USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 167:sc= -0.0283 (180deg=-0.236) USER MOD Single : A 2 ASN : amide:sc= 0.0129 K(o=0.013,f=-5.2!) USER MOD Single : A 6 SER OG : rot 92:sc= -0.18 USER MOD Single : A 8 MET CE :methyl -171:sc= -0.685 (180deg=-0.871) USER MOD Single : A -4 LYS NZ :NH3+ -145:sc= 0.955 (180deg=0.0683) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 165:sc= 1.25 (180deg=1.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.998 K(o=-1,f=-1.7) USER MOD Single : A 19 ASN : amide:sc= -2.24! K(o=-2.2!,f=-2.8) USER MOD Single : A 20 SER OG : rot -79:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -1.27 (180deg=-2.85!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -0.0833 (180deg=-0.397) USER MOD Single : A 56 MET CE :methyl -163:sc= -0.137 (180deg=-0.597) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.081 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -35.632 10.978 4.425 1.00 20.00 N ATOM 2 CA MET A -7 -36.315 12.283 4.551 1.00 20.00 C ATOM 3 C MET A -7 -35.620 13.165 5.587 1.00 20.00 C ATOM 4 O MET A -7 -34.725 13.936 5.246 1.00 20.00 O ATOM 5 CB MET A -7 -37.790 12.083 4.910 1.00 20.00 C ATOM 6 CG MET A -7 -38.645 11.589 3.750 1.00 20.00 C ATOM 7 SD MET A -7 -38.110 9.991 3.102 1.00 20.00 S ATOM 8 CE MET A -7 -39.318 9.737 1.804 1.00 20.00 C ATOM 0 H1 MET A -7 -36.249 10.310 3.920 1.00 20.00 H new ATOM 0 H2 MET A -7 -34.746 11.100 3.894 1.00 20.00 H new ATOM 0 H3 MET A -7 -35.419 10.605 5.372 1.00 20.00 H new ATOM 0 HA MET A -7 -36.261 12.791 3.588 1.00 20.00 H new ATOM 0 HB2 MET A -7 -37.861 11.369 5.731 1.00 20.00 H new ATOM 0 HB3 MET A -7 -38.197 13.027 5.273 1.00 20.00 H new ATOM 0 HG2 MET A -7 -39.682 11.512 4.078 1.00 20.00 H new ATOM 0 HG3 MET A -7 -38.618 12.326 2.948 1.00 20.00 H new ATOM 0 HE1 MET A -7 -39.123 8.787 1.306 1.00 20.00 H new ATOM 0 HE2 MET A -7 -40.319 9.721 2.236 1.00 20.00 H new ATOM 0 HE3 MET A -7 -39.249 10.548 1.079 1.00 20.00 H new ATOM 20 N ASP A -6 -36.012 13.037 6.851 1.00 20.00 N ATOM 21 CA ASP A -6 -35.423 13.848 7.916 1.00 20.00 C ATOM 22 C ASP A -6 -34.076 13.291 8.349 1.00 20.00 C ATOM 23 O ASP A -6 -33.079 14.013 8.396 1.00 20.00 O ATOM 24 CB ASP A -6 -36.350 13.924 9.130 1.00 20.00 C ATOM 25 CG ASP A -6 -35.693 14.636 10.300 1.00 20.00 C ATOM 26 OD1 ASP A -6 -35.695 15.886 10.324 1.00 20.00 O ATOM 27 OD2 ASP A -6 -35.155 13.953 11.195 1.00 20.00 O ATOM 0 H ASP A -6 -36.731 12.384 7.164 1.00 20.00 H new ATOM 0 HA ASP A -6 -35.281 14.851 7.513 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -37.266 14.446 8.855 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -36.636 12.917 9.432 1.00 20.00 H new ATOM 32 N TYR A -5 -34.054 12.007 8.664 1.00 20.00 N ATOM 33 CA TYR A -5 -32.836 11.353 9.117 1.00 20.00 C ATOM 34 C TYR A -5 -31.927 11.073 7.930 1.00 20.00 C ATOM 35 O TYR A -5 -32.021 10.023 7.294 1.00 20.00 O ATOM 36 CB TYR A -5 -33.159 10.054 9.861 1.00 20.00 C ATOM 37 CG TYR A -5 -34.054 10.257 11.063 1.00 20.00 C ATOM 38 CD1 TYR A -5 -33.566 10.842 12.224 1.00 20.00 C ATOM 39 CD2 TYR A -5 -35.387 9.868 11.034 1.00 20.00 C ATOM 40 CE1 TYR A -5 -34.381 11.033 13.322 1.00 20.00 C ATOM 41 CE2 TYR A -5 -36.208 10.056 12.127 1.00 20.00 C ATOM 42 CZ TYR A -5 -35.701 10.637 13.269 1.00 20.00 C ATOM 43 OH TYR A -5 -36.517 10.826 14.363 1.00 20.00 O ATOM 0 H TYR A -5 -34.868 11.394 8.614 1.00 20.00 H new ATOM 0 HA TYR A -5 -32.321 12.019 9.809 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -33.640 9.360 9.172 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -32.228 9.588 10.185 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -32.533 11.153 12.269 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -35.788 9.411 10.141 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -33.987 11.490 14.218 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -37.243 9.749 12.088 1.00 20.00 H new ATOM 0 HH TYR A -5 -37.417 10.494 14.161 1.00 20.00 H new ATOM 53 N LYS A -4 -31.052 12.023 7.634 1.00 20.00 N ATOM 54 CA LYS A -4 -30.188 11.936 6.468 1.00 20.00 C ATOM 55 C LYS A -4 -28.846 11.331 6.847 1.00 20.00 C ATOM 56 O LYS A -4 -27.935 11.238 6.022 1.00 20.00 O ATOM 57 CB LYS A -4 -29.989 13.325 5.854 1.00 20.00 C ATOM 58 CG LYS A -4 -31.289 14.006 5.448 1.00 20.00 C ATOM 59 CD LYS A -4 -31.045 15.428 4.972 1.00 20.00 C ATOM 60 CE LYS A -4 -32.346 16.132 4.617 1.00 20.00 C ATOM 61 NZ LYS A -4 -33.067 15.447 3.511 1.00 20.00 N ATOM 0 H LYS A -4 -30.922 12.868 8.190 1.00 20.00 H new ATOM 0 HA LYS A -4 -30.663 11.290 5.729 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -29.466 13.958 6.571 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -29.346 13.237 4.978 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -31.770 13.433 4.655 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -31.976 14.017 6.295 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -30.528 15.989 5.751 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -30.390 15.413 4.101 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -32.988 16.173 5.497 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -32.134 17.162 4.329 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -33.545 16.155 2.917 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -32.388 14.912 2.933 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -33.773 14.795 3.908 1.00 20.00 H new ATOM 75 N ASP A -3 -28.729 10.923 8.099 1.00 20.00 N ATOM 76 CA ASP A -3 -27.518 10.284 8.579 1.00 20.00 C ATOM 77 C ASP A -3 -27.623 8.776 8.394 1.00 20.00 C ATOM 78 O ASP A -3 -28.634 8.160 8.736 1.00 20.00 O ATOM 79 CB ASP A -3 -27.271 10.624 10.057 1.00 20.00 C ATOM 80 CG ASP A -3 -28.309 10.029 10.991 1.00 20.00 C ATOM 81 OD1 ASP A -3 -29.381 10.645 11.170 1.00 20.00 O ATOM 82 OD2 ASP A -3 -28.055 8.949 11.564 1.00 20.00 O ATOM 0 H ASP A -3 -29.461 11.024 8.802 1.00 20.00 H new ATOM 0 HA ASP A -3 -26.674 10.657 8.000 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -26.284 10.264 10.346 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -27.263 11.707 10.177 1.00 20.00 H new ATOM 87 N ASP A -2 -26.593 8.191 7.811 1.00 20.00 N ATOM 88 CA ASP A -2 -26.535 6.748 7.642 1.00 20.00 C ATOM 89 C ASP A -2 -25.922 6.133 8.885 1.00 20.00 C ATOM 90 O ASP A -2 -26.443 5.171 9.443 1.00 20.00 O ATOM 91 CB ASP A -2 -25.709 6.369 6.407 1.00 20.00 C ATOM 92 CG ASP A -2 -26.326 6.851 5.108 1.00 20.00 C ATOM 93 OD1 ASP A -2 -26.144 8.037 4.759 1.00 20.00 O ATOM 94 OD2 ASP A -2 -26.985 6.043 4.419 1.00 20.00 O ATOM 0 H ASP A -2 -25.783 8.692 7.446 1.00 20.00 H new ATOM 0 HA ASP A -2 -27.546 6.368 7.496 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -24.708 6.788 6.504 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -25.598 5.285 6.370 1.00 20.00 H new ATOM 99 N ASP A -1 -24.818 6.720 9.314 1.00 20.00 N ATOM 100 CA ASP A -1 -24.144 6.320 10.541 1.00 20.00 C ATOM 101 C ASP A -1 -23.143 7.393 10.943 1.00 20.00 C ATOM 102 O ASP A -1 -21.949 7.281 10.667 1.00 20.00 O ATOM 103 CB ASP A -1 -23.436 4.970 10.373 1.00 20.00 C ATOM 104 CG ASP A -1 -22.812 4.478 11.666 1.00 20.00 C ATOM 105 OD1 ASP A -1 -23.545 3.923 12.504 1.00 20.00 O ATOM 106 OD2 ASP A -1 -21.590 4.642 11.850 1.00 20.00 O ATOM 0 H ASP A -1 -24.362 7.488 8.822 1.00 20.00 H new ATOM 0 HA ASP A -1 -24.892 6.206 11.325 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -24.151 4.230 10.014 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -22.662 5.061 9.611 1.00 20.00 H new ATOM 111 N ASP A 0 -23.640 8.458 11.551 1.00 20.00 N ATOM 112 CA ASP A 0 -22.776 9.534 12.012 1.00 20.00 C ATOM 113 C ASP A 0 -22.336 9.276 13.442 1.00 20.00 C ATOM 114 O ASP A 0 -21.152 9.331 13.760 1.00 20.00 O ATOM 115 CB ASP A 0 -23.484 10.888 11.918 1.00 20.00 C ATOM 116 CG ASP A 0 -22.619 12.029 12.423 1.00 20.00 C ATOM 117 OD1 ASP A 0 -21.789 12.545 11.646 1.00 20.00 O ATOM 118 OD2 ASP A 0 -22.766 12.419 13.599 1.00 20.00 O ATOM 0 H ASP A 0 -24.633 8.601 11.736 1.00 20.00 H new ATOM 0 HA ASP A 0 -21.898 9.563 11.367 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -23.763 11.078 10.882 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -24.408 10.853 12.495 1.00 20.00 H new ATOM 123 N LYS A 1 -23.302 8.996 14.303 1.00 20.00 N ATOM 124 CA LYS A 1 -23.007 8.677 15.689 1.00 20.00 C ATOM 125 C LYS A 1 -22.880 7.170 15.851 1.00 20.00 C ATOM 126 O LYS A 1 -21.810 6.666 16.198 1.00 20.00 O ATOM 127 CB LYS A 1 -24.105 9.212 16.616 1.00 20.00 C ATOM 128 CG LYS A 1 -24.327 10.715 16.510 1.00 20.00 C ATOM 129 CD LYS A 1 -23.084 11.501 16.897 1.00 20.00 C ATOM 130 CE LYS A 1 -23.318 13.001 16.797 1.00 20.00 C ATOM 131 NZ LYS A 1 -24.391 13.464 17.720 1.00 20.00 N ATOM 0 H LYS A 1 -24.294 8.983 14.066 1.00 20.00 H new ATOM 0 HA LYS A 1 -22.065 9.153 15.963 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -25.040 8.700 16.388 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -23.849 8.965 17.646 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -24.614 10.968 15.489 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -25.156 11.006 17.155 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -22.793 11.244 17.916 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -22.256 11.217 16.248 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -22.392 13.528 17.026 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -23.586 