USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 42 CYS SG : rot -17:sc= 0.00355 USER MOD Set 1.2: A 46 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.3!) USER MOD Single : A 1 GLU N :NH3+ -137:sc= 0.0468 (180deg=-0.595) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.203) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 90:sc= 0.00739 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.67) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.528 K(o=-0.53,f=-2.3!) USER MOD Single : A 37 SER OG : rot 75:sc= 0.72 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.809 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0044) USER MOD Single : A 45 ASN : amide:sc= -3.37! C(o=-3.4!,f=-3.3!) USER MOD Single : A 47 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.2!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 87:sc= 0.461 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00481 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 14.938 -28.607 -8.793 1.00 0.00 N ATOM 2 CA GLU A 1 15.702 -29.330 -7.738 1.00 0.00 C ATOM 3 C GLU A 1 15.189 -28.914 -6.364 1.00 0.00 C ATOM 4 O GLU A 1 14.108 -28.336 -6.243 1.00 0.00 O ATOM 5 CB GLU A 1 17.188 -28.989 -7.866 1.00 0.00 C ATOM 6 CG GLU A 1 17.705 -29.453 -9.228 1.00 0.00 C ATOM 7 CD GLU A 1 19.202 -29.184 -9.339 1.00 0.00 C ATOM 8 OE1 GLU A 1 19.730 -28.517 -8.464 1.00 0.00 O ATOM 9 OE2 GLU A 1 19.799 -29.648 -10.295 1.00 0.00 O ATOM 0 H1 GLU A 1 14.699 -29.266 -9.561 1.00 0.00 H new ATOM 0 H2 GLU A 1 14.064 -28.219 -8.384 1.00 0.00 H new ATOM 0 H3 GLU A 1 15.518 -27.831 -9.171 1.00 0.00 H new ATOM 0 HA GLU A 1 15.568 -30.405 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 1 17.336 -27.915 -7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 1 17.752 -29.471 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 1 17.508 -30.517 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 1 17.174 -28.932 -10.024 1.00 0.00 H new ATOM 18 N SER A 2 15.970 -29.212 -5.331 1.00 0.00 N ATOM 19 CA SER A 2 15.584 -28.863 -3.969 1.00 0.00 C ATOM 20 C SER A 2 14.210 -29.437 -3.634 1.00 0.00 C ATOM 21 O SER A 2 13.289 -28.700 -3.281 1.00 0.00 O ATOM 22 CB SER A 2 15.555 -27.343 -3.810 1.00 0.00 C ATOM 23 OG SER A 2 16.632 -26.773 -4.543 1.00 0.00 O ATOM 0 H SER A 2 16.867 -29.691 -5.410 1.00 0.00 H new ATOM 0 HA SER A 2 16.318 -29.288 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.605 -26.946 -4.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.635 -27.074 -2.757 1.00 0.00 H new ATOM 0 HG SER A 2 16.615 -25.798 -4.444 1.00 0.00 H new ATOM 29 N PRO A 3 14.058 -30.730 -3.738 1.00 0.00 N ATOM 30 CA PRO A 3 12.767 -31.416 -3.440 1.00 0.00 C ATOM 31 C PRO A 3 12.447 -31.414 -1.948 1.00 0.00 C ATOM 32 O PRO A 3 11.322 -31.712 -1.544 1.00 0.00 O ATOM 33 CB PRO A 3 12.983 -32.843 -3.951 1.00 0.00 C ATOM 34 CG PRO A 3 14.460 -33.053 -3.938 1.00 0.00 C ATOM 35 CD PRO A 3 15.103 -31.682 -4.153 1.00 0.00 C ATOM 0 HA PRO A 3 11.921 -30.916 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.478 -33.569 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.578 -32.965 -4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.781 -33.486 -2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.759 -33.748 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 3 16.008 -31.567 -3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.388 -31.533 -5.195 1.00 0.00 H new ATOM 43 N LYS A 4 13.442 -31.080 -1.133 1.00 0.00 N ATOM 44 CA LYS A 4 13.256 -31.046 0.313 1.00 0.00 C ATOM 45 C LYS A 4 12.454 -29.814 0.722 1.00 0.00 C ATOM 46 O LYS A 4 12.109 -29.647 1.892 1.00 0.00 O ATOM 47 CB LYS A 4 14.615 -31.027 1.014 1.00 0.00 C ATOM 48 CG LYS A 4 15.500 -32.144 0.455 1.00 0.00 C ATOM 49 CD LYS A 4 14.857 -33.505 0.734 1.00 0.00 C ATOM 50 CE LYS A 4 15.929 -34.594 0.687 1.00 0.00 C ATOM 51 NZ LYS A 4 16.596 -34.578 -0.646 1.00 0.00 N ATOM 0 H LYS A 4 14.380 -30.830 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 4 12.706 -31.939 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.097 -30.060 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.483 -31.158 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.637 -32.009 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 4 16.489 -32.099 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.374 -33.497 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.082 -33.711 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.664 -34.430 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.479 -35.570 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.134 -35.458 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.877 -34.499 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.243 -33.766 -0.701 1.00 0.00 H new ATOM 65 N GLU A 5 12.162 -28.954 -0.248 1.00 0.00 N ATOM 66 CA GLU A 5 11.401 -27.740 0.025 1.00 0.00 C ATOM 67 C GLU A 5 9.935 -28.074 0.287 1.00 0.00 C ATOM 68 O GLU A 5 9.416 -29.070 -0.218 1.00 0.00 O ATOM 69 CB GLU A 5 11.505 -26.780 -1.162 1.00 0.00 C ATOM 70 CG GLU A 5 12.964 -26.368 -1.363 1.00 0.00 C ATOM 71 CD GLU A 5 13.438 -25.525 -0.185 1.00 0.00 C ATOM 72 OE1 GLU A 5 12.592 -25.046 0.554 1.00 0.00 O ATOM 73 OE2 GLU A 5 14.638 -25.367 -0.038 1.00 0.00 O ATOM 0 H GLU A 5 12.438 -29.073 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 5 11.817 -27.264 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.124 -27.259 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.889 -25.898 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.590 -27.255 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.066 -25.802 -2.289 1.00 0.00 H new ATOM 80 N HIS A 6 9.275 -27.234 1.077 1.00 0.00 N ATOM 81 CA HIS A 6 7.869 -27.449 1.400 1.00 0.00 C ATOM 82 C HIS A 6 6.973 -26.735 0.391 1.00 0.00 C ATOM 83 O HIS A 6 7.284 -25.633 -0.059 1.00 0.00 O ATOM 84 CB HIS A 6 7.570 -26.929 2.806 1.00 0.00 C ATOM 85 CG HIS A 6 8.274 -27.789 3.820 1.00 0.00 C ATOM 86 ND1 HIS A 6 7.730 -28.974 4.288 1.00 0.00 N ATOM 87 CD2 HIS A 6 9.480 -27.650 4.462 1.00 0.00 C ATOM 88 CE1 HIS A 6 8.598 -29.497 5.173 1.00 0.00 C ATOM 89 NE2 HIS A 6 9.682 -28.729 5.315 1.00 0.00 N ATOM 0 H HIS A 6 9.687 -26.404 1.503 1.00 0.00 H new ATOM 0 HA HIS A 6 7.666 -28.519 1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.899 -25.894 2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.495 -26.939 2.988 1.00 0.00 H new ATOM 0 HD2 HIS A 6 10.167 -26.828 4.325 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.438 -30.424 5.704 1.00 0.00 H new ATOM 0 HE2 HIS A 6 10.486 -28.898 5.920 1.00 0.00 H new ATOM 98 N ASP A 7 5.861 -27.373 0.040 1.00 0.00 N ATOM 99 CA ASP A 7 4.928 -26.790 -0.917 1.00 0.00 C ATOM 100 C ASP A 7 4.022 -25.769 -0.229 1.00 0.00 C ATOM 101 O ASP A 7 3.903 -25.761 0.996 1.00 0.00 O ATOM 102 CB ASP A 7 4.075 -27.892 -1.550 1.00 0.00 C ATOM 103 CG ASP A 7 4.390 -29.233 -0.899 1.00 0.00 C ATOM 104 OD1 ASP A 7 5.541 -29.636 -0.944 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.476 -29.840 -0.365 1.00 0.00 O ATOM 0 H ASP A 7 5.586 -28.287 0.401 1.00 0.00 H new ATOM 0 HA ASP A 7 5.500 -26.283 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.017 -27.659 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.269 -27.944 -2.621 1.00 0.00 H new ATOM 110 N PRO A 8 3.386 -24.913 -0.990 1.00 0.00 N ATOM 111 CA PRO A 8 2.473 -23.870 -0.437 1.00 0.00 C ATOM 112 C PRO A 8 1.196 -24.471 0.146 1.00 0.00 C ATOM 113 O PRO A 8 0.492 -23.824 0.922 1.00 0.00 O ATOM 114 CB PRO A 8 2.155 -22.981 -1.642 1.00 0.00 C ATOM 115 CG PRO A 8 2.384 -23.837 -2.842 1.00 0.00 C ATOM 116 CD PRO A 8 3.464 -24.848 -2.459 1.00 0.00 C ATOM 0 HA PRO A 8 2.933 -23.326 0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.126 -22.624 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.797 -22.100 -1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.465 -24.345 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.702 -23.234 -3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.278 -25.822 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.450 -24.524 -2.792 1.00 0.00 H new ATOM 124 N PHE A 9 0.903 -25.710 -0.234 1.00 0.00 N ATOM 125 CA PHE A 9 -0.291 -26.389 0.255 1.00 0.00 C ATOM 126 C PHE A 9 -0.348 -26.352 1.779 1.00 0.00 C ATOM 127 O PHE A 9 -1.425 -26.266 2.368 1.00 0.00 O ATOM 128 CB PHE A 9 -0.296 -27.843 -0.219 1.00 0.00 C ATOM 129 CG PHE A 9 -1.584 -28.508 0.209 1.00 0.00 C ATOM 130 CD1 PHE A 9 -2.731 -28.385 -0.584 1.00 0.00 C ATOM 131 CD2 PHE A 9 -1.629 -29.248 1.397 1.00 0.00 C ATOM 132 CE1 PHE A 9 -3.924 -29.002 -0.189 1.00 0.00 C ATOM 133 CE2 PHE A 9 -2.823 -29.865 1.792 1.00 0.00 C ATOM 134 CZ PHE A 9 -3.970 -29.742 0.999 1.00 0.00 C ATOM 0 H PHE A 9 1.472 -26.262 -0.876 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.165 -25.872 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.196 -27.883 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.558 -28.376 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.696 -27.814 