USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 492 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 42:sc= 0.65 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 11 LYS NZ :NH3+ -151:sc= -3.44! (180deg=-5.43!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.595 X(o=-0.59,f=-0.26) USER MOD Single : A 16 TYR OH : rot -15:sc= -2.86! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0641 K(o=-0.064,f=-0.85) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.28) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.29 K(o=-0.29,f=-0.94) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.377 F(o=-1.5,f=-0.38) USER MOD Single : A 43 TYR OH : rot 67:sc= 1.27 USER MOD Single : A 44 GLN : amide:sc= -0.289 K(o=-0.29,f=-4!) USER MOD Single : A 48 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.849 USER MOD Single : A 63 SER OG : rot -160:sc= -0.55 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.527 -4.027 12.787 1.00 0.00 N ATOM 2 CA GLY A 1 -18.371 -4.904 12.781 1.00 0.00 C ATOM 3 C GLY A 1 -17.984 -5.345 11.383 1.00 0.00 C ATOM 4 O GLY A 1 -18.663 -6.174 10.777 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.751 -3.754 13.765 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.319 -3.175 12.229 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.341 -4.523 12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.528 -4.391 13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.582 -5.783 13.390 1.00 0.00 H new ATOM 8 N SER A 2 -16.893 -4.788 10.868 1.00 0.00 N ATOM 9 CA SER A 2 -16.421 -5.124 9.531 1.00 0.00 C ATOM 10 C SER A 2 -15.444 -6.295 9.578 1.00 0.00 C ATOM 11 O SER A 2 -14.253 -6.114 9.833 1.00 0.00 O ATOM 12 CB SER A 2 -15.750 -3.911 8.883 1.00 0.00 C ATOM 13 OG SER A 2 -14.692 -3.423 9.690 1.00 0.00 O ATOM 0 H SER A 2 -16.319 -4.101 11.357 1.00 0.00 H new ATOM 0 HA SER A 2 -17.283 -5.416 8.932 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.366 -4.185 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.487 -3.123 8.728 1.00 0.00 H new ATOM 0 HG SER A 2 -14.174 -4.177 10.041 1.00 0.00 H new ATOM 19 N SER A 3 -15.956 -7.496 9.330 1.00 0.00 N ATOM 20 CA SER A 3 -15.131 -8.698 9.348 1.00 0.00 C ATOM 21 C SER A 3 -15.824 -9.843 8.615 1.00 0.00 C ATOM 22 O SER A 3 -17.036 -9.820 8.408 1.00 0.00 O ATOM 23 CB SER A 3 -14.825 -9.111 10.789 1.00 0.00 C ATOM 24 OG SER A 3 -13.833 -10.122 10.830 1.00 0.00 O ATOM 0 H SER A 3 -16.939 -7.663 9.114 1.00 0.00 H new ATOM 0 HA SER A 3 -14.195 -8.474 8.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.488 -8.243 11.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.735 -9.471 11.269 1.00 0.00 H new ATOM 0 HG SER A 3 -13.654 -10.367 11.762 1.00 0.00 H new ATOM 30 N GLY A 4 -15.043 -10.846 8.225 1.00 0.00 N ATOM 31 CA GLY A 4 -15.597 -11.987 7.519 1.00 0.00 C ATOM 32 C GLY A 4 -14.753 -12.398 6.329 1.00 0.00 C ATOM 33 O GLY A 4 -14.471 -13.581 6.139 1.00 0.00 O ATOM 0 H GLY A 4 -14.037 -10.889 8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.684 -12.828 8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.605 -11.746 7.180 1.00 0.00 H new ATOM 37 N SER A 5 -14.351 -11.420 5.524 1.00 0.00 N ATOM 38 CA SER A 5 -13.539 -11.688 4.343 1.00 0.00 C ATOM 39 C SER A 5 -12.074 -11.348 4.602 1.00 0.00 C ATOM 40 O SER A 5 -11.762 -10.466 5.402 1.00 0.00 O ATOM 41 CB SER A 5 -14.057 -10.883 3.149 1.00 0.00 C ATOM 42 OG SER A 5 -14.075 -9.496 3.438 1.00 0.00 O ATOM 0 H SER A 5 -14.574 -10.435 5.668 1.00 0.00 H new ATOM 0 HA SER A 5 -13.613 -12.751 4.116 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.426 -11.068 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.062 -11.217 2.890 1.00 0.00 H new ATOM 0 HG SER A 5 -14.408 -9.004 2.659 1.00 0.00 H new ATOM 48 N SER A 6 -11.179 -12.056 3.920 1.00 0.00 N ATOM 49 CA SER A 6 -9.747 -11.833 4.078 1.00 0.00 C ATOM 50 C SER A 6 -9.206 -10.957 2.952 1.00 0.00 C ATOM 51 O SER A 6 -8.961 -11.431 1.844 1.00 0.00 O ATOM 52 CB SER A 6 -9.001 -13.169 4.103 1.00 0.00 C ATOM 53 OG SER A 6 -9.211 -13.847 5.330 1.00 0.00 O ATOM 0 H SER A 6 -11.421 -12.789 3.253 1.00 0.00 H new ATOM 0 HA SER A 6 -9.587 -11.318 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.339 -13.794 3.276 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.935 -12.997 3.957 1.00 0.00 H new ATOM 0 HG SER A 6 -8.726 -14.698 5.321 1.00 0.00 H new ATOM 59 N GLY A 7 -9.021 -9.673 3.247 1.00 0.00 N ATOM 60 CA GLY A 7 -8.510 -8.750 2.250 1.00 0.00 C ATOM 61 C GLY A 7 -6.995 -8.729 2.202 1.00 0.00 C ATOM 62 O GLY A 7 -6.318 -8.931 3.210 1.00 0.00 O ATOM 0 H GLY A 7 -9.216 -9.256 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.898 -9.028 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.878 -7.747 2.466 1.00 0.00 H new ATOM 66 N PRO A 8 -6.441 -8.480 1.006 1.00 0.00 N ATOM 67 CA PRO A 8 -4.990 -8.429 0.801 1.00 0.00 C ATOM 68 C PRO A 8 -4.355 -7.209 1.459 1.00 0.00 C ATOM 69 O PRO A 8 -5.046 -6.256 1.820 1.00 0.00 O ATOM 70 CB PRO A 8 -4.849 -8.350 -0.721 1.00 0.00 C ATOM 71 CG PRO A 8 -6.128 -7.745 -1.189 1.00 0.00 C ATOM 72 CD PRO A 8 -7.187 -8.230 -0.238 1.00 0.00 C ATOM 0 HA PRO A 8 -4.485 -9.287 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.993 -7.739 -1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.696 -9.338 -1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.069 -6.657 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.353 -8.049 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.969 -7.485 -0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.672 -9.135 -0.604 1.00 0.00 H new ATOM 80 N ARG A 9 -3.035 -7.244 1.611 1.00 0.00 N ATOM 81 CA ARG A 9 -2.307 -6.141 2.226 1.00 0.00 C ATOM 82 C ARG A 9 -0.935 -5.968 1.581 1.00 0.00 C ATOM 83 O ARG A 9 -0.520 -6.780 0.755 1.00 0.00 O ATOM 84 CB ARG A 9 -2.150 -6.381 3.729 1.00 0.00 C ATOM 85 CG ARG A 9 -3.452 -6.265 4.504 1.00 0.00 C ATOM 86 CD ARG A 9 -3.277 -6.689 5.954 1.00 0.00 C ATOM 87 NE ARG A 9 -4.504 -7.251 6.511 1.00 0.00 N ATOM 88 CZ ARG A 9 -5.048 -8.388 6.093 1.00 0.00 C ATOM 89 NH1 ARG A 9 -4.477 -9.081 5.117 1.00 0.00 N ATOM 90 NH2 ARG A 9 -6.167 -8.835 6.650 1.00 0.00 N ATOM 0 H ARG A 9 -2.448 -8.025 1.317 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.880 -5.227 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.730 -7.374 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.433 -5.664 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.809 -5.236 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.214 -6.885 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.477 -7.426 6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.969 -5.829 6.549 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.969 -6.742 7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.618 -8.741 4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.897 -9.954 4.798 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.610 -8.305 7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.584 -9.709 6.328 1.00 0.00 H new ATOM 104 N ALA A 10 -0.236 -4.905 1.965 1.00 0.00 N ATOM 105 CA ALA A 10 1.089 -4.627 1.426 1.00 0.00 C ATOM 106 C ALA A 10 1.979 -3.964 2.471 1.00 0.00 C ATOM 107 O ALA A 10 1.509 -3.179 3.295 1.00 0.00 O ATOM 108 CB ALA A 10 0.982 -3.749 0.188 1.00 0.00 C ATOM 0 H ALA A 10 -0.566 -4.222 2.647 1.00 0.00 H new ATOM 0 HA ALA A 10 1.546 -5.576 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.979 -3.549 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.390 -4.260 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.500 -2.807 0.450 1.00 0.00 H new ATOM 114 N LYS A 11 3.269 -4.283 2.433 1.00 0.00 N ATOM 115 CA LYS A 11 4.226 -3.718 3.376 1.00 0.00 C ATOM 116 C LYS A 11 5.215 -2.801 2.664 1.00 0.00 C ATOM 117 O LYS A 11 5.730 -3.137 1.598 1.00 0.00 O ATOM 118 CB LYS A 11 4.980 -4.836 4.100 1.00 0.00 C ATOM 119 CG LYS A 11 5.779 -4.354 5.299 1.00 0.00 C ATOM 120 CD LYS A 11 5.913 -5.440 6.353 1.00 0.00 C ATOM 121 CE LYS A 11 7.091 -6.357 6.060 1.00 0.00 C ATOM 122 NZ LYS A 11 6.884 -7.146 4.815 1.00 0.00 N ATOM 0 H LYS A 11 3.675 -4.931 1.758 1.00 0.00 H new ATOM 0 HA LYS A 11 3.673 -3.128 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.265 -5.590 4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.655 -5.323 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.770 -4.037 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.293 -3.481 5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.041 -4.983 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.995 -6.026 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.999 -5.762 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.240 -7.036 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.393 -8.050 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.869 -7.330 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.245 -6.610 4.000 1.00 0.00 H new ATOM 136 N ALA A 12 5.478 -1.644 3.262 1.00 0.00 N ATOM 137 CA ALA A 12 6.408 -0.680 2.686 1.00 0.00 C ATOM 138 C ALA A 12 7.838 -1.209 2.724 1.00 0.00 C ATOM 139 O ALA A 12 8.253 -1.838 3.698 1.00 0.00 O ATOM 140 CB ALA A 12 6.315 0.648 3.422 1.00 0.00 C ATOM 0 H ALA A 12 5.060 -1.351 4.145 1.00 0.00 H new ATOM 0 HA ALA A 12 6.133 -0.524 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.015 1.358 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.301 1.039 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.562 0.500 4.473 1.00 0.00 H new ATOM 146 N LEU A 13 8.588 -0.950 1.658 1.00 0.00 N ATOM 147 CA LEU A 13 9.972 -1.400 1.569 1.00 0.00 C ATOM 148 C LEU A 13 10.933 -0.292 1.988 1.00 0.00 C ATOM 149 O LEU A 13 11.999 -0.559 2.545 1.00 0.00 O ATOM 150 CB LEU A 13 10.291 -1.854 0.143 1.00 0.00 C ATOM 151 CG LEU A 13 9.613 -3.146 -0.317 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.068 -3.516 -1.720 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.906 -4.277 0.657 1.00 0.00 C ATOM 0 H LEU A 13 8.260 -0.431 0.844 1.00 0.00 H new ATOM 0 HA LEU A 13 10.098 -2.242 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.009 -1.055 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.370 -1.983 0.057 1.00 0.00 H new ATOM 0 HG LEU A 13 8.536 -2.982 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.576 -4.437 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.807 -2.714 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.148 -3.662 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.416 -5.188 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.982 -4.442 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.530 -4.013 1.645 1.00 0.00 H new ATOM 165 N CYS A 14 10.548 0.951 1.719 1.00 0.00 N ATOM 166 CA CYS A 14 11.375 2.100 2.070 1.00 0.00 C ATOM 167 C CYS A 14 10.510 3.313 2.396 1.00 0.00 C ATOM 168 O CYS A 14 9.327 3.352 2.061 1.00 0.00 O ATOM 169 CB CYS A 14 12.333 2.434 0.926 1.00 0.00 C ATOM 170 SG CYS A 14 11.509 2.916 -0.610 1.00 0.00 S ATOM 0 H CYS A 14 9.669 1.189 1.259 1.00 0.00 H new ATOM 0 HA CYS A 14 11.955 1.842 2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.991 3.243 1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.965 1.567 0.730 1.00 0.00 H new ATOM 0 HG CYS A 14 12.402 3.181 -1.517 1.00 0.00 H new ATOM 176 N ASN A 15 11.109 4.302 3.052 1.00 0.00 N ATOM 177 CA ASN A 15 10.392 5.516 3.425 1.00 0.00 C ATOM 178 C ASN A 15 9.665 6.110 2.222 1.00 0.00 C ATOM 179 O ASN A 15 10.288 6.468 1.222 1.00 0.00 O ATOM 180 CB ASN A 15 11.361 6.546 4.009 1.00 0.00 C ATOM 181 CG ASN A 15 12.631 6.674 3.191 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.692 7.446 2.234 1.00 0.00 O ATOM 183 ND2 ASN A 15 13.655 5.914 3.564 1.00 0.00 N ATOM 0 H ASN A 15 12.089 4.286 3.336 1.00 0.00 H new ATOM 0 HA ASN A 15 9.652 5.253 4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.867 7.516 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.617 6.262 5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.535 5.957 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.561 5.288 4.364 1.00 0.00 H new ATOM 190 N TYR A 16 8.345 6.212 2.327 1.00 0.00 N ATOM 191 CA TYR A 16 7.533 6.760 1.248 1.00 0.00 C ATOM 192 C TYR A 16 6.822 8.034 1.695 1.00 0.00 C ATOM 193 O TYR A 16 5.969 8.565 0.983 1.00 0.00 O ATOM 194 CB TYR A 16 6.506 5.728 0.779 1.00 0.00 C ATOM 195 CG TYR A 16 6.146 5.855 -0.684 1.00 0.00 C ATOM 196 CD1 TYR A 16 7.083 5.594 -1.676 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.867 6.234 -1.074 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.758 5.709 -3.014 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.533 6.351 -2.410 1.00 0.00 C ATOM 200 CZ TYR A 16 5.482 6.088 -3.376 1.00 0.00 C ATOM 201 OH TYR A 16 5.154 6.202 -4.707 1.00 0.00 O ATOM 0 H TYR A 16 7.815 5.922 3.149 1.00 0.00 H new ATOM 0 HA TYR A 16 8.195 7.006 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.898 4.728 0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.601 5.830 1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.083 5.296 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.122 6.441 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.499 5.503 -3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.534 6.647 -2.696 1.00 0.00 H new ATOM 0 HH TYR A 16 5.973 6.219 -5.245 1.00 0.00 H new ATOM 211 N ARG A 17 7.180 8.520 2.879 1.00 0.00 N ATOM 212 CA ARG A 17 6.577 9.731 3.423 1.00 0.00 C ATOM 213 C ARG A 17 7.181 10.975 2.778 1.00 0.00 C ATOM 214 O ARG A 17 6.948 12.096 3.230 1.00 0.00 O ATOM 215 CB ARG A 17 6.769 9.785 4.939 1.00 0.00 C ATOM 216 CG ARG A 17 5.637 10.487 5.671 1.00 0.00 C ATOM 217 CD ARG A 17 6.141 11.222 6.904 1.00 0.00 C ATOM 218 NE ARG A 17 5.092 11.399 7.903 1.00 0.00 N ATOM 219 CZ ARG A 17 5.322 11.802 9.148 1.00 0.00 C ATOM 220 NH1 ARG A 17 6.560 12.068 9.543 1.00 0.00 N ATOM 221 NH2 ARG A 17 4.314 11.940 10.000 1.00 0.00 N ATOM 0 H ARG A 17 7.885 8.093 3.480 1.00 0.00 H new ATOM 0 HA ARG A 17 5.510 9.708 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.863 8.769 5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.706 10.296 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.151 11.194 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.884 9.756 5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.970 10.667 7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.530 12.197 6.611 1.00 0.00 H new ATOM 0 HE ARG A 17 4.129 11.202 7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.337 11.963 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.735 12.377 10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.361 11.737 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.492 12.249 10.955 1.00 0.00 H new ATOM 235 N GLY A 18 7.960 10.769 1.720 1.00 0.00 N ATOM 236 CA GLY A 18 8.586 11.883 1.032 1.00 0.00 C ATOM 237 C GLY A 18 7.572 12.826 0.414 1.00 0.00 C ATOM 238 O GLY A 18 6.495 13.043 0.969 1.00 0.00 O ATOM 0 H GLY A 18 8.169 9.851 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.210 12.435 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.245 11.501 0.252 1.00 0.00 H new ATOM 242 N LYS A 19 7.917 