13.258 15.772 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -24.370 14.502 17.784 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -25.317 13.159 17.357 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -24.237 13.055 18.664 1.00 20.00 H new ATOM 145 N ASN A 2 -23.973 6.467 15.562 1.00 20.00 N ATOM 146 CA ASN A 2 -24.008 5.007 15.595 1.00 20.00 C ATOM 147 C ASN A 2 -25.409 4.516 15.256 1.00 20.00 C ATOM 148 O ASN A 2 -26.240 4.298 16.141 1.00 20.00 O ATOM 149 CB ASN A 2 -23.588 4.456 16.960 1.00 20.00 C ATOM 150 CG ASN A 2 -23.562 2.937 16.982 1.00 20.00 C ATOM 151 OD1 ASN A 2 -23.322 2.292 15.957 1.00 20.00 O ATOM 152 ND2 ASN A 2 -23.810 2.353 18.143 1.00 20.00 N ATOM 0 H ASN A 2 -24.861 6.895 15.298 1.00 20.00 H new ATOM 0 HA ASN A 2 -23.296 4.644 14.854 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -22.600 4.838 17.216 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -24.277 4.817 17.723 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -23.807 1.335 18.213 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -24.004 2.920 18.968 1.00 20.00 H new ATOM 159 N ARG A 3 -25.671 4.360 13.971 1.00 20.00 N ATOM 160 CA ARG A 3 -26.960 3.884 13.504 1.00 20.00 C ATOM 161 C ARG A 3 -26.810 2.480 12.928 1.00 20.00 C ATOM 162 O ARG A 3 -27.779 1.732 12.805 1.00 20.00 O ATOM 163 CB ARG A 3 -27.530 4.844 12.448 1.00 20.00 C ATOM 164 CG ARG A 3 -28.909 4.450 11.939 1.00 20.00 C ATOM 165 CD ARG A 3 -29.409 5.392 10.852 1.00 20.00 C ATOM 166 NE ARG A 3 -29.652 6.746 11.350 1.00 20.00 N ATOM 167 CZ ARG A 3 -30.838 7.186 11.771 1.00 20.00 C ATOM 168 NH1 ARG A 3 -31.894 6.376 11.779 1.00 20.00 N ATOM 169 NH2 ARG A 3 -30.971 8.442 12.175 1.00 20.00 N ATOM 0 H ARG A 3 -25.002 4.558 13.227 1.00 20.00 H new ATOM 0 HA ARG A 3 -27.655 3.848 14.343 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -27.583 5.846 12.873 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -26.842 4.891 11.604 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -28.874 3.433 11.549 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -29.615 4.449 12.770 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -28.677 5.431 10.045 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -30.331 4.994 10.427 1.00 20.00 H new ATOM 0 HE ARG A 3 -28.865 7.394 11.377 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -31.799 5.411 11.462 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -32.798 6.720 12.103 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -30.167 9.069 12.163 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -31.877 8.781 12.497 1.00 20.00 H new ATOM 183 N ALA A 4 -25.579 2.123 12.585 1.00 20.00 N ATOM 184 CA ALA A 4 -25.295 0.812 12.024 1.00 20.00 C ATOM 185 C ALA A 4 -25.315 -0.261 13.106 1.00 20.00 C ATOM 186 O ALA A 4 -25.682 -1.408 12.848 1.00 20.00 O ATOM 187 CB ALA A 4 -23.955 0.822 11.301 1.00 20.00 C ATOM 0 H ALA A 4 -24.762 2.725 12.686 1.00 20.00 H new ATOM 0 HA ALA A 4 -26.076 0.575 11.302 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -23.758 -0.167 10.887 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -23.982 1.554 10.494 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -23.164 1.086 12.004 1.00 20.00 H new ATOM 193 N LEU A 5 -24.924 0.114 14.319 1.00 20.00 N ATOM 194 CA LEU A 5 -24.895 -0.826 15.433 1.00 20.00 C ATOM 195 C LEU A 5 -25.756 -0.328 16.589 1.00 20.00 C ATOM 196 O LEU A 5 -25.291 -0.210 17.727 1.00 20.00 O ATOM 197 CB LEU A 5 -23.459 -1.074 15.916 1.00 20.00 C ATOM 198 CG LEU A 5 -22.599 -1.967 15.012 1.00 20.00 C ATOM 199 CD1 LEU A 5 -22.128 -1.218 13.776 1.00 20.00 C ATOM 200 CD2 LEU A 5 -21.412 -2.516 15.782 1.00 20.00 C ATOM 0 H LEU A 5 -24.624 1.060 14.555 1.00 20.00 H new ATOM 0 HA LEU A 5 -25.304 -1.770 15.073 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -22.960 -0.111 16.025 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -23.501 -1.525 16.907 1.00 20.00 H new ATOM 0 HG LEU A 5 -23.220 -2.800 14.681 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -21.522 -1.880 13.158 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -22.992 -0.879 13.205 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -21.532 -0.357 14.078 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -20.813 -3.147 15.126 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -20.802 -1.690 16.147 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -21.768 -3.106 16.627 1.00 20.00 H new ATOM 212 N SER A 6 -27.007 -0.030 16.289 1.00 20.00 N ATOM 213 CA SER A 6 -27.958 0.389 17.304 1.00 20.00 C ATOM 214 C SER A 6 -28.505 -0.828 18.050 1.00 20.00 C ATOM 215 O SER A 6 -28.807 -1.851 17.439 1.00 20.00 O ATOM 216 CB SER A 6 -29.101 1.175 16.657 1.00 20.00 C ATOM 217 OG SER A 6 -28.599 2.250 15.878 1.00 20.00 O ATOM 0 H SER A 6 -27.390 -0.071 15.345 1.00 20.00 H new ATOM 0 HA SER A 6 -27.449 1.035 18.020 1.00 20.00 H new ATOM 0 HB2 SER A 6 -29.694 0.511 16.028 1.00 20.00 H new ATOM 0 HB3 SER A 6 -29.766 1.560 17.430 1.00 20.00 H new ATOM 0 HG SER A 6 -28.472 1.952 14.953 1.00 20.00 H new ATOM 223 N PRO A 7 -28.616 -0.746 19.381 1.00 20.00 N ATOM 224 CA PRO A 7 -29.146 -1.837 20.198 1.00 20.00 C ATOM 225 C PRO A 7 -30.674 -1.864 20.221 1.00 20.00 C ATOM 226 O PRO A 7 -31.293 -1.652 21.266 1.00 20.00 O ATOM 227 CB PRO A 7 -28.593 -1.515 21.584 1.00 20.00 C ATOM 228 CG PRO A 7 -28.512 -0.027 21.615 1.00 20.00 C ATOM 229 CD PRO A 7 -28.219 0.412 20.202 1.00 20.00 C ATOM 0 HA PRO A 7 -28.859 -2.817 19.818 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -29.246 -1.894 22.370 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -27.614 -1.969 21.737 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -29.447 0.406 21.970 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -27.728 0.305 22.296 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -28.786 1.304 19.935 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -27.164 0.653 20.069 1.00 20.00 H new ATOM 237 N MET A 8 -31.283 -2.116 19.067 1.00 20.00 N ATOM 238 CA MET A 8 -32.737 -2.194 18.984 1.00 20.00 C ATOM 239 C MET A 8 -33.223 -3.485 19.628 1.00 20.00 C ATOM 240 O MET A 8 -32.512 -4.490 19.633 1.00 20.00 O ATOM 241 CB MET A 8 -33.231 -2.107 17.530 1.00 20.00 C ATOM 242 CG MET A 8 -32.898 -3.322 16.672 1.00 20.00 C ATOM 243 SD MET A 8 -31.176 -3.362 16.135 1.00 20.00 S ATOM 244 CE MET A 8 -31.119 -1.912 15.083 1.00 20.00 C ATOM 0 H MET A 8 -30.797 -2.269 18.183 1.00 20.00 H new ATOM 0 HA MET A 8 -33.149 -1.341 19.522 1.00 20.00 H new ATOM 0 HB2 MET A 8 -34.312 -1.968 17.535 1.00 20.00 H new ATOM 0 HB3 MET A 8 -32.798 -1.221 17.066 1.00 20.00 H new ATOM 0 HG2 MET A 8 -33.117 -4.228 17.236 1.00 20.00 H new ATOM 0 HG3 MET A 8 -33.546 -3.328 15.795 1.00 20.00 H new ATOM 0 HE1 MET A 8 -30.169 -1.887 14.549 1.00 20.00 H new ATOM 0 HE2 MET A 8 -31.938 -1.951 14.365 1.00 20.00 H new ATOM 0 HE3 MET A 8 -31.215 -1.015 15.695 1.00 20.00 H new ATOM 254 N VAL A 9 -34.424 -3.458 20.184 1.00 20.00 N ATOM 255 CA VAL A 9 -34.958 -4.621 20.874 1.00 20.00 C ATOM 256 C VAL A 9 -36.225 -5.111 20.192 1.00 20.00 C ATOM 257 O VAL A 9 -37.272 -4.464 20.270 1.00 20.00 O ATOM 258 CB VAL A 9 -35.255 -4.323 22.360 1.00 20.00 C ATOM 259 CG1 VAL A 9 -35.732 -5.581 23.075 1.00 20.00 C ATOM 260 CG2 VAL A 9 -34.027 -3.749 23.051 1.00 20.00 C ATOM 0 H VAL A 9 -35.044 -2.648 20.171 1.00 20.00 H new ATOM 0 HA VAL A 9 -34.195 -5.398 20.829 1.00 20.00 H new ATOM 0 HB VAL A 9 -36.051 -3.579 22.405 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -35.936 -5.350 24.121 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -36.642 -5.946 22.600 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -34.959 -6.348 23.017 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -34.259 -3.547 24.097 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -33.208 -4.466 22.993 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -33.733 -2.822 22.559 1.00 20.00 H new ATOM 270 N SER A 10 -36.107 -6.245 19.505 1.00 20.00 N ATOM 271 CA SER A 10 -37.229 -6.854 18.799 1.00 20.00 C ATOM 272 C SER A 10 -37.766 -5.902 17.735 1.00 20.00 C ATOM 273 O SER A 10 -38.969 -5.651 17.646 1.00 20.00 O ATOM 274 CB SER A 10 -38.323 -7.245 19.795 1.00 20.00 C ATOM 275 OG SER A 10 -37.794 -8.072 20.822 1.00 20.00 O ATOM 0 H SER A 10 -35.233 -6.765 19.423 1.00 20.00 H new ATOM 0 HA SER A 10 -36.886 -7.758 18.296 1.00 20.00 H new ATOM 0 HB2 SER A 10 -38.761 -6.348 20.233 1.00 20.00 H new ATOM 0 HB3 SER A 10 -39.125 -7.770 19.275 1.00 20.00 H new ATOM 0 HG SER A 10 -38.507 -8.310 21.450 1.00 20.00 H new ATOM 281 N GLU A 11 -36.852 -5.370 16.934 1.00 20.00 N ATOM 282 CA GLU A 11 -37.193 -4.407 15.898 1.00 20.00 C ATOM 283 C GLU A 11 -36.505 -4.773 14.591 1.00 20.00 C ATOM 284 O GLU A 11 -35.769 -3.971 14.017 1.00 20.00 O ATOM 285 CB GLU A 11 -36.770 -2.998 16.324 1.00 20.00 C ATOM 286 CG GLU A 11 -37.409 -2.518 17.614 1.00 20.00 C ATOM 287 CD GLU A 11 -36.795 -1.234 18.119 1.00 20.00 C ATOM 288 OE1 GLU A 11 -37.019 -0.178 17.493 1.00 20.00 O ATOM 289 OE2 GLU A 11 -36.075 -1.278 19.140 1.00 20.00 O ATOM 0 H GLU A 11 -35.858 -5.593 16.984 1.00 20.00 H new ATOM 0 HA GLU A 11 -38.273 -4.427 15.751 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -35.686 -2.976 16.439 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -37.021 -2.299 