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.744 -29.343 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.809 -28.907 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.859 -30.436 2.708 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.890 -30.218 1.303 1.00 0.00 H new ATOM 144 N THR A 10 0.819 -26.420 2.411 1.00 0.00 N ATOM 145 CA THR A 10 0.892 -26.398 3.867 1.00 0.00 C ATOM 146 C THR A 10 0.174 -25.172 4.425 1.00 0.00 C ATOM 147 O THR A 10 -0.458 -25.245 5.479 1.00 0.00 O ATOM 148 CB THR A 10 2.355 -26.383 4.314 1.00 0.00 C ATOM 149 OG1 THR A 10 3.051 -27.452 3.690 1.00 0.00 O ATOM 150 CG2 THR A 10 2.431 -26.542 5.834 1.00 0.00 C ATOM 0 H THR A 10 1.722 -26.490 1.941 1.00 0.00 H new ATOM 0 HA THR A 10 0.403 -27.294 4.250 1.00 0.00 H new ATOM 0 HB THR A 10 2.811 -25.435 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.418 -27.148 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.474 -26.531 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.898 -25.720 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.974 -27.488 6.124 1.00 0.00 H new ATOM 158 N TYR A 11 0.279 -24.052 3.711 1.00 0.00 N ATOM 159 CA TYR A 11 -0.359 -22.809 4.142 1.00 0.00 C ATOM 160 C TYR A 11 -1.513 -22.437 3.216 1.00 0.00 C ATOM 161 O TYR A 11 -1.369 -22.447 1.994 1.00 0.00 O ATOM 162 CB TYR A 11 0.667 -21.675 4.153 1.00 0.00 C ATOM 163 CG TYR A 11 1.342 -21.619 5.503 1.00 0.00 C ATOM 164 CD1 TYR A 11 2.023 -22.742 5.988 1.00 0.00 C ATOM 165 CD2 TYR A 11 1.290 -20.447 6.272 1.00 0.00 C ATOM 166 CE1 TYR A 11 2.651 -22.695 7.238 1.00 0.00 C ATOM 167 CE2 TYR A 11 1.918 -20.403 7.522 1.00 0.00 C ATOM 168 CZ TYR A 11 2.599 -21.526 8.004 1.00 0.00 C ATOM 169 OH TYR A 11 3.218 -21.478 9.236 1.00 0.00 O ATOM 0 H TYR A 11 0.797 -23.980 2.835 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.753 -22.961 5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.409 -21.834 3.370 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.177 -20.725 3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.064 -23.645 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.766 -19.579 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.176 -23.562 7.611 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.877 -19.501 8.115 1.00 0.00 H new ATOM 0 HH TYR A 11 3.086 -20.592 9.634 1.00 0.00 H new ATOM 179 N ASP A 12 -2.655 -22.102 3.809 1.00 0.00 N ATOM 180 CA ASP A 12 -3.827 -21.719 3.029 1.00 0.00 C ATOM 181 C ASP A 12 -3.962 -20.199 2.985 1.00 0.00 C ATOM 182 O ASP A 12 -4.959 -19.667 2.494 1.00 0.00 O ATOM 183 CB ASP A 12 -5.089 -22.332 3.642 1.00 0.00 C ATOM 184 CG ASP A 12 -5.294 -21.807 5.060 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.591 -20.885 5.437 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.153 -22.335 5.747 1.00 0.00 O ATOM 0 H ASP A 12 -2.794 -22.088 4.819 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.704 -22.092 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.956 -22.089 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.004 -23.419 3.657 1.00 0.00 H new ATOM 191 N TYR A 13 -2.950 -19.508 3.501 1.00 0.00 N ATOM 192 CA TYR A 13 -2.955 -18.048 3.519 1.00 0.00 C ATOM 193 C TYR A 13 -2.539 -17.499 2.160 1.00 0.00 C ATOM 194 O TYR A 13 -1.933 -16.433 2.074 1.00 0.00 O ATOM 195 CB TYR A 13 -1.986 -17.539 4.590 1.00 0.00 C ATOM 196 CG TYR A 13 -2.482 -17.941 5.960 1.00 0.00 C ATOM 197 CD1 TYR A 13 -2.438 -19.284 6.355 1.00 0.00 C ATOM 198 CD2 TYR A 13 -2.986 -16.971 6.838 1.00 0.00 C ATOM 199 CE1 TYR A 13 -2.898 -19.657 7.623 1.00 0.00 C ATOM 200 CE2 TYR A 13 -3.444 -17.345 8.105 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.401 -18.688 8.498 1.00 0.00 C ATOM 202 OH TYR A 13 -3.854 -19.055 9.750 1.00 0.00 O ATOM 0 H TYR A 13 -2.118 -19.933 3.911 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.965 -17.707 3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.991 -17.950 4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.898 -16.454 4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.049 -20.032 5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.020 -15.935 6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.865 -20.693 7.926 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.831 -16.597 8.781 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.169 -18.261 10.230 1.00 0.00 H new ATOM 212 N GLN A 14 -2.858 -18.240 1.104 1.00 0.00 N ATOM 213 CA GLN A 14 -2.497 -17.826 -0.250 1.00 0.00 C ATOM 214 C GLN A 14 -2.943 -16.391 -0.535 1.00 0.00 C ATOM 215 O GLN A 14 -2.147 -15.564 -0.979 1.00 0.00 O ATOM 216 CB GLN A 14 -3.154 -18.766 -1.264 1.00 0.00 C ATOM 217 CG GLN A 14 -2.648 -20.193 -1.049 1.00 0.00 C ATOM 218 CD GLN A 14 -1.189 -20.298 -1.479 1.00 0.00 C ATOM 219 OE1 GLN A 14 -0.822 -19.821 -2.553 1.00 0.00 O ATOM 220 NE2 GLN A 14 -0.330 -20.900 -0.702 1.00 0.00 N ATOM 0 H GLN A 14 -3.363 -19.125 1.157 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.411 -17.872 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.238 -18.734 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.926 -18.438 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.747 -20.469 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.256 -20.894 -1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.636 -21.295 0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.647 -20.976 -0.984 1.00 0.00 H new ATOM 229 N SER A 15 -4.217 -16.106 -0.289 1.00 0.00 N ATOM 230 CA SER A 15 -4.755 -14.770 -0.539 1.00 0.00 C ATOM 231 C SER A 15 -4.488 -13.826 0.636 1.00 0.00 C ATOM 232 O SER A 15 -4.339 -12.619 0.450 1.00 0.00 O ATOM 233 CB SER A 15 -6.261 -14.861 -0.784 1.00 0.00 C ATOM 234 OG SER A 15 -6.913 -15.230 0.424 1.00 0.00 O ATOM 0 H SER A 15 -4.893 -16.775 0.080 1.00 0.00 H new ATOM 0 HA SER A 15 -4.254 -14.367 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.642 -13.903 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.471 -15.595 -1.562 1.00 0.00 H new ATOM 0 HG SER A 15 -7.879 -15.287 0.270 1.00 0.00 H new ATOM 240 N LEU A 16 -4.448 -14.379 1.840 1.00 0.00 N ATOM 241 CA LEU A 16 -4.220 -13.572 3.037 1.00 0.00 C ATOM 242 C LEU A 16 -2.735 -13.275 3.242 1.00 0.00 C ATOM 243 O LEU A 16 -2.361 -12.573 4.180 1.00 0.00 O ATOM 244 CB LEU A 16 -4.772 -14.293 4.265 1.00 0.00 C ATOM 245 CG LEU A 16 -5.157 -13.264 5.327 1.00 0.00 C ATOM 246 CD1 LEU A 16 -6.599 -12.807 5.092 1.00 0.00 C ATOM 247 CD2 LEU A 16 -5.041 -13.895 6.716 1.00 0.00 C ATOM 0 H LEU A 16 -4.569 -15.376 2.017 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.739 -12.623 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.641 -14.890 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.026 -14.981 4.663 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.488 -12.406 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.876 -12.073 5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.681 -12.357 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.268 -13.665 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.316 -13.161 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.710 -14.753 6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.015 -14.222 6.883 1.00 0.00 H new ATOM 259 N GLN A 17 -1.892 -13.826 2.377 1.00 0.00 N ATOM 260 CA GLN A 17 -0.452 -13.617 2.495 1.00 0.00 C ATOM 261 C GLN A 17 -0.052 -12.211 2.046 1.00 0.00 C ATOM 262 O GLN A 17 0.673 -11.512 2.753 1.00 0.00 O ATOM 263 CB GLN A 17 0.295 -14.654 1.653 1.00 0.00 C ATOM 264 CG GLN A 17 0.841 -15.758 2.562 1.00 0.00 C ATOM 265 CD GLN A 17 1.281 -16.954 1.725 1.00 0.00 C ATOM 266 OE1 GLN A 17 0.491 -17.498 0.954 1.00 0.00 O ATOM 267 NE2 GLN A 17 2.505 -17.395 1.829 1.00 0.00 N ATOM 0 H GLN A 17 -2.175 -14.415 1.594 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.183 -13.729 3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.375 -15.082 0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.112 -14.177 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.683 -15.380 3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.076 -16.065 3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.158 -16.942 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.809 -18.192 1.270 1.00 0.00 H new ATOM 276 N ILE A 18 -0.511 -11.807 0.864 1.00 0.00 N ATOM 277 CA ILE A 18 -0.172 -10.487 0.333 1.00 0.00 C ATOM 278 C ILE A 18 -1.197 -9.434 0.759 1.00 0.00 C ATOM 279 O ILE A 18 -0.905 -8.239 0.771 1.00 0.00 O ATOM 280 CB ILE A 18 -0.108 -10.548 -1.197 1.00 0.00 C ATOM 281 CG1 ILE A 18 0.666 -11.799 -1.631 1.00 0.00 C ATOM 282 CG2 ILE A 18 0.597 -9.302 -1.739 1.00 0.00 C ATOM 283 CD1 ILE A 18 2.007 -11.872 -0.894 1.00 0.00 C ATOM 0 H ILE A 18 -1.113 -12.367 0.260 1.00 0.00 H new ATOM 0 HA ILE A 18 0.799 -10.200 0.736 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.122 -10.590 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.077 -12.692 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.835 -11.776 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.639 -9.352 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.045 -8.412 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.610 -9.254 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.548 -12.764 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.599 -10.987 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.830 -11.917 0.181 1.00 0.00 H new ATOM 295 N GLY A 19 -2.397 -9.882 1.096 1.00 0.00 N ATOM 296 CA GLY A 19 -3.459 -8.969 1.509 1.00 0.00 C ATOM 297 C GLY A 19 -2.929 -7.841 2.393 1.00 0.00 C ATOM 298 O GLY A 19 -2.463 -6.816 1.893 1.00 0.00 O ATOM 0 H GLY A 19 -2.662 -10.867 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.936 -8.544 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.225 -9.524 2.050 1.00 0.00 H new ATOM 302 N GLY A 20 -3.027 -8.042 3.707 1.00 0.00 N ATOM 303 CA GLY A 20 -2.581 -7.052 4.689 1.00 0.00 C ATOM 304 C GLY A 20 -1.385 -6.237 4.204 1.00 0.00 C ATOM 305 O GLY A 20 -1.237 -5.069 4.565 1.00 0.00 O ATOM 0 H GLY A 20 -3.415 -8.890 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.406 -6.377 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.317 -7.560 5.617 1.00 0.00 H new ATOM 309 N LEU A 21 -0.523 -6.852 3.403 1.00 0.00 N ATOM 310 CA LEU A 21 0.660 -6.157 2.908 1.00 0.00 C ATOM 311 C LEU A 21 0.298 -5.096 1.868 1.00 0.00 C ATOM 312 O LEU A 21 0.733 -3.945 1.969 1.00 0.00 O ATOM 313 CB LEU A 21 1.637 -7.161 2.286 1.00 0.00 C ATOM 314 CG LEU A 21 1.804 -8.364 3.215 1.00 0.00 C ATOM 315 CD1 LEU A 21 2.860 -9.309 2.640 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.253 -7.883 4.597 1.00 0.00 C ATOM 0 H LEU A 21 -0.618 -7.817 3.086 1.00 0.00 H new ATOM 0 HA LEU A 21 1.127 -5.659 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.267 -7.489 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.603 -6.685 2.115 1.00 0.00 H new ATOM 0 HG LEU A 21 0.853 -8.889 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.980 -10.167 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.544 -9.652 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.811 -8.783 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.372 -8.740 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.204 -7.358 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.503 -7.208 5.009 1.00 0.00 H new ATOM 328 N VAL A 22 -0.478 -5.482 0.858 1.00 0.00 N ATOM 329 CA VAL A 22 -0.848 -4.542 -0.196 1.00 0.00 C ATOM 330 C VAL A 22 -1.728 -3.414 0.329 1.00 0.00 C ATOM 331 O VAL A 22 -1.436 -2.245 0.093 1.00 0.00 O ATOM 332 CB VAL A 22 -1.590 -5.278 -1.314 1.00 0.00 C ATOM 333 CG1 VAL A 22 -2.389 -4.274 -2.153 1.00 0.00 C ATOM 334 CG2 VAL A 22 -0.579 -5.990 -2.211 1.00 0.00 C ATOM 0 H VAL A 22 -0.857 -6.422 0.748 1.00 0.00 H new ATOM 0 HA VAL A 22 0.074 -4.104 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.271 -6.007 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.916 -4.802 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.111 -3.762 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.709 -3.544 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.106 -6.515 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.100 -5.257 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.009 -6.707 -1.620 1.00 0.00 H new ATOM 344 N ILE A 23 -2.798 -3.759 1.040 1.00 0.00 N ATOM 345 CA ILE A 23 -3.702 -2.738 1.570 1.00 0.00 C ATOM 346 C ILE A 23 -2.955 -1.782 2.494 1.00 0.00 C ATOM 347 O ILE A 23 -3.153 -0.563 2.438 1.00 0.00 O ATOM 348 CB ILE A 23 -4.871 -3.391 2.317 1.00 0.00 C ATOM 349 CG1 ILE A 23 -4.338 -4.279 3.445 1.00 0.00 C ATOM 350 CG2 ILE A 23 -5.691 -4.246 1.345 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.493 -5.076 4.053 1.00 0.00 C ATOM 0 H ILE A 23 -3.059 -4.720 1.261 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.099 -2.167 0.730 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.503 -2.610 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.577 -4.957 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.862 -3.667 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.521 -4.709 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.080 -3.616 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.056 -5.022 0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.115 -5.709 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.239 -4.389 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.949 -5.699 3.284 1.00 0.00 H new ATOM 363 N ALA A 24 -2.089 -2.333 3.334 1.00 0.00 N ATOM 364 CA ALA A 24 -1.315 -1.516 4.256 1.00 0.00 C ATOM 365 C ALA A 24 -0.473 -0.511 3.480 1.00 0.00 C ATOM 366 O ALA A 24 -0.260 0.621 3.921 1.00 0.00 O ATOM 367 CB ALA A 24 -0.402 -2.412 5.096 1.00 0.00 C ATOM 0 H ALA A 24 -1.906 -3.335 3.395 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.998 -0.977 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.177 -1.797 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.008 -3.120 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.276 -2.958 4.440 1.00 0.00 H new ATOM 373 N GLY A 25 0.001 -0.941 2.317 1.00 0.00 N ATOM 374 CA GLY A 25 0.821 -0.088 1.471 1.00 0.00 C ATOM 375 C GLY A 25 0.030 1.096 0.922 1.00 0.00 C ATOM 376 O GLY A 25 0.560 2.198 0.823 1.00 0.00 O ATOM 0 H GLY A 25 -0.169 -1.874 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.674 0.278 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.220 -0.674 0.643 1.00 0.00 H new ATOM 380 N ILE A 26 -1.229 0.866 0.544 1.00 0.00 N ATOM 381 CA ILE A 26 -2.049 1.945 -0.016 1.00 0.00 C ATOM 382 C ILE A 26 -2.299 3.046 1.012 1.00 0.00 C ATOM 383 O ILE A 26 -2.206 4.229 0.690 1.00 0.00 O ATOM 384 CB ILE A 26 -3.408 1.410 -0.496 1.00 0.00 C ATOM 385 CG1 ILE A 26 -3.229 0.138 -1.329 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.109 2.471 -1.351 1.00 0.00 C ATOM 387 CD1 ILE A 26 -2.104 0.320 -2.346 1.00 0.00 C ATOM 0 H ILE A 26 -1.697 -0.038 0.613 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.495 2.357 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.012 1.177 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.003 -0.704 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.159 -0.100 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.072 2.088 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.265 3.372 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.489 2.709 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.990 -0.593 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.346 1.148 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.172 0.535 -1.823 1.00 0.00 H new ATOM 399 N LEU A 27 -2.634 2.659 2.240 1.00 0.00 N ATOM 400 CA LEU A 27 -2.915 3.645 3.286 1.00 0.00 C ATOM 401 C LEU A 27 -1.687 4.514 3.569 1.00 0.00 C ATOM 402 O LEU A 27 -1.783 5.737 3.636 1.00 0.00 O ATOM 403 CB LEU A 27 -3.341 2.920 4.566 1.00 0.00 C ATOM 404 CG LEU A 27 -3.833 3.930 5.613 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.115 4.625 5.134 1.00 0.00 C ATOM 406 CD2 LEU A 27 -4.115 3.192 6.922 1.00 0.00 C ATOM 0 H LEU A 27 -2.717 1.686 2.535 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.719 4.295 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.132 2.205 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.502 2.351 4.966 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.063 4.687 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.447 5.337 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.916 5.153 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.893 3.880 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.465 3.902 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.880 2.434 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.201 2.714 7.274 1.00 0.00 H new ATOM 418 N PHE A 28 -0.543 3.867 3.736 1.00 0.00 N ATOM 419 CA PHE A 28 0.709 4.564 4.010 1.00 0.00 C ATOM 420 C PHE A 28 1.186 5.334 2.777 1.00 0.00 C ATOM 421 O PHE A 28 1.707 6.442 2.893 1.00 0.00 O ATOM 422 CB PHE A 28 1.773 3.549 4.429 1.00 0.00 C ATOM 423 CG PHE A 28 3.039 4.271 4.825 1.00 0.00 C ATOM 424 CD1 PHE A 28 4.005 4.567 3.857 1.00 0.00 C ATOM 425 CD2 PHE A 28 3.247 4.638 6.159 1.00 0.00 C ATOM 426 CE1 PHE A 28 5.181 5.232 4.224 1.00 0.00 C ATOM 427 CE2 PHE A 28 4.424 5.302 6.526 1.00 0.00 C ATOM 428 CZ PHE A 28 5.390 5.599 5.558 1.00 0.00 C ATOM 0 H PHE A 28 -0.454 2.852 3.686 1.00 0.00 H new ATOM 0 HA PHE A 28 0.542 5.279 4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.409 2.950 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.977 2.862 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.844 4.283 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.500 4.409 6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.927 5.462 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.586 5.585 7.556 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.297 6.112 5.841 1.00 0.00 H new ATOM 438 N ILE A 29 0.989 4.748 1.597 1.00 0.00 N ATOM 439 CA ILE A 29 1.387 5.403 0.353 1.00 0.00 C ATOM 440 C ILE A 29 0.571 6.667 0.206 1.00 0.00 C ATOM 441 O ILE A 29 1.096 7.735 -0.103 1.00 0.00 O ATOM 442 CB ILE A 29 1.154 4.494 -0.857 1.00 0.00 C