13.389 -0.739 1.00 0.00 N ATOM 243 CA LYS A 19 7.031 14.315 -1.434 1.00 0.00 C ATOM 244 C LYS A 19 6.639 13.769 -2.803 1.00 0.00 C ATOM 245 O LYS A 19 7.448 13.751 -3.730 1.00 0.00 O ATOM 246 CB LYS A 19 7.706 15.679 -1.592 1.00 0.00 C ATOM 247 CG LYS A 19 7.579 16.566 -0.365 1.00 0.00 C ATOM 248 CD LYS A 19 8.512 16.116 0.747 1.00 0.00 C ATOM 249 CE LYS A 19 9.910 16.686 0.567 1.00 0.00 C ATOM 250 NZ LYS A 19 10.020 18.069 1.107 1.00 0.00 N ATOM 0 H LYS A 19 8.805 13.220 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 19 6.127 14.431 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.763 15.529 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.271 16.194 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.805 17.597 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.550 16.548 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.111 16.432 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.561 15.027 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.632 16.042 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.167 16.688 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.988 18.421 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.349 18.690 0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.800 18.063 2.123 1.00 0.00 H new ATOM 264 N ASN A 20 5.392 13.325 -2.924 1.00 0.00 N ATOM 265 CA ASN A 20 4.893 12.780 -4.181 1.00 0.00 C ATOM 266 C ASN A 20 3.571 13.434 -4.572 1.00 0.00 C ATOM 267 O ASN A 20 2.785 13.857 -3.724 1.00 0.00 O ATOM 268 CB ASN A 20 4.710 11.265 -4.067 1.00 0.00 C ATOM 269 CG ASN A 20 5.967 10.502 -4.439 1.00 0.00 C ATOM 270 OD1 ASN A 20 6.615 10.802 -5.441 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.317 9.508 -3.630 1.00 0.00 N ATOM 0 H ASN A 20 4.709 13.332 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 20 5.628 12.994 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.423 11.012 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.892 10.951 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.153 8.959 -3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.750 9.294 -2.810 1.00 0.00 H new ATOM 278 N PRO A 21 3.319 13.520 -5.886 1.00 0.00 N ATOM 279 CA PRO A 21 2.093 14.120 -6.420 1.00 0.00 C ATOM 280 C PRO A 21 0.860 13.267 -6.139 1.00 0.00 C ATOM 281 O PRO A 21 0.759 12.133 -6.606 1.00 0.00 O ATOM 282 CB PRO A 21 2.360 14.195 -7.925 1.00 0.00 C ATOM 283 CG PRO A 21 3.356 13.118 -8.187 1.00 0.00 C ATOM 284 CD PRO A 21 4.211 13.037 -6.953 1.00 0.00 C ATOM 0 HA PRO A 21 1.880 15.086 -5.963 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.446 14.037 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.750 15.172 -8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.860 12.167 -8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.959 13.349 -9.065 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.548 12.018 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.103 13.656 -7.041 1.00 0.00 H new ATOM 292 N GLY A 22 -0.076 13.821 -5.374 1.00 0.00 N ATOM 293 CA GLY A 22 -1.290 13.097 -5.046 1.00 0.00 C ATOM 294 C GLY A 22 -1.025 11.640 -4.718 1.00 0.00 C ATOM 295 O GLY A 22 -1.649 10.745 -5.288 1.00 0.00 O ATOM 0 H GLY A 22 -0.015 14.758 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.776 13.575 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.983 13.157 -5.885 1.00 0.00 H new ATOM 299 N ASP A 23 -0.096 11.402 -3.799 1.00 0.00 N ATOM 300 CA ASP A 23 0.250 10.044 -3.396 1.00 0.00 C ATOM 301 C ASP A 23 -0.004 9.837 -1.906 1.00 0.00 C ATOM 302 O ASP A 23 -0.432 10.755 -1.205 1.00 0.00 O ATOM 303 CB ASP A 23 1.716 9.751 -3.722 1.00 0.00 C ATOM 304 CG ASP A 23 1.910 9.288 -5.152 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.646 8.100 -5.433 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.324 10.114 -5.992 1.00 0.00 O ATOM 0 H ASP A 23 0.431 12.132 -3.319 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.384 9.354 -3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.310 10.649 -3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.091 8.986 -3.042 1.00 0.00 H new ATOM 311 N LEU A 24 0.262 8.626 -1.429 1.00 0.00 N ATOM 312 CA LEU A 24 0.061 8.298 -0.022 1.00 0.00 C ATOM 313 C LEU A 24 1.396 8.199 0.710 1.00 0.00 C ATOM 314 O LEU A 24 2.268 7.418 0.332 1.00 0.00 O ATOM 315 CB LEU A 24 -0.704 6.980 0.111 1.00 0.00 C ATOM 316 CG LEU A 24 -1.527 6.807 1.388 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.669 5.829 1.159 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.642 6.338 2.533 1.00 0.00 C ATOM 0 H LEU A 24 0.617 7.856 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.524 9.098 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.373 6.884 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.012 6.160 0.050 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.953 7.774 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.243 5.719 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.318 6.206 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.265 4.860 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.244 6.220 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.187 5.382 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.140 7.075 2.714 1.00 0.00 H new ATOM 330 N LYS A 25 1.548 8.997 1.762 1.00 0.00 N ATOM 331 CA LYS A 25 2.774 8.998 2.551 1.00 0.00 C ATOM 332 C LYS A 25 2.721 7.932 3.641 1.00 0.00 C ATOM 333 O LYS A 25 1.804 7.914 4.462 1.00 0.00 O ATOM 334 CB LYS A 25 2.999 10.375 3.180 1.00 0.00 C ATOM 335 CG LYS A 25 3.462 11.428 2.189 1.00 0.00 C ATOM 336 CD LYS A 25 2.286 12.125 1.525 1.00 0.00 C ATOM 337 CE LYS A 25 1.789 13.296 2.358 1.00 0.00 C ATOM 338 NZ LYS A 25 1.036 14.283 1.534 1.00 0.00 N ATOM 0 H LYS A 25 0.837 9.652 2.088 1.00 0.00 H new ATOM 0 HA LYS A 25 3.605 8.769 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.071 10.709 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.740 10.285 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.080 12.165 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.087 10.962 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.582 12.479 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.475 11.412 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.148 12.926 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.637 13.790 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.714 15.066 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.655 14.655 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.212 13.818 1.102 1.00 0.00 H new ATOM 352 N PHE A 26 3.711 7.046 3.644 1.00 0.00 N ATOM 353 CA PHE A 26 3.778 5.977 4.633 1.00 0.00 C ATOM 354 C PHE A 26 5.221 5.709 5.048 1.00 0.00 C ATOM 355 O PHE A 26 6.160 6.203 4.424 1.00 0.00 O ATOM 356 CB PHE A 26 3.149 4.698 4.077 1.00 0.00 C ATOM 357 CG PHE A 26 3.758 4.246 2.780 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.879 3.431 2.772 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.210 4.637 1.569 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.441 3.013 1.581 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.768 4.222 0.374 1.00 0.00 C ATOM 362 CZ PHE A 26 4.886 3.410 0.380 1.00 0.00 C ATOM 0 H PHE A 26 4.478 7.047 2.972 1.00 0.00 H new ATOM 0 HA PHE A 26 3.219 6.295 5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.251 3.902 4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.081 4.861 3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.318 3.119 3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.337 