15.526 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -38.477 -2.368 17.453 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -37.307 -3.291 18.376 1.00 20.00 H new ATOM 296 N PHE A 12 -36.739 -5.989 14.130 1.00 20.00 N ATOM 297 CA PHE A 12 -36.130 -6.461 12.895 1.00 20.00 C ATOM 298 C PHE A 12 -36.732 -5.747 11.690 1.00 20.00 C ATOM 299 O PHE A 12 -37.957 -5.677 11.541 1.00 20.00 O ATOM 300 CB PHE A 12 -36.309 -7.975 12.753 1.00 20.00 C ATOM 301 CG PHE A 12 -35.619 -8.564 11.551 1.00 20.00 C ATOM 302 CD1 PHE A 12 -34.257 -8.824 11.575 1.00 20.00 C ATOM 303 CD2 PHE A 12 -36.333 -8.861 10.398 1.00 20.00 C ATOM 304 CE1 PHE A 12 -33.623 -9.367 10.474 1.00 20.00 C ATOM 305 CE2 PHE A 12 -35.702 -9.404 9.295 1.00 20.00 C ATOM 306 CZ PHE A 12 -34.345 -9.657 9.333 1.00 20.00 C ATOM 0 H PHE A 12 -37.345 -6.668 14.590 1.00 20.00 H new ATOM 0 HA PHE A 12 -35.064 -6.236 12.935 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -35.929 -8.461 13.652 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -37.374 -8.201 12.695 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -33.686 -8.600 12.464 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -37.395 -8.665 10.363 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -32.562 -9.565 10.506 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -36.269 -9.630 8.404 1.00 20.00 H new ATOM 0 HZ PHE A 12 -33.849 -10.081 8.472 1.00 20.00 H new ATOM 316 N GLU A 13 -35.869 -5.210 10.842 1.00 20.00 N ATOM 317 CA GLU A 13 -36.298 -4.555 9.620 1.00 20.00 C ATOM 318 C GLU A 13 -35.298 -4.856 8.515 1.00 20.00 C ATOM 319 O GLU A 13 -34.122 -5.096 8.790 1.00 20.00 O ATOM 320 CB GLU A 13 -36.424 -3.044 9.830 1.00 20.00 C ATOM 321 CG GLU A 13 -37.727 -2.460 9.300 1.00 20.00 C ATOM 322 CD GLU A 13 -37.896 -2.633 7.804 1.00 20.00 C ATOM 323 OE1 GLU A 13 -38.310 -3.729 7.367 1.00 20.00 O ATOM 324 OE2 GLU A 13 -37.623 -1.676 7.054 1.00 20.00 O ATOM 0 H GLU A 13 -34.859 -5.216 10.981 1.00 20.00 H new ATOM 0 HA GLU A 13 -37.279 -4.936 9.336 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -36.345 -2.826 10.895 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -35.587 -2.547 9.340 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -38.564 -2.935 9.811 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -37.767 -1.398 9.543 1.00 20.00 H new ATOM 331 N THR A 14 -35.757 -4.839 7.277 1.00 20.00 N ATOM 332 CA THR A 14 -34.916 -5.207 6.154 1.00 20.00 C ATOM 333 C THR A 14 -34.714 -4.024 5.211 1.00 20.00 C ATOM 334 O THR A 14 -35.468 -3.837 4.254 1.00 20.00 O ATOM 335 CB THR A 14 -35.534 -6.382 5.380 1.00 20.00 C ATOM 336 OG1 THR A 14 -36.006 -7.372 6.303 1.00 20.00 O ATOM 337 CG2 THR A 14 -34.518 -7.009 4.441 1.00 20.00 C ATOM 0 H THR A 14 -36.709 -4.574 7.024 1.00 20.00 H new ATOM 0 HA THR A 14 -33.946 -5.509 6.550 1.00 20.00 H new ATOM 0 HB THR A 14 -36.366 -6.002 4.787 1.00 20.00 H new ATOM 0 HG1 THR A 14 -36.401 -8.119 5.807 1.00 20.00 H new ATOM 0 HG21 THR A 14 -34.981 -7.838 3.905 1.00 20.00 H new ATOM 0 HG22 THR A 14 -34.174 -6.262 3.726 1.00 20.00 H new ATOM 0 HG23 THR A 14 -33.669 -7.378 5.017 1.00 20.00 H new ATOM 345 N ILE A 15 -33.711 -3.214 5.502 1.00 20.00 N ATOM 346 CA ILE A 15 -33.359 -2.099 4.642 1.00 20.00 C ATOM 347 C ILE A 15 -32.253 -2.525 3.685 1.00 20.00 C ATOM 348 O ILE A 15 -31.126 -2.781 4.105 1.00 20.00 O ATOM 349 CB ILE A 15 -32.890 -0.878 5.455 1.00 20.00 C ATOM 350 CG1 ILE A 15 -33.951 -0.475 6.483 1.00 20.00 C ATOM 351 CG2 ILE A 15 -32.592 0.282 4.520 1.00 20.00 C ATOM 352 CD1 ILE A 15 -33.494 0.612 7.431 1.00 20.00 C ATOM 0 H ILE A 15 -33.124 -3.309 6.331 1.00 20.00 H new ATOM 0 HA ILE A 15 -34.251 -1.811 4.085 1.00 20.00 H new ATOM 0 HB ILE A 15 -31.979 -1.144 5.991 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -34.844 -0.135 5.957 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -34.237 -1.354 7.062 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -32.261 1.142 5.102 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -31.808 -0.007 3.820 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -33.494 0.544 3.966 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -34.297 0.846 8.130 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -32.620 0.269 7.984 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.236 1.506 6.863 1.00 20.00 H new ATOM 364 N GLU A 16 -32.578 -2.580 2.398 1.00 20.00 N ATOM 365 CA GLU A 16 -31.697 -3.173 1.393 1.00 20.00 C ATOM 366 C GLU A 16 -30.324 -2.506 1.341 1.00 20.00 C ATOM 367 O GLU A 16 -29.333 -3.154 1.007 1.00 20.00 O ATOM 368 CB GLU A 16 -32.356 -3.115 0.016 1.00 20.00 C ATOM 369 CG GLU A 16 -33.633 -3.936 -0.080 1.00 20.00 C ATOM 370 CD GLU A 16 -34.229 -3.922 -1.468 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.052 -3.028 -1.758 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.882 -4.805 -2.277 1.00 20.00 O ATOM 0 H GLU A 16 -33.454 -2.218 2.021 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.538 -4.211 1.685 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.582 -2.077 -0.227 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.648 -3.470 -0.732 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.422 -4.965 0.210 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.364 -3.548 0.629 1.00 20.00 H new ATOM 379 N GLN A 17 -30.266 -1.223 1.672 1.00 20.00 N ATOM 380 CA GLN A 17 -29.005 -0.489 1.645 1.00 20.00 C ATOM 381 C GLN A 17 -28.020 -1.058 2.663 1.00 20.00 C ATOM 382 O GLN A 17 -26.924 -1.483 2.303 1.00 20.00 O ATOM 383 CB GLN A 17 -29.224 1.008 1.909 1.00 20.00 C ATOM 384 CG GLN A 17 -30.012 1.734 0.824 1.00 20.00 C ATOM 385 CD GLN A 17 -31.497 1.440 0.860 1.00 20.00 C ATOM 386 OE1 GLN A 17 -31.980 0.505 0.225 1.00 20.00 O ATOM 387 NE2 GLN A 17 -32.233 2.235 1.616 1.00 20.00 N ATOM 0 H GLN A 17 -31.073 -0.670 1.961 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.584 -0.604 0.646 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -29.747 1.124 2.859 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -28.253 1.490 2.019 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -29.859 2.808 0.931 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -29.617 1.452 -0.152 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -31.795 3.001 2.128 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -33.239 2.083 1.688 1.00 20.00 H new ATOM 396 N GLU A 18 -28.420 -1.081 3.927 1.00 20.00 N ATOM 397 CA GLU A 18 -27.561 -1.586 4.994 1.00 20.00 C ATOM 398 C GLU A 18 -27.504 -3.112 4.974 1.00 20.00 C ATOM 399 O GLU A 18 -26.490 -3.712 5.322 1.00 20.00 O ATOM 400 CB GLU A 18 -28.060 -1.107 6.365 1.00 20.00 C ATOM 401 CG GLU A 18 -27.822 0.373 6.655 1.00 20.00 C ATOM 402 CD GLU A 18 -28.480 1.304 5.656 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.676 1.119 5.361 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.798 2.228 5.161 1.00 20.00 O ATOM 0 H GLU A 18 -29.334 -0.756 4.241 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.558 -1.195 4.824 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.129 -1.309 6.437 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.571 -1.697 7.140 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.195 0.603 7.653 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.749 0.564 6.664 1.00 20.00 H new ATOM 411 N ASN A 19 -28.597 -3.731 4.550 1.00 20.00 N ATOM 412 CA ASN A 19 -28.700 -5.192 4.535 1.00 20.00 C ATOM 413 C ASN A 19 -27.901 -5.803 3.393 1.00 20.00 C ATOM 414 O ASN A 19 -27.729 -7.016 3.344 1.00 20.00 O ATOM 415 CB ASN A 19 -30.158 -5.662 4.456 1.00 20.00 C ATOM 416 CG ASN A 19 -30.907 -5.516 5.770 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.769 -6.329 6.097 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.598 -4.472 6.525 1.00 20.00 N ATOM 0 H ASN A 19 -29.428 -3.248 4.210 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.277 -5.537 5.478 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.676 -5.091 3.685 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.180 -6.707 4.147 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.081 -4.322 7.411 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -29.877 -3.818 6.221 1.00 20.00 H new ATOM 425 N SER A 20 -27.454 -4.972 2.456 1.00 20.00 N ATOM 426 CA SER A 20 -26.656 -5.442 1.321 1.00 20.00 C ATOM 427 C SER A 20 -25.504 -6.342 1.786 1.00 20.00 C ATOM 428 O SER A 20 -25.257 -7.399 1.204 1.00 20.00 O ATOM 429 CB SER A 20 -26.109 -4.247 0.533 1.00 20.00 C ATOM 430 OG SER A 20 -25.363 -3.380 1.372 1.00 20.00 O ATOM 0 H SER A 20 -27.630 -3.967 2.458 1.00 20.00 H new ATOM 0 HA SER A 20 -27.303 -6.033 0.673 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.477 -4.603 -0.281 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.934 -3.698 0.080 1.00 20.00 H new ATOM 0 HG SER A 20 -25.976 -2.816 1.888 1.00 20.00 H new ATOM 436 N TYR A 21 -24.817 -5.922 2.844 1.00 20.00 N ATOM 437 CA TYR A 21 -23.725 -6.705 3.416 1.00 20.00 C ATOM 438 C TYR A 21 -24.261 -7.979 4.063 1.00 20.00 C ATOM 439 O TYR A 21 -23.656 -9.047 3.958 1.00 20.00 O ATOM 440 CB TYR A 21 -22.958 -5.866 4.444 1.00 20.00 C ATOM 441 CG TYR A 21 -21.785 -6.582 5.080 1.00 20.00 C ATOM 442 CD1 TYR A 21 -20.600 -6.774 4.380 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.860 -7.059 6.383 1.00 20.00 C ATOM 444 CE1 TYR A 21 -19.525 -7.420 4.960 