ATOM 443 CG1 ILE A 29 2.326 3.519 -1.000 1.00 0.00 C ATOM 444 CG2 ILE A 29 1.050 5.348 -2.121 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.933 2.395 -1.960 1.00 0.00 C ATOM 0 H ILE A 29 0.561 3.830 1.477 1.00 0.00 H new ATOM 0 HA ILE A 29 2.452 5.630 0.393 1.00 0.00 H new ATOM 0 HB ILE A 29 0.230 3.933 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.206 4.042 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.591 3.106 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.884 4.703 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.217 6.044 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.975 5.908 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.765 1.698 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.065 1.867 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.689 2.818 -2.935 1.00 0.00 H new ATOM 457 N LEU A 30 -0.709 6.543 0.518 1.00 0.00 N ATOM 458 CA LEU A 30 -1.585 7.676 0.515 1.00 0.00 C ATOM 459 C LEU A 30 -1.063 8.569 1.600 1.00 0.00 C ATOM 460 O LEU A 30 -1.130 9.786 1.523 1.00 0.00 O ATOM 461 CB LEU A 30 -3.036 7.272 0.808 1.00 0.00 C ATOM 462 CG LEU A 30 -3.809 7.131 -0.504 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.037 6.242 -0.281 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.268 8.514 -0.979 1.00 0.00 C ATOM 0 H LEU A 30 -1.154 5.662 0.775 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.600 8.164 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.057 6.330 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.511 8.021 1.442 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.162 6.681 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.588 6.141 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.716 5.257 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.681 6.694 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.819 8.413 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.914 8.962 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.398 9.152 -1.137 1.00 0.00 H new ATOM 476 N GLY A 31 -0.539 7.913 2.629 1.00 0.00 N ATOM 477 CA GLY A 31 0.009 8.630 3.774 1.00 0.00 C ATOM 478 C GLY A 31 1.102 9.614 3.348 1.00 0.00 C ATOM 479 O GLY A 31 1.071 10.783 3.728 1.00 0.00 O ATOM 0 H GLY A 31 -0.482 6.897 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.790 9.169 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.418 7.917 4.489 1.00 0.00 H new ATOM 483 N ILE A 32 2.072 9.138 2.569 1.00 0.00 N ATOM 484 CA ILE A 32 3.166 10.002 2.122 1.00 0.00 C ATOM 485 C ILE A 32 2.678 11.046 1.121 1.00 0.00 C ATOM 486 O ILE A 32 3.036 12.218 1.217 1.00 0.00 O ATOM 487 CB ILE A 32 4.268 9.161 1.465 1.00 0.00 C ATOM 488 CG1 ILE A 32 4.686 8.011 2.395 1.00 0.00 C ATOM 489 CG2 ILE A 32 5.481 10.045 1.152 1.00 0.00 C ATOM 490 CD1 ILE A 32 5.069 8.541 3.785 1.00 0.00 C ATOM 0 H ILE A 32 2.125 8.175 2.238 1.00 0.00 H new ATOM 0 HA ILE A 32 3.559 10.514 3.000 1.00 0.00 H new ATOM 0 HB ILE A 32 3.882 8.740 0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.868 7.297 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.530 7.475 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.260 9.442 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.184 10.843 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.863 10.479 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.361 7.708 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.903 9.237 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.215 9.055 4.226 1.00 0.00 H new ATOM 502 N LEU A 33 1.865 10.620 0.161 1.00 0.00 N ATOM 503 CA LEU A 33 1.350 11.544 -0.845 1.00 0.00 C ATOM 504 C LEU A 33 0.492 12.617 -0.191 1.00 0.00 C ATOM 505 O LEU A 33 0.641 13.805 -0.470 1.00 0.00 O ATOM 506 CB LEU A 33 0.514 10.785 -1.881 1.00 0.00 C ATOM 507 CG LEU A 33 1.386 9.754 -2.611 1.00 0.00 C ATOM 508 CD1 LEU A 33 0.513 8.939 -3.566 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.486 10.459 -3.414 1.00 0.00 C ATOM 0 H LEU A 33 1.551 9.655 0.057 1.00 0.00 H new ATOM 0 HA LEU A 33 2.197 12.018 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.320 10.284 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.087 11.485 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 33 1.848 9.098 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.129 8.206 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.263 8.424 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.050 9.605 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.096 9.715 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.031 11.123 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.114 11.040 -2.739 1.00 0.00 H new ATOM 521 N ILE A 34 -0.409 12.182 0.678 1.00 0.00 N ATOM 522 CA ILE A 34 -1.306 13.108 1.374 1.00 0.00 C ATOM 523 C ILE A 34 -0.524 14.113 2.214 1.00 0.00 C ATOM 524 O ILE A 34 -0.832 15.305 2.214 1.00 0.00 O ATOM 525 CB ILE A 34 -2.257 12.342 2.298 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.324 11.622 1.468 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.937 13.324 3.249 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.043 10.596 2.347 1.00 0.00 C ATOM 0 H ILE A 34 -0.542 11.200 0.921 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.873 13.641 0.610 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.688 11.607 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.039 12.342 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.863 11.126 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.615 12.782 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.181 13.835 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.501 14.057 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.803 10.082 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.322 9.870 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.517 11.105 3.187 1.00 0.00 H new ATOM 540 N VAL A 35 0.476 13.627 2.943 1.00 0.00 N ATOM 541 CA VAL A 35 1.272 14.503 3.796 1.00 0.00 C ATOM 542 C VAL A 35 1.883 15.639 2.984 1.00 0.00 C ATOM 543 O VAL A 35 1.734 16.810 3.330 1.00 0.00 O ATOM 544 CB VAL A 35 2.388 13.703 4.472 1.00 0.00 C ATOM 545 CG1 VAL A 35 3.393 14.665 5.109 1.00 0.00 C ATOM 546 CG2 VAL A 35 1.789 12.806 5.558 1.00 0.00 C ATOM 0 H VAL A 35 0.752 12.645 2.961 1.00 0.00 H new ATOM 0 HA VAL A 35 0.615 14.928 4.555 1.00 0.00 H new ATOM 0 HB VAL A 35 2.893 13.088 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.188 14.095 5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.822 15.306 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.887 15.280 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.584 12.237 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.284 13.423 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.072 12.119 5.108 1.00 0.00 H new ATOM 556 N LEU A 36 2.567 15.287 1.904 1.00 0.00 N ATOM 557 CA LEU A 36 3.191 16.289 1.049 1.00 0.00 C ATOM 558 C LEU A 36 2.132 17.144 0.354 1.00 0.00 C ATOM 559 O LEU A 36 2.348 18.329 0.101 1.00 0.00 O ATOM 560 CB LEU A 36 4.072 15.604 0.000 1.00 0.00 C ATOM 561 CG LEU A 36 5.107 14.711 0.696 1.00 0.00 C ATOM 562 CD1 LEU A 36 5.946 13.985 -0.357 1.00 0.00 C ATOM 563 CD2 LEU A 36 6.029 15.562 1.576 1.00 0.00 C ATOM 0 H LEU A 36 2.704 14.323 1.600 1.00 0.00 H new ATOM 0 HA LEU A 36 3.806 16.938 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.456 15.007 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.576 16.353 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 36 4.586 13.984 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.681 13.351 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.296 13.370 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.459 14.717 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.760 14.919 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.547 16.295 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.436 16.078 2.331 1.00 0.00 H new ATOM 575 N SER A 37 0.992 16.533 0.042 1.00 0.00 N ATOM 576 CA SER A 37 -0.092 17.243 -0.634 1.00 0.00 C ATOM 577 C SER A 37 -0.619 18.401 0.212 1.00 0.00 C ATOM 578 O SER A 37 -0.973 19.454 -0.320 1.00 0.00 O ATOM 579 CB SER A 37 -1.238 16.281 -0.940 1.00 0.00 C ATOM 580 OG SER A 37 -0.758 15.219 -1.753 1.00 0.00 O ATOM 0 H SER A 37 0.795 15.553 0.245 1.00 0.00 H new ATOM 0 HA SER A 37 0.310 17.650 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.653 15.885 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.044 16.809 -1.450 1.00 0.00 H new ATOM 0 HG SER A 37 -0.230 14.601 -1.206 1.00 0.00 H new ATOM 586 N ARG A 38 -0.681 18.202 1.524 1.00 0.00 N ATOM 587 CA ARG A 38 -1.184 19.246 2.412 1.00 0.00 C ATOM 588 C ARG A 38 -0.365 20.523 2.251 1.00 0.00 C ATOM 589 O ARG A 38 -0.886 21.628 2.405 1.00 0.00 O ATOM 590 CB ARG A 38 -1.149 18.761 3.871 1.00 0.00 C ATOM 591 CG ARG A 38 0.163 19.179 4.551 1.00 0.00 C ATOM 592 CD ARG A 38 0.339 18.383 5.843 1.00 0.00 C ATOM 593 NE ARG A 38 1.406 18.965 6.652 1.00 0.00 N ATOM 594 CZ ARG A 38 2.677 18.907 6.265 1.00 0.00 C ATOM 595 NH1 ARG A 38 2.994 