5.273 1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.313 2.376 1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.330 4.532 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.325 3.086 -0.552 1.00 0.00 H new ATOM 372 N ASN A 27 5.390 4.923 6.107 1.00 0.00 N ATOM 373 CA ASN A 27 6.719 4.589 6.607 1.00 0.00 C ATOM 374 C ASN A 27 7.061 3.132 6.313 1.00 0.00 C ATOM 375 O ASN A 27 6.191 2.261 6.337 1.00 0.00 O ATOM 376 CB ASN A 27 6.801 4.850 8.112 1.00 0.00 C ATOM 377 CG ASN A 27 5.604 4.295 8.861 1.00 0.00 C ATOM 378 OD1 ASN A 27 4.578 4.962 8.995 1.00 0.00 O ATOM 379 ND2 ASN A 27 5.731 3.068 9.353 1.00 0.00 N ATOM 0 H ASN A 27 4.624 4.506 6.635 1.00 0.00 H new ATOM 0 HA ASN A 27 7.442 5.224 6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.713 4.402 8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.871 5.923 8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.959 2.642 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.600 2.552 9.218 1.00 0.00 H new ATOM 386 N LYS A 28 8.335 2.873 6.036 1.00 0.00 N ATOM 387 CA LYS A 28 8.794 1.521 5.739 1.00 0.00 C ATOM 388 C LYS A 28 8.282 0.532 6.781 1.00 0.00 C ATOM 389 O LYS A 28 8.454 0.736 7.982 1.00 0.00 O ATOM 390 CB LYS A 28 10.323 1.480 5.688 1.00 0.00 C ATOM 391 CG LYS A 28 10.877 0.198 5.092 1.00 0.00 C ATOM 392 CD LYS A 28 11.109 -0.859 6.159 1.00 0.00 C ATOM 393 CE LYS A 28 11.663 -2.143 5.561 1.00 0.00 C ATOM 394 NZ LYS A 28 13.133 -2.060 5.334 1.00 0.00 N ATOM 0 H LYS A 28 9.068 3.582 6.011 1.00 0.00 H new ATOM 0 HA LYS A 28 8.396 1.234 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.682 2.327 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.715 1.601 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.184 -0.186 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.815 0.410 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.803 -0.476 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.171 -1.071 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.445 -2.978 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.161 -2.350 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.472 -2.954 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.339 -1.280 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.615 -1.888 6.239 1.00 0.00 H new ATOM 408 N GLY A 29 7.654 -0.542 6.313 1.00 0.00 N ATOM 409 CA GLY A 29 7.129 -1.548 7.217 1.00 0.00 C ATOM 410 C GLY A 29 5.627 -1.444 7.391 1.00 0.00 C ATOM 411 O GLY A 29 4.952 -2.444 7.636 1.00 0.00 O ATOM 0 H GLY A 29 7.499 -0.733 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.380 -2.539 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.612 -1.446 8.189 1.00 0.00 H new ATOM 415 N ASP A 30 5.101 -0.230 7.265 1.00 0.00 N ATOM 416 CA ASP A 30 3.668 0.001 7.411 1.00 0.00 C ATOM 417 C ASP A 30 2.868 -1.064 6.668 1.00 0.00 C ATOM 418 O ASP A 30 3.364 -1.687 5.729 1.00 0.00 O ATOM 419 CB ASP A 30 3.300 1.391 6.889 1.00 0.00 C ATOM 420 CG ASP A 30 3.001 1.391 5.403 1.00 0.00 C ATOM 421 OD1 ASP A 30 3.741 0.725 4.648 1.00 0.00 O ATOM 422 OD2 ASP A 30 2.026 2.056 4.994 1.00 0.00 O ATOM 0 H ASP A 30 5.645 0.609 7.062 1.00 0.00 H new ATOM 0 HA ASP A 30 3.420 -0.058 8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.430 1.761 7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.119 2.081 7.092 1.00 0.00 H new ATOM 427 N VAL A 31 1.626 -1.269 7.095 1.00 0.00 N ATOM 428 CA VAL A 31 0.756 -2.258 6.471 1.00 0.00 C ATOM 429 C VAL A 31 -0.517 -1.611 5.936 1.00 0.00 C ATOM 430 O VAL A 31 -1.518 -1.506 6.645 1.00 0.00 O ATOM 431 CB VAL A 31 0.374 -3.374 7.461 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.620 -4.334 6.827 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.616 -4.114 7.934 1.00 0.00 C ATOM 0 H VAL A 31 1.200 -0.763 7.871 1.00 0.00 H new ATOM 0 HA VAL A 31 1.315 -2.693 5.643 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.102 -2.918 8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.878 -5.115 7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.521 -3.790 6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.175 -4.786 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.328 -4.899 8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.123 -4.559 7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.289 -3.415 8.431 1.00 0.00 H new ATOM 443 N ILE A 32 -0.471 -1.180 4.680 1.00 0.00 N ATOM 444 CA ILE A 32 -1.621 -0.544 4.049 1.00 0.00 C ATOM 445 C ILE A 32 -2.606 -1.585 3.527 1.00 0.00 C ATOM 446 O ILE A 32 -2.228 -2.505 2.800 1.00 0.00 O ATOM 447 CB ILE A 32 -1.192 0.369 2.885 1.00 0.00 C ATOM 448 CG1 ILE A 32 -0.004 1.238 3.302 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.358 1.236 2.435 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.902 1.615 2.151 1.00 0.00 C ATOM 0 H ILE A 32 0.350 -1.260 4.080 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.106 0.061 4.815 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.884 -0.255 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.377 2.147 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.579 0.706 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.039 1.876 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.178 0.599 2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.693 1.855 3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.722 2.231 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.304 0.711 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.333 2.175 1.409 1.00 0.00 H new ATOM 462 N LEU A 33 -3.872 -1.433 3.900 1.00 0.00 N ATOM 463 CA LEU A 33 -4.914 -2.358 3.469 1.00 0.00 C ATOM 464 C LEU A 33 -5.427 -1.991 2.080 1.00 0.00 C ATOM 465 O LEU A 33 -5.979 -0.909 1.877 1.00 0.00 O ATOM 466 CB LEU A 33 -6.070 -2.358 4.470 1.00 0.00 C ATOM 467 CG LEU A 33 -5.965 -3.363 5.618 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.182 -2.767 6.777 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.349 -3.798 6.074 1.00 0.00 C ATOM 0 H LEU A 33 -4.202 -0.677 4.500 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.482 -3.358 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.155 -1.358 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.995 -2.553 3.927 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.431 -4.242 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.117 -3.496 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.178 -2.506 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.689 -1.871 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.255 -4.513 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.910 -2.928 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.876 -4.265 5.242 1.00 0.00 H new ATOM 481 N LEU A 34 -5.244 -2.899 1.128 1.00 0.00 N ATOM 482 CA LEU A 34 -5.691 -2.671 -0.242 1.00 0.00 C ATOM 483 C LEU A 34 -7.192 -2.401 -0.287 1.00 0.00 C ATOM 484 O LEU A 34 -8.001 -3.287 -0.015 1.00 0.00 O ATOM 485 CB LEU A 34 -5.353 -3.880 -1.117 1.00 0.00 C ATOM 486 CG LEU A 34 -3.872 -4.083 -1.437 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.671 -5.348 -2.256 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.314 -2.874 -2.174 1.00 0.00 C ATOM 0 H LEU A 34 -4.790 -3.800 1.279 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.171 -1.794 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.723 -4.777 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.898 -3.787 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.330 -4.193 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.611 -5.476 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.031 -6.208 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.227 -5.269 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.259 -3.037 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.861 -2.732 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.422 -1.986 -1.551 1.00 0.00 H new ATOM 500 N ARG A 35 -7.555 -1.171 -0.635 1.00 0.00 N ATOM 501 CA ARG A 35 -8.959 -0.783 -0.717 1.00 0.00 C ATOM 502 C ARG A 35 -9.477 -0.918 -2.146 1.00 0.00 C ATOM 503 O ARG A 35 -10.519 -1.529 -2.383 1.00 0.00 O ATOM 504 CB ARG A 35 -9.142 0.655 -0.230 1.00 0.00 C ATOM 505 CG ARG A 35 -10.558 1.180 -0.401 1.00 0.00 C ATOM 506 CD ARG A 35 -11.579 0.245 0.228 1.00 0.00 C ATOM 507 NE ARG A 35 -12.950 0.674 -0.036 1.00 0.00 N ATOM 508 CZ ARG A 35 -14.021 0.008 0.380 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.881 -1.112 1.077 1.00 0.00 N ATOM 510 NH2 ARG A 35 -15.236 0.462 0.101 1.00 0.00 N ATOM 0 H ARG A 35 -6.897 -0.426 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.533 -1.452 -0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.868 0.711 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.455 1.304 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.638 2.167 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.777 1.299 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.434 -0.763 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.414 0.200 1.305 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.093 1.532 -0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.949 -1.464 1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.706 -1.621 1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.348 1.323 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.058 -0.050 0.421 1.00 0.00 H new ATOM 524 N ARG A 36 -8.743 -0.343 -3.093 1.00 0.00 N ATOM 525 CA ARG A 36 -9.129 -0.398 -4.497 1.00 0.00 C ATOM 526 C ARG A 36 -7.899 -0.466 -5.398 1.00 0.00 C ATOM 527 O ARG A 36 -7.044 0.418 -5.362 1.00 0.00 O ATOM 528 CB ARG A 36 -9.976 0.823 -4.863 1.00 0.00 C ATOM 529 CG ARG A 36 -10.606 0.736 -6.244 1.00 0.00 C ATOM 530 CD ARG A 36 -10.960 2.113 -6.782 1.00 0.00 C ATOM 531 NE ARG A 36 -12.235 2.595 -6.257 1.00 0.00 N ATOM 532 CZ ARG A 36 -12.800 3.737 -6.633 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.207 4.509 -7.532 1.00 0.00 N ATOM 534 NH2 ARG A 36 -13.962 4.107 -6.109 1.00 0.00 N ATOM 0 H ARG A 36 -7.878 0.166 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.720 -1.301 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.765 0.943 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.352 1.715 -4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.917 0.243 -6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.504 0.120 -6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.171 2.818 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.007 2.076 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.718 2.023 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.314 4.227 -7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.643 5.385 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.421 3.514 -5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.396 4.984 -6.398 1.00 0.00 H new ATOM 548 N GLN A 37 -7.818 -1.521 -6.202 1.00 0.00 N ATOM 549 CA GLN A 37 -6.692 -1.704 -7.110 1.00 0.00 C ATOM 550 C GLN A 37 -6.868 -0.865 -8.371 1.00 0.00 C ATOM 551 O GLN A 37 -7.750 -1.131 -9.189 1.00 0.00 O ATOM 552 CB GLN A 37 -6.544 -3.180 -7.482 1.00 0.00 C ATOM 553 CG GLN A 37 -5.200 -3.519 -8.106 1.00 0.00 C ATOM 554 CD GLN A 37 -5.276 -4.706 -9.045 1.00 0.00 C ATOM 555 OE1 GLN A 37 -6.246 -5.465 -9.029 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.249 -4.875 -9.871 1.00 0.00 N ATOM 0 H GLN A 37 -8.518 -2.262 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.788 -1.373 -6.599 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.683 -3.787 -6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.337 -3.452 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.828 -2.652 -8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.480 -3.731 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.466 -4.222 -9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.244 -5.658 -10.525 1.00 0.00 H new ATOM 565 N LEU A 38 -6.024 0.149 -8.524 1.00 0.00 N ATOM 566 CA LEU A 38 -6.086 1.028 -9.686 1.00 0.00 C ATOM 567 C LEU A 38 -5.386 0.396 -10.885 1.00 0.00 C ATOM 568 O LEU A 38 -5.936 0.352 -11.985 1.00 0.00 O ATOM 569 CB LEU A 38 -5.447 2.380 -9.363 1.00 0.00 C ATOM 570 CG LEU A 38 -6.009 3.114 -8.145 1.00 0.00 C ATOM 571 CD1 LEU A 38 -4.963 4.045 -7.552 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.263 3.890 -8.522 1.00 0.00 C ATOM 0 H LEU A 38 -5.288 0.383 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.135 1.180 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.379 2.227 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.554 3.027 -10.234 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.276 2.374 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.382 4.558 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.093 3.465 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.664 4.780 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.649 4.406 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.021 4.620 -9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.018 3.200 -8.899 1.00 0.00 H new ATOM 584 N ASP A 39 -4.171 -0.093 -10.664 1.00 0.00 N ATOM 585 CA ASP A 39 -3.396 -0.726 -11.725 1.00 0.00 C ATOM 586 C ASP A 39 -2.520 -1.843 -11.166 1.00 0.00 C ATOM 587 O ASP A 39 -2.231 -1.877 -9.970 1.00 0.00 O ATOM 588 CB ASP A 39 -2.529 0.310 -12.440 1.00 0.00 C ATOM 589 CG ASP A 39 -2.222 -0.081 -13.873 1.00 0.00 C ATOM 590 OD1 ASP A 39 -3.176 -0.227 -14.665 1.00 0.00 O ATOM 591 OD2 ASP A 39 -1.028 -0.239 -14.201 1.00 0.00 O ATOM 0 H ASP A 39 -3.701 -0.063 -9.759 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.094 -1.160 -12.441 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.038 1.274 -12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.595 0.437 -11.893 1.00 0.00 H new ATOM 596 N GLU A 40 -2.103 -2.754 -12.039 1.00 0.00 N ATOM 597 CA GLU A 40 -1.262 -3.873 -11.631 1.00 0.00 C ATOM 598 C GLU A 40 -0.022 -3.380 -10.891 1.00 0.00 C ATOM 599 O GLU A 40 0.666 -4.154 -10.226 1.00 0.00 O ATOM 600 CB GLU A 40 -0.846 -4.699 -12.850 1.00 0.00 C ATOM 601 CG GLU A 40 -0.649 -6.175 -12.547 1.00 0.00 C ATOM 602 CD GLU A 40 0.384 -6.823 -13.449 1.00 0.00 C ATOM 603 OE1 GLU A 40 1.424 -6.185 -13.715 1.00 0.00 O ATOM 604 OE2 GLU A 40 0.152 -7.968 -13.889 1.00 0.00 O ATOM 0 H GLU A 40 -2.333 -2.739 -13.033 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.842 -4.502 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.605 -4.594 -13.625 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.081 -4.293 -13.254 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.342 -6.291 -11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.600 -6.695 -12.658 1.00 0.00 H new ATOM 611 N ASN A 41 0.258 -2.086 -11.013 1.00 0.00 N ATOM 612 CA ASN A 41 1.415 -1.489 -10.357 1.00 0.00 C ATOM 613 C ASN A 41 0.980 -0.508 -9.273 1.00 0.00 C ATOM 614 O ASN A 41 1.680 -0.315 -8.279 1.00 0.00 O ATOM 615 CB ASN A 41 2.297 -0.774 -11.383 1.00 0.00 C ATOM 616 CG ASN A 41 2.717 -1.686 -12.520 1.00 0.00 C ATOM 617 OD1 ASN A 41 1.745 -2.140 -13.304 1.00 0.00 O flip ATOM 618 ND2 ASN A 41 3.900 -1.979 -12.691 