USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot 180:sc= -0.867! USER MOD Set 1.2: A 44 THR OG1 : rot -99:sc= -1.52! USER MOD Set 2.1: A 16 GLN : amide:sc= -7.2! C(o=-7.3!,f=-8.4!) USER MOD Set 2.2: A 17 SER OG : rot 180:sc= -0.0817 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0608 (180deg=-0.32) USER MOD Single : A 9 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.4) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.823 X(o=-0.82,f=-0.5) USER MOD Single : A 19 CYS SG : rot 180:sc= 0.161 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 58:sc= 1.08 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -9.7! C(o=-11!,f=-9.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.089) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc=-0.00819 X(o=-0.0082,f=-0.0036) USER MOD Single : A 62 HIS : no HD1:sc= -8.75! C(o=-8.8!,f=-12!) USER MOD Single : A 63 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.055) USER MOD Single : A 64 HIS : no HE2:sc= -0.901 K(o=-0.9,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.961 -7.903 65.436 1.00 1.00 N ATOM 2 CA MET A 1 33.813 -6.437 65.217 1.00 1.00 C ATOM 3 C MET A 1 33.217 -6.189 63.835 1.00 1.00 C ATOM 4 O MET A 1 33.219 -7.074 62.980 1.00 1.00 O ATOM 5 CB MET A 1 35.185 -5.766 65.321 1.00 1.00 C ATOM 6 CG MET A 1 35.664 -5.806 66.774 1.00 1.00 C ATOM 7 SD MET A 1 35.544 -4.149 67.493 1.00 1.00 S ATOM 8 CE MET A 1 36.287 -4.542 69.095 1.00 1.00 C ATOM 0 H1 MET A 1 33.387 -8.192 66.254 1.00 1.00 H new ATOM 0 H2 MET A 1 33.640 -8.415 64.590 1.00 1.00 H new ATOM 0 H3 MET A 1 34.960 -8.128 65.618 1.00 1.00 H new ATOM 0 HA MET A 1 33.150 -6.017 65.974 1.00 1.00 H new ATOM 0 HB2 MET A 1 35.901 -6.276 64.677 1.00 1.00 H new ATOM 0 HB3 MET A 1 35.124 -4.734 64.975 1.00 1.00 H new ATOM 0 HG2 MET A 1 35.060 -6.508 67.348 1.00 1.00 H new ATOM 0 HG3 MET A 1 36.694 -6.160 66.819 1.00 1.00 H new ATOM 0 HE1 MET A 1 36.314 -3.645 69.713 1.00 1.00 H new ATOM 0 HE2 MET A 1 35.693 -5.308 69.593 1.00 1.00 H new ATOM 0 HE3 MET A 1 37.302 -4.910 68.945 1.00 1.00 H new ATOM 20 N GLU A 2 32.707 -4.979 63.625 1.00 1.00 N ATOM 21 CA GLU A 2 32.109 -4.627 62.342 1.00 1.00 C ATOM 22 C GLU A 2 32.524 -3.219 61.928 1.00 1.00 C ATOM 23 O GLU A 2 31.868 -2.239 62.280 1.00 1.00 O ATOM 24 CB GLU A 2 30.585 -4.704 62.438 1.00 1.00 C ATOM 25 CG GLU A 2 30.090 -3.738 63.516 1.00 1.00 C ATOM 26 CD GLU A 2 29.061 -4.429 64.403 1.00 1.00 C ATOM 27 OE1 GLU A 2 29.466 -5.216 65.243 1.00 1.00 O ATOM 28 OE2 GLU A 2 27.884 -4.161 64.231 1.00 1.00 O ATOM 0 H GLU A 2 32.696 -4.232 64.320 1.00 1.00 H new ATOM 0 HA GLU A 2 32.461 -5.334 61.591 1.00 1.00 H new ATOM 0 HB2 GLU A 2 30.137 -4.453 61.477 1.00 1.00 H new ATOM 0 HB3 GLU A 2 30.276 -5.722 62.678 1.00 1.00 H new ATOM 0 HG2 GLU A 2 30.929 -3.393 64.120 1.00 1.00 H new ATOM 0 HG3 GLU A 2 29.648 -2.857 63.051 1.00 1.00 H new ATOM 35 N GLU A 3 33.617 -3.126 61.177 1.00 1.00 N ATOM 36 CA GLU A 3 34.110 -1.832 60.720 1.00 1.00 C ATOM 37 C GLU A 3 34.759 -1.962 59.345 1.00 1.00 C ATOM 38 O GLU A 3 35.899 -2.412 59.226 1.00 1.00 O ATOM 39 CB GLU A 3 35.130 -1.279 61.717 1.00 1.00 C ATOM 40 CG GLU A 3 34.515 -0.105 62.479 1.00 1.00 C ATOM 41 CD GLU A 3 35.493 0.405 63.532 1.00 1.00 C ATOM 42 OE1 GLU A 3 36.579 -0.145 63.617 1.00 1.00 O ATOM 43 OE2 GLU A 3 35.142 1.336 64.237 1.00 1.00 O ATOM 0 H GLU A 3 34.174 -3.925 60.874 1.00 1.00 H new ATOM 0 HA GLU A 3 33.265 -1.147 60.648 1.00 1.00 H new ATOM 0 HB2 GLU A 3 35.433 -2.060 62.414 1.00 1.00 H new ATOM 0 HB3 GLU A 3 36.028 -0.955 61.192 1.00 1.00 H new ATOM 0 HG2 GLU A 3 34.264 0.698 61.785 1.00 1.00 H new ATOM 0 HG3 GLU A 3 33.586 -0.417 62.955 1.00 1.00 H new ATOM 50 N GLY A 4 34.026 -1.565 58.310 1.00 1.00 N ATOM 51 CA GLY A 4 34.540 -1.640 56.948 1.00 1.00 C ATOM 52 C GLY A 4 33.447 -2.071 55.976 1.00 1.00 C ATOM 53 O GLY A 4 33.235 -1.435 54.944 1.00 1.00 O ATOM 0 H GLY A 4 33.080 -1.190 58.387 1.00 1.00 H new ATOM 0 HA2 GLY A 4 34.935 -0.669 56.650 1.00 1.00 H new ATOM 0 HA3 GLY A 4 35.369 -2.347 56.906 1.00 1.00 H new ATOM 57 N GLY A 5 32.755 -3.155 56.314 1.00 1.00 N ATOM 58 CA GLY A 5 31.686 -3.661 55.462 1.00 1.00 C ATOM 59 C GLY A 5 32.240 -4.576 54.376 1.00 1.00 C ATOM 60 O GLY A 5 33.441 -4.569 54.098 1.00 1.00 O ATOM 0 H GLY A 5 32.914 -3.695 57.164 1.00 1.00 H new ATOM 0 HA2 GLY A 5 30.961 -4.206 56.067 1.00 1.00 H new ATOM 0 HA3 GLY A 5 31.155 -2.826 55.004 1.00 1.00 H new ATOM 64 N ASP A 6 31.360 -5.361 53.764 1.00 1.00 N ATOM 65 CA ASP A 6 31.774 -6.279 52.708 1.00 1.00 C ATOM 66 C ASP A 6 30.765 -6.270 51.565 1.00 1.00 C ATOM 67 O ASP A 6 30.181 -7.301 51.232 1.00 1.00 O ATOM 68 CB ASP A 6 31.902 -7.697 53.267 1.00 1.00 C ATOM 69 CG ASP A 6 33.194 -7.827 54.068 1.00 1.00 C ATOM 70 OD1 ASP A 6 33.573 -6.857 54.704 1.00 1.00 O ATOM 71 OD2 ASP A 6 33.785 -8.893 54.032 1.00 1.00 O ATOM 0 H ASP A 6 30.363 -5.381 53.978 1.00 1.00 H new ATOM 0 HA ASP A 6 32.741 -5.951 52.327 1.00 1.00 H new ATOM 0 HB2 ASP A 6 31.046 -7.925 53.902 1.00 1.00 H new ATOM 0 HB3 ASP A 6 31.896 -8.420 52.452 1.00 1.00 H new ATOM 76 N PHE A 7 30.565 -5.100 50.967 1.00 1.00 N ATOM 77 CA PHE A 7 29.623 -4.969 49.862 1.00 1.00 C ATOM 78 C PHE A 7 30.358 -4.987 48.526 1.00 1.00 C ATOM 79 O PHE A 7 30.932 -3.981 48.109 1.00 1.00 O ATOM 80 CB PHE A 7 28.837 -3.663 49.997 1.00 1.00 C ATOM 81 CG PHE A 7 27.782 -3.817 51.065 1.00 1.00 C ATOM 82 CD1 PHE A 7 28.152 -3.834 52.416 1.00 1.00 C ATOM 83 CD2 PHE A 7 26.436 -3.944 50.706 1.00 1.00 C ATOM 84 CE1 PHE A 7 27.173 -3.977 53.407 1.00 1.00 C ATOM 85 CE2 PHE A 7 25.457 -4.086 51.697 1.00 1.00 C ATOM 86 CZ PHE A 7 25.826 -4.103 53.048 1.00 1.00 C ATOM 0 H PHE A 7 31.039 -4.235 51.227 1.00 1.00 H new ATOM 0 HA PHE A 7 28.934 -5.813 49.896 1.00 1.00 H new ATOM 0 HB2 PHE A 7 29.511 -2.845 50.252 1.00 1.00 H new ATOM 0 HB3 PHE A 7 28.371 -3.407 49.045 1.00 1.00 H new ATOM 0 HD1 PHE A 7 29.191 -3.737 52.693 1.00 1.00 H new ATOM 0 HD2 PHE A 7 26.152 -3.933 49.664 1.00 1.00 H new ATOM 0 HE1 PHE A 7 27.457 -3.990 54.449 1.00 1.00 H new ATOM 0 HE2 PHE A 7 24.418 -4.182 51.420 1.00 1.00 H new ATOM 0 HZ PHE A 7 25.071 -4.213 53.813 1.00 1.00 H new ATOM 96 N ASP A 8 30.337 -6.138 47.860 1.00 1.00 N ATOM 97 CA ASP A 8 31.006 -6.274 46.572 1.00 1.00 C ATOM 98 C ASP A 8 30.140 -7.071 45.600 1.00 1.00 C ATOM 99 O ASP A 8 30.605 -8.027 44.980 1.00 1.00 O ATOM 100 CB ASP A 8 32.351 -6.980 46.754 1.00 1.00 C ATOM 101 CG ASP A 8 33.123 -6.341 47.904 1.00 1.00 C ATOM 102 OD1 ASP A 8 33.283 -5.131 47.883 1.00 1.00 O ATOM 103 OD2 ASP A 8 33.543 -7.069 48.787 1.00 1.00 O ATOM 0 H ASP A 8 29.868 -6.982 48.188 1.00 1.00 H new ATOM 0 HA ASP A 8 31.171 -5.277 46.163 1.00 1.00 H new ATOM 0 HB2 ASP A 8 32.191 -8.039 46.956 1.00 1.00 H new ATOM 0 HB3 ASP A 8 32.932 -6.916 45.834 1.00 1.00 H new ATOM 108 N ASN A 9 28.879 -6.669 45.474 1.00 1.00 N ATOM 109 CA ASN A 9 27.957 -7.353 44.575 1.00 1.00 C ATOM 110 C ASN A 9 27.084 -6.345 43.834 1.00 1.00 C ATOM 111 O ASN A 9 25.879 -6.544 43.687 1.00 1.00 O ATOM 112 CB ASN A 9 27.070 -8.314 45.369 1.00 1.00 C ATOM 113 CG ASN A 9 27.929 -9.187 46.278 1.00 1.00 C