1.00 20.00 C ATOM 445 CE2 TYR A 21 -20.789 -7.707 6.969 1.00 20.00 C ATOM 446 CZ TYR A 21 -19.625 -7.884 6.253 1.00 20.00 C ATOM 447 OH TYR A 21 -18.555 -8.526 6.836 1.00 20.00 O ATOM 0 H TYR A 21 -24.998 -5.041 3.325 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.043 -6.989 2.615 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -22.596 -4.960 3.959 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.647 -5.554 5.229 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -20.518 -6.412 3.366 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -22.770 -6.921 6.947 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -18.611 -7.560 4.402 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.864 -8.073 7.982 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.790 -8.789 7.750 1.00 20.00 H new ATOM 457 N ASN A 22 -25.408 -7.860 4.718 1.00 20.00 N ATOM 458 CA ASN A 22 -26.046 -9.001 5.369 1.00 20.00 C ATOM 459 C ASN A 22 -26.470 -10.041 4.342 1.00 20.00 C ATOM 460 O ASN A 22 -26.465 -11.236 4.625 1.00 20.00 O ATOM 461 CB ASN A 22 -27.255 -8.556 6.194 1.00 20.00 C ATOM 462 CG ASN A 22 -26.863 -7.698 7.378 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.775 -6.477 7.269 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.622 -8.330 8.518 1.00 20.00 N ATOM 0 H ASN A 22 -25.919 -6.982 4.814 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.315 -9.451 6.041 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.941 -7.998 5.556 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.793 -9.435 6.548 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.352 -7.801 9.347 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.706 -9.345 8.566 1.00 20.00 H new ATOM 471 N GLU A 23 -26.829 -9.579 3.149 1.00 20.00 N ATOM 472 CA GLU A 23 -27.188 -10.473 2.058 1.00 20.00 C ATOM 473 C GLU A 23 -26.003 -11.363 1.700 1.00 20.00 C ATOM 474 O GLU A 23 -26.157 -12.563 1.465 1.00 20.00 O ATOM 475 CB GLU A 23 -27.625 -9.677 0.826 1.00 20.00 C ATOM 476 CG GLU A 23 -28.120 -10.557 -0.308 1.00 20.00 C ATOM 477 CD GLU A 23 -28.320 -9.800 -1.601 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.149 -8.868 -1.633 1.00 20.00 O ATOM 479 OE2 GLU A 23 -27.643 -10.136 -2.594 1.00 20.00 O ATOM 0 H GLU A 23 -26.879 -8.588 2.914 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.021 -11.094 2.386 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.416 -8.983 1.111 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -26.787 -9.077 0.473 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -27.405 -11.364 -0.473 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.062 -11.021 -0.016 1.00 20.00 H new ATOM 486 N TRP A 24 -24.818 -10.766 1.679 1.00 20.00 N ATOM 487 CA TRP A 24 -23.601 -11.500 1.373 1.00 20.00 C ATOM 488 C TRP A 24 -23.315 -12.520 2.471 1.00 20.00 C ATOM 489 O TRP A 24 -22.898 -13.645 2.194 1.00 20.00 O ATOM 490 CB TRP A 24 -22.422 -10.535 1.207 1.00 20.00 C ATOM 491 CG TRP A 24 -21.143 -11.216 0.828 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.876 -11.863 -0.344 1.00 20.00 C ATOM 493 CD2 TRP A 24 -19.954 -11.307 1.618 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.597 -12.360 -0.326 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.009 -12.031 0.867 1.00 20.00 C ATOM 496 CE3 TRP A 24 -19.598 -10.851 2.890 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -17.731 -12.306 1.345 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.329 -11.124 3.363 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.410 -11.846 2.593 1.00 20.00 C ATOM 0 H TRP A 24 -24.676 -9.774 1.871 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.738 -12.033 0.432 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.671 -9.797 0.445 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.273 -9.992 2.140 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.570 -11.968 -1.165 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.156 -12.889 -1.079 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.302 -10.296 3.492 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.019 -12.862 0.753 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.041 -10.774 4.343 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.426 -12.044 2.992 1.00 20.00 H new ATOM 510 N LEU A 25 -23.568 -12.129 3.715 1.00 20.00 N ATOM 511 CA LEU A 25 -23.419 -13.036 4.845 1.00 20.00 C ATOM 512 C LEU A 25 -24.427 -14.175 4.735 1.00 20.00 C ATOM 513 O LEU A 25 -24.101 -15.334 4.974 1.00 20.00 O ATOM 514 CB LEU A 25 -23.621 -12.294 6.169 1.00 20.00 C ATOM 515 CG LEU A 25 -22.618 -11.174 6.462 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.967 -10.480 7.769 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.198 -11.719 6.518 1.00 20.00 C ATOM 0 H LEU A 25 -23.877 -11.190 3.966 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.408 -13.443 4.826 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.625 -11.869 6.177 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.576 -13.019 6.981 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.674 -10.447 5.652 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.245 -9.687 7.964 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -23.967 -10.052 7.698 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.939 -11.203 8.584 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.504 -10.905 6.727 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.127 -12.468 7.306 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -20.945 -12.174 5.561 1.00 20.00 H new ATOM 529 N ARG A 26 -25.649 -13.826 4.351 1.00 20.00 N ATOM 530 CA ARG A 26 -26.722 -14.796 4.183 1.00 20.00 C ATOM 531 C ARG A 26 -26.332 -15.840 3.143 1.00 20.00 C ATOM 532 O ARG A 26 -26.556 -17.035 3.338 1.00 20.00 O ATOM 533 CB ARG A 26 -28.019 -14.069 3.785 1.00 20.00 C ATOM 534 CG ARG A 26 -29.249 -14.964 3.671 1.00 20.00 C ATOM 535 CD ARG A 26 -29.439 -15.514 2.264 1.00 20.00 C ATOM 536 NE ARG A 26 -30.651 -16.327 2.161 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.226 -16.669 1.009 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.730 -16.234 -0.144 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.316 -17.430 1.017 1.00 20.00 N ATOM 0 H ARG A 26 -25.923 -12.865 4.148 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.894 -15.314 5.126 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.222 -13.290 4.520 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.860 -13.571 2.828 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.158 -15.793 4.373 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -30.135 -14.398 3.959 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.493 -14.688 1.555 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.573 -16.115 1.988 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.083 -16.652 3.026 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -29.905 -15.635 -0.150 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -31.175 -16.499 -1.023 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.709 -17.749 1.903 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.760 -17.694 0.138 1.00 20.00 H new ATOM 553 N ALA A 27 -25.720 -15.382 2.056 1.00 20.00 N ATOM 554 CA ALA A 27 -25.275 -16.267 0.987 1.00 20.00 C ATOM 555 C ALA A 27 -24.196 -17.229 1.478 1.00 20.00 C ATOM 556 O ALA A 27 -24.071 -18.352 0.982 1.00 20.00 O ATOM 557 CB ALA A 27 -24.756 -15.453 -0.186 1.00 20.00 C ATOM 0 H ALA A 27 -25.520 -14.395 1.892 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.131 -16.858 0.661 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.427 -16.125 -0.978 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.551 -14.810 -0.563 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.917 -14.838 0.140 1.00 20.00 H new ATOM 563 N LYS A 28 -23.429 -16.788 2.463 1.00 20.00 N ATOM 564 CA LYS A 28 -22.351 -17.595 3.016 1.00 20.00 C ATOM 565 C LYS A 28 -22.884 -18.616 4.015 1.00 20.00 C ATOM 566 O LYS A 28 -22.232 -19.620 4.298 1.00 20.00 O ATOM 567 CB LYS A 28 -21.311 -16.705 3.702 1.00 20.00 C ATOM 568 CG LYS A 28 -20.558 -15.785 2.750 1.00 20.00 C ATOM 569 CD LYS A 28 -19.588 -14.869 3.487 1.00 20.00 C ATOM 570 CE LYS A 28 -18.266 -15.557 3.836 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.421 -16.658 4.824 1.00 20.00 N ATOM 0 H LYS A 28 -23.533 -15.871 2.898 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.881 -18.128 2.189 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.809 -16.099 4.459 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.593 -17.338 4.223 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.009 -16.385 2.024 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.272 -15.181 2.189 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.384 -13.993 2.871 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.059 -14.512 4.403 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.820 -15.955 2.925 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.572 -14.816 4.233 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.552 -16.742 5.389 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -19.224 -16.451 5.452 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.596 -17.552 4.323 1.00 20.00 H new ATOM 585 N VAL A 29 -24.070 -18.357 4.550 1.00 20.00 N ATOM 586 CA VAL A 29 -24.636 -19.211 