1.00 0.00 N flip ATOM 0 H ASN A 41 -0.301 -1.431 -11.560 1.00 0.00 H new ATOM 0 HA ASN A 41 1.989 -2.289 -9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.758 0.082 -11.788 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.186 -0.385 -10.886 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.613 -1.607 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.167 -2.594 -13.460 1.00 0.00 H new ATOM 625 N TRP A 42 -0.179 0.109 -9.472 1.00 0.00 N ATOM 626 CA TRP A 42 -0.709 1.070 -8.511 1.00 0.00 C ATOM 627 C TRP A 42 -1.782 0.430 -7.637 1.00 0.00 C ATOM 628 O TRP A 42 -2.552 -0.412 -8.099 1.00 0.00 O ATOM 629 CB TRP A 42 -1.284 2.286 -9.239 1.00 0.00 C ATOM 630 CG TRP A 42 -0.236 3.142 -9.883 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.349 2.944 -11.101 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.351 4.331 -9.343 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.265 3.937 -11.351 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.285 4.801 -10.288 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.179 5.044 -8.154 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.041 5.951 -10.077 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.931 6.185 -7.947 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.852 6.630 -8.904 1.00 0.00 C ATOM 0 H TRP A 42 -0.770 -0.039 -10.290 1.00 0.00 H new ATOM 0 HA TRP A 42 0.110 1.394 -7.869 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.985 1.946 -10.002 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.852 2.890 -8.531 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.124 2.126 -11.770 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.837 4.018 -12.192 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.529 4.710 -7.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.752 6.295 -10.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.806 6.743 -7.031 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.424 7.526 -8.712 1.00 0.00 H new ATOM 649 N TYR A 43 -1.828 0.836 -6.372 1.00 0.00 N ATOM 650 CA TYR A 43 -2.806 0.301 -5.433 1.00 0.00 C ATOM 651 C TYR A 43 -3.300 1.387 -4.482 1.00 0.00 C ATOM 652 O TYR A 43 -2.505 2.121 -3.896 1.00 0.00 O ATOM 653 CB TYR A 43 -2.199 -0.854 -4.635 1.00 0.00 C ATOM 654 CG TYR A 43 -1.678 -1.980 -5.500 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.468 -2.540 -6.496 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.395 -2.483 -5.321 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.996 -3.569 -7.288 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.086 -3.511 -6.109 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.718 -4.051 -7.090 1.00 0.00 C ATOM 660 OH TYR A 43 -0.244 -5.075 -7.878 1.00 0.00 O ATOM 0 H TYR A 43 -1.199 1.534 -5.974 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.657 -0.069 -6.005 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.384 -0.471 -4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.952 -1.249 -3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.468 -2.165 -6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.237 -2.063 -4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.623 -3.994 -8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.086 -3.889 -5.957 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.145 -4.759 -8.800 1.00 0.00 H new ATOM 670 N GLN A 44 -4.617 1.481 -4.335 1.00 0.00 N ATOM 671 CA GLN A 44 -5.218 2.477 -3.456 1.00 0.00 C ATOM 672 C GLN A 44 -5.629 1.853 -2.127 1.00 0.00 C ATOM 673 O GLN A 44 -6.464 0.950 -2.085 1.00 0.00 O ATOM 674 CB GLN A 44 -6.432 3.117 -4.130 1.00 0.00 C ATOM 675 CG GLN A 44 -6.960 4.340 -3.397 1.00 0.00 C ATOM 676 CD GLN A 44 -8.305 4.802 -3.925 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.977 4.079 -4.661 1.00 0.00 O ATOM 678 NE2 GLN A 44 -8.705 6.011 -3.550 1.00 0.00 N ATOM 0 H GLN A 44 -5.288 0.880 -4.813 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.473 3.248 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.164 3.401 -5.148 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.228 2.376 -4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.050 4.112 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.239 5.153 -3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.116 6.576 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.602 6.375 -3.873 1.00 0.00 H new ATOM 687 N GLY A 45 -5.036 2.340 -1.040 1.00 0.00 N ATOM 688 CA GLY A 45 -5.353 1.817 0.275 1.00 0.00 C ATOM 689 C GLY A 45 -5.628 2.914 1.285 1.00 0.00 C ATOM 690 O GLY A 45 -5.822 4.072 0.914 1.00 0.00 O ATOM 0 H GLY A 45 -4.342 3.087 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.225 1.167 0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.525 1.202 0.627 1.00 0.00 H new ATOM 694 N GLU A 46 -5.645 2.550 2.563 1.00 0.00 N ATOM 695 CA GLU A 46 -5.901 3.513 3.628 1.00 0.00 C ATOM 696 C GLU A 46 -5.114 3.155 4.885 1.00 0.00 C ATOM 697 O GLU A 46 -5.152 2.016 5.351 1.00 0.00 O ATOM 698 CB GLU A 46 -7.396 3.568 3.947 1.00 0.00 C ATOM 699 CG GLU A 46 -7.714 4.282 5.251 1.00 0.00 C ATOM 700 CD GLU A 46 -9.126 4.834 5.285 1.00 0.00 C ATOM 701 OE1 GLU A 46 -10.078 4.035 5.168 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.278 6.065 5.428 1.00 0.00 O ATOM 0 H GLU A 46 -5.485 1.596 2.886 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.574 4.494 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.915 4.071 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.787 2.551 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.578 3.590 6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.006 5.098 5.396 1.00 0.00 H new ATOM 709 N ILE A 47 -4.401 4.136 5.429 1.00 0.00 N ATOM 710 CA ILE A 47 -3.606 3.926 6.632 1.00 0.00 C ATOM 711 C ILE A 47 -3.857 5.026 7.657 1.00 0.00 C ATOM 712 O ILE A 47 -3.740 6.212 7.351 1.00 0.00 O ATOM 713 CB ILE A 47 -2.100 3.874 6.309 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.322 3.300 7.495 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.587 5.262 5.954 1.00 0.00 C ATOM 716 CD1 ILE A 47 -0.066 2.559 7.092 1.00 0.00 C ATOM 0 H ILE A 47 -4.358 5.084 5.055 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.914 2.967 7.050 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.949 3.221 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.054 4.112 8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.971 2.623 8.051 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.522 5.210 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.124 5.637 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.747 5.935 6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.434 2.180 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.329 1.725 6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.602 3.237 6.562 1.00 0.00 H new ATOM 728 N ASN A 48 -4.203 4.624 8.876 1.00 0.00 N ATOM 729 CA ASN A 48 -4.470 5.576 9.947 1.00 0.00 C ATOM 730 C ASN A 48 -5.502 6.611 9.511 1.00 0.00 C ATOM 731 O ASN A 48 -5.333 7.808 9.742 1.00 0.00 O ATOM 732 CB ASN A 48 -3.177 6.276 10.370 1.00 0.00 C ATOM 733 CG ASN A 48 -2.351 5.436 11.325 1.00 0.00 C ATOM 734 OD1 ASN A 48 -2.726 5.241 12.482 1.00 0.00 O ATOM 735 ND2 ASN A 48 -1.219 4.935 10.845 1.00 0.00 N ATOM 0 H ASN A 48 -4.305 3.646 9.146 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.872 5.024 10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.584 6.504 9.484 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.420 7.227 10.844 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.621 