ATOM 114 OD1 ASN A 9 28.500 -8.696 47.251 1.00 1.00 O ATOM 115 ND2 ASN A 9 28.054 -10.458 46.016 1.00 1.00 N ATOM 0 H ASN A 9 28.475 -5.880 45.979 1.00 1.00 H new ATOM 0 HA ASN A 9 28.540 -7.916 43.846 1.00 1.00 H new ATOM 0 HB2 ASN A 9 26.352 -7.751 45.965 1.00 1.00 H new ATOM 0 HB3 ASN A 9 26.496 -8.940 44.686 1.00 1.00 H new ATOM 0 HD21 ASN A 9 28.627 -11.049 46.619 1.00 1.00 H new ATOM 0 HD22 ASN A 9 27.579 -10.861 45.208 1.00 1.00 H new ATOM 122 N TYR A 10 27.701 -5.263 43.372 1.00 1.00 N ATOM 123 CA TYR A 10 26.969 -4.230 42.647 1.00 1.00 C ATOM 124 C TYR A 10 26.213 -4.835 41.470 1.00 1.00 C ATOM 125 O TYR A 10 26.743 -5.677 40.745 1.00 1.00 O ATOM 126 CB TYR A 10 27.940 -3.162 42.138 1.00 1.00 C ATOM 127 CG TYR A 10 28.554 -2.439 43.313 1.00 1.00 C ATOM 128 CD1 TYR A 10 29.741 -2.912 43.884 1.00 1.00 C ATOM 129 CD2 TYR A 10 27.936 -1.294 43.830 1.00 1.00 C ATOM 130 CE1 TYR A 10 30.310 -2.241 44.972 1.00 1.00 C ATOM 131 CE2 TYR A 10 28.506 -0.623 44.919 1.00 1.00 C ATOM 132 CZ TYR A 10 29.693 -1.097 45.491 1.00 1.00 C ATOM 133 OH TYR A 10 30.254 -0.435 46.563 1.00 1.00 O ATOM 0 H TYR A 10 28.698 -5.079 43.485 1.00 1.00 H new ATOM 0 HA TYR A 10 26.251 -3.773 43.329 1.00 1.00 H new ATOM 0 HB2 TYR A 10 28.720 -3.623 41.533 1.00 1.00 H new ATOM 0 HB3 TYR A 10 27.415 -2.455 41.496 1.00 1.00 H new ATOM 0 HD1 TYR A 10 30.218 -3.795 43.485 1.00 1.00 H new ATOM 0 HD2 TYR A 10 27.020 -0.928 43.389 1.00 1.00 H new ATOM 0 HE1 TYR A 10 31.226 -2.606 45.412 1.00 1.00 H new ATOM 0 HE2 TYR A 10 28.030 0.261 45.318 1.00 1.00 H new ATOM 0 HH TYR A 10 29.699 0.338 46.796 1.00 1.00 H new ATOM 143 N TYR A 11 24.971 -4.400 41.285 1.00 1.00 N ATOM 144 CA TYR A 11 24.149 -4.906 40.191 1.00 1.00 C ATOM 145 C TYR A 11 24.839 -4.672 38.850 1.00 1.00 C ATOM 146 O TYR A 11 25.888 -4.031 38.785 1.00 1.00 O ATOM 147 CB TYR A 11 22.787 -4.209 40.194 1.00 1.00 C ATOM 148 CG TYR A 11 22.940 -2.801 39.668 1.00 1.00 C ATOM 149 CD1 TYR A 11 23.449 -1.796 40.499 1.00 1.00 C ATOM 150 CD2 TYR A 11 22.573 -2.503 38.352 1.00 1.00 C ATOM 151 CE1 TYR A 11 23.590 -0.491 40.012 1.00 1.00 C ATOM 152 CE2 TYR A 11 22.714 -1.198 37.864 1.00 1.00 C ATOM 153 CZ TYR A 11 23.223 -0.191 38.694 1.00 1.00 C ATOM 154 OH TYR A 11 23.362 1.095 38.214 1.00 1.00 O ATOM 0 H TYR A 11 24.514 -3.703 41.873 1.00 1.00 H new ATOM 0 HA TYR A 11 24.008 -5.978 40.333 1.00 1.00 H new ATOM 0 HB2 TYR A 11 22.081 -4.764 39.577 1.00 1.00 H new ATOM 0 HB3 TYR A 11 22.379 -4.189 41.205 1.00 1.00 H new ATOM 0 HD1 TYR A 11 23.733 -2.027 41.515 1.00 1.00 H new ATOM 0 HD2 TYR A 11 22.181 -3.279 37.712 1.00 1.00 H new ATOM 0 HE1 TYR A 11 23.982 0.285 40.653 1.00 1.00 H new ATOM 0 HE2 TYR A 11 22.430 -0.968 36.848 1.00 1.00 H new ATOM 0 HH TYR A 11 23.063 1.130 37.282 1.00 1.00 H new ATOM 164 N GLY A 12 24.243 -5.196 37.785 1.00 1.00 N ATOM 165 CA GLY A 12 24.809 -5.038 36.450 1.00 1.00 C ATOM 166 C GLY A 12 24.685 -6.330 35.650 1.00 1.00 C ATOM 167 O GLY A 12 25.223 -7.366 36.038 1.00 1.00 O ATOM 0 H GLY A 12 23.375 -5.730 37.819 1.00 1.00 H new ATOM 0 HA2 GLY A 12 24.296 -4.231 35.927 1.00 1.00 H new ATOM 0 HA3 GLY A 12 25.858 -4.752 36.527 1.00 1.00 H new ATOM 171 N ALA A 13 23.973 -6.260 34.529 1.00 1.00 N ATOM 172 CA ALA A 13 23.785 -7.431 33.681 1.00 1.00 C ATOM 173 C ALA A 13 24.823 -7.455 32.564 1.00 1.00 C ATOM 174 O ALA A 13 24.492 -7.689 31.401 1.00 1.00 O ATOM 175 CB ALA A 13 22.380 -7.416 33.074 1.00 1.00 C ATOM 0 H ALA A 13 23.520 -5.412 34.189 1.00 1.00 H new ATOM 0 HA ALA A 13 23.906 -8.324 34.294 1.00 1.00 H new ATOM 0 HB1 ALA A 13 22.247 -8.294 32.442 1.00 1.00 H new ATOM 0 HB2 ALA A 13 21.638 -7.429 33.873 1.00 1.00 H new ATOM 0 HB3 ALA A 13 22.252 -6.515 32.475 1.00 1.00 H new ATOM 181 N ASP A 14 26.079 -7.214 32.925 1.00 1.00 N ATOM 182 CA ASP A 14 27.157 -7.212 31.945 1.00 1.00 C ATOM 183 C ASP A 14 27.775 -8.601 31.823 1.00 1.00 C ATOM 184 O ASP A 14 28.875 -8.847 32.319 1.00 1.00 O ATOM 185 CB ASP A 14 28.235 -6.206 32.356 1.00 1.00 C ATOM 186 CG ASP A 14 28.731 -6.520 33.762 1.00 1.00 C ATOM 187 OD1 ASP A 14 27.902 -6.654 34.647 1.00 1.00 O ATOM 188 OD2 ASP A 14 29.936 -6.622 33.935 1.00 1.00 O ATOM 0 H ASP A 14 26.373 -7.019 33.882 1.00 1.00 H new ATOM 0 HA ASP A 14 26.742 -6.926 30.978 1.00 1.00 H new ATOM 0 HB2 ASP A 14 29.066 -6.243 31.652 1.00 1.00 H new ATOM 0 HB3 ASP A 14 27.832 -5.194 32.321 1.00 1.00 H new ATOM 193 N ASN A 15 27.061 -9.505 31.161 1.00 1.00 N ATOM 194 CA ASN A 15 27.548 -10.867 30.981 1.00 1.00 C ATOM 195 C ASN A 15 26.887 -11.517 29.770 1.00 1.00 C ATOM 196 O ASN A 15 27.504 -11.653 28.713 1.00 1.00 O ATOM 197 CB ASN A 15 27.253 -11.697 32.232 1.00 1.00 C ATOM 198 CG ASN A 15 28.402 -11.567 33.227 1.00 1.00 C ATOM 199 OD1 ASN A 15 28.176 -11.276 34.402 1.00 1.00 O ATOM 200 ND2 ASN A 15 29.627 -11.767 32.826 1.00 1.00 N ATOM 0 H ASN A 15 26.149 -9.321 30.743 1.00 1.00 H new ATOM 0 HA ASN A 15 28.625 -10.829 30.816 1.00 1.00 H new ATOM 0 HB2 ASN A 15 26.324 -11.360 32.691 1.00 1.00 H new ATOM 0 HB3 ASN A 15 27.113 -12.743 31.960 1.00 1.00 H new ATOM 0 HD21 ASN A 15 30.400 -11.682 33.486 1.00 1.00 H new ATOM 0 HD22 ASN A 15 29.812 -12.008 31.852 1.00 1.00 H new ATOM 207 N GLN A 16 25.631 -11.916 29.931 1.00 1.00 N ATOM 208 CA GLN A 16 24.894 -12.551 28.843 1.00 1.00 C ATOM 209 C GLN A 16 24.809 -11.619 27.639 1.00 1.00 C ATOM 210 O GLN A 16 24.267 -11.985 26.596 1.00 1.00 O ATOM 211 CB GLN A 16 23.484 -12.917 29.310 1.00 1.00 C ATOM 212 CG GLN A 16 22.600 -11.668 29.305 1.00 1.00 C ATOM 213 CD GLN A 16 23.375 -10.476 29.858 1.00 1.00 C ATOM 214 OE1 GLN A 16 23.899 -10.537 30.970 1.00 1.00 O ATOM 215 NE2 GLN A 16 23.482 -9.390 29.142 1.00 1.00 N ATOM 0 H GLN A 16 25.104 -11.813 30.798 1.00 1.00 H new ATOM 0 HA GLN A 16 25.424 -13.457 28.550 1.00 1.00 H new ATOM 0 HB2 GLN A 16 23.059 -13.678 28.655 1.00 1.00 H new ATOM 0 HB3 GLN A 16 23.522 -13.344 30.312 1.00 1.00 H new ATOM 0 HG2 GLN A 16 22.264 -11.454 28.290 1.00 1.00 H new ATOM 0 HG3 GLN A 16 21.707 -11.842 29.906 1.00 1.00 H new ATOM 0 HE21 GLN A 16 23.047 -9.342 28.221 1.00 1.00 H new ATOM 0 HE22 GLN A 16 24.001 -8.590 29.504 1.00 1.00 H new ATOM 224 N SER A 17 25.347 -10.413 27.789 1.00 1.00 N ATOM 225 CA SER A 17 25.325 -9.437 26.707 1.00 1.00 C ATOM 226 C SER A 17 26.553 -9.595 25.816 1.00 1.00 C ATOM 227 O SER A 17 27.688 -9.516 26.287 1.00 1.00 O ATOM 228 CB SER A 17 25.289 -8.021 27.282 1.00 1.00 C ATOM 229 OG SER A 17 23.990 -7.472 27.096 1.00 1.00 O ATOM 0 H SER A 17 25.801 -10.090 28.644 1.00 1.00 H new ATOM 0 HA SER A 17 24.431 -9.609 26.107 1.00 1.00 H new ATOM 0 HB2 SER A 17 25.540 -8.040 28.343 1.00 1.00 H new ATOM 0 HB3 SER A 17 26.034 -7.397 26.789 1.00 1.00 H new ATOM 0 HG SER A 17 23.962 -6.565 27.465 1.00 1.00 H new ATOM 235 N GLU A 18 26.318 -9.818 24.527 1.00 1.00 N ATOM 236 CA GLU A 18 27.414 -9.986 23.579 1.00 1.00 C ATOM 237 C GLU A 18 28.037 -8.636 23.238 1.00 1.00 C ATOM 238 O GLU A 18 28.134 -8.265 22.068 1.00 1.00 O ATOM 239 CB GLU A 18 26.900 -10.652 22.300 1.00 1.00 C ATOM 240 CG GLU A 18 28.081 -10.989 21.388 1.00 1.00 C ATOM 241 CD GLU A 18 28.195 -12.500 21.218 1.00 