HA LEU A 65 3.467 8.698 7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.009 6.093 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.954 7.109 8.524 1.00 0.00 H new ATOM 0 HG LEU A 65 2.566 5.683 7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.735 4.199 9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.186 4.106 8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.230 5.029 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.442 6.294 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.886 7.207 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.949 7.732 8.504 1.00 0.00 H new ATOM 978 N SER A 66 5.328 10.002 6.294 1.00 0.00 N ATOM 979 CA SER A 66 6.501 10.778 5.912 1.00 0.00 C ATOM 980 C SER A 66 6.656 12.005 6.806 1.00 0.00 C ATOM 981 O SER A 66 5.756 12.347 7.571 1.00 0.00 O ATOM 982 CB SER A 66 6.398 11.210 4.448 1.00 0.00 C ATOM 983 OG SER A 66 5.256 12.021 4.234 1.00 0.00 O ATOM 0 H SER A 66 4.497 10.561 6.486 1.00 0.00 H new ATOM 0 HA SER A 66 7.380 10.146 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.296 11.759 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.347 10.329 3.808 1.00 0.00 H new ATOM 0 HG SER A 66 5.214 12.285 3.291 1.00 0.00 H new ATOM 989 N GLY A 67 7.807 12.664 6.702 1.00 0.00 N ATOM 990 CA GLY A 67 8.060 13.845 7.506 1.00 0.00 C ATOM 991 C GLY A 67 9.049 14.790 6.852 1.00 0.00 C ATOM 992 O GLY A 67 9.251 14.769 5.638 1.00 0.00 O ATOM 0 H GLY A 67 8.568 12.401 6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.121 14.370 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.442 13.542 8.481 1.00 0.00 H new ATOM 996 N PRO A 68 9.684 15.645 7.667 1.00 0.00 N ATOM 997 CA PRO A 68 10.666 16.619 7.182 1.00 0.00 C ATOM 998 C PRO A 68 11.956 15.957 6.712 1.00 0.00 C ATOM 999 O PRO A 68 12.456 15.027 7.346 1.00 0.00 O ATOM 1000 CB PRO A 68 10.932 17.495 8.409 1.00 0.00 C ATOM 1001 CG PRO A 68 10.613 16.623 9.574 1.00 0.00 C ATOM 1002 CD PRO A 68 9.493 15.726 9.125 1.00 0.00 C ATOM 0 HA PRO A 68 10.299 17.172 6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.969 17.831 8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.307 18.388 8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.483 16.040 9.875 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.314 17.218 10.437 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.553 14.744 9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.518 16.142 9.380 1.00 0.00 H new ATOM 1010 N SER A 69 12.492 16.440 5.595 1.00 0.00 N ATOM 1011 CA SER A 69 13.723 15.892 5.038 1.00 0.00 C ATOM 1012 C SER A 69 14.933 16.334 5.854 1.00 0.00 C ATOM 1013 O SER A 69 15.286 17.513 5.873 1.00 0.00 O ATOM 1014 CB SER A 69 13.888 16.331 3.582 1.00 0.00 C ATOM 1015 OG SER A 69 15.169 15.985 3.087 1.00 0.00 O ATOM 0 H SER A 69 12.093 17.210 5.058 1.00 0.00 H new ATOM 0 HA SER A 69 13.658 14.805 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.119 15.862 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.744 17.409 3.505 1.00 0.00 H new ATOM 0 HG SER A 69 15.249 16.275 2.154 1.00 0.00 H new ATOM 1021 N SER A 70 15.565 15.379 6.529 1.00 0.00 N ATOM 1022 CA SER A 70 16.734 15.669 7.351 1.00 0.00 C ATOM 1023 C SER A 70 17.335 14.384 7.912 1.00 0.00 C ATOM 1024 O SER A 70 16.678 13.345 7.957 1.00 0.00 O ATOM 1025 CB SER A 70 16.357 16.611 8.495 1.00 0.00 C ATOM 1026 OG SER A 70 15.241 16.119 9.216 1.00 0.00 O ATOM 0 H SER A 70 15.287 14.398 6.523 1.00 0.00 H new ATOM 0 HA SER A 70 17.480 16.154 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.206 16.728 9.169 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.129 17.599 8.096 1.00 0.00 H new ATOM 0 HG SER A 70 15.022 16.739 9.943 1.00 0.00 H new ATOM 1032 N GLY A 71 18.592 14.463 8.339 1.00 0.00 N ATOM 1033 CA GLY A 71 19.263 13.301 8.892 1.00 0.00 C ATOM 1034 C GLY A 71 20.169 13.653 10.055 1.00 0.00 C ATOM 1035 O GLY A 71 21.380 13.791 9.887 1.00 0.00 O ATOM 0 H GLY A 71 19.158 15.311 8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.517 12.578 9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 71 19.851 12.819 8.111 1.00 0.00 H new TER 1039 GLY A 71