5.580 1.00 20.00 C ATOM 587 C VAL A 29 -25.615 -20.230 5.003 1.00 20.00 C ATOM 588 O VAL A 29 -25.448 -21.437 5.193 1.00 20.00 O ATOM 589 CB VAL A 29 -25.345 -18.382 6.673 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.944 -19.291 7.734 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.378 -17.393 7.302 1.00 20.00 C ATOM 0 H VAL A 29 -24.656 -17.564 4.287 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.799 -19.749 6.026 1.00 20.00 H new ATOM 0 HB VAL A 29 -26.156 -17.823 6.206 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.439 -18.686 8.494 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.671 -19.959 7.272 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.153 -19.880 8.197 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.895 -16.817 8.070 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.546 -17.934 7.752 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.999 -16.717 6.535 1.00 20.00 H new ATOM 601 N ALA A 30 -26.627 -19.753 4.292 1.00 20.00 N ATOM 602 CA ALA A 30 -27.697 -20.622 3.826 1.00 20.00 C ATOM 603 C ALA A 30 -28.251 -20.147 2.489 1.00 20.00 C ATOM 604 O ALA A 30 -28.220 -18.958 2.178 1.00 20.00 O ATOM 605 CB ALA A 30 -28.806 -20.673 4.865 1.00 20.00 C ATOM 0 H ALA A 30 -26.729 -18.773 4.026 1.00 20.00 H new ATOM 0 HA ALA A 30 -27.288 -21.622 3.682 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -29.605 -21.325 4.512 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -28.408 -21.061 5.803 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -29.200 -19.670 5.026 1.00 20.00 H new ATOM 611 N THR A 31 -28.739 -21.086 1.695 1.00 20.00 N ATOM 612 CA THR A 31 -29.336 -20.765 0.411 1.00 20.00 C ATOM 613 C THR A 31 -30.861 -20.799 0.509 1.00 20.00 C ATOM 614 O THR A 31 -31.562 -20.174 -0.286 1.00 20.00 O ATOM 615 CB THR A 31 -28.864 -21.755 -0.671 1.00 20.00 C ATOM 616 OG1 THR A 31 -27.453 -21.976 -0.539 1.00 20.00 O ATOM 617 CG2 THR A 31 -29.159 -21.219 -2.063 1.00 20.00 C ATOM 0 H THR A 31 -28.733 -22.081 1.919 1.00 20.00 H new ATOM 0 HA THR A 31 -29.018 -19.760 0.132 1.00 20.00 H new ATOM 0 HB THR A 31 -29.403 -22.693 -0.536 1.00 20.00 H new ATOM 0 HG1 THR A 31 -27.155 -22.607 -1.227 1.00 20.00 H new ATOM 0 HG21 THR A 31 -28.816 -21.936 -2.809 1.00 20.00 H new ATOM 0 HG22 THR A 31 -30.232 -21.065 -2.174 1.00 20.00 H new ATOM 0 HG23 THR A 31 -28.640 -20.271 -2.205 1.00 20.00 H new ATOM 625 N SER A 32 -31.369 -21.526 1.496 1.00 20.00 N ATOM 626 CA SER A 32 -32.807 -21.631 1.694 1.00 20.00 C ATOM 627 C SER A 32 -33.286 -20.670 2.786 1.00 20.00 C ATOM 628 O SER A 32 -33.834 -19.606 2.491 1.00 20.00 O ATOM 629 CB SER A 32 -33.189 -23.074 2.039 1.00 20.00 C ATOM 630 OG SER A 32 -32.671 -23.982 1.077 1.00 20.00 O ATOM 0 H SER A 32 -30.809 -22.049 2.169 1.00 20.00 H new ATOM 0 HA SER A 32 -33.301 -21.350 0.764 1.00 20.00 H new ATOM 0 HB2 SER A 32 -32.807 -23.329 3.027 1.00 20.00 H new ATOM 0 HB3 SER A 32 -34.274 -23.166 2.084 1.00 20.00 H new ATOM 0 HG SER A 32 -32.926 -24.897 1.320 1.00 20.00 H new ATOM 636 N LEU A 33 -33.060 -21.034 4.042 1.00 20.00 N ATOM 637 CA LEU A 33 -33.529 -20.235 5.167 1.00 20.00 C ATOM 638 C LEU A 33 -32.360 -19.819 6.048 1.00 20.00 C ATOM 639 O LEU A 33 -31.595 -20.665 6.513 1.00 20.00 O ATOM 640 CB LEU A 33 -34.543 -21.027 6.000 1.00 20.00 C ATOM 641 CG LEU A 33 -35.813 -21.466 5.262 1.00 20.00 C ATOM 642 CD1 LEU A 33 -36.659 -22.366 6.148 1.00 20.00 C ATOM 643 CD2 LEU A 33 -36.622 -20.257 4.817 1.00 20.00 C ATOM 0 H LEU A 33 -32.554 -21.879 4.307 1.00 20.00 H new ATOM 0 HA LEU A 33 -34.012 -19.342 4.772 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -34.048 -21.915 6.393 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -34.835 -20.420 6.857 1.00 20.00 H new ATOM 0 HG LEU A 33 -35.515 -22.027 4.376 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -37.556 -22.668 5.608 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -36.085 -23.251 6.421 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -36.943 -21.825 7.050 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -37.519 -20.591 4.295 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -36.907 -19.669 5.689 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -36.020 -19.643 4.147 1.00 20.00 H new ATOM 655 N ALA A 34 -32.214 -18.525 6.275 1.00 20.00 N ATOM 656 CA ALA A 34 -31.122 -18.018 7.093 1.00 20.00 C ATOM 657 C ALA A 34 -31.606 -17.635 8.485 1.00 20.00 C ATOM 658 O ALA A 34 -30.826 -17.602 9.437 1.00 20.00 O ATOM 659 CB ALA A 34 -30.458 -16.834 6.414 1.00 20.00 C ATOM 0 H ALA A 34 -32.836 -17.806 5.906 1.00 20.00 H new ATOM 0 HA ALA A 34 -30.387 -18.815 7.204 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -29.644 -16.466 7.038 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -30.062 -17.144 5.447 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -31.191 -16.040 6.269 1.00 20.00 H new ATOM 665 N ASP A 35 -32.894 -17.352 8.603 1.00 20.00 N ATOM 666 CA ASP A 35 -33.477 -16.982 9.887 1.00 20.00 C ATOM 667 C ASP A 35 -34.680 -17.863 10.198 1.00 20.00 C ATOM 668 O ASP A 35 -35.822 -17.485 9.927 1.00 20.00 O ATOM 669 CB ASP A 35 -33.886 -15.504 9.900 1.00 20.00 C ATOM 670 CG ASP A 35 -32.698 -14.563 9.856 1.00 20.00 C ATOM 671 OD1 ASP A 35 -31.904 -14.554 10.820 1.00 20.00 O ATOM 672 OD2 ASP A 35 -32.547 -13.826 8.860 1.00 20.00 O ATOM 0 H ASP A 35 -33.556 -17.371 7.827 1.00 20.00 H new ATOM 0 HA ASP A 35 -32.720 -17.134 10.657 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -34.534 -15.304 9.046 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -34.470 -15.302 10.798 1.00 20.00 H new ATOM 677 N PRO A 36 -34.441 -19.055 10.766 1.00 20.00 N ATOM 678 CA PRO A 36 -35.509 -20.005 11.082 1.00 20.00 C ATOM 679 C PRO A 36 -36.388 -19.521 12.234 1.00 20.00 C ATOM 680 O PRO A 36 -35.887 -19.059 13.264 1.00 20.00 O ATOM 681 CB PRO A 36 -34.754 -21.280 11.474 1.00 20.00 C ATOM 682 CG PRO A 36 -33.424 -20.807 11.947 1.00 20.00 C ATOM 683 CD PRO A 36 -33.113 -19.568 11.152 1.00 20.00 C ATOM 0 HA PRO A 36 -36.192 -20.146 10.244 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -35.280 -21.826 12.257 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -34.654 -21.957 10.625 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -33.445 -20.589 13.015 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -32.662 -21.570 11.792 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -32.560 -18.840 11.746 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -32.503 -19.796 10.278 1.00 20.00 H new ATOM 691 N ARG A 37 -37.696 -19.626 12.049 1.00 20.00 N ATOM 692 CA ARG A 37 -38.653 -19.200 13.061 1.00 20.00 C ATOM 693 C ARG A 37 -39.006 -20.366 13.979 1.00 20.00 C ATOM 694 O ARG A 37 -38.968 -21.521 13.555 1.00 20.00 O ATOM 695 CB ARG A 37 -39.924 -18.666 12.390 1.00 20.00 C ATOM 696 CG ARG A 37 -39.697 -17.427 11.539 1.00 20.00 C ATOM 697 CD ARG A 37 -39.256 -16.244 12.384 1.00 20.00 C ATOM 698 NE ARG A 37 -39.075 -15.035 11.585 1.00 20.00 N ATOM 699 CZ ARG A 37 -39.004 -13.807 12.094 1.00 20.00 C ATOM 700 NH1 ARG A 37 -39.121 -13.614 13.402 1.00 20.00 N ATOM 701 NH2 ARG A 37 -38.820 -12.768 11.291 1.00 20.00 N ATOM 0 H ARG A 37 -38.121 -20.005 11.203 1.00 20.00 H new ATOM 0 HA ARG A 37 -38.201 -18.406 13.656 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -40.350 -19.451 11.765 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -40.660 -18.436 13.160 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -38.941 -17.637 10.783 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -40.616 -17.175 11.009 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -39.998 -16.057 13.160 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -38.321 -16.488 12.888 1.00 20.00 H new ATOM 0 HE ARG A 37 -38.998 -15.138 10.573 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -39.266 -14.409 14.024 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -39.066 -12.670 13.785 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -38.733 -12.910 10.285 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -38.765 -11.826 11.680 1.00 20.00 H new ATOM 715 N PRO A 38 -39.345 -20.086 15.250 1.00 20.00 N ATOM 716 CA PRO A 38 -39.766 -21.111 16.202 1.00 20.00 C ATOM 717 C PRO A 38 -41.186 -21.586 15.923 1.00 20.00 C ATOM 718 O PRO A 38 -42.120 -21.294 16.678 1.00 20.00 O ATOM 719 CB PRO A 38 -39.702 -20.414 17.568 1.00 20.00 C ATOM 720 CG PRO A 38 -39.110 -19.066 17.319 1.00 20.00 C ATOM 721 CD PRO A 38 -39.343 -18.758 15.868 1.00 20.00 C ATOM 0 HA PRO A 38 -39.134 -21.997 16.144 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -40.695 -20.328 18.008 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -39.091 -20.984 18.268 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -39.577 -18.314 17.955 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -38.045 -19.062 17.550 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -40.288 -18.238 15.712 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -38.558 -18.123 15.458 1.00 20.00 H new ATOM 729 N ALA A 39 -41.339 -22.303 14.826 1.00 20.00 N ATOM 730 CA ALA A 39 -42.629 -22.823 14.422 1.00 20.00 C ATOM 731 C ALA A 39 -42.954 -24.090 15.195 1.00 20.00 C ATOM 732 O ALA A 39 -42.123 -24.994 15.307 1.00 20.00 O ATOM 733 CB ALA A 39 -42.644 -23.087 12.925 1.00 20.00 C ATOM 0 H ALA A 39 -40.575 -22.540 14.193 1.00 20.00 H new ATOM 0 HA ALA A 39 -43.393 -22.080 14.648 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -43.619 -23.478 12.634 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -42.451 -22.157 12.390 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -41.872 -23.816 12.676 1.00 20.00 H new ATOM 739 N ILE A 40 -44.153 -24.145 15.739 1.00 20.00 N ATOM 740 CA ILE A 40 -44.596 -25.308 16.486 1.00 20.00 C ATOM 741 C ILE A 40 -45.347 -26.270 15.577 1.00 20.00 C ATOM 742 O ILE A 40 -46.076 -25.842 14.677 1.00 20.00 O ATOM 743 CB ILE A 40 -45.507 -24.923 17.671 1.00 20.00 C ATOM 744 CG1 ILE A 40 -46.705 -24.098 17.192 1.00 20.00 C ATOM 745 CG2 ILE A 40 -44.709 -24.166 18.719 1.00 20.00 C ATOM 746 CD1 ILE A 40 -47.763 -23.895 18.249 1.00 20.00 C ATOM 0 H ILE A 40 -44.842 -23.395 15.678 1.00 20.00 H new ATOM 0 HA ILE A 40 -43.701 -25.789 16.882 1.00 20.00 H new ATOM 0 HB ILE A 40 -45.893 -25.836 18.124 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -46.352 -23.124 16.852 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -47.154 -24.592 16.331 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -45.361 -23.899 19.550 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -43.897 -24.795 19.083 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -44.296 -23.259 18.277 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -48.580 -23.302 17.837 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -48.145 -24.863 18.572 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -47.330 -23.373 19.102 1.00 20.00 H new ATOM 758 N PRO A 41 -45.155 -27.580 15.783 1.00 20.00 N ATOM 759 CA PRO A 41 -45.907 -28.608 15.063 1.00 20.00 C ATOM 760 C PRO A 41 -47.406 -28.434 15.277 1.00 20.00 C ATOM 761 O PRO A 41 -47.886 -28.488 16.410 1.00 20.00 O ATOM 762 CB PRO A 41 -45.420 -29.920 15.689 1.00 20.00 C ATOM 763 CG PRO A 41 -44.091 -29.594 16.270 1.00 20.00 C ATOM 764 CD PRO A 41 -44.185 -28.166 16.726 1.00 20.00 C ATOM 0 HA PRO A 41 -45.750 -28.568 13.985 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -46.111 -30.273 16.455 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -45.342 -30.710 14.942 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -43.855 -30.256 17.103 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -43.300 -29.717 15.531 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -44.530 -28.094 17.757 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -43.220 -27.662 16.677 1.00 20.00 H new ATOM 772 N HIS A 42 -48.141 -28.226 14.188 1.00 20.00 N ATOM 773 CA HIS A 42 -49.570 -27.918 14.264 1.00 20.00 C ATOM 774 C HIS A 42 -50.356 -29.042 14.937 1.00 20.00 C ATOM 775 O HIS A 42 -51.457 -28.820 15.439 1.00 20.00 O ATOM 776 CB HIS A 42 -50.147 -27.633 12.870 1.00 20.00 C ATOM 777 CG HIS A 42 -49.510 -26.460 12.181 1.00 20.00 C ATOM 778 ND1 HIS A 42 -49.136 -26.479 10.856 1.00 20.00 N ATOM 779 CD2 HIS A 42 -49.189 -25.226 12.640 1.00 20.00 C ATOM 780 CE1 HIS A 42 -48.611 -25.313 10.530 1.00 20.00 C ATOM 781 NE2 HIS A 42 -48.630 -24.532 11.594 1.00 20.00 N ATOM 0 H HIS A 42 -47.771 -28.265 13.238 1.00 20.00 H new ATOM 0 HA HIS A 42 -49.671 -27.022 14.876 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -50.024 -28.519 12.248 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -51.218 -27.453 12.960 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -49.344 -24.856 13.643 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -48.230 -25.043 9.556 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -48.287 -23.572 11.633 1.00 20.00 H new ATOM 790 N ASP A 43 -49.778 -30.240 14.974 1.00 20.00 N ATOM 791 CA ASP A 43 -50.427 -31.375 15.624 1.00 20.00 C ATOM 792 C ASP A 43 -50.472 -31.185 17.139 1.00 20.00 C ATOM 793 O ASP A 43 -51.329 -31.751 17.817 1.00 20.00 O ATOM 794 CB ASP A 43 -49.727 -32.699 15.274 1.00 20.00 C ATOM 795 CG ASP A 43 -48.297 -32.779 15.777 1.00 20.00 C ATOM 796 OD1 ASP A 43 -48.091 -33.130 16.956 1.00 20.00 O ATOM 797 OD2 ASP A 43 -47.368 -32.510 14.984 1.00 20.00 O ATOM 0 H ASP A 43 -48.868 -30.449 14.564 1.00 20.00 H new ATOM 0 HA ASP A 43 -51.449 -31.423 15.249 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -50.299 -33.526 15.696 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -49.731 -32.828 14.192 1.00 20.00 H new ATOM 802 N GLU A 44 -49.566 -30.365 17.664 1.00 20.00 N ATOM 803 CA GLU A 44 -49.536 -30.081 19.094 1.00 20.00 C ATOM 804 C GLU A 44 -50.729 -29.208 19.471 1.00 20.00 C ATOM 805 O GLU A 44 -51.218 -29.240 20.602 1.00 20.00 O ATOM 806 CB GLU A 44 -48.231 -29.383 19.487 1.00 20.00 C ATOM 807 CG GLU A 44 -48.040 -29.270 20.990 1.00 20.00 C ATOM 808 CD GLU A 44 -46.820 -28.461 21.373 1.00 20.00 C ATOM 809 OE1 GLU A 44 -45.705 -29.028 21.411 1.00 20.00 O ATOM 810 OE2 GLU A 44 -46.971 -27.255 21.655 1.00 20.00 O ATOM 0 H GLU A 44 -48.846 -29.887 17.122 1.00 20.00 H new ATOM 0 HA GLU A 44 -49.592 -31.026 19.635 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -47.391 -29.932 19.061 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -48.215 -28.385 19.049 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -48.926 -28.811 21.430 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -47.954 -30.270 21.416 1.00 20.00 H new ATOM 817 N VAL A 45 -51.194 -28.431 18.505 1.00 20.00 N ATOM 818 CA VAL A 45 -52.369 -27.596 18.688 1.00 20.00 C ATOM 819 C VAL A 45 -53.612 -28.473 18.790 1.00 20.00 C ATOM 820 O VAL A 45 -54.454 -28.283 19.669 1.00 20.00 O ATOM 821 CB VAL A 45 -52.521 -26.592 17.525 1.00 20.00 C ATOM 822 CG1 VAL A 45 -53.758 -25.727 17.699 1.00 20.00 C ATOM 823 CG2 VAL A 45 -51.274 -25.729 17.415 1.00 20.00 C ATOM 0 H VAL A 45 -50.771 -28.362 17.579 1.00 20.00 H new ATOM 0 HA VAL A 45 -52.250 -27.028 19.611 1.00 20.00 H new ATOM 0 HB VAL A 45 -52.642 -27.157 16.601 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -53.836 -25.031 16.864 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -54.644 -26.361 17.727 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -53.683 -25.168 18.631 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -51.391 -25.024 16.592 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -51.128 -25.180 18.345 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -50.408 -26.364 17.229 1.00 20.00 H new ATOM 833 N GLU A 46 -53.692 -29.457 17.901 1.00 20.00 N ATOM 834 CA GLU A 46 -54.790 -30.425 17.906 1.00 20.00 C ATOM 835 C GLU A 46 -54.778 -31.235 19.198 1.00 20.00 C ATOM 836 O GLU A 46 -55.827 -31.620 19.719 1.00 20.00 O ATOM 837 CB GLU A 46 -54.675 -31.370 16.706 1.00 20.00 C ATOM 838 CG GLU A 46 -54.503 -30.654 15.375 1.00 20.00 C ATOM 839 CD GLU A 46 -55.773 -29.983 14.892 1.00 20.00 C ATOM 840 OE1 GLU A 46 -56.494 -29.378 15.713 1.00 20.00 O ATOM 841 OE2 GLU A 46 -56.046 -30.046 13.675 1.00 20.00 O ATOM 0 H GLU A 46 -53.006 -29.608 17.162 1.00 20.00 H new ATOM 0 HA GLU A 46 -55.729 -29.876 17.838 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -53.827 -32.038 16.861 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -55.568 -31.994 16.660 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -53.717 -29.905 15.471 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -54.170 -31.371 14.624 1.00 20.00 H new ATOM 848 N ARG A 47 -53.579 -31.487 19.705 1.00 20.00 N ATOM 849 CA ARG A 47 -53.392 -32.215 20.956 1.00 20.00 C ATOM 850 C ARG A 47 -54.056 -31.474 22.116 1.00 20.00 C ATOM 851 O ARG A 47 -54.645 -32.091 23.003 1.00 20.00 O ATOM 852 CB ARG A 47 -51.892 -32.389 21.224 1.00 20.00 C ATOM 853 CG ARG A 47 -51.546 -33.166 22.491 1.00 20.00 C ATOM 854 CD ARG A 47 -51.971 -34.627 22.411 1.00 20.00 C ATOM 855 NE ARG A 47 -53.335 -34.844 22.894 1.00 20.00 N ATOM 856 CZ ARG A 47 -54.165 -35.766 22.406 1.00 20.00 C ATOM 857 NH1 ARG A 47 -53.822 -36.490 21.349 1.00 20.00 N ATOM 858 NH2 ARG A 47 -55.346 -35.951 22.973 1.00 20.00 N ATOM 0 H ARG A 47 -52.708 -31.194 19.262 1.00 20.00 H new ATOM 0 HA ARG A 47 -53.860 -33.196 20.870 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -51.443 -32.897 20.371 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -51.433 -31.402 21.285 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -50.471 -33.112 22.665 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -52.031 -32.696 23.346 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -51.897 -34.967 21.378 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -51.281 -35.235 22.997 1.00 20.00 H new ATOM 0 HE ARG A 47 -53.672 -34.252 23.653 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -52.917 -36.344 20.903 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -54.464 -37.193 20.983 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -55.618 -35.389 23.780 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -55.985 -36.655 22.603 1.00 20.00 H new ATOM 872 N ARG A 48 -53.965 -30.150 22.096 1.00 20.00 N ATOM 873 CA ARG A 48 -54.537 -29.326 23.157 1.00 20.00 C ATOM 874 C ARG A 48 -56.051 -29.193 22.982 1.00 20.00 C ATOM 875 O ARG A 48 -56.790 -29.033 23.956 1.00 20.00 O ATOM 876 CB ARG A 48 -53.877 -27.940 23.164 1.00 20.00 C ATOM 877 CG ARG A 48 -54.356 -27.041 24.295 1.00 20.00 C ATOM 878 CD ARG A 48 -53.722 -25.659 24.237 1.00 20.00 C ATOM 879 NE ARG A 48 -52.274 -25.703 24.433 1.00 20.00 N ATOM 880 CZ ARG A 48 -51.505 -24.617 24.528 1.00 20.00 C ATOM 881 