1.00 C ATOM 242 OE1 GLU A 18 28.313 -13.182 22.223 1.00 1.00 O ATOM 243 OE2 GLU A 18 28.168 -12.953 20.085 1.00 1.00 O ATOM 0 H GLU A 18 25.386 -9.886 24.117 1.00 1.00 H new ATOM 0 HA GLU A 18 28.174 -10.619 24.037 1.00 1.00 H new ATOM 0 HB2 GLU A 18 26.347 -11.559 22.547 1.00 1.00 H new ATOM 0 HB3 GLU A 18 26.207 -9.987 21.784 1.00 1.00 H new ATOM 0 HG2 GLU A 18 27.947 -10.515 20.416 1.00 1.00 H new ATOM 0 HG3 GLU A 18 29.003 -10.592 21.812 1.00 1.00 H new ATOM 250 N CYS A 19 28.459 -7.908 24.267 1.00 1.00 N ATOM 251 CA CYS A 19 29.073 -6.600 24.062 1.00 1.00 C ATOM 252 C CYS A 19 28.317 -5.818 22.994 1.00 1.00 C ATOM 253 O CYS A 19 27.088 -5.852 22.940 1.00 1.00 O ATOM 254 CB CYS A 19 30.529 -6.770 23.630 1.00 1.00 C ATOM 255 SG CYS A 19 31.475 -5.302 24.106 1.00 1.00 S ATOM 0 H CYS A 19 28.388 -8.197 25.243 1.00 1.00 H new ATOM 0 HA CYS A 19 29.033 -6.049 25.001 1.00 1.00 H new ATOM 0 HB2 CYS A 19 30.956 -7.658 24.096 1.00 1.00 H new ATOM 0 HB3 CYS A 19 30.585 -6.918 22.551 1.00 1.00 H new ATOM 0 HG CYS A 19 32.714 -5.447 23.741 1.00 1.00 H new ATOM 261 N GLU A 20 29.061 -5.122 22.142 1.00 1.00 N ATOM 262 CA GLU A 20 28.450 -4.343 21.078 1.00 1.00 C ATOM 263 C GLU A 20 28.409 -5.150 19.785 1.00 1.00 C ATOM 264 O GLU A 20 27.976 -4.651 18.746 1.00 1.00 O ATOM 265 CB GLU A 20 29.237 -3.050 20.854 1.00 1.00 C ATOM 266 CG GLU A 20 29.138 -2.169 22.102 1.00 1.00 C ATOM 267 CD GLU A 20 27.755 -1.530 22.179 1.00 1.00 C ATOM 268 OE1 GLU A 20 27.540 -0.544 21.494 1.00 1.00 O ATOM 269 OE2 GLU A 20 26.931 -2.036 22.923 1.00 1.00 O ATOM 0 H GLU A 20 30.080 -5.083 22.168 1.00 1.00 H new ATOM 0 HA GLU A 20 27.430 -4.096 21.373 1.00 1.00 H new ATOM 0 HB2 GLU A 20 30.281 -3.280 20.640 1.00 1.00 H new ATOM 0 HB3 GLU A 20 28.844 -2.518 19.988 1.00 1.00 H new ATOM 0 HG2 GLU A 20 29.322 -2.766 22.995 1.00 1.00 H new ATOM 0 HG3 GLU A 20 29.905 -1.395 22.073 1.00 1.00 H new ATOM 276 N TYR A 21 28.855 -6.402 19.862 1.00 1.00 N ATOM 277 CA TYR A 21 28.864 -7.281 18.701 1.00 1.00 C ATOM 278 C TYR A 21 29.260 -6.516 17.440 1.00 1.00 C ATOM 279 O TYR A 21 28.926 -6.919 16.327 1.00 1.00 O ATOM 280 CB TYR A 21 27.481 -7.905 18.521 1.00 1.00 C ATOM 281 CG TYR A 21 26.440 -6.815 18.422 1.00 1.00 C ATOM 282 CD1 TYR A 21 26.109 -6.271 17.175 1.00 1.00 C ATOM 283 CD2 TYR A 21 25.805 -6.349 19.579 1.00 1.00 C ATOM 284 CE1 TYR A 21 25.143 -5.262 17.085 1.00 1.00 C ATOM 285 CE2 TYR A 21 24.839 -5.339 19.490 1.00 1.00 C ATOM 286 CZ TYR A 21 24.508 -4.795 18.243 1.00 1.00 C ATOM 287 OH TYR A 21 23.557 -3.800 18.155 1.00 1.00 O ATOM 0 H TYR A 21 29.214 -6.828 20.717 1.00 1.00 H new ATOM 0 HA TYR A 21 29.601 -8.067 18.866 1.00 1.00 H new ATOM 0 HB2 TYR A 21 27.463 -8.521 17.622 1.00 1.00 H new ATOM 0 HB3 TYR A 21 27.255 -8.562 19.361 1.00 1.00 H new ATOM 0 HD1 TYR A 21 26.599 -6.630 16.282 1.00 1.00 H new ATOM 0 HD2 TYR A 21 26.060 -6.769 20.541 1.00 1.00 H new ATOM 0 HE1 TYR A 21 24.887 -4.844 16.123 1.00 1.00 H new ATOM 0 HE2 TYR A 21 24.349 -4.980 20.383 1.00 1.00 H new ATOM 0 HH TYR A 21 23.215 -3.594 19.050 1.00 1.00 H new ATOM 297 N THR A 22 29.975 -5.412 17.628 1.00 1.00 N ATOM 298 CA THR A 22 30.414 -4.594 16.504 1.00 1.00 C ATOM 299 C THR A 22 31.897 -4.815 16.228 1.00 1.00 C ATOM 300 O THR A 22 32.374 -4.566 15.121 1.00 1.00 O ATOM 301 CB THR A 22 30.166 -3.116 16.808 1.00 1.00 C ATOM 302 OG1 THR A 22 28.769 -2.856 16.783 1.00 1.00 O ATOM 303 CG2 THR A 22 30.867 -2.251 15.759 1.00 1.00 C ATOM 0 H THR A 22 30.262 -5.065 18.543 1.00 1.00 H new ATOM 0 HA THR A 22 29.844 -4.885 15.622 1.00 1.00 H new ATOM 0 HB THR A 22 30.563 -2.877 17.795 1.00 1.00 H new ATOM 0 HG1 THR A 22 28.318 -3.427 17.439 1.00 1.00 H new ATOM 0 HG21 THR A 22 30.689 -1.198 15.978 1.00 1.00 H new ATOM 0 HG22 THR A 22 31.938 -2.450 15.780 1.00 1.00 H new ATOM 0 HG23 THR A 22 30.474 -2.488 14.770 1.00 1.00 H new ATOM 311 N ASP A 23 32.620 -5.281 17.240 1.00 1.00 N ATOM 312 CA ASP A 23 34.049 -5.530 17.095 1.00 1.00 C ATOM 313 C ASP A 23 34.315 -7.019 16.893 1.00 1.00 C ATOM 314 O ASP A 23 35.454 -7.433 16.672 1.00 1.00 O ATOM 315 CB ASP A 23 34.791 -5.038 18.338 1.00 1.00 C ATOM 316 CG ASP A 23 34.629 -6.042 19.475 1.00 1.00 C ATOM 317 OD1 ASP A 23 33.612 -6.714 19.505 1.00 1.00 O ATOM 318 OD2 ASP A 23 35.523 -6.121 20.301 1.00 1.00 O ATOM 0 H ASP A 23 32.243 -5.493 18.164 1.00 1.00 H new ATOM 0 HA ASP A 23 34.409 -4.988 16.220 1.00 1.00 H new ATOM 0 HB2 ASP A 23 35.848 -4.902 18.110 1.00 1.00 H new ATOM 0 HB3 ASP A 23 34.403 -4.066 18.642 1.00 1.00 H new ATOM 323 N TRP A 24 33.257 -7.815 16.974 1.00 1.00 N ATOM 324 CA TRP A 24 33.375 -9.259 16.802 1.00 1.00 C ATOM 325 C TRP A 24 34.152 -9.601 15.532 1.00 1.00 C ATOM 326 O TRP A 24 34.884 -10.590 15.496 1.00 1.00 O ATOM 327 CB TRP A 24 31.983 -9.889 16.735 1.00 1.00 C ATOM 328 CG TRP A 24 31.291 -9.443 15.485 1.00 1.00 C ATOM 329 CD1 TRP A 24 31.001 -8.158 15.174 1.00 1.00 C ATOM 330 CD2 TRP A 24 30.801 -10.253 14.379 1.00 1.00 C ATOM 331 NE1 TRP A 24 30.362 -8.130 13.948 1.00 1.00 N ATOM 332 CE2 TRP A 24 30.217 -9.396 13.416 1.00 1.00 C ATOM 333 CE3 TRP A 24 30.807 -11.636 14.119 1.00 1.00 C ATOM 334 CZ2 TRP A 24 29.657 -9.892 12.238 1.00 1.00 C ATOM 335 CZ3 TRP A 24 30.246 -12.139 12.933 1.00 1.00 C ATOM 336 CH2 TRP A 24 29.672 -11.268 11.996 1.00 1.00 C ATOM 0 H TRP A 24 32.309 -7.487 17.157 1.00 1.00 H new ATOM 0 HA TRP A 24 33.920 -9.659 17.657 1.00 1.00 H new ATOM 0 HB2 TRP A 24 32.063 -10.976 16.750 1.00 1.00 H new ATOM 0 HB3 TRP A 24 31.399 -9.600 17.609 1.00 1.00 H new ATOM 0 HD1 TRP A 24 31.231 -7.296 15.783 1.00 1.00 H new ATOM 0 HE1 TRP A 24 30.037 -7.277 13.492 1.00 1.00 H new ATOM 0 HE3 TRP A 24 31.245 -12.315 14.835 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 29.216 -9.218 11.519 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 30.257 -13.202 12.742 1.00 1.00 H new ATOM 0 HH2 TRP A 24 29.241 -11.661 11.087 1.00 1.00 H new ATOM 347 N LYS A 25 33.979 -8.785 14.493 1.00 1.00 N ATOM 348 CA LYS A 25 34.665 -9.020 13.222 1.00 1.00 C ATOM 349 C LYS A 25 35.537 -7.828 12.840 1.00 1.00 C ATOM 350 O LYS A 25 36.306 -7.893 11.881 1.00 1.00 O ATOM 351 CB LYS A 25 33.638 -9.275 12.116 1.00 1.00 C ATOM 352 CG LYS A 25 32.860 -7.987 11.825 1.00 1.00 C ATOM 353 CD LYS A 25 33.373 -7.356 10.527 1.00 1.00 C ATOM 354 CE LYS A 25 32.825 -8.132 9.328 1.00 1.00 C ATOM 355 NZ LYS A 25 33.903 -8.309 8.315 1.00 1.00 N ATOM 0 H LYS A 25 33.376 -7.963 14.505 1.00 1.00 H new ATOM 0 HA LYS A 25 35.305 -9.894 13.340 1.00 1.00 H new ATOM 0 HB2 LYS A 25 34.141 -9.619 11.212 1.00 1.00 H new ATOM 0 HB3 LYS A 25 32.951 -10.065 12.420 1.00 1.00 H new ATOM 0 HG2 LYS A 25 31.796 -8.205 11.739 1.00 1.00 H new ATOM 0 HG3 LYS A 25 32.976 -7.286 12.652 1.00 1.00 H new ATOM 0 HD2 LYS A 25 33.063 -6.313 10.470 1.00 1.00 H new ATOM 0 HD3 LYS A 25 34.463 -7.366 10.512 1.00 1.00 H new ATOM 0 HE2 LYS A 25 32.451 -9.104 9.650 1.00 1.00 H new ATOM 0 HE3 LYS A 25 31.983 -7.597 8.