18.314 5.145 1.00 0.00 N ATOM 596 NH2 ARG A 38 3.610 19.439 7.007 1.00 0.00 N ATOM 0 H ARG A 38 -0.394 17.342 1.992 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.217 19.467 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.996 19.176 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.251 17.676 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.005 19.000 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.149 20.247 4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.594 18.379 6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.575 17.345 5.610 1.00 0.00 H new ATOM 0 HE ARG A 38 1.172 19.425 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.266 17.895 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.969 18.270 4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.364 19.899 7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.585 19.395 6.710 1.00 0.00 H new ATOM 610 N ARG A 39 0.915 20.365 1.938 1.00 0.00 N ATOM 611 CA ARG A 39 1.795 21.511 1.755 1.00 0.00 C ATOM 612 C ARG A 39 1.367 22.321 0.534 1.00 0.00 C ATOM 613 O ARG A 39 1.536 23.538 0.494 1.00 0.00 O ATOM 614 CB ARG A 39 3.239 21.035 1.579 1.00 0.00 C ATOM 615 CG ARG A 39 4.174 22.241 1.443 1.00 0.00 C ATOM 616 CD ARG A 39 5.389 22.051 2.353 1.00 0.00 C ATOM 617 NE ARG A 39 6.116 20.847 1.971 1.00 0.00 N ATOM 618 CZ ARG A 39 7.241 20.500 2.586 1.00 0.00 C ATOM 619 NH1 ARG A 39 7.709 21.236 3.556 1.00 0.00 N ATOM 620 NH2 ARG A 39 7.878 19.419 2.220 1.00 0.00 N ATOM 0 H ARG A 39 1.365 19.459 1.806 1.00 0.00 H new ATOM 0 HA ARG A 39 1.729 22.146 2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.537 20.427 2.433 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.317 20.402 0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.496 22.350 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.646 23.156 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.045 22.919 2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.067 21.977 3.392 1.00 0.00 H new ATOM 0 HE ARG A 39 5.755 20.261 1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.211 22.079 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.573 20.969 4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.511 18.843 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.742 19.152 2.692 1.00 0.00 H new ATOM 634 N CYS A 40 0.817 21.632 -0.460 1.00 0.00 N ATOM 635 CA CYS A 40 0.375 22.291 -1.686 1.00 0.00 C ATOM 636 C CYS A 40 -0.649 23.381 -1.383 1.00 0.00 C ATOM 637 O CYS A 40 -0.521 24.510 -1.853 1.00 0.00 O ATOM 638 CB CYS A 40 -0.243 21.261 -2.633 1.00 0.00 C ATOM 639 SG CYS A 40 0.920 19.896 -2.881 1.00 0.00 S ATOM 0 H CYS A 40 0.667 20.623 -0.443 1.00 0.00 H new ATOM 0 HA CYS A 40 1.243 22.752 -2.157 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.178 20.885 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.482 21.727 -3.589 1.00 0.00 H new ATOM 0 HG CYS A 40 0.395 19.019 -3.684 1.00 0.00 H new ATOM 645 N ARG A 41 -1.665 23.041 -0.598 1.00 0.00 N ATOM 646 CA ARG A 41 -2.700 24.009 -0.251 1.00 0.00 C ATOM 647 C ARG A 41 -2.080 25.256 0.368 1.00 0.00 C ATOM 648 O ARG A 41 -2.533 26.374 0.121 1.00 0.00 O ATOM 649 CB ARG A 41 -3.691 23.387 0.735 1.00 0.00 C ATOM 650 CG ARG A 41 -4.659 24.462 1.234 1.00 0.00 C ATOM 651 CD ARG A 41 -5.905 23.793 1.816 1.00 0.00 C ATOM 652 NE ARG A 41 -5.524 22.782 2.794 1.00 0.00 N ATOM 653 CZ ARG A 41 -6.371 21.826 3.158 1.00 0.00 C ATOM 654 NH1 ARG A 41 -7.564 21.782 2.632 1.00 0.00 N ATOM 655 NH2 ARG A 41 -6.011 20.933 4.037 1.00 0.00 N ATOM 0 H ARG A 41 -1.794 22.114 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.226 24.292 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.244 22.581 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.155 22.946 1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.176 25.078 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.938 25.125 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.543 24.542 2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.487 23.335 1.017 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.591 22.809 3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.844 22.480 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.217 21.049 2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.077 20.968 4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.663 20.200 4.315 1.00 0.00 H new ATOM 669 N CYS A 42 -1.046 25.056 1.176 1.00 0.00 N ATOM 670 CA CYS A 42 -0.371 26.171 1.831 1.00 0.00 C ATOM 671 C CYS A 42 0.460 26.975 0.831 1.00 0.00 C ATOM 672 O CYS A 42 0.502 28.204 0.894 1.00 0.00 O ATOM 673 CB CYS A 42 0.531 25.644 2.949 1.00 0.00 C ATOM 674 SG CYS A 42 -0.342 25.758 4.533 1.00 0.00 S ATOM 0 H CYS A 42 -0.658 24.138 1.393 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.130 26.831 2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.810 24.609 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.455 26.221 2.988 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.348 26.573 4.416 1.00 0.00 H new ATOM 680 N LYS A 43 1.129 26.275 -0.082 1.00 0.00 N ATOM 681 CA LYS A 43 1.969 26.934 -1.083 1.00 0.00 C ATOM 682 C LYS A 43 1.144 27.537 -2.220 1.00 0.00 C ATOM 683 O LYS A 43 1.617 28.429 -2.922 1.00 0.00 O ATOM 684 CB LYS A 43 2.955 25.927 -1.680 1.00 0.00 C ATOM 685 CG LYS A 43 3.953 25.471 -0.611 1.00 0.00 C ATOM 686 CD LYS A 43 5.089 24.686 -1.274 1.00 0.00 C ATOM 687 CE LYS A 43 4.511 23.529 -2.095 1.00 0.00 C ATOM 688 NZ LYS A 43 5.534 22.454 -2.224 1.00 0.00 N ATOM 0 H LYS A 43 1.107 25.258 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 43 2.499 27.740 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.414 25.067 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.488 26.380 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.355 26.335 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.450 24.849 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.671 25.345 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.769 24.301 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.615 23.138 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.213 23.882 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.126 21.647 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.356 22.818 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.835 22.146 -1.277 1.00 0.00 H new ATOM 702 N PHE A 44 -0.068 27.030 -2.429 1.00 0.00 N ATOM 703 CA PHE A 44 -0.897 27.525 -3.528 1.00 0.00 C ATOM 704 C PHE A 44 -1.282 28.989 -3.336 1.00 0.00 C ATOM 705 O PHE A 44 -1.091 29.793 -4.244 1.00 0.00 O ATOM 706 CB PHE A 44 -2.174 26.684 -3.624 1.00 0.00 C ATOM 707 CG PHE A 44 -2.008 25.611 -4.676 1.00 0.00 C ATOM 708 CD1 PHE A 44 -0.813 24.884 -4.760 1.00 0.00 C ATOM 709 CD2 PHE A 44 -3.055 25.340 -5.567 1.00 0.00 C ATOM 710 CE1 PHE A 44 -0.665 23.890 -5.733 1.00 0.00 C ATOM 711 CE2 PHE A 44 -2.905 24.345 -6.540 1.00 0.00 C ATOM 712 CZ PHE A 44 -1.711 23.621 -6.624 1.00 0.00 C ATOM 0 H PHE A 44 -0.493 26.293 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.313 27.444 -4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.392 26.228 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.022 27.322 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.006 25.091 -4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.977 25.899 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.256 23.330 -5.797 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.712 24.136 -7.227 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.596 22.855 -7.376 1.00 0.00 H new ATOM 722 N ASN A 45 -1.802 29.332 -2.156 1.00 0.00 N ATOM 723 CA ASN A 45 -2.202 30.715 -1.852 1.00 0.00 C ATOM 724 C ASN A 45 -3.210 30.736 -0.703 1.00 0.00 C ATOM 725 O ASN A 45 -3.865 31.748 -0.453 1.00 0.00 O ATOM 726 CB ASN A 45 -2.823 31.413 -3.082 1.00 0.00 C ATOM 727 CG ASN A 45 -1.771 32.269 -3.784 1.00 0.00 C ATOM 728 OD1 ASN A 45 -1.168 33.145 -3.164 1.00 0.00 O ATOM 729 ND2 ASN A 45 -1.507 32.061 -5.046 1.00 0.00 N ATOM 0 H ASN A 45 -1.958 28.674 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.301 31.256 -1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.217 30.668 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.662 32.036 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.801 32.625 -5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.007 31.335 -5.559 1.00 0.00 H new ATOM 736 N GLN A 46 -3.328 29.616 -0.001 1.00 0.00 N ATOM 737 CA GLN A 46 -4.264 29.533 1.115 1.00 0.00 C ATOM 738 C GLN A 46 -3.961 30.613 2.148 1.00 0.00 C ATOM 739 O GLN A 46 -4.872 31.173 2.758 1.00 0.00 O ATOM 740 CB GLN A 46 -4.175 28.155 1.772 1.00 0.00 C ATOM 741 CG GLN A 46 -5.056 28.126 3.023 1.00 0.00 C ATOM 742 CD GLN A 46 -4.257 28.599 4.235 1.00 0.00 C ATOM 743 OE1 GLN A 46 -3.168 28.089 4.498 1.00 0.00 O ATOM 744 NE2 GLN A 46 -4.734 29.550 4.989 1.00 0.00 N ATOM 0 H GLN A 46 -2.797 28.764 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.273 29.686 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.496 