NH1 ARG A 48 -52.045 -23.409 24.446 1.00 20.00 N ATOM 882 NH2 ARG A 48 -50.198 -24.743 24.707 1.00 20.00 N ATOM 0 H ARG A 48 -53.501 -29.622 21.357 1.00 20.00 H new ATOM 0 HA ARG A 48 -54.345 -29.812 24.113 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -52.797 -28.062 23.241 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -54.075 -27.448 22.212 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -55.441 -26.944 24.245 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -54.121 -27.507 25.252 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -53.942 -25.201 23.273 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -54.170 -25.024 25.001 1.00 20.00 H new ATOM 0 HE ARG A 48 -51.826 -26.617 24.501 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -53.051 -23.308 24.310 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -51.455 -22.580 24.519 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -49.779 -25.671 24.772 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -49.611 -23.912 24.780 1.00 20.00 H new ATOM 896 N MET A 49 -56.506 -29.285 21.735 1.00 20.00 N ATOM 897 CA MET A 49 -57.929 -29.159 21.412 1.00 20.00 C ATOM 898 C MET A 49 -58.752 -30.268 22.060 1.00 20.00 C ATOM 899 O MET A 49 -59.947 -30.101 22.302 1.00 20.00 O ATOM 900 CB MET A 49 -58.141 -29.196 19.898 1.00 20.00 C ATOM 901 CG MET A 49 -57.587 -27.986 19.170 1.00 20.00 C ATOM 902 SD MET A 49 -58.435 -26.455 19.606 1.00 20.00 S ATOM 903 CE MET A 49 -57.590 -25.292 18.535 1.00 20.00 C ATOM 0 H MET A 49 -55.907 -29.447 20.925 1.00 20.00 H new ATOM 0 HA MET A 49 -58.265 -28.200 21.807 1.00 20.00 H new ATOM 0 HB2 MET A 49 -57.672 -30.095 19.497 1.00 20.00 H new ATOM 0 HB3 MET A 49 -59.209 -29.274 19.692 1.00 20.00 H new ATOM 0 HG2 MET A 49 -56.526 -27.885 19.398 1.00 20.00 H new ATOM 0 HG3 MET A 49 -57.668 -28.147 18.095 1.00 20.00 H new ATOM 0 HE1 MET A 49 -58.001 -24.294 18.686 1.00 20.00 H new ATOM 0 HE2 MET A 49 -56.526 -25.286 18.772 1.00 20.00 H new ATOM 0 HE3 MET A 49 -57.728 -25.588 17.495 1.00 20.00 H new ATOM 913 N ALA A 50 -58.099 -31.391 22.339 1.00 20.00 N ATOM 914 CA ALA A 50 -58.765 -32.558 22.907 1.00 20.00 C ATOM 915 C ALA A 50 -59.533 -32.211 24.177 1.00 20.00 C ATOM 916 O ALA A 50 -60.707 -32.563 24.318 1.00 20.00 O ATOM 917 CB ALA A 50 -57.749 -33.649 23.190 1.00 20.00 C ATOM 0 H ALA A 50 -57.100 -31.518 22.179 1.00 20.00 H new ATOM 0 HA ALA A 50 -59.488 -32.917 22.174 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -58.255 -34.516 23.614 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -57.254 -33.935 22.262 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -57.007 -33.280 23.898 1.00 20.00 H new ATOM 923 N GLU A 51 -58.875 -31.508 25.089 1.00 20.00 N ATOM 924 CA GLU A 51 -59.496 -31.123 26.350 1.00 20.00 C ATOM 925 C GLU A 51 -60.586 -30.089 26.120 1.00 20.00 C ATOM 926 O GLU A 51 -61.604 -30.080 26.814 1.00 20.00 O ATOM 927 CB GLU A 51 -58.463 -30.570 27.338 1.00 20.00 C ATOM 928 CG GLU A 51 -57.472 -31.604 27.851 1.00 20.00 C ATOM 929 CD GLU A 51 -56.395 -31.941 26.845 1.00 20.00 C ATOM 930 OE1 GLU A 51 -55.366 -31.235 26.821 1.00 20.00 O ATOM 931 OE2 GLU A 51 -56.565 -32.910 26.080 1.00 20.00 O ATOM 0 H GLU A 51 -57.911 -31.193 24.980 1.00 20.00 H new ATOM 0 HA GLU A 51 -59.939 -32.021 26.780 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -57.911 -29.763 26.855 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -58.988 -30.134 28.188 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -57.006 -31.231 28.763 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -58.010 -32.514 28.117 1.00 20.00 H new ATOM 938 N ARG A 52 -60.381 -29.229 25.131 1.00 20.00 N ATOM 939 CA ARG A 52 -61.344 -28.186 24.821 1.00 20.00 C ATOM 940 C ARG A 52 -62.662 -28.802 24.365 1.00 20.00 C ATOM 941 O ARG A 52 -63.734 -28.394 24.810 1.00 20.00 O ATOM 942 CB ARG A 52 -60.796 -27.239 23.746 1.00 20.00 C ATOM 943 CG ARG A 52 -61.689 -26.035 23.477 1.00 20.00 C ATOM 944 CD ARG A 52 -61.844 -25.175 24.721 1.00 20.00 C ATOM 945 NE ARG A 52 -62.708 -24.016 24.501 1.00 20.00 N ATOM 946 CZ ARG A 52 -62.968 -23.100 25.432 1.00 20.00 C ATOM 947 NH1 ARG A 52 -62.424 -23.201 26.640 1.00 20.00 N ATOM 948 NH2 ARG A 52 -63.771 -22.080 25.151 1.00 20.00 N ATOM 0 H ARG A 52 -59.556 -29.235 24.531 1.00 20.00 H new ATOM 0 HA ARG A 52 -61.523 -27.606 25.726 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -59.810 -26.888 24.052 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -60.662 -27.795 22.818 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -61.265 -25.438 22.670 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -62.669 -26.374 23.142 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -62.255 -25.781 25.528 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -60.861 -24.834 25.047 1.00 20.00 H new ATOM 0 HE ARG A 52 -63.136 -23.903 23.582 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -61.805 -23.982 26.857 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -62.625 -22.497 27.350 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -64.187 -21.999 24.223 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -63.971 -21.377 25.863 1.00 20.00 H new ATOM 962 N PHE A 53 -62.573 -29.802 23.497 1.00 20.00 N ATOM 963 CA PHE A 53 -63.756 -30.494 23.010 1.00 20.00 C ATOM 964 C PHE A 53 -64.366 -31.364 24.101 1.00 20.00 C ATOM 965 O PHE A 53 -65.582 -31.507 24.179 1.00 20.00 O ATOM 966 CB PHE A 53 -63.425 -31.342 21.783 1.00 20.00 C ATOM 967 CG PHE A 53 -63.188 -30.534 20.538 1.00 20.00 C ATOM 968 CD1 PHE A 53 -64.206 -29.767 19.990 1.00 20.00 C ATOM 969 CD2 PHE A 53 -61.950 -30.538 19.916 1.00 20.00 C ATOM 970 CE1 PHE A 53 -63.992 -29.023 18.846 1.00 20.00 C ATOM 971 CE2 PHE A 53 -61.732 -29.795 18.772 1.00 20.00 C ATOM 972 CZ PHE A 53 -62.754 -29.037 18.238 1.00 20.00 C ATOM 0 H PHE A 53 -61.693 -30.151 23.117 1.00 20.00 H new ATOM 0 HA PHE A 53 -64.487 -29.739 22.722 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -62.537 -31.939 21.993 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -64.243 -32.040 21.603 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -65.177 -29.751 20.463 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -61.146 -31.129 20.330 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -64.793 -28.431 18.428 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -60.763 -29.807 18.296 1.00 20.00 H new ATOM 0 HZ PHE A 53 -62.585 -28.455 17.344 1.00 20.00 H new ATOM 982 N ALA A 54 -63.516 -31.929 24.948 1.00 20.00 N ATOM 983 CA ALA A 54 -63.979 -32.767 26.046 1.00 20.00 C ATOM 984 C ALA A 54 -64.819 -31.958 27.028 1.00 20.00 C ATOM 985 O ALA A 54 -65.880 -32.401 27.467 1.00 20.00 O ATOM 986 CB ALA A 54 -62.797 -33.409 26.754 1.00 20.00 C ATOM 0 H ALA A 54 -62.503 -31.822 24.896 1.00 20.00 H new ATOM 0 HA ALA A 54 -64.608 -33.557 25.635 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -63.158 -34.032 27.572 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -62.240 -34.024 26.047 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -62.144 -32.631 27.151 1.00 20.00 H new ATOM 992 N LYS A 55 -64.348 -30.763 27.360 1.00 20.00 N ATOM 993 CA LYS A 55 -65.082 -29.882 28.258 1.00 20.00 C ATOM 994 C LYS A 55 -66.307 -29.297 27.562 1.00 20.00 C ATOM 995 O LYS A 55 -67.314 -29.012 28.204 1.00 20.00 O ATOM 996 CB LYS A 55 -64.182 -28.752 28.765 1.00 20.00 C ATOM 997 CG LYS A 55 -63.020 -29.202 29.649 1.00 20.00 C ATOM 998 CD LYS A 55 -63.401 -29.297 31.126 1.00 20.00 C ATOM 999 CE LYS A 55 -64.247 -30.524 31.448 1.00 20.00 C ATOM 1000 NZ LYS A 55 -63.532 -31.793 31.146 1.00 20.00 N ATOM 0 H LYS A 55 -63.464 -30.383 27.022 1.00 20.00 H new ATOM 0 HA LYS A 55 -65.414 -30.476 29.110 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -63.779 -28.215 27.906 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -64.793 -28.044 29.326 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -62.665 -30.174 29.307 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -62.192 -28.502 29.536 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -62.493 -29.321 31.728 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -63.950 -28.400 31.412 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -64.523 -30.506 32.502 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -65.173 -30.485 30.875 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -64.004 -32.582 31.633 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -63.544 -31.963 30.120 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -62.547 -31.723 31.474 1.00 20.00 H new ATOM 1014 N MET A 56 -66.211 -29.125 26.250 1.00 20.00 N ATOM 1015 CA MET A 56 -67.309 -28.567 25.465 1.00 20.00 C ATOM 1016 C MET A 56 -68.417 -29.600 25.279 1.00 20.00 C ATOM 1017 O MET A 56 -69.589 -29.251 25.130 1.00 20.00 O ATOM 1018 CB MET A 56 -66.793 -28.092 24.101 1.00 20.00 C ATOM 1019 CG MET A 56 -67.846 -27.417 23.233 1.00 20.00 C ATOM 1020 SD MET A 56 -67.224 -26.980 21.597 1.00 20.00 S ATOM 1021 CE MET A 56 -65.875 -25.879 22.021 1.00 20.00 C ATOM 0 H MET A 56 -65.383 -29.364 25.704 1.00 20.00 H new ATOM 0 HA MET A 56 -67.721 -27.714 26.004 1.00 20.00 H new ATOM 0 HB2 MET A 56 -65.969 -27.396 24.260 1.00 20.00 H new ATOM 0 HB3 MET A 56 -66.388 -28.948 23.561 1.00 20.00 H new ATOM 0 HG2 MET A 56 -68.703 -28.082 