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 33.530 -8.837 7.500 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 34.239 -7.377 8.000 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 34.693 -8.837 8.737 1.00 1.00 H new ATOM 369 N SER A 26 35.413 -6.738 13.589 1.00 1.00 N ATOM 370 CA SER A 26 36.198 -5.541 13.310 1.00 1.00 C ATOM 371 C SER A 26 37.556 -5.619 13.997 1.00 1.00 C ATOM 372 O SER A 26 38.192 -4.597 14.255 1.00 1.00 O ATOM 373 CB SER A 26 35.447 -4.299 13.788 1.00 1.00 C ATOM 374 OG SER A 26 35.557 -3.277 12.806 1.00 1.00 O ATOM 0 H SER A 26 34.783 -6.658 14.387 1.00 1.00 H new ATOM 0 HA SER A 26 36.354 -5.474 12.233 1.00 1.00 H new ATOM 0 HB2 SER A 26 34.398 -4.539 13.964 1.00 1.00 H new ATOM 0 HB3 SER A 26 35.858 -3.954 14.737 1.00 1.00 H new ATOM 0 HG SER A 26 35.075 -2.479 13.109 1.00 1.00 H new ATOM 380 N SER A 27 37.996 -6.840 14.285 1.00 1.00 N ATOM 381 CA SER A 27 39.284 -7.047 14.939 1.00 1.00 C ATOM 382 C SER A 27 39.174 -6.799 16.440 1.00 1.00 C ATOM 383 O SER A 27 40.069 -6.213 17.049 1.00 1.00 O ATOM 384 CB SER A 27 40.333 -6.108 14.341 1.00 1.00 C ATOM 385 OG SER A 27 41.601 -6.751 14.355 1.00 1.00 O ATOM 0 H SER A 27 37.483 -7.697 14.077 1.00 1.00 H new ATOM 0 HA SER A 27 39.587 -8.081 14.776 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.059 -5.841 13.320 1.00 1.00 H new ATOM 0 HB3 SER A 27 40.376 -5.181 14.913 1.00 1.00 H new ATOM 0 HG SER A 27 42.275 -6.153 13.971 1.00 1.00 H new ATOM 391 N GLY A 28 38.073 -7.249 17.031 1.00 1.00 N ATOM 392 CA GLY A 28 37.858 -7.071 18.461 1.00 1.00 C ATOM 393 C GLY A 28 38.220 -5.654 18.891 1.00 1.00 C ATOM 394 O GLY A 28 38.469 -5.396 20.069 1.00 1.00 O ATOM 0 H GLY A 28 37.320 -7.737 16.545 1.00 1.00 H new ATOM 0 HA2 GLY A 28 36.815 -7.274 18.705 1.00 1.00 H new ATOM 0 HA3 GLY A 28 38.461 -7.790 19.016 1.00 1.00 H new ATOM 398 N ALA A 29 38.246 -4.739 17.928 1.00 1.00 N ATOM 399 CA ALA A 29 38.578 -3.348 18.216 1.00 1.00 C ATOM 400 C ALA A 29 39.844 -3.263 19.062 1.00 1.00 C ATOM 401 O ALA A 29 39.803 -3.448 20.279 1.00 1.00 O ATOM 402 CB ALA A 29 37.421 -2.678 18.957 1.00 1.00 C ATOM 0 H ALA A 29 38.043 -4.933 16.948 1.00 1.00 H new ATOM 0 HA ALA A 29 38.751 -2.833 17.271 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.677 -1.640 19.168 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.524 -2.712 18.338 1.00 1.00 H new ATOM 0 HB3 ALA A 29 37.236 -3.204 19.894 1.00 1.00 H new ATOM 408 N LEU A 30 40.968 -2.983 18.410 1.00 1.00 N ATOM 409 CA LEU A 30 42.241 -2.875 19.113 1.00 1.00 C ATOM 410 C LEU A 30 42.300 -1.583 19.921 1.00 1.00 C ATOM 411 O LEU A 30 42.053 -1.582 21.127 1.00 1.00 O ATOM 412 CB LEU A 30 43.396 -2.906 18.110 1.00 1.00 C ATOM 413 CG LEU A 30 43.510 -4.307 17.506 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.688 -4.196 15.990 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.718 -5.025 18.110 1.00 1.00 C ATOM 0 H LEU A 30 41.024 -2.828 17.403 1.00 1.00 H new ATOM 0 HA LEU A 30 42.330 -3.720 19.795 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.228 -2.172 17.322 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.329 -2.635 18.605 1.00 1.00 H new ATOM 0 HG LEU A 30 42.604 -4.872 17.725 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.769 -5.194 15.559 1.00 1.00 H new ATOM 0 HD12 LEU A 30 42.828 -3.684 15.559 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.594 -3.631 15.770 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.800 -6.023 17.680 1.00 1.00 H new ATOM 0 HD22 LEU A 30 45.624 -4.460 17.891 1.00 1.00 H new ATOM 0 HD23 LEU A 30 44.592 -5.104 19.190 1.00 1.00 H new ATOM 427 N ILE A 31 42.629 -0.485 19.248 1.00 1.00 N ATOM 428 CA ILE A 31 42.717 0.809 19.914 1.00 1.00 C ATOM 429 C ILE A 31 41.330 1.443 20.101 1.00 1.00 C ATOM 430 O ILE A 31 41.101 2.133 21.094 1.00 1.00 O ATOM 431 CB ILE A 31 43.628 1.752 19.116 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.088 1.505 19.518 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.252 3.212 19.399 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.458 2.371 20.728 1.00 1.00 C ATOM 0 H ILE A 31 42.838 -0.465 18.250 1.00 1.00 H new ATOM 0 HA ILE A 31 43.145 0.648 20.903 1.00 1.00 H new ATOM 0 HB ILE A 31 43.504 1.558 18.051 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.234 0.452 19.757 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.747 1.736 18.681 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.904 3.873 18.828 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.216 3.384 19.107 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.368 3.418 20.463 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.496 2.187 21.004 1.00 1.00 H new ATOM 0 HD12 ILE A 31 45.331 3.424 20.475 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.810 2.119 21.567 1.00 1.00 H new ATOM 446 N PRO A 32 40.406 1.237 19.187 1.00 1.00 N ATOM 447 CA PRO A 32 39.037 1.825 19.303 1.00 1.00 C ATOM 448 C PRO A 32 38.333 1.389 20.586 1.00 1.00 C ATOM 449 O PRO A 32 37.586 2.160 21.187 1.00 1.00 O ATOM 450 CB PRO A 32 38.293 1.299 18.069 1.00 1.00 C ATOM 451 CG PRO A 32 39.352 0.864 17.113 1.00 1.00 C ATOM 452 CD PRO A 32 40.547 0.437 17.959 1.00 1.00 C ATOM 0 HA PRO A 32 39.069 2.914 19.348 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.638 0.468 18.332 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.665 2.074 17.631 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.001 0.039 16.493 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.624 1.676 16.439 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.526 -0.632 18.172 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.490 0.642 17.453 1.00 1.00 H new ATOM 460 N ALA A 33 38.578 0.149 20.996 1.00 1.00 N ATOM 461 CA ALA A 33 37.963 -0.378 22.209 1.00 1.00 C ATOM 462 C ALA A 33 38.263 0.527 23.399 1.00 1.00 C ATOM 463 O ALA A 33 37.472 0.613 24.339 1.00 1.00 O ATOM 464 CB ALA A 33 38.489 -1.787 22.491 1.00 1.00 C ATOM 0 H ALA A 33 39.193 -0.505 20.511 1.00 1.00 H new ATOM 0 HA ALA A 33 36.884 -0.416 22.060 1.00 1.00 H new ATOM 0 HB1 ALA A 33 38.025 -2.174 23.398 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.247 -2.440 21.653 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.570 -1.752 22.623 1.00 1.00 H new ATOM 470 N ILE A 34 39.407 1.199 23.351 1.00 1.00 N ATOM 471 CA ILE A 34 39.801 2.096 24.432 1.00 1.00 C ATOM 472 C ILE A 34 39.212 3.486 24.213 1.00 1.00 C ATOM 473 O ILE A 34 38.723 4.119 25.148 1.00 1.00 O ATOM 474 CB ILE A 34 41.324 2.190 24.505 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.926 0.786 24.415 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.734 2.834 25.831 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.418 0.847 24.745 1.00 1.00 C ATOM 0 H ILE A 34 40.074 1.141 22.582 1.00 1.00 H new ATOM 0 HA ILE A 34 39.419 1.695 25.371 1.00 1.00 H new ATOM 0 HB ILE A 34 41.689 2.798 23.677 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.417 0.116 25.108 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.781 0.380 23.414 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.821 2.901 25.882 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.305 3.834 25.898 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.368 2.227 26.659 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.846 -0.153 24.681 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.921 1.503 24.035 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.552 1.235 25.755 1.00 1.00 H new ATOM 489 N TYR A 35 39.263 3.955 22.970 1.00 1.00 N ATOM 490 CA TYR A 35 38.731 5.271 22.638 1.00 1.00 C ATOM 491 C TYR A 35 37.319 5.432 23.189 1.00 1.00 C ATOM 492 O TYR A 35 36.906 6.534 23.552 1.00 1.00 O ATOM 493 CB TYR A 35 38.713 5.458 21.121 1.00 1.00 C ATOM 494 CG TYR A 35 39.078 6.884 20.784 1.00 1.00 C ATOM 495 CD1 TYR A 35 38.093 7.879 20.792 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.401 7.213 20.465 1.00 1.00 C ATOM 497 CE1 TYR A 35 38.430 9.202 20.480 1.00 1.00 C ATOM 498 CE2 TYR A 35 40.738 8.536 20.154 1.00 1.00 C ATOM 499 CZ TYR A 35 39.753 9.530 20.161 1.00 1.00 C ATOM 500 OH TYR A 35 40.086 10.834 19.854 1.00 1.00 O ATOM 0 H TYR A 35 39.664 3.447 22.182 1.00 1.00 H new ATOM 0 HA TYR A 35 39.373 6.027 23.090 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.416 4.771 20.651 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.725 5.222 20.727 1.00 1.00 H new ATOM 0 HD1 TYR A 35 37.073 7.626 21.039 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.162 6.446 20.459 1.00 1.00 H new ATOM 0 HE1 TYR A 35 37.670 9.969 20.485 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.759 8.789 19.909 1.00 1.00 H new ATOM 0 HH TYR A 35 41.045 10.889 19.658 1.00 1.00 H new ATOM 510 N MET A 36 36.584 4.328 23.248 1.00 1.00 N ATOM 511 CA MET A 36 35.219 4.359 23.758 1.00 1.00 C ATOM 512 C MET A 36 35.205 4.146 25.267 1.00 1.00 C ATOM 513 O MET A 36 34.390 4.732 25.978 1.00 1.00 O ATOM 514 CB MET A 36 34.383 3.275 23.078 1.00 1.00 C ATOM 515 CG MET A 36 33.996 3.740 21.674 1.00 1.00 C ATOM 516 SD MET A 36 33.591 2.303 20.651 1.00 1.00 S ATOM 517 CE MET A 36 34.170 2.975 19.074 1.00 1.00 C ATOM 0 H MET A 36 36.907 3.407 22.952 1.00 1.00 H new ATOM 0 HA MET A 36 34.791 5.337 23.538 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.949 2.345 23.022 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.488 3.069 23.665 1.00 1.00 H new ATOM 0 HG2 MET A 36 33.142 4.415 21.726 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.817 4.299 21.225 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.013 2.239 18.285 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.614 3.883 18.839 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.232 3.208 19.146 1.00 1.00 H new ATOM 527 N LEU A 37 36.114 3.306 25.749 1.00 1.00 N ATOM 528 CA LEU A 37 36.194 3.027 27.177 1.00 1.00 C ATOM 529 C LEU A 37 36.363 4.326 27.958 1.00 1.00 C ATOM 530 O LEU A 37 36.136 4.369 29.167 1.00 1.00 O ATOM 531 CB LEU A 37 37.376 2.093 27.463 1.00 1.00 C ATOM 532 CG LEU A 37 37.237 1.479 28.864 1.00 1.00 C ATOM 533 CD1 LEU A 37 36.028 0.535 28.919 1.00 1.00 C ATOM 534 CD2 LEU A 37 38.505 0.692 29.197 1.00 1.00 C ATOM 0 H LEU A 37 36.799 2.811 25.178 1.00 1.00 H new ATOM 0 HA LEU A 37 35.270 2.542 27.491 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.415 1.303 26.713 1.00 1.00 H new ATOM 0 HB3 LEU A 37 38.312 2.646 27.391 1.00 1.00 H new ATOM 0 HG LEU A 37 37.092 2.281 29.588 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.944 0.109 29.919 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.121 1.092 28.685 1.00 1.00 H new ATOM 0 HD13 LEU A 37 36.159 -0.267 28.192 1.00 1.00 H new ATOM 0 HD21 LEU A 37 38.411 0.254 30.191 1.00 1.00 H new ATOM 0 HD22 LEU A 37 38.644 -0.101 28.463 1.00 1.00 H new ATOM 0 HD23 LEU A 37 39.365 1.361 29.175 1.00 1.00 H new ATOM 546 N VAL A 38 36.760 5.383 27.253 1.00 1.00 N ATOM 547 CA VAL A 38 36.954 6.687 27.879 1.00 1.00 C ATOM 548 C VAL A 38 35.967 7.700 27.307 1.00 1.00 C ATOM 549 O VAL A 38 36.174 8.909 27.413 1.00 1.00 O ATOM 550 CB VAL A 38 38.384 7.174 27.639 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.744 8.234 28.683 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.349 5.992 27.760 1.00 1.00 C ATOM 0 H VAL A 38 36.953 5.362 26.252 1.00 1.00 H new ATOM 0 HA VAL A 38 36.781 6.588 28.951 1.00 1.00 H new ATOM 0 HB VAL A 38 38.459 7.607 26.641 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.763 8.581 28.512 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.055 9.075 28.600 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.670 7.802 29.681 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.369 6.336 27.589 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.274 5.561 28.759 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.093 5.236 27.018 1.00 1.00 H new ATOM 562 N PHE A 39 34.897 7.193 26.700 1.00 1.00 N ATOM 563 CA PHE A 39 33.876 8.053 26.110 1.00 1.00 C ATOM 564 C PHE A 39 32.503 7.723 26.685 1.00 1.00 C ATOM 565 O PHE A 39 31.489 8.261 26.240 1.00 1.00 O ATOM 566 CB PHE A 39 33.852 7.869 24.592 1.00 1.00 C ATOM 567 CG PHE A 39 33.207 9.072 23.948 1.00 1.00 C ATOM 568 CD1 PHE A 39 33.926 10.267 23.820 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.890 8.994 23.482 1.00 1.00 C ATOM 570 CE1 PHE A 39 33.326 11.383 23.225 1.00 1.00 C ATOM 571 CE2 PHE A 39 31.290 10.111 22.887 1.00 1.00 C ATOM 572 CZ PHE A 39 32.009 11.306 22.758 1.00 1.00 C ATOM 0 H PHE A 39 34.715 6.194 26.604 1.00 1.00 H new ATOM 0 HA PHE A 39 34.118 9.089 26.346 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.867 7.742 24.215 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.300 6.965 24.333 1.00 1.00 H new ATOM 0 HD1 PHE A 39 34.942 10.327 24.180 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.336 8.072 23.581 1.00 1.00 H new ATOM 0 HE1 PHE A 39 33.880 12.305 23.126 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.273 10.051 22.528 1.00 1.00 H new ATOM 0 HZ PHE A 39 31.547 12.167 22.298 1.00 1.00 H new ATOM 582 N LEU A 40 32.477 6.837 27.676 1.00 1.00 N ATOM 583 CA LEU A 40 31.220 6.446 28.303 1.00 1.00 C ATOM 584 C LEU A 40 31.382 6.332 29.816 1.00 1.00 C ATOM 585 O LEU A 40 30.438 6.572 30.568 1.00 1.00 O ATOM 586 CB LEU A 40 30.739 5.108 27.733 1.00 1.00 C ATOM 587 CG LEU A 40 31.811 4.033 27.943 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.415 3.136 29.117 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.931 3.183 26.676 1.00 1.00 C ATOM 0 H LEU A 40 33.304 6.380 28.059 1.00 1.00 H new ATOM 0 HA LEU A 40 30.479 7.216 28.088 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.811 4.808 28.220 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.521 5.213 26.670 1.00 1.00 H new ATOM 0 HG LEU A 40 32.767 4.511 28.157 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.178 2.372 29.265 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.325 3.738 30.021 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.459 2.657 28.903 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.693 2.417 26.822 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.974 2.707 26.465 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.212 3.819 25.837 1.00 1.00 H new ATOM 601 N LEU A 41 32.582 5.965 30.256 1.00 1.00 N ATOM 602 CA LEU A 41 32.850 5.826 31.683 1.00 1.00 C ATOM 603 C LEU A 41 32.200 6.964 32.462 1.00 1.00 C ATOM 604 O LEU A 41 31.689 6.763 33.564 1.00 1.00 O ATOM 605 CB