27.385 1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.141 27.933 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.927 28.765 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.427 27.115 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.637 29.971 4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.204 29.873 5.799 1.00 0.00 H new ATOM 753 N GLN A 47 -2.679 30.912 2.334 1.00 0.00 N ATOM 754 CA GLN A 47 -2.281 31.938 3.290 1.00 0.00 C ATOM 755 C GLN A 47 -2.776 33.305 2.834 1.00 0.00 C ATOM 756 O GLN A 47 -3.038 34.188 3.651 1.00 0.00 O ATOM 757 CB GLN A 47 -0.757 31.971 3.435 1.00 0.00 C ATOM 758 CG GLN A 47 -0.274 30.677 4.092 1.00 0.00 C ATOM 759 CD GLN A 47 1.212 30.784 4.416 1.00 0.00 C ATOM 760 OE1 GLN A 47 1.705 31.870 4.720 1.00 0.00 O ATOM 761 NE2 GLN A 47 1.960 29.715 4.368 1.00 0.00 N ATOM 0 H GLN A 47 -1.906 30.464 1.841 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.727 31.697 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.291 32.089 2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.458 32.829 4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.841 30.488 5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.450 29.833 3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.549 28.816 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.955 29.779 4.583 1.00 0.00 H new ATOM 770 N GLN A 48 -2.897 33.473 1.520 1.00 0.00 N ATOM 771 CA GLN A 48 -3.357 34.738 0.956 1.00 0.00 C ATOM 772 C GLN A 48 -4.727 35.114 1.515 1.00 0.00 C ATOM 773 O GLN A 48 -4.998 36.286 1.776 1.00 0.00 O ATOM 774 CB GLN A 48 -3.441 34.626 -0.568 1.00 0.00 C ATOM 775 CG GLN A 48 -3.571 36.022 -1.181 1.00 0.00 C ATOM 776 CD GLN A 48 -3.664 35.917 -2.700 1.00 0.00 C ATOM 777 OE1 GLN A 48 -4.595 35.306 -3.224 1.00 0.00 O ATOM 778 NE2 GLN A 48 -2.750 36.479 -3.443 1.00 0.00 N ATOM 0 H GLN A 48 -2.684 32.753 0.829 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.643 35.515 1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.551 34.130 -0.955 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.297 34.013 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.457 36.520 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.712 36.632 -0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.979 36.985 -3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.807 36.412 -4.459 1.00 0.00 H new ATOM 787 N ARG A 49 -5.586 34.116 1.696 1.00 0.00 N ATOM 788 CA ARG A 49 -6.922 34.365 2.223 1.00 0.00 C ATOM 789 C ARG A 49 -7.505 33.098 2.838 1.00 0.00 C ATOM 790 O ARG A 49 -7.088 31.989 2.507 1.00 0.00 O ATOM 791 CB ARG A 49 -7.837 34.861 1.101 1.00 0.00 C ATOM 792 CG ARG A 49 -8.175 33.700 0.164 1.00 0.00 C ATOM 793 CD ARG A 49 -8.628 34.251 -1.188 1.00 0.00 C ATOM 794 NE ARG A 49 -9.491 35.412 -0.995 1.00 0.00 N ATOM 795 CZ ARG A 49 -10.797 35.272 -0.789 1.00 0.00 C ATOM 796 NH1 ARG A 49 -11.329 34.081 -0.748 1.00 0.00 N ATOM 797 NH2 ARG A 49 -11.547 36.327 -0.626 1.00 0.00 N ATOM 0 H ARG A 49 -5.384 33.138 1.488 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.850 35.127 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.751 35.280 1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.347 35.660 0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.304 33.058 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.962 33.084 0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.760 34.529 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.162 33.480 -1.743 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.085 36.347 -1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.743 33.256 -0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.331 33.975 -0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.131 37.258 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.549 36.221 -0.468 1.00 0.00 H new ATOM 811 N THR A 50 -8.476 33.273 3.731 1.00 0.00 N ATOM 812 CA THR A 50 -9.117 32.140 4.390 1.00 0.00 C ATOM 813 C THR A 50 -10.517 31.921 3.827 1.00 0.00 C ATOM 814 O THR A 50 -11.103 32.823 3.225 1.00 0.00 O ATOM 815 CB THR A 50 -9.205 32.394 5.897 1.00 0.00 C ATOM 816 OG1 THR A 50 -10.414 31.843 6.398 1.00 0.00 O ATOM 817 CG2 THR A 50 -9.179 33.900 6.164 1.00 0.00 C ATOM 0 H THR A 50 -8.835 34.185 4.014 1.00 0.00 H new ATOM 0 HA THR A 50 -8.518 31.248 4.207 1.00 0.00 H new ATOM 0 HB THR A 50 -8.357 31.924 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.471 32.003 7.363 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.242 34.080 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.251 34.322 5.779 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.026 34.372 5.667 1.00 0.00 H new ATOM 825 N GLY A 51 -11.051 30.719 4.024 1.00 0.00 N ATOM 826 CA GLY A 51 -12.385 30.396 3.528 1.00 0.00 C ATOM 827 C GLY A 51 -13.415 31.389 4.057 1.00 0.00 C ATOM 828 O GLY A 51 -13.381 31.762 5.230 1.00 0.00 O ATOM 0 H GLY A 51 -10.585 29.959 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.386 30.410 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.657 29.386 3.834 1.00 0.00 H new ATOM 832 N GLU A 52 -14.324 31.813 3.179 1.00 0.00 N ATOM 833 CA GLU A 52 -15.366 32.767 3.554 1.00 0.00 C ATOM 834 C GLU A 52 -16.740 32.087 3.568 1.00 0.00 C ATOM 835 O GLU A 52 -16.926 31.059 2.918 1.00 0.00 O ATOM 836 CB GLU A 52 -15.389 33.938 2.567 1.00 0.00 C ATOM 837 CG GLU A 52 -14.669 33.541 1.277 1.00 0.00 C ATOM 838 CD GLU A 52 -13.160 33.542 1.500 1.00 0.00 C ATOM 839 OE1 GLU A 52 -12.694 34.379 2.256 1.00 0.00 O ATOM 840 OE2 GLU A 52 -12.494 32.705 0.913 1.00 0.00 O ATOM 0 H GLU A 52 -14.359 31.511 2.205 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.144 33.139 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -16.419 34.221 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.907 34.809 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.997 32.552 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.927 34.236 0.478 1.00 0.00 H new ATOM 847 N PRO A 53 -17.699 32.633 4.289 1.00 0.00 N ATOM 848 CA PRO A 53 -19.071 32.054 4.364 1.00 0.00 C ATOM 849 C PRO A 53 -19.592 31.596 3.000 1.00 0.00 C ATOM 850 O PRO A 53 -18.954 31.819 1.972 1.00 0.00 O ATOM 851 CB PRO A 53 -19.928 33.203 4.896 1.00 0.00 C ATOM 852 CG PRO A 53 -18.998 34.117 5.625 1.00 0.00 C ATOM 853 CD PRO A 53 -17.582 33.853 5.109 1.00 0.00 C ATOM 0 HA PRO A 53 -19.091 31.164 4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -20.427 33.726 4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -20.708 32.831 5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -19.277 35.158 5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.052 33.940 6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -17.214 34.692 4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -16.882 33.710 5.932 1.00 0.00 H new ATOM 861 N ASP A 54 -20.761 30.964 3.008 1.00 0.00 N ATOM 862 CA ASP A 54 -21.376 30.482 1.774 1.00 0.00 C ATOM 863 C ASP A 54 -20.436 29.538 1.030 1.00 0.00 C ATOM 864 O ASP A 54 -19.388 29.151 1.550 1.00 0.00 O ATOM 865 CB ASP A 54 -21.742 31.663 0.870 1.00 0.00 C ATOM 866 CG ASP A 54 -22.754 32.564 1.570 1.00 0.00 C ATOM 867 OD1 ASP A 54 -23.358 32.110 2.528 1.00 0.00 O ATOM 868 OD2 ASP A 54 -22.910 33.693 1.137 1.00 0.00 O ATOM 0 H ASP A 54 -21.301 30.773 3.852 1.00 0.00 H new ATOM 0 HA ASP A 54 -22.281 29.935 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.846 32.233 0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.157 31.297 -0.069 1.00 0.00 H new ATOM 873 N GLU A 55 -20.824 29.167 -0.186 1.00 0.00 N ATOM 874 CA GLU A 55 -20.018 28.261 -0.997 1.00 0.00 C ATOM 875 C GLU A 55 -18.584 28.766 -1.112 1.00 0.00 C ATOM 876 O GLU A 55 -18.345 29.971 -1.199 1.00 0.00 O ATOM 877 CB GLU A 55 -20.629 28.129 -2.393 1.00 0.00 C ATOM 878 CG GLU A 55 -22.050 27.573 -2.277 1.00 0.00 C ATOM 879 CD GLU A 55 -22.648 27.375 -3.665 1.00 0.00 C ATOM 880 OE1 GLU A 55 -22.025 27.799 -4.624 1.00 0.00 O ATOM 881 OE2 GLU A 55 -23.722 26.801 -3.749 1.00 0.00 O ATOM 0 H GLU A 55 -21.688 29.478 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 55 -20.005 27.286 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -20.646 29.100 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.018 27.469 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.035 26.625 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.671 28.257 -1.699 1.00 0.00 H new ATOM 888 N GLU A 56 -17.635 27.832 -1.110 1.00 0.00 N ATOM 889 CA GLU A 56 -16.223 28.180 -1.212 1.00 0.00 C ATOM 890 C GLU A 56 -15.676 27.811 -2.589 1.00 0.00 C ATOM 891 O GLU A 56 -16.085 26.813 -3.183 1.00 0.00 O ATOM 892 CB GLU A 56 -15.428 27.442 -0.131 1.00 0.00 C ATOM 893 CG GLU A 56 -14.011 28.014 -0.055 1.00 0.00 C ATOM 894 CD GLU A 56 -14.046 29.422 0.530 1.00 0.00 C ATOM 895 OE1 GLU A 56 -14.970 29.710 1.273 1.00 0.00 O ATOM 896 OE2 GLU A 56 -13.151 30.192 0.225 1.00 0.00 O ATOM 0 H GLU A 56 -17.819 26.831 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.121 29.256 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.925 