4.363 11.441 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.947 5.122 9.880 1.00 0.00 H new ATOM 742 N GLY A 49 -6.573 6.141 8.878 1.00 0.00 N ATOM 743 CA GLY A 49 -7.617 7.038 8.419 1.00 0.00 C ATOM 744 C GLY A 49 -7.129 7.998 7.352 1.00 0.00 C ATOM 745 O GLY A 49 -7.624 9.121 7.244 1.00 0.00 O ATOM 0 H GLY A 49 -6.736 5.155 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.447 6.452 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.002 7.606 9.266 1.00 0.00 H new ATOM 749 N VAL A 50 -6.155 7.558 6.563 1.00 0.00 N ATOM 750 CA VAL A 50 -5.599 8.386 5.500 1.00 0.00 C ATOM 751 C VAL A 50 -5.630 7.656 4.162 1.00 0.00 C ATOM 752 O VAL A 50 -4.903 6.684 3.956 1.00 0.00 O ATOM 753 CB VAL A 50 -4.149 8.802 5.812 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.581 9.647 4.681 1.00 0.00 C ATOM 755 CG2 VAL A 50 -4.084 9.552 7.134 1.00 0.00 C ATOM 0 H VAL A 50 -5.734 6.632 6.640 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.220 9.280 5.438 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.541 7.902 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.556 9.932 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.592 9.071 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.187 10.544 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.053 9.839 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.704 10.446 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.448 8.909 7.935 1.00 0.00 H new ATOM 765 N SER A 51 -6.477 8.131 3.254 1.00 0.00 N ATOM 766 CA SER A 51 -6.605 7.521 1.935 1.00 0.00 C ATOM 767 C SER A 51 -5.588 8.111 0.963 1.00 0.00 C ATOM 768 O SER A 51 -5.323 9.312 0.977 1.00 0.00 O ATOM 769 CB SER A 51 -8.022 7.721 1.393 1.00 0.00 C ATOM 770 OG SER A 51 -8.969 7.007 2.168 1.00 0.00 O ATOM 0 H SER A 51 -7.085 8.936 3.407 1.00 0.00 H new ATOM 0 HA SER A 51 -6.409 6.453 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.270 8.782 1.397 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.069 7.387 0.357 1.00 0.00 H new ATOM 0 HG SER A 51 -9.867 7.152 1.803 1.00 0.00 H new ATOM 776 N GLY A 52 -5.022 7.255 0.117 1.00 0.00 N ATOM 777 CA GLY A 52 -4.040 7.709 -0.851 1.00 0.00 C ATOM 778 C GLY A 52 -3.661 6.627 -1.843 1.00 0.00 C ATOM 779 O GLY A 52 -4.152 5.501 -1.760 1.00 0.00 O ATOM 0 H GLY A 52 -5.226 6.256 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.437 8.569 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.146 8.046 -0.326 1.00 0.00 H new ATOM 783 N ILE A 53 -2.788 6.969 -2.784 1.00 0.00 N ATOM 784 CA ILE A 53 -2.344 6.018 -3.796 1.00 0.00 C ATOM 785 C ILE A 53 -0.839 5.787 -3.711 1.00 0.00 C ATOM 786 O ILE A 53 -0.086 6.674 -3.309 1.00 0.00 O ATOM 787 CB ILE A 53 -2.700 6.500 -5.215 1.00 0.00 C ATOM 788 CG1 ILE A 53 -1.999 7.826 -5.517 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.207 6.645 -5.363 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.216 8.315 -6.932 1.00 0.00 C ATOM 0 H ILE A 53 -2.374 7.897 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.864 5.081 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.355 5.756 -5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.357 8.584 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.930 7.711 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.442 6.986 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.684 5.681 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.576 7.371 -4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.691 9.259 -7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.832 7.576 -7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.282 8.463 -7.107 1.00 0.00 H new ATOM 802 N PHE A 54 -0.408 4.590 -4.094 1.00 0.00 N ATOM 803 CA PHE A 54 1.008 4.242 -4.063 1.00 0.00 C ATOM 804 C PHE A 54 1.323 3.151 -5.082 1.00 0.00 C ATOM 805 O PHE A 54 0.475 2.329 -5.431 1.00 0.00 O ATOM 806 CB PHE A 54 1.410 3.778 -2.661 1.00 0.00 C ATOM 807 CG PHE A 54 0.456 2.785 -2.062 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.626 3.212 -1.308 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.640 1.425 -2.253 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.505 2.300 -0.755 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.236 0.509 -1.703 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.311 0.947 -0.954 1.00 0.00 C ATOM 0 H PHE A 54 -1.018 3.845 -4.429 1.00 0.00 H new ATOM 0 HA PHE A 54 1.581 5.132 -4.322 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.404 3.334 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.478 4.646 -2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.784 4.269 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.478 1.077 -2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.343 2.645 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.080 -0.548 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.998 0.233 -0.525 1.00 0.00 H new ATOM 822 N PRO A 55 2.571 3.142 -5.572 1.00 0.00 N ATOM 823 CA PRO A 55 3.027 2.158 -6.558 1.00 0.00 C ATOM 824 C PRO A 55 3.144 0.757 -5.967 1.00 0.00 C ATOM 825 O PRO A 55 2.790 0.529 -4.811 1.00 0.00 O ATOM 826 CB PRO A 55 4.406 2.681 -6.970 1.00 0.00 C ATOM 827 CG PRO A 55 4.870 3.484 -5.804 1.00 0.00 C ATOM 828 CD PRO A 55 3.634 4.092 -5.201 1.00 0.00 C ATOM 0 HA PRO A 55 2.328 2.059 -7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.092 1.862 -7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.345 3.291 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.389 2.856 -5.080 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.572 4.257 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.723 4.194 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.440 5.088 -5.600 1.00 0.00 H new ATOM 836 N ALA A 56 3.644 -0.178 -6.768 1.00 0.00 N ATOM 837 CA ALA A 56 3.810 -1.556 -6.324 1.00 0.00 C ATOM 838 C ALA A 56 5.276 -1.870 -6.042 1.00 0.00 C ATOM 839 O ALA A 56 5.597 -2.896 -5.443 1.00 0.00 O ATOM 840 CB ALA A 56 3.253 -2.517 -7.363 1.00 0.00 C ATOM 0 H ALA A 56 3.941 -0.006 -7.728 1.00 0.00 H new ATOM 0 HA ALA A 56 3.254 -1.681 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.384 -3.542 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.192 -2.317 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.783 -2.381 -8.306 1.00 0.00 H new ATOM 846 N SER A 57 6.161 -0.980 -6.480 1.00 0.00 N ATOM 847 CA SER A 57 7.594 -1.164 -6.279 1.00 0.00 C ATOM 848 C SER A 57 8.020 -0.650 -4.907 1.00 0.00 C ATOM 849 O SER A 57 9.052 -1.058 -4.373 1.00 0.00 O ATOM 850 CB SER A 57 8.381 -0.442 -7.374 1.00 0.00 C ATOM 851 OG SER A 57 9.613 -1.093 -7.630 1.00 0.00 O ATOM 0 H SER A 57 5.911 -0.125 -6.976 1.00 0.00 H new ATOM 0 HA SER A 57 7.809 -2.231 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.789 -0.406 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.567 0.589 -7.073 1.00 0.00 H new ATOM 0 HG SER A 57 10.096 -0.613 -8.335 1.00 0.00 H new ATOM 857 N SER A 58 7.219 0.247 -4.343 1.00 0.00 N ATOM 858 CA SER A 58 7.514 0.821 -3.035 1.00 0.00 C ATOM 859 C SER A 58 6.978 -0.069 -1.918 1.00 0.00 C ATOM 860 O SER A 58 7.403 0.035 -0.767 1.00 0.00 O ATOM 861 CB SER A 58 6.911 2.222 -2.921 1.00 0.00 C ATOM 862 OG SER A 58 5.494 2.170 -2.935 1.00 0.00 O ATOM 0 H SER A 58 6.360 0.593 -4.771 1.00 0.00 H new ATOM 0 HA SER A 58 8.597 0.891 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.252 2.694 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.264 2.841 -3.746 1.00 0.00 H new ATOM 0 HG SER A 58 5.133 3.078 -2.859 1.00 0.00 H new ATOM 868 N VAL A 59 