LEU A 41 34.362 5.831 31.932 1.00 1.00 C ATOM 606 CG LEU A 41 34.853 4.414 32.252 1.00 1.00 C ATOM 607 CD1 LEU A 41 34.281 3.955 33.597 1.00 1.00 C ATOM 608 CD2 LEU A 41 34.403 3.450 31.150 1.00 1.00 C ATOM 0 H LEU A 41 33.377 5.760 29.651 1.00 1.00 H new ATOM 0 HA LEU A 41 32.429 4.880 32.024 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.881 6.213 31.053 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.599 6.501 32.759 1.00 1.00 H new ATOM 0 HG LEU A 41 35.942 4.419 32.307 1.00 1.00 H new ATOM 0 HD11 LEU A 41 34.634 2.948 33.818 1.00 1.00 H new ATOM 0 HD12 LEU A 41 34.609 4.635 34.383 1.00 1.00 H new ATOM 0 HD13 LEU A 41 33.192 3.955 33.548 1.00 1.00 H new ATOM 0 HD21 LEU A 41 34.754 2.444 31.381 1.00 1.00 H new ATOM 0 HD22 LEU A 41 33.315 3.450 31.089 1.00 1.00 H new ATOM 0 HD23 LEU A 41 34.820 3.769 30.195 1.00 1.00 H new ATOM 620 N GLY A 42 32.221 8.159 31.881 1.00 1.00 N ATOM 621 CA GLY A 42 31.627 9.322 32.531 1.00 1.00 C ATOM 622 C GLY A 42 31.921 10.594 31.744 1.00 1.00 C ATOM 623 O GLY A 42 32.551 11.520 32.257 1.00 1.00 O ATOM 0 H GLY A 42 32.639 8.347 30.970 1.00 1.00 H new ATOM 0 HA2 GLY A 42 30.549 9.184 32.618 1.00 1.00 H new ATOM 0 HA3 GLY A 42 32.019 9.417 33.544 1.00 1.00 H new ATOM 627 N THR A 43 31.462 10.632 30.497 1.00 1.00 N ATOM 628 CA THR A 43 31.682 11.797 29.645 1.00 1.00 C ATOM 629 C THR A 43 30.393 12.196 28.932 1.00 1.00 C ATOM 630 O THR A 43 29.889 13.304 29.114 1.00 1.00 O ATOM 631 CB THR A 43 32.767 11.488 28.610 1.00 1.00 C ATOM 632 OG1 THR A 43 32.160 11.225 27.353 1.00 1.00 O ATOM 633 CG2 THR A 43 33.567 10.265 29.058 1.00 1.00 C ATOM 0 H THR A 43 30.939 9.876 30.056 1.00 1.00 H new ATOM 0 HA THR A 43 32.004 12.627 30.274 1.00 1.00 H new ATOM 0 HB THR A 43 33.436 12.344 28.518 1.00 1.00 H new ATOM 0 HG1 THR A 43 32.854 11.028 26.689 1.00 1.00 H new ATOM 0 HG21 THR A 43 34.339 10.045 28.321 1.00 1.00 H new ATOM 0 HG22 THR A 43 34.033 10.468 30.022 1.00 1.00 H new ATOM 0 HG23 THR A 43 32.900 9.408 29.151 1.00 1.00 H new ATOM 641 N THR A 44 29.863 11.286 28.121 1.00 1.00 N ATOM 642 CA THR A 44 28.632 11.558 27.386 1.00 1.00 C ATOM 643 C THR A 44 27.419 11.398 28.296 1.00 1.00 C ATOM 644 O THR A 44 26.380 12.021 28.075 1.00 1.00 O ATOM 645 CB THR A 44 28.511 10.601 26.199 1.00 1.00 C ATOM 646 OG1 THR A 44 29.581 9.666 26.234 1.00 1.00 O ATOM 647 CG2 THR A 44 28.568 11.395 24.892 1.00 1.00 C ATOM 0 H THR A 44 30.262 10.362 27.957 1.00 1.00 H new ATOM 0 HA THR A 44 28.667 12.585 27.023 1.00 1.00 H new ATOM 0 HB THR A 44 27.561 10.069 26.257 1.00 1.00 H new ATOM 0 HG1 THR A 44 30.285 9.951 25.614 1.00 1.00 H new ATOM 0 HG21 THR A 44 28.482 10.712 24.047 1.00 1.00 H new ATOM 0 HG22 THR A 44 27.747 12.111 24.865 1.00 1.00 H new ATOM 0 HG23 THR A 44 29.516 11.929 24.832 1.00 1.00 H new ATOM 655 N GLY A 45 27.559 10.560 29.319 1.00 1.00 N ATOM 656 CA GLY A 45 26.467 10.325 30.256 1.00 1.00 C ATOM 657 C GLY A 45 26.325 8.838 30.561 1.00 1.00 C ATOM 658 O GLY A 45 26.145 8.446 31.714 1.00 1.00 O ATOM 0 H GLY A 45 28.411 10.036 29.519 1.00 1.00 H new ATOM 0 HA2 GLY A 45 26.650 10.874 31.180 1.00 1.00 H new ATOM 0 HA3 GLY A 45 25.535 10.706 29.838 1.00 1.00 H new ATOM 662 N ASN A 46 26.411 8.016 29.519 1.00 1.00 N ATOM 663 CA ASN A 46 26.292 6.572 29.684 1.00 1.00 C ATOM 664 C ASN A 46 25.189 6.233 30.683 1.00 1.00 C ATOM 665 O ASN A 46 25.433 6.154 31.887 1.00 1.00 O ATOM 666 CB ASN A 46 27.621 5.991 30.168 1.00 1.00 C ATOM 667 CG ASN A 46 27.993 6.594 31.518 1.00 1.00 C ATOM 668 OD1 ASN A 46 28.573 7.762 31.564 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 27.748 5.984 32.560 1.00 1.00 N flip ATOM 0 H ASN A 46 26.562 8.323 28.558 1.00 1.00 H new ATOM 0 HA ASN A 46 26.035 6.135 28.719 1.00 1.00 H new ATOM 0 HB2 ASN A 46 27.544 4.907 30.253 1.00 1.00 H new ATOM 0 HB3 ASN A 46 28.405 6.198 29.439 1.00 1.00 H new ATOM 0 HD21 ASN A 46 27.295 5.071 32.522 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.999 6.392 33.461 1.00 1.00 H new ATOM 676 N GLY A 47 23.978 6.035 30.174 1.00 1.00 N ATOM 677 CA GLY A 47 22.845 5.705 31.029 1.00 1.00 C ATOM 678 C GLY A 47 21.561 5.600 30.214 1.00 1.00 C ATOM 679 O GLY A 47 20.918 4.550 30.181 1.00 1.00 O ATOM 0 H GLY A 47 23.757 6.097 29.180 1.00 1.00 H new ATOM 0 HA2 GLY A 47 23.033 4.762 31.541 1.00 1.00 H new ATOM 0 HA3 GLY A 47 22.731 6.468 31.799 1.00 1.00 H new ATOM 683 N LEU A 48 21.196 6.694 29.554 1.00 1.00 N ATOM 684 CA LEU A 48 19.987 6.713 28.738 1.00 1.00 C ATOM 685 C LEU A 48 20.099 7.768 27.641 1.00 1.00 C ATOM 686 O LEU A 48 19.099 8.164 27.043 1.00 1.00 O ATOM 687 CB LEU A 48 18.769 7.011 29.613 1.00 1.00 C ATOM 688 CG LEU A 48 17.509 6.461 28.941 1.00 1.00 C ATOM 689 CD1 LEU A 48 17.237 5.043 29.445 1.00 1.00 C ATOM 690 CD2 LEU A 48 16.316 7.359 29.280 1.00 1.00 C ATOM 0 H LEU A 48 21.715 7.572 29.567 1.00 1.00 H new ATOM 0 HA LEU A 48 19.869 5.733 28.275 1.00 1.00 H new ATOM 0 HB2 LEU A 48 18.896 6.559 30.597 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.672 8.086 29.766 1.00 1.00 H new ATOM 0 HG LEU A 48 17.655 6.441 27.861 1.00 1.00 H new ATOM 0 HD11 LEU A 48 16.339 4.652 28.966 1.00 1.00 H new ATOM 0 HD12 LEU A 48 18.085 4.402 29.204 1.00 1.00 H new ATOM 0 HD13 LEU A 48 17.092 5.062 30.525 1.00 1.00 H new ATOM 0 HD21 LEU A 48 15.418 6.967 28.801 1.00 1.00 H new ATOM 0 HD22 LEU A 48 16.172 7.380 30.360 1.00 1.00 H new ATOM 0 HD23 LEU A 48 16.508 8.370 28.920 1.00 1.00 H new ATOM 702 N VAL A 49 21.323 8.218 27.383 1.00 1.00 N ATOM 703 CA VAL A 49 21.555 9.225 26.355 1.00 1.00 C ATOM 704 C VAL A 49 21.680 8.570 24.984 1.00 1.00 C ATOM 705 O VAL A 49 21.329 9.166 23.965 1.00 1.00 O ATOM 706 CB VAL A 49 22.831 10.007 26.668 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.863 11.290 25.833 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.856 10.368 28.155 1.00 1.00 C ATOM 0 H VAL A 49 22.164 7.904 27.868 1.00 1.00 H new ATOM 0 HA VAL A 49 20.706 9.908 26.343 1.00 1.00 H new ATOM 0 HB VAL A 49 23.700 9.394 26.427 1.00 1.00 H new ATOM 0 HG11 VAL A 49 23.773 11.847 26.057 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.845 11.035 24.773 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.994 11.903 26.074 1.00 1.00 H new ATOM 0 HG21 VAL A 49 23.765 10.926 28.379 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.987 10.980 28.395 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.834 9.456 28.751 1.00 1.00 H new ATOM 718 N LEU A 50 22.181 7.339 24.966 1.00 1.00 N ATOM 719 CA LEU A 50 22.346 6.611 23.714 1.00 1.00 C ATOM 720 C LEU A 50 20.996 6.119 23.201 1.00 1.00 C ATOM 721 O LEU A 50 20.899 5.574 22.102 1.00 1.00 O ATOM 722 CB LEU A 50 23.278 5.415 23.922 1.00 1.00 C ATOM 723 CG LEU A 50 24.394 5.799 24.894 1.00 1.00 C ATOM 724 CD1 LEU A 50 25.427 4.673 24.955 1.00 1.00 C ATOM 725 CD2 LEU A 50 25.070 7.084 24.412 1.00 1.00 C ATOM 0 H LEU A 50 22.478 6.828 25.798 1.00 1.00 H new ATOM 0 HA LEU A 50 22.781 7.287 22.978 1.00 1.00 H new ATOM 0 HB2 LEU A 50 22.716 4.567 24.314 1.00 1.00 H new ATOM 0 HB3 LEU A 50 23.704 5.102 22.969 1.00 1.00 H new ATOM 0 HG LEU A 50 23.972 5.960 25.886 1.00 1.00 H new ATOM 0 