27.545 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.389 26.377 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.383 27.371 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.565 28.036 -1.049 1.00 0.00 H new ATOM 903 N GLU A 57 -14.752 28.625 -3.089 1.00 0.00 N ATOM 904 CA GLU A 57 -14.153 28.380 -4.395 1.00 0.00 C ATOM 905 C GLU A 57 -12.665 28.717 -4.372 1.00 0.00 C ATOM 906 O GLU A 57 -12.198 29.559 -5.140 1.00 0.00 O ATOM 907 CB GLU A 57 -14.852 29.230 -5.459 1.00 0.00 C ATOM 908 CG GLU A 57 -14.963 30.676 -4.970 1.00 0.00 C ATOM 909 CD GLU A 57 -15.680 31.526 -6.013 1.00 0.00 C ATOM 910 OE1 GLU A 57 -15.964 31.005 -7.079 1.00 0.00 O ATOM 911 OE2 GLU A 57 -15.937 32.685 -5.731 1.00 0.00 O ATOM 0 H GLU A 57 -14.403 29.456 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.273 27.324 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.292 29.194 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.844 28.828 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.507 30.709 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.969 31.081 -4.779 1.00 0.00 H new ATOM 918 N GLY A 58 -11.928 28.059 -3.484 1.00 0.00 N ATOM 919 CA GLY A 58 -10.495 28.301 -3.368 1.00 0.00 C ATOM 920 C GLY A 58 -9.710 27.450 -4.360 1.00 0.00 C ATOM 921 O GLY A 58 -10.082 27.338 -5.527 1.00 0.00 O ATOM 0 H GLY A 58 -12.295 27.360 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.286 29.356 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.167 28.077 -2.353 1.00 0.00 H new ATOM 925 N THR A 59 -8.621 26.858 -3.884 1.00 0.00 N ATOM 926 CA THR A 59 -7.781 26.017 -4.729 1.00 0.00 C ATOM 927 C THR A 59 -8.619 24.963 -5.443 1.00 0.00 C ATOM 928 O THR A 59 -9.848 24.985 -5.382 1.00 0.00 O ATOM 929 CB THR A 59 -6.711 25.329 -3.878 1.00 0.00 C ATOM 930 OG1 THR A 59 -7.344 24.517 -2.900 1.00 0.00 O ATOM 931 CG2 THR A 59 -5.846 26.384 -3.185 1.00 0.00 C ATOM 0 H THR A 59 -8.299 26.944 -2.920 1.00 0.00 H new ATOM 0 HA THR A 59 -7.303 26.650 -5.477 1.00 0.00 H new ATOM 0 HB THR A 59 -6.079 24.711 -4.516 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.663 24.073 -2.353 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.085 25.891 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.363 27.009 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.473 27.005 -2.545 1.00 0.00 H new ATOM 939 N PHE A 60 -7.946 24.033 -6.112 1.00 0.00 N ATOM 940 CA PHE A 60 -8.644 22.968 -6.827 1.00 0.00 C ATOM 941 C PHE A 60 -9.296 22.024 -5.829 1.00 0.00 C ATOM 942 O PHE A 60 -10.451 21.627 -5.987 1.00 0.00 O ATOM 943 CB PHE A 60 -7.663 22.195 -7.711 1.00 0.00 C ATOM 944 CG PHE A 60 -8.107 22.283 -9.154 1.00 0.00 C ATOM 945 CD1 PHE A 60 -9.111 21.431 -9.631 1.00 0.00 C ATOM 946 CD2 PHE A 60 -7.514 23.215 -10.015 1.00 0.00 C ATOM 947 CE1 PHE A 60 -9.521 21.511 -10.966 1.00 0.00 C ATOM 948 CE2 PHE A 60 -7.924 23.294 -11.352 1.00 0.00 C ATOM 949 CZ PHE A 60 -8.929 22.442 -11.827 1.00 0.00 C ATOM 0 H PHE A 60 -6.929 23.993 -6.175 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.413 23.410 -7.460 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.659 22.605 -7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.617 21.152 -7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.569 20.712 -8.968 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.740 23.873 -9.648 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.295 20.854 -11.333 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.465 24.012 -12.016 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.247 22.503 -12.857 1.00 0.00 H new ATOM 959 N ARG A 61 -8.543 21.688 -4.791 1.00 0.00 N ATOM 960 CA ARG A 61 -9.040 20.811 -3.744 1.00 0.00 C ATOM 961 C ARG A 61 -10.244 21.452 -3.064 1.00 0.00 C ATOM 962 O ARG A 61 -11.154 20.763 -2.607 1.00 0.00 O ATOM 963 CB ARG A 61 -7.937 20.545 -2.719 1.00 0.00 C ATOM 964 CG ARG A 61 -6.763 19.848 -3.411 1.00 0.00 C ATOM 965 CD ARG A 61 -5.641 19.601 -2.401 1.00 0.00 C ATOM 966 NE ARG A 61 -5.905 18.387 -1.637 1.00 0.00 N ATOM 967 CZ ARG A 61 -5.842 17.186 -2.206 1.00 0.00 C ATOM 968 NH1 ARG A 61 -5.540 17.078 -3.471 1.00 0.00 N ATOM 969 NH2 ARG A 61 -6.078 16.116 -1.499 1.00 0.00 N ATOM 0 H ARG A 61 -7.585 22.010 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.345 19.862 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.606 21.482 -2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.319 19.923 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.092 18.902 -3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.396 20.463 -4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.687 19.511 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.556 20.452 -1.726 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.142 18.460 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.352 17.914 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.492 16.157 -3.907 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.311 16.200 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.030 15.195 -1.936 1.00 0.00 H new ATOM 983 N SER A 62 -10.232 22.779 -2.997 1.00 0.00 N ATOM 984 CA SER A 62 -11.317 23.515 -2.364 1.00 0.00 C ATOM 985 C SER A 62 -12.639 23.245 -3.078 1.00 0.00 C ATOM 986 O SER A 62 -13.695 23.212 -2.447 1.00 0.00 O ATOM 987 CB SER A 62 -11.014 25.014 -2.395 1.00 0.00 C ATOM 988 OG SER A 62 -11.506 25.616 -1.206 1.00 0.00 O ATOM 0 H SER A 62 -9.485 23.364 -3.372 1.00 0.00 H new ATOM 0 HA SER A 62 -11.404 23.182 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.940 25.178 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.478 25.473 -3.268 1.00 0.00 H new ATOM 0 HG SER A 62 -11.312 26.577 -1.221 1.00 0.00 H new ATOM 994 N SER A 63 -12.579 23.046 -4.392 1.00 0.00 N ATOM 995 CA SER A 63 -13.791 22.773 -5.158 1.00 0.00 C ATOM 996 C SER A 63 -14.401 21.448 -4.710 1.00 0.00 C ATOM 997 O SER A 63 -15.615 21.264 -4.756 1.00 0.00 O ATOM 998 CB SER A 63 -13.474 22.717 -6.652 1.00 0.00 C ATOM 999 OG SER A 63 -14.684 22.813 -7.392 1.00 0.00 O ATOM 0 H SER A 63 -11.720 23.068 -4.941 1.00 0.00 H new ATOM 0 HA SER A 63 -14.505 23.577 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.802 23.531 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.960 21.786 -6.892 1.00 0.00 H new ATOM 0 HG SER A 63 -14.485 22.779 -8.351 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.547 20.533 -4.268 1.00 0.00 N ATOM 1006 CA ILE A 64 -14.007 19.228 -3.801 1.00 0.00 C ATOM 1007 C ILE A 64 -14.908 19.397 -2.583 1.00 0.00 C ATOM 1008 O ILE A 64 -15.851 18.635 -2.391 1.00 0.00 O ATOM 1009 CB ILE A 64 -12.818 18.333 -3.436 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -11.831 18.296 -4.604 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -13.316 16.915 -3.149 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -10.593 17.490 -4.204 1.00 0.00 C ATOM 0 H ILE A 64 -12.537 20.668 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.569 18.756 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.322 18.732 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -12.303 17.847 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.543 19.310 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.470 16.278 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.021 16.938 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.811 16.517 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.891 17.464 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.117 17.958 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.888 16.473 -3.947 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.625 20.406 -1.765 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.443 20.652 -0.584 1.00 0.00 C ATOM 1026 C ARG A 65 -16.887 20.870 -1.010 1.00 0.00 C ATOM 1027 O ARG A 65 -17.821 20.569 -0.265 1.00 0.00 O ATOM 1028 CB ARG A 65 -14.947 21.879 0.187 1.00 0.00 C ATOM 1029 CG ARG A 65 -15.624 21.909 1.564 1.00 0.00 C ATOM 1030 CD ARG A 65 -15.427 23.273 2.228 1.00 0.00 C ATOM 1031 NE ARG A 65 -16.256 23.357 3.427 1.00 0.00 N ATOM 1032 CZ ARG A 65 -16.121 24.354 4.295 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -15.218 25.274 4.098 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -16.890 24.408 5.348 1.00 0.00 N ATOM 0 H ARG A 65 -13.850 21.056 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.371 19.785 0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.864 21.840 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -15.177 22.790 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.688 21.700 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.208 21.126 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.378 23.414 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.693 24.069 1.533 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.954 22.634 3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.614 25.229 3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.115 26.039 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.593 23.686 