USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 458 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 10 LYS NZ :NH3+ -111:sc= 0.291 (180deg=0) USER MOD Set 1.2: A 45 GLN :FLIP amide:sc= 0.0666 F(o=-3.5,f=0.36) USER MOD Single : A 1 CYS N :NH3+ -172:sc= -0.167 (180deg=-0.252) USER MOD Single : A 1 CYS SG : rot -31:sc= 0.329 USER MOD Single : A 2 SER OG : rot -17:sc= 0.761 USER MOD Single : A 3 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.152) USER MOD Single : A 4 ASN :FLIP amide:sc= -1.09! C(o=-2.7!,f=-1.1!) USER MOD Single : A 6 LYS NZ :NH3+ 135:sc= -0.445 (180deg=-1.96) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.406 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0558 USER MOD Single : A 25 GLN : amide:sc= -0.616 K(o=-0.62,f=-4!) USER MOD Single : A 26 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= -12.3! (180deg=-13.6!) USER MOD Single : A 35 ASN : amide:sc= -0.0849 X(o=-0.085,f=-0.2) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0476) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.406 F(o=-1.3!,f=-0.41) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 39.069 -12.715 1.289 1.00 1.00 N ATOM 2 CA CYS A 1 38.169 -12.016 0.329 1.00 1.00 C ATOM 3 C CYS A 1 37.592 -13.026 -0.660 1.00 1.00 C ATOM 4 O CYS A 1 36.660 -12.719 -1.403 1.00 1.00 O ATOM 5 CB CYS A 1 38.962 -10.943 -0.420 1.00 1.00 C ATOM 6 SG CYS A 1 37.835 -9.966 -1.446 1.00 1.00 S ATOM 0 H1 CYS A 1 39.354 -12.056 2.041 1.00 1.00 H new ATOM 0 H2 CYS A 1 38.568 -13.524 1.709 1.00 1.00 H new ATOM 0 H3 CYS A 1 39.915 -13.