HD11 LEU A 50 26.223 4.946 25.648 1.00 1.00 H new ATOM 0 HD12 LEU A 50 24.946 3.757 25.298 1.00 1.00 H new ATOM 0 HD13 LEU A 50 25.849 4.512 23.963 1.00 1.00 H new ATOM 0 HD21 LEU A 50 25.866 7.358 25.105 1.00 1.00 H new ATOM 0 HD22 LEU A 50 25.492 6.923 23.420 1.00 1.00 H new ATOM 0 HD23 LEU A 50 24.335 7.887 24.368 1.00 1.00 H new ATOM 737 N TRP A 51 19.958 6.318 24.007 1.00 1.00 N ATOM 738 CA TRP A 51 18.617 5.893 23.630 1.00 1.00 C ATOM 739 C TRP A 51 18.049 6.812 22.553 1.00 1.00 C ATOM 740 O TRP A 51 17.480 6.350 21.565 1.00 1.00 O ATOM 741 CB TRP A 51 17.705 5.908 24.859 1.00 1.00 C ATOM 742 CG TRP A 51 16.318 6.293 24.457 1.00 1.00 C ATOM 743 CD1 TRP A 51 15.883 7.562 24.280 1.00 1.00 C ATOM 744 CD2 TRP A 51 15.179 5.428 24.180 1.00 1.00 C ATOM 745 NE1 TRP A 51 14.550 7.531 23.915 1.00 1.00 N ATOM 746 CE2 TRP A 51 14.070 6.238 23.839 1.00 1.00 C ATOM 747 CE3 TRP A 51 15.001 4.032 24.194 1.00 1.00 C ATOM 748 CZ2 TRP A 51 12.829 5.684 23.521 1.00 1.00 C ATOM 749 CZ3 TRP A 51 13.753 3.472 23.874 1.00 1.00 C ATOM 750 CH2 TRP A 51 12.670 4.296 23.539 1.00 1.00 C ATOM 0 H TRP A 51 20.020 6.768 24.920 1.00 1.00 H new ATOM 0 HA TRP A 51 18.670 4.880 23.231 1.00 1.00 H new ATOM 0 HB2 TRP A 51 17.697 4.925 25.329 1.00 1.00 H new ATOM 0 HB3 TRP A 51 18.088 6.612 25.598 1.00 1.00 H new ATOM 0 HD1 TRP A 51 16.480 8.454 24.404 1.00 1.00 H new ATOM 0 HE1 TRP A 51 13.989 8.362 23.725 1.00 1.00 H new ATOM 0 HE3 TRP A 51 15.828 3.388 24.452 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 11.998 6.323 23.263 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 13.627 2.399 23.886 1.00 1.00 H new ATOM 0 HH2 TRP A 51 11.713 3.858 23.295 1.00 1.00 H new ATOM 761 N THR A 52 18.208 8.116 22.754 1.00 1.00 N ATOM 762 CA THR A 52 17.708 9.094 21.794 1.00 1.00 C ATOM 763 C THR A 52 18.439 8.958 20.462 1.00 1.00 C ATOM 764 O THR A 52 17.831 9.054 19.396 1.00 1.00 O ATOM 765 CB THR A 52 17.901 10.509 22.343 1.00 1.00 C ATOM 766 OG1 THR A 52 16.846 10.812 23.245 1.00 1.00 O ATOM 767 CG2 THR A 52 17.892 11.513 21.189 1.00 1.00 C ATOM 0 H THR A 52 18.675 8.518 23.567 1.00 1.00 H new ATOM 0 HA THR A 52 16.646 8.909 21.633 1.00 1.00 H new ATOM 0 HB THR A 52 18.856 10.569 22.865 1.00 1.00 H new ATOM 0 HG1 THR A 52 16.968 11.717 23.599 1.00 1.00 H new ATOM 0 HG21 THR A 52 18.030 12.520 21.582 1.00 1.00 H new ATOM 0 HG22 THR A 52 18.702 11.280 20.497 1.00 1.00 H new ATOM 0 HG23 THR A 52 16.938 11.455 20.664 1.00 1.00 H new ATOM 775 N VAL A 53 19.747 8.731 20.532 1.00 1.00 N ATOM 776 CA VAL A 53 20.552 8.583 19.324 1.00 1.00 C ATOM 777 C VAL A 53 20.234 7.263 18.629 1.00 1.00 C ATOM 778 O VAL A 53 20.221 7.184 17.401 1.00 1.00 O ATOM 779 CB VAL A 53 22.038 8.630 19.679 1.00 1.00 C ATOM 780 CG1 VAL A 53 22.868 8.707 18.396 1.00 1.00 C ATOM 781 CG2 VAL A 53 22.318 9.864 20.540 1.00 1.00 C ATOM 0 H VAL A 53 20.269 8.646 21.404 1.00 1.00 H new ATOM 0 HA VAL A 53 20.315 9.404 18.647 1.00 1.00 H new ATOM 0 HB VAL A 53 22.307 7.730 20.233 1.00 1.00 H new ATOM 0 HG11 VAL A 53 23.928 8.741 18.650 1.00 1.00 H new ATOM 0 HG12 VAL A 53 22.670 7.829 17.781 1.00 1.00 H new ATOM 0 HG13 VAL A 53 22.599 9.606 17.842 1.00 1.00 H new ATOM 0 HG21 VAL A 53 23.378 9.898 20.793 1.00 1.00 H new ATOM 0 HG22 VAL A 53 22.048 10.763 19.986 1.00 1.00 H new ATOM 0 HG23 VAL A 53 21.728 9.811 21.455 1.00 1.00 H new ATOM 791 N PHE A 54 19.978 6.229 19.425 1.00 1.00 N ATOM 792 CA PHE A 54 19.660 4.916 18.874 1.00 1.00 C ATOM 793 C PHE A 54 18.208 4.866 18.413 1.00 1.00 C ATOM 794 O PHE A 54 17.779 3.899 17.784 1.00 1.00 O ATOM 795 CB PHE A 54 19.900 3.836 19.931 1.00 1.00 C ATOM 796 CG PHE A 54 19.243 2.548 19.494 1.00 1.00 C ATOM 797 CD1 PHE A 54 19.777 1.819 18.424 1.00 1.00 C ATOM 798 CD2 PHE A 54 18.100 2.084 20.156 1.00 1.00 C ATOM 799 CE1 PHE A 54 19.168 0.626 18.018 1.00 1.00 C ATOM 800 CE2 PHE A 54 17.492 0.890 19.750 1.00 1.00 C ATOM 801 CZ PHE A 54 18.025 0.162 18.681 1.00 1.00 C ATOM 0 H PHE A 54 19.984 6.273 20.444 1.00 1.00 H new ATOM 0 HA PHE A 54 20.307 4.735 18.016 1.00 1.00 H new ATOM 0 HB2 PHE A 54 20.970 3.681 20.072 1.00 1.00 H new ATOM 0 HB3 PHE A 54 19.495 4.156 20.891 1.00 1.00 H new ATOM 0 HD1 PHE A 54 20.658 2.177 17.912 1.00 1.00 H new ATOM 0 HD2 PHE A 54 17.687 2.647 20.980 1.00 1.00 H new ATOM 0 HE1 PHE A 54 19.580 0.063 17.193 1.00 1.00 H new ATOM 0 HE2 PHE A 54 16.612 0.531 20.262 1.00 1.00 H new ATOM 0 HZ PHE A 54 17.555 -0.758 18.367 1.00 1.00 H new ATOM 811 N ARG A 55 17.455 5.915 18.729 1.00 1.00 N ATOM 812 CA ARG A 55 16.050 5.980 18.341 1.00 1.00 C ATOM 813 C ARG A 55 15.911 6.533 16.927 1.00 1.00 C ATOM 814 O ARG A 55 15.443 5.841 16.021 1.00 1.00 O ATOM 815 CB ARG A 55 15.280 6.871 19.318 1.00 1.00 C ATOM 816 CG ARG A 55 14.238 6.033 20.064 1.00 1.00 C ATOM 817 CD ARG A 55 13.178 5.538 19.078 1.00 1.00 C ATOM 818 NE ARG A 55 13.099 4.082 19.110 1.00 1.00 N ATOM 819 CZ ARG A 55 12.354 3.453 20.014 1.00 1.00 C ATOM 820 NH1 ARG A 55 11.680 4.140 20.896 1.00 1.00 N ATOM 821 NH2 ARG A 55 12.298 2.151 20.020 1.00 1.00 N ATOM 0 H ARG A 55 17.791 6.726 19.249 1.00 1.00 H new ATOM 0 HA ARG A 55 15.637 4.972 18.367 1.00 1.00 H new ATOM 0 HB2 ARG A 55 15.968 7.330 20.028 1.00 1.00 H new ATOM 0 HB3 ARG A 55 14.791 7.682 18.778 1.00 1.00 H new ATOM 0 HG2 ARG A 55 14.719 5.186 20.552 1.00 1.00 H new ATOM 0 HG3 ARG A 55 13.770 6.629 20.848 1.00 1.00 H new ATOM 0 HD2 ARG A 55 12.208 5.967 19.330 1.00 1.00 H new ATOM 0 HD3 ARG A 55 13.423 5.874 18.070 1.00 1.00 H new ATOM 0 HE ARG A 55 13.625 3.537 18.427 1.00 1.00 H new ATOM 0 HH11 ARG A 55 11.725 5.159 20.891 1.00 1.00 H new ATOM 0 HH12 ARG A 55 11.108 3.658 21.590 1.00 1.00 H new ATOM 0 HH21 ARG A 55 12.826 1.615 19.331 1.00 1.00 H new ATOM 0 HH22 ARG A 55 11.727 1.668 20.713 1.00 1.00 H new ATOM 835 N LYS A 56 16.319 7.785 16.742 1.00 1.00 N ATOM 836 CA LYS A 56 16.235 8.421 15.433 1.00 1.00 C ATOM 837 C LYS A 56 16.881 7.542 14.368 1.00 1.00 C ATOM 838 O LYS A 56 16.372 7.426 13.253 1.00 1.00 O ATOM 839 CB LYS A 56 16.933 9.781 15.468 1.00 1.00 C ATOM 840 CG LYS A 56 18.448 9.578 15.529 1.00 1.00 C ATOM 841 CD LYS A 56 19.114 10.848 16.061 1.00 1.00 C ATOM 842 CE LYS A 56 20.633 10.719 15.937 1.00 1.00 C ATOM 843 NZ LYS A 56 21.095 11.439 14.716 1.00 1.00 N ATOM 0 H LYS A 56 16.708 8.375 17.477 1.00 1.00 H new ATOM 0 HA LYS A 56 15.183 8.559 15.184 1.00 1.00 H new ATOM 0 HB2 LYS A 56 16.669 10.360 14.583 1.00 1.00 H new ATOM 0 HB3 LYS A 56 16.597 10.351 16.334 1.00 1.00 H new ATOM 0 HG2 LYS A 56 18.686 8.732 16.174 1.00 1.00 H new ATOM 0 HG3 LYS A 56 18.834 9.341 14.537 1.00 1.00 H new ATOM 0 HD2 LYS A 56 18.765 11.716 15.501 1.00 1.00 H new ATOM 0 HD3 LYS A 56 18.836 11.008 17.103 1.00 1.00 H new ATOM 0 HE2 LYS A 56 21.117 11.133 16.821 1.00 1.00 H new ATOM 0 HE3 LYS A 56 20.916 9.668 15.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 22.128 11.352 14.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 20.642 11.024 13.