23.126 1.00 20.00 H new ATOM 0 HG3 MET A 56 -68.202 -26.517 23.734 1.00 20.00 H new ATOM 0 HE1 MET A 56 -65.590 -25.298 21.144 1.00 20.00 H new ATOM 0 HE2 MET A 56 -66.192 -25.204 22.816 1.00 20.00 H new ATOM 0 HE3 MET A 56 -65.021 -26.464 22.361 1.00 20.00 H new ATOM 1031 N ARG A 57 -68.030 -30.870 25.284 1.00 20.00 N ATOM 1032 CA ARG A 57 -68.975 -31.973 25.158 1.00 20.00 C ATOM 1033 C ARG A 57 -69.949 -31.973 26.330 1.00 20.00 C ATOM 1034 O ARG A 57 -71.152 -32.174 26.140 1.00 20.00 O ATOM 1035 CB ARG A 57 -68.222 -33.309 25.093 1.00 20.00 C ATOM 1036 CG ARG A 57 -69.126 -34.531 25.009 1.00 20.00 C ATOM 1037 CD ARG A 57 -70.045 -34.472 23.796 1.00 20.00 C ATOM 1038 NE ARG A 57 -69.303 -34.419 22.537 1.00 20.00 N ATOM 1039 CZ ARG A 57 -69.806 -33.945 21.397 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -71.020 -33.407 21.378 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -69.086 -33.989 20.283 1.00 20.00 N ATOM 0 H ARG A 57 -67.057 -31.163 25.375 1.00 20.00 H new ATOM 0 HA ARG A 57 -69.542 -31.844 24.236 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -67.562 -33.299 24.226 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -67.588 -33.400 25.975 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -68.515 -35.432 24.959 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -69.726 -34.603 25.916 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -70.696 -35.346 23.794 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -70.688 -33.595 23.873 1.00 20.00 H new ATOM 0 HE ARG A 57 -68.344 -34.765 22.531 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -71.569 -33.356 22.236 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -71.404 -33.045 20.505 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -68.147 -34.386 20.298 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -69.472 -33.626 19.412 1.00 20.00 H new ATOM 1055 N LYS A 58 -69.429 -31.737 27.531 1.00 20.00 N ATOM 1056 CA LYS A 58 -70.257 -31.665 28.733 1.00 20.00 C ATOM 1057 C LYS A 58 -71.120 -32.913 28.871 1.00 20.00 C ATOM 1058 O LYS A 58 -72.352 -32.833 28.924 1.00 20.00 O ATOM 1059 CB LYS A 58 -71.144 -30.418 28.700 1.00 20.00 C ATOM 1060 CG LYS A 58 -70.366 -29.112 28.712 1.00 20.00 C ATOM 1061 CD LYS A 58 -71.269 -27.912 28.464 1.00 20.00 C ATOM 1062 CE LYS A 58 -71.910 -27.971 27.085 1.00 20.00 C ATOM 1063 NZ LYS A 58 -72.719 -26.761 26.792 1.00 20.00 N ATOM 0 H LYS A 58 -68.433 -31.592 27.699 1.00 20.00 H new ATOM 0 HA LYS A 58 -69.594 -31.604 29.596 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -71.768 -30.451 27.807 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -71.815 -30.438 29.558 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -69.865 -28.997 29.673 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -69.589 -29.145 27.949 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -72.047 -27.877 29.227 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -70.689 -26.994 28.558 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -71.132 -28.078 26.329 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -72.544 -28.855 27.018 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -73.137 -26.844 25.843 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -73.478 -26.671 27.498 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -72.110 -25.919 26.830 1.00 20.00 H new ATOM 1077 N GLU A 59 -70.473 -34.066 28.929 1.00 20.00 N ATOM 1078 CA GLU A 59 -71.178 -35.333 29.072 1.00 20.00 C ATOM 1079 C GLU A 59 -71.523 -35.579 30.540 1.00 20.00 C ATOM 1080 O GLU A 59 -71.368 -36.682 31.069 1.00 20.00 O ATOM 1081 CB GLU A 59 -70.342 -36.481 28.500 1.00 20.00 C ATOM 1082 CG GLU A 59 -68.933 -36.565 29.062 1.00 20.00 C ATOM 1083 CD GLU A 59 -68.144 -37.705 28.456 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -68.324 -38.857 28.900 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -67.341 -37.456 27.531 1.00 20.00 O ATOM 0 H GLU A 59 -69.458 -34.152 28.879 1.00 20.00 H new ATOM 0 HA GLU A 59 -72.108 -35.285 28.506 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -70.856 -37.422 28.695 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -70.283 -36.369 27.417 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -68.413 -35.626 28.876 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -68.982 -36.693 30.143 1.00 20.00 H new ATOM 1092 N ARG A 60 -72.011 -34.528 31.180 1.00 20.00 N ATOM 1093 CA ARG A 60 -72.348 -34.560 32.591 1.00 20.00 C ATOM 1094 C ARG A 60 -73.822 -34.901 32.765 1.00 20.00 C ATOM 1095 O ARG A 60 -74.624 -34.054 33.158 1.00 20.00 O ATOM 1096 CB ARG A 60 -72.044 -33.203 33.229 1.00 20.00 C ATOM 1097 CG ARG A 60 -70.624 -32.717 32.983 1.00 20.00 C ATOM 1098 CD ARG A 60 -70.413 -31.304 33.505 1.00 20.00 C ATOM 1099 NE ARG A 60 -71.374 -30.361 32.935 1.00 20.00 N ATOM 1100 CZ ARG A 60 -71.080 -29.115 32.567 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -69.840 -28.651 32.685 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -72.030 -28.335 32.075 1.00 20.00 N ATOM 0 H ARG A 60 -72.184 -33.628 30.733 1.00 20.00 H new ATOM 0 HA ARG A 60 -71.748 -35.325 33.084 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -72.744 -32.464 32.840 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -72.215 -33.270 34.303 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -69.919 -33.393 33.468 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -70.410 -32.746 31.915 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -70.503 -31.301 34.591 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -69.400 -30.977 33.268 1.00 20.00 H new ATOM 0 HE ARG A 60 -72.335 -30.679 32.811 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -69.105 -29.250 33.060 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -69.624 -27.696 32.401 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -72.982 -28.689 31.979 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -71.810 -27.380 31.792 1.00 20.00 H new ATOM 1116 N SER A 61 -74.178 -36.137 32.452 1.00 20.00 N ATOM 1117 CA SER A 61 -75.554 -36.594 32.582 1.00 20.00 C ATOM 1118 C SER A 61 -75.938 -36.744 34.051 1.00 20.00 C ATOM 1119 O SER A 61 -77.118 -36.749 34.405 1.00 20.00 O ATOM 1120 CB SER A 61 -75.727 -37.914 31.832 1.00 20.00 C ATOM 1121 OG SER A 61 -74.582 -38.738 31.993 1.00 20.00 O ATOM 0 H SER A 61 -73.531 -36.845 32.105 1.00 20.00 H new ATOM 0 HA SER A 61 -76.220 -35.851 32.143 1.00 20.00 H new ATOM 0 HB2 SER A 61 -76.610 -38.435 32.202 1.00 20.00 H new ATOM 0 HB3 SER A 61 -75.893 -37.717 30.773 1.00 20.00 H new ATOM 0 HG SER A 61 -74.713 -39.579 31.507 1.00 20.00 H new ATOM 1127 N LYS A 62 -74.926 -36.840 34.903 1.00 20.00 N ATOM 1128 CA LYS A 62 -75.133 -36.951 36.339 1.00 20.00 C ATOM 1129 C LYS A 62 -75.065 -35.571 36.985 1.00 20.00 C ATOM 1130 O LYS A 62 -74.406 -35.373 38.008 1.00 20.00 O ATOM 1131 CB LYS A 62 -74.082 -37.880 36.955 1.00 20.00 C ATOM 1132 CG LYS A 62 -74.089 -39.282 36.367 1.00 20.00 C ATOM 1133 CD LYS A 62 -73.065 -40.175 37.048 1.00 20.00 C ATOM 1134 CE LYS A 62 -71.643 -39.680 36.825 1.00 20.00 C ATOM 1135 NZ LYS A 62 -70.647 -40.495 37.570 1.00 20.00 N ATOM 0 H LYS A 62 -73.946 -36.843 34.620 1.00 20.00 H new ATOM 0 HA LYS A 62 -76.120 -37.375 36.521 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -73.094 -37.441 36.814 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -74.252 -37.945 38.030 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -75.082 -39.718 36.474 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -73.877 -39.231 35.299 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -73.272 -40.215 38.117 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -73.159 -41.192 36.667 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -71.412 -39.709 35.760 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -71.568 -38.639 37.139 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -69.692 -40.125 37.391 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -70.852 -40.447 38.589 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -70.700 -41.484 37.252 1.00 20.00 H new ATOM 1149 N GLN A 63 -75.744 -34.618 36.368 1.00 20.00 N ATOM 1150 CA GLN A 63 -75.753 -33.250 36.855 1.00 20.00 C ATOM 1151 C GLN A 63 -76.874 -33.056 37.869 1.00 20.00 C ATOM 1152 O GLN A 63 -78.060 -33.149 37.488 1.00 20.00 O ATOM 1153 CB GLN A 63 -75.878 -32.259 35.690 1.00 20.00 C ATOM 1154 CG GLN A 63 -77.077 -32.501 34.784 1.00 20.00 C ATOM 1155 CD GLN A 63 -77.145 -31.519 33.633 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -76.122 -31.049 33.137 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -78.351 -31.205 33.193 1.00 20.00 N ATOM 1158 OXT GLN A 63 -76.565 -32.833 39.055 1.00 20.00 O ATOM 0 H GLN A 63 -76.298 -34.769 35.525 1.00 20.00 H new ATOM 0 HA GLN A 63 -74.806 -33.053 37.356 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -75.941 -31.249 36.094 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -74.969 -32.306 35.090 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -77.030 -33.516 34.389 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -77.992 -32.430 35.372 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -79.176 -31.615 33.630 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -78.457 -30.552 32.416 1.00 20.00 H new TER 1167 GLN A 63