6.041 -0.945 -2.266 1.00 0.00 N ATOM 869 CA VAL A 59 5.446 -1.855 -1.294 1.00 0.00 C ATOM 870 C VAL A 59 5.502 -3.297 -1.786 1.00 0.00 C ATOM 871 O VAL A 59 5.728 -3.551 -2.968 1.00 0.00 O ATOM 872 CB VAL A 59 3.981 -1.481 -0.999 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.898 -0.092 -0.384 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.145 -1.562 -2.268 1.00 0.00 C ATOM 0 H VAL A 59 5.677 -1.044 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 59 6.028 -1.764 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 59 3.579 -2.195 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.856 0.155 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.462 -0.073 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.317 0.638 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.113 -1.295 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.544 -0.872 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.179 -2.578 -2.662 1.00 0.00 H new ATOM 884 N GLU A 60 5.294 -4.237 -0.869 1.00 0.00 N ATOM 885 CA GLU A 60 5.321 -5.654 -1.210 1.00 0.00 C ATOM 886 C GLU A 60 4.018 -6.337 -0.803 1.00 0.00 C ATOM 887 O GLU A 60 3.493 -6.100 0.285 1.00 0.00 O ATOM 888 CB GLU A 60 6.505 -6.343 -0.528 1.00 0.00 C ATOM 889 CG GLU A 60 7.818 -6.177 -1.274 1.00 0.00 C ATOM 890 CD GLU A 60 8.838 -7.235 -0.901 1.00 0.00 C ATOM 891 OE1 GLU A 60 8.525 -8.083 -0.039 1.00 0.00 O ATOM 892 OE2 GLU A 60 9.949 -7.216 -1.471 1.00 0.00 O ATOM 0 H GLU A 60 5.105 -4.043 0.114 1.00 0.00 H new ATOM 0 HA GLU A 60 5.433 -5.739 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.616 -5.943 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.287 -7.406 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.630 -6.221 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.230 -5.190 -1.062 1.00 0.00 H new ATOM 899 N VAL A 61 3.501 -7.185 -1.687 1.00 0.00 N ATOM 900 CA VAL A 61 2.260 -7.903 -1.421 1.00 0.00 C ATOM 901 C VAL A 61 2.512 -9.135 -0.559 1.00 0.00 C ATOM 902 O VAL A 61 1.650 -10.006 -0.436 1.00 0.00 O ATOM 903 CB VAL A 61 1.571 -8.337 -2.728 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.106 -8.661 -2.479 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.714 -7.256 -3.789 1.00 0.00 C ATOM 0 H VAL A 61 3.922 -7.391 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 61 1.605 -7.216 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 61 2.060 -9.240 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.363 -8.966 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.031 -9.472 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.401 -7.778 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.222 -7.579 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.252 -6.335 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.771 -7.079 -3.988 1.00 0.00 H new ATOM 915 N ILE A 62 3.697 -9.201 0.037 1.00 0.00 N ATOM 916 CA ILE A 62 4.062 -10.326 0.890 1.00 0.00 C ATOM 917 C ILE A 62 3.287 -10.294 2.203 1.00 0.00 C ATOM 918 O ILE A 62 3.237 -11.286 2.930 1.00 0.00 O ATOM 919 CB ILE A 62 5.571 -10.334 1.196 1.00 0.00 C ATOM 920 CG1 ILE A 62 5.946 -9.123 2.054 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.374 -10.344 -0.096 1.00 0.00 C ATOM 922 CD1 ILE A 62 7.375 -9.152 2.548 1.00 0.00 C ATOM 0 H ILE A 62 4.421 -8.489 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 62 3.807 -11.233 0.343 1.00 0.00 H new ATOM 0 HB ILE A 62 5.809 -11.239 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.789 -8.214 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.275 -9.073 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.439 -10.350 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.124 -11.235 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.135 -9.455 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.570 -8.264 3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.532 -10.043 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.054 -9.170 1.696 1.00 0.00 H new ATOM 934 N SER A 63 2.684 -9.148 2.500 1.00 0.00 N ATOM 935 CA SER A 63 1.913 -8.985 3.727 1.00 0.00 C ATOM 936 C SER A 63 0.835 -10.060 3.838 1.00 0.00 C ATOM 937 O SER A 63 -0.036 -10.173 2.976 1.00 0.00 O ATOM 938 CB SER A 63 1.271 -7.597 3.771 1.00 0.00 C ATOM 939 OG SER A 63 2.194 -6.623 4.227 1.00 0.00 O ATOM 0 H SER A 63 2.714 -8.318 1.908 1.00 0.00 H new ATOM 0 HA SER A 63 2.594 -9.089 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.913 -7.327 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.402 -7.615 4.429 1.00 0.00 H new ATOM 0 HG SER A 63 1.707 -5.835 4.548 1.00 0.00 H new ATOM 945 N GLY A 64 0.901 -10.847 4.907 1.00 0.00 N ATOM 946 CA GLY A 64 -0.073 -11.903 5.112 1.00 0.00 C ATOM 947 C GLY A 64 0.573 -13.263 5.288 1.00 0.00 C ATOM 948 O GLY A 64 1.609 -13.563 4.695 1.00 0.00 O ATOM 0 H GLY A 64 1.612 -10.772 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.673 -11.673 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.754 -11.935 4.261 1.00 0.00 H new ATOM 952 N PRO A 65 -0.044 -14.112 6.124 1.00 0.00 N ATOM 953 CA PRO A 65 0.461 -15.460 6.397 1.00 0.00 C ATOM 954 C PRO A 65 0.320 -16.387 5.194 1.00 0.00 C ATOM 955 O PRO A 65 1.278 -17.046 4.790 1.00 0.00 O ATOM 956 CB PRO A 65 -0.422 -15.943 7.550 1.00 0.00 C ATOM 957 CG PRO A 65 -1.683 -15.162 7.414 1.00 0.00 C ATOM 958 CD PRO A 65 -1.282 -13.820 6.865 1.00 0.00 C ATOM 0 HA PRO A 65 1.526 -15.457 6.630 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.611 -17.014 7.482 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.053 -15.763 8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.383 -15.664 6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.182 -15.056 8.377 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.052 -13.406 6.214 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.113 -13.094 7.661 1.00 0.00 H new ATOM 966 N SER A 66 -0.881 -16.432 4.625 1.00 0.00 N ATOM 967 CA SER A 66 -1.148 -17.281 3.470 1.00 0.00 C ATOM 968 C SER A 66 -0.239 -16.911 2.302 1.00 0.00 C ATOM 969 O SER A 66 0.488 -17.754 1.776 1.00 0.00 O ATOM 970 CB SER A 66 -2.614 -17.158 3.049 1.00 0.00 C ATOM 971 OG SER A 66 -3.460 -17.869 3.935 1.00 0.00 O ATOM 0 H SER A 66 -1.684 -15.891 4.945 1.00 0.00 H new ATOM 0 HA SER A 66 -0.944 -18.313 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.903 -16.107 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.738 -17.541 2.036 1.00 0.00 H new ATOM 0 HG SER A 66 -4.391 -17.773 3.645 1.00 0.00 H new ATOM 977 N SER A 67 -0.285 -15.644 1.902 1.00 0.00 N ATOM 978 CA SER A 67 0.531 -15.162 0.795 1.00 0.00 C ATOM 979 C SER A 67 1.955 -14.867 1.257 1.00 0.00 C ATOM 980 O SER A 67 2.165 -14.226 2.286 1.00 0.00 O ATOM 981 CB SER A 67 -0.091 -13.904 0.185 1.00 0.00 C ATOM 982 OG SER A 67 0.453 -13.635 -1.096 1.00 0.00 O ATOM 0 H SER A 67 -0.879 -14.933 2.329 1.00 0.00 H new ATOM 0 HA SER A 67 0.569 -15.944 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.171 -14.030 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.083 -13.053 0.843 1.00 0.00 H new ATOM 0 HG SER A 67 0.038 -12.827 -1.465 1.00 0.00 H new ATOM 988 N GLY A 68 2.930 -15.339 0.487 1.00 0.00 N ATOM 989 CA GLY A 68 4.322 -15.117 0.833 1.00 0.00 C ATOM 990 C GLY A 68 5.128 -16.400 0.847 1.00 0.00 C ATOM 991 O GLY A 68 5.567 -16.877 -0.199 1.00 0.00 O ATOM 0 H GLY A 68 2.781 -15.871 -0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.764 -14.422 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.378 -14.645 1.814 1.00 0.00 H new TER 995 GLY A 68