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.788 25.173 6.015 1.00 0.00 H new ATOM 1048 N ARG A 66 -17.059 21.399 -2.216 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.384 21.660 -2.742 1.00 0.00 C ATOM 1050 C ARG A 66 -19.224 20.387 -2.708 1.00 0.00 C ATOM 1051 O ARG A 66 -20.418 20.440 -2.469 1.00 0.00 O ATOM 1052 CB ARG A 66 -18.274 22.166 -4.182 1.00 0.00 C ATOM 1053 CG ARG A 66 -19.626 22.698 -4.658 1.00 0.00 C ATOM 1054 CD ARG A 66 -19.447 23.418 -5.998 1.00 0.00 C ATOM 1055 NE ARG A 66 -18.605 22.627 -6.889 1.00 0.00 N ATOM 1056 CZ ARG A 66 -18.386 23.003 -8.144 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -18.939 24.092 -8.605 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -17.621 22.281 -8.916 1.00 0.00 N ATOM 0 H ARG A 66 -16.296 21.653 -2.843 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.867 22.418 -2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.523 22.954 -4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.942 21.359 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -20.335 21.877 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.041 23.382 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.419 23.587 -6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.997 24.397 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.176 21.769 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.539 24.654 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.771 24.381 -9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.192 21.429 -8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.452 22.569 -9.880 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.593 19.244 -2.941 1.00 0.00 N ATOM 1073 CA LEU A 67 -19.313 17.971 -2.924 1.00 0.00 C ATOM 1074 C LEU A 67 -19.949 17.727 -1.553 1.00 0.00 C ATOM 1075 O LEU A 67 -20.899 16.954 -1.430 1.00 0.00 O ATOM 1076 CB LEU A 67 -18.353 16.817 -3.266 1.00 0.00 C ATOM 1077 CG LEU A 67 -18.853 16.028 -4.484 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -20.246 15.458 -4.206 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.906 16.942 -5.712 1.00 0.00 C ATOM 0 H LEU A 67 -17.596 19.168 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.105 18.015 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.359 17.215 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.261 16.150 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 67 -18.164 15.206 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.591 14.900 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.202 14.793 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.939 16.274 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.262 16.375 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.585 17.772 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.909 17.330 -5.920 1.00 0.00 H new ATOM 1091 N SER A 68 -19.412 18.378 -0.524 1.00 0.00 N ATOM 1092 CA SER A 68 -19.933 18.207 0.833 1.00 0.00 C ATOM 1093 C SER A 68 -21.362 18.738 0.957 1.00 0.00 C ATOM 1094 O SER A 68 -22.241 18.052 1.479 1.00 0.00 O ATOM 1095 CB SER A 68 -19.029 18.937 1.826 1.00 0.00 C ATOM 1096 OG SER A 68 -17.687 18.505 1.643 1.00 0.00 O ATOM 0 H SER A 68 -18.625 19.022 -0.600 1.00 0.00 H new ATOM 0 HA SER A 68 -19.948 17.140 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.100 20.014 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.353 18.735 2.847 1.00 0.00 H new ATOM 0 HG SER A 68 -17.258 19.052 0.952 1.00 0.00 H new ATOM 1102 N THR A 69 -21.588 19.955 0.468 1.00 0.00 N ATOM 1103 CA THR A 69 -22.918 20.563 0.522 1.00 0.00 C ATOM 1104 C THR A 69 -23.542 20.553 -0.866 1.00 0.00 C ATOM 1105 O THR A 69 -24.736 20.302 -1.031 1.00 0.00 O ATOM 1106 CB THR A 69 -22.818 22.003 1.033 1.00 0.00 C ATOM 1107 OG1 THR A 69 -21.796 22.686 0.319 1.00 0.00 O ATOM 1108 CG2 THR A 69 -22.484 21.995 2.524 1.00 0.00 C ATOM 0 H THR A 69 -20.873 20.538 0.032 1.00 0.00 H new ATOM 0 HA THR A 69 -23.544 19.988 1.204 1.00 0.00 H new ATOM 0 HB THR A 69 -23.770 22.511 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 69 -21.731 23.609 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 69 -22.413 23.021 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 69 -23.268 21.471 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 69 -21.532 21.488 2.681 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.703 20.812 -1.857 1.00 0.00 N ATOM 1117 CA ARG A 70 -23.129 20.823 -3.254 1.00 0.00 C ATOM 1118 C ARG A 70 -24.043 22.010 -3.557 1.00 0.00 C ATOM 1119 O ARG A 70 -23.603 22.995 -4.151 1.00 0.00 O ATOM 1120 CB ARG A 70 -23.834 19.506 -3.595 1.00 0.00 C ATOM 1121 CG ARG A 70 -23.757 19.270 -5.104 1.00 0.00 C ATOM 1122 CD ARG A 70 -24.599 18.051 -5.477 1.00 0.00 C ATOM 1123 NE ARG A 70 -24.464 17.761 -6.900 1.00 0.00 N ATOM 1124 CZ ARG A 70 -25.190 18.409 -7.804 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -26.039 19.324 -7.426 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -25.054 18.130 -9.072 1.00 0.00 N ATOM 0 H ARG A 70 -21.714 21.020 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 70 -22.240 20.928 -3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -23.365 18.680 -3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -24.875 19.543 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -24.116 20.150 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -22.721 19.115 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -24.282 17.188 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -25.645 18.235 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 70 -23.801 17.049 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -26.146 19.543 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -26.596 19.821 -8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -24.390 17.414 -9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -25.611 18.628 -9.766 1.00 0.00 H new ATOM 1140 N ARG A 71 -25.310 21.909 -3.162 1.00 0.00 N ATOM 1141 CA ARG A 71 -26.272 22.980 -3.413 1.00 0.00 C ATOM 1142 C ARG A 71 -27.065 23.305 -2.154 1.00 0.00 C ATOM 1143 O ARG A 71 -27.267 22.449 -1.293 1.00 0.00 O ATOM 1144 CB ARG A 71 -27.230 22.565 -4.531 1.00 0.00 C ATOM 1145 CG ARG A 71 -26.492 22.598 -5.871 1.00 0.00 C ATOM 1146 CD ARG A 71 -27.467 22.263 -7.000 1.00 0.00 C ATOM 1147 NE ARG A 71 -28.389 23.372 -7.211 1.00 0.00 N ATOM 1148 CZ ARG A 71 -28.049 24.415 -7.961 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -26.876 24.451 -8.534 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -28.886 25.402 -8.126 1.00 0.00 N ATOM 0 H ARG A 71 -25.693 21.102 -2.670 1.00 0.00 H new ATOM 0 HA ARG A 71 -25.721 23.871 -3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -27.616 21.564 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -28.087 23.238 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -26.056 23.584 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -25.669 21.883 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -26.916 22.058 -7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -28.024 21.359 -6.754 1.00 0.00 H new ATOM 0 HE ARG A 71 -29.311 23.347 -6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -26.222 23.679 -8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -26.614 25.251 -9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -29.802 25.374 -7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -28.624 26.202 -8.702 1.00 0.00 H new ATOM 1164 N ARG A 72 -27.512 24.552 -2.057 1.00 0.00 N ATOM 1165 CA ARG A 72 -28.282 24.994 -0.903 1.00 0.00 C ATOM 1166 C ARG A 72 -29.670 24.361 -0.910 1.00 0.00 C ATOM 1167 O ARG A 72 -29.745 23.145 -0.986 1.00 0.00 O ATOM 1168 CB ARG A 72 -28.413 26.517 -0.919 1.00 0.00 C ATOM 1169 CG ARG A 72 -27.019 27.147 -0.961 1.00 0.00 C ATOM 1170 CD ARG A 72 -27.142 28.668 -0.863 1.00 0.00 C ATOM 1171 NE ARG A 72 -28.014 29.175 -1.918 1.00 0.00 N ATOM 1172 CZ ARG A 72 -28.333 30.463 -1.986 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -27.867 31.298 -1.098 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -29.112 30.892 -2.940 1.00 0.00 N ATOM 1175 OXT ARG A 72 -30.637 25.100 -0.842 1.00 0.00 O ATOM 0 H ARG A 72 -27.354 25.272 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 72 -27.759 24.683 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -28.994 26.834 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -28.951 26.856 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -26.412 26.767 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -26.512 26.872 -1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -27.541 28.945 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -26.156 29.125 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.385 28.529 -2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -27.258 30.962 -0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -28.112 32.287 -1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.476 30.239 -3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -29.357 31.881 -2.992 1.00 0.00 H new TER 1189 ARG A 72