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 20.837 12.444 14.787 1.00 1.00 H new ATOM 857 N LYS A 57 18.005 6.925 14.718 1.00 1.00 N ATOM 858 CA LYS A 57 18.712 6.058 13.783 1.00 1.00 C ATOM 859 C LYS A 57 17.989 4.723 13.638 1.00 1.00 C ATOM 860 O LYS A 57 18.483 3.686 14.082 1.00 1.00 O ATOM 861 CB LYS A 57 20.142 5.816 14.273 1.00 1.00 C ATOM 862 CG LYS A 57 21.045 6.955 13.796 1.00 1.00 C ATOM 863 CD LYS A 57 22.251 7.077 14.730 1.00 1.00 C ATOM 864 CE LYS A 57 23.263 8.056 14.134 1.00 1.00 C ATOM 865 NZ LYS A 57 24.420 7.299 13.579 1.00 1.00 N ATOM 0 H LYS A 57 18.443 7.008 15.635 1.00 1.00 H new ATOM 0 HA LYS A 57 18.740 6.550 12.811 1.00 1.00 H new ATOM 0 HB2 LYS A 57 20.159 5.755 15.361 1.00 1.00 H new ATOM 0 HB3 LYS A 57 20.511 4.863 13.895 1.00 1.00 H new ATOM 0 HG2 LYS A 57 21.379 6.765 12.776 1.00 1.00 H new ATOM 0 HG3 LYS A 57 20.488 7.892 13.780 1.00 1.00 H new ATOM 0 HD2 LYS A 57 21.930 7.423 15.712 1.00 1.00 H new ATOM 0 HD3 LYS A 57 22.714 6.101 14.872 1.00 1.00 H new ATOM 0 HE2 LYS A 57 22.793 8.649 13.349 1.00 1.00 H new ATOM 0 HE3 LYS A 57 23.604 8.753 14.899 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 25.108 7.965 13.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 24.873 6.752 14.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 24.087 6.651 12.837 1.00 1.00 H new ATOM 879 N GLY A 58 16.816 4.756 13.015 1.00 1.00 N ATOM 880 CA GLY A 58 16.031 3.543 12.818 1.00 1.00 C ATOM 881 C GLY A 58 16.684 2.635 11.781 1.00 1.00 C ATOM 882 O GLY A 58 17.834 2.225 11.938 1.00 1.00 O ATOM 0 H GLY A 58 16.390 5.604 12.640 1.00 1.00 H new ATOM 0 HA2 GLY A 58 15.934 3.010 13.764 1.00 1.00 H new ATOM 0 HA3 GLY A 58 15.024 3.805 12.495 1.00 1.00 H new ATOM 886 N HIS A 59 15.942 2.325 10.723 1.00 1.00 N ATOM 887 CA HIS A 59 16.460 1.464 9.666 1.00 1.00 C ATOM 888 C HIS A 59 16.954 2.299 8.489 1.00 1.00 C ATOM 889 O HIS A 59 18.158 2.460 8.292 1.00 1.00 O ATOM 890 CB HIS A 59 15.366 0.506 9.191 1.00 1.00 C ATOM 891 CG HIS A 59 14.727 -0.155 10.380 1.00 1.00 C ATOM 892 ND1 HIS A 59 13.452 -0.698 10.329 1.00 1.00 N ATOM 893 CD2 HIS A 59 15.173 -0.370 11.661 1.00 1.00 C ATOM 894 CE1 HIS A 59 13.178 -1.208 11.544 1.00 1.00 C ATOM 895 NE2 HIS A 59 14.194 -1.034 12.393 1.00 1.00 N ATOM 0 H HIS A 59 14.988 2.654 10.575 1.00 1.00 H new ATOM 0 HA HIS A 59 17.296 0.891 10.066 1.00 1.00 H new ATOM 0 HB2 HIS A 59 14.616 1.050 8.617 1.00 1.00 H new ATOM 0 HB3 HIS A 59 15.791 -0.247 8.527 1.00 1.00 H new ATOM 0 HD2 HIS A 59 16.138 -0.069 12.042 1.00 1.00 H new ATOM 0 HE1 HIS A 59 12.250 -1.698 11.801 1.00 1.00 H new ATOM 0 HE2 HIS A 59 14.242 -1.326 13.369 1.00 1.00 H new ATOM 903 N HIS A 60 16.016 2.827 7.710 1.00 1.00 N ATOM 904 CA HIS A 60 16.368 3.644 6.554 1.00 1.00 C ATOM 905 C HIS A 60 17.227 4.831 6.979 1.00 1.00 C ATOM 906 O HIS A 60 17.585 4.965 8.149 1.00 1.00 O ATOM 907 CB HIS A 60 15.098 4.151 5.866 1.00 1.00 C ATOM 908 CG HIS A 60 14.594 3.104 4.912 1.00 1.00 C ATOM 909 ND1 HIS A 60 13.712 2.111 5.304 1.00 1.00 N ATOM 910 CD2 HIS A 60 14.838 2.884 3.579 1.00 1.00 C ATOM 911 CE1 HIS A 60 13.458 1.344 4.227 1.00 1.00 C ATOM 912 NE2 HIS A 60 14.120 1.772 3.149 1.00 1.00 N ATOM 0 H HIS A 60 15.014 2.705 7.856 1.00 1.00 H new ATOM 0 HA HIS A 60 16.937 3.029 5.857 1.00 1.00 H new ATOM 0 HB2 HIS A 60 14.334 4.378 6.610 1.00 1.00 H new ATOM 0 HB3 HIS A 60 15.307 5.077 5.330 1.00 1.00 H new ATOM 0 HD2 HIS A 60 15.488 3.483 2.958 1.00 1.00 H new ATOM 0 HE1 HIS A 60 12.800 0.488 4.234 1.00 1.00 H new ATOM 0 HE2 HIS A 60 14.103 1.370 2.212 1.00 1.00 H new ATOM 920 N HIS A 61 17.555 5.691 6.020 1.00 1.00 N ATOM 921 CA HIS A 61 18.373 6.864 6.306 1.00 1.00 C ATOM 922 C HIS A 61 17.502 8.113 6.408 1.00 1.00 C ATOM 923 O HIS A 61 16.373 8.134 5.920 1.00 1.00 O ATOM 924 CB HIS A 61 19.416 7.056 5.203 1.00 1.00 C ATOM 925 CG HIS A 61 20.521 6.052 5.379 1.00 1.00 C ATOM 926 ND1 HIS A 61 21.826 6.432 5.655 1.00 1.00 N ATOM 927 CD2 HIS A 61 20.534 4.681 5.321 1.00 1.00 C ATOM 928 CE1 HIS A 61 22.563 5.310 5.751 1.00 1.00 C ATOM 929 NE2 HIS A 61 21.824 4.214 5.557 1.00 1.00 N ATOM 0 H HIS A 61 17.269 5.599 5.045 1.00 1.00 H new ATOM 0 HA HIS A 61 18.878 6.707 7.259 1.00 1.00 H new ATOM 0 HB2 HIS A 61 18.952 6.935 4.224 1.00 1.00 H new ATOM 0 HB3 HIS A 61 19.820 8.068 5.241 1.00 1.00 H new ATOM 0 HD2 HIS A 61 19.674 4.059 5.122 1.00 1.00 H new ATOM 0 HE1 HIS A 61 23.623 5.297 5.959 1.00 1.00 H new ATOM 0 HE2 HIS A 61 22.138 3.244 5.577 1.00 1.00 H new ATOM 937 N HIS A 62 18.036 9.150 7.045 1.00 1.00 N ATOM 938 CA HIS A 62 17.299 10.399 7.205 1.00 1.00 C ATOM 939 C HIS A 62 15.839 10.119 7.549 1.00 1.00 C ATOM 940 O HIS A 62 15.484 9.007 7.938 1.00 1.00 O ATOM 941 CB HIS A 62 17.375 11.219 5.917 1.00 1.00 C ATOM 942 CG HIS A 62 16.380 10.686 4.922 1.00 1.00 C ATOM 943 ND1 HIS A 62 15.051 11.079 4.925 1.00 1.00 N ATOM 944 CD2 HIS A 62 16.504 9.791 3.889 1.00 1.00 C ATOM 945 CE1 HIS A 62 14.434 10.428 3.922 1.00 1.00 C ATOM 946 NE2 HIS A 62 15.275 9.630 3.258 1.00 1.00 N ATOM 0 H HIS A 62 18.969 9.151 7.456 1.00 1.00 H new ATOM 0 HA HIS A 62 17.750 10.964 8.021 1.00 1.00 H new ATOM 0 HB2 HIS A 62 17.167 12.268 6.129 1.00 1.00 H new ATOM 0 HB3 HIS A 62 18.382 11.171 5.502 1.00 1.00 H new ATOM 0 HD2 HIS A 62 17.418 9.288 3.609 1.00 1.00 H new ATOM 0 HE1 HIS A 62 13.386 10.537 3.683 1.00 1.00 H new ATOM 0 HE2 HIS A 62 15.062 9.032 2.460 1.00 1.00 H new ATOM 954 N HIS A 63 14.997 11.138 7.404 1.00 1.00 N ATOM 955 CA HIS A 63 13.578 10.990 7.701 1.00 1.00 C ATOM 956 C HIS A 63 13.040 9.688 7.117 1.00 1.00 C ATOM 957 O HIS A 63 12.756 9.603 5.922 1.00 1.00 O ATOM 958 CB HIS A 63 12.797 12.172 7.123 1.00 1.00 C ATOM 959 CG HIS A 63 11.428 12.220 7.742 1.00 1.00 C ATOM 960 ND1 HIS A 63 10.591 13.316 7.602 1.00 1.00 N ATOM 961 CD2 HIS A 63 10.734 11.315 8.507 1.00 1.00 C ATOM 962 CE1 HIS A 63 9.452 13.045 8.267 1.00 1.00 C ATOM 963 NE2 HIS A 63 9.487 11.839 8.837 1.00 1.00 N ATOM 0 H HIS A 63 15.271 12.067 7.085 1.00 1.00 H new ATOM 0 HA HIS A 63 13.454 10.967 8.784 1.00 1.00 H new ATOM 0 HB2 HIS A 63 13.329 13.103 7.318 1.00 1.00 H new ATOM 0 HB3 HIS A 63 12.715 12.073 6.041 1.00 1.00 H new ATOM 0 HD2 HIS A 63 11.100 10.344 8.807 1.00 1.00 H new ATOM 0 HE1 HIS A 63 8.612 13.721 8.331 1.00 1.00 H new ATOM 0 HE2 HIS A 63 8.757 11.396 9.395 1.00 1.00 H new ATOM 971 N HIS A 64 12.902 8.677 7.968 1.00 1.00 N ATOM 972 CA HIS A 64 12.396 7.382 7.524 1.00 1.00 C ATOM 973 C HIS A 64 11.024 7.536 6.876 1.00 1.00 C ATOM 974 O HIS A 64 10.601 6.610 6.204 1.00 1.00 O ATOM 975 CB HIS A 64 12.298 6.425 8.713 1.00 1.00 C ATOM 976 CG HIS A 64 11.385 7.012 9.755 1.00 1.00 C ATOM 977 ND1 HIS A 64 10.011 7.069 9.586 1.00 1.00 N ATOM 978 CD2 HIS A 64 11.635 7.571 10.983 1.00 1.00 C ATOM 979 CE1 HIS A 64 9.491 7.645 10.686 1.00 1.00 C ATOM 980 NE2 HIS A 64 10.438 7.970 11.569 1.00 1.00 N ATOM 981 OXT HIS A 64 10.417 8.578 7.061 1.00 1.00 O ATOM 0 H HIS A 64 13.131 8.727 8.961 1.00 1.00 H new ATOM 0 HA HIS A 64 13.088 6.975 6.787 1.00 1.00 H new ATOM 0 HB2 HIS A 64 11.918 5.458 8.385 1.00 1.00 H new ATOM 0 HB3 HIS A 64 13.287 6.252 9.137 1.00 1.00 H new ATOM 0 HD1 HIS A 64 9.489 6.735 8.776 1.00 1.00 H new ATOM 0 HD2 HIS A 64 12.613 7.684 11.427 1.00 1.00 H new ATOM 0 HE1 HIS A 64 8.436 7.823 10.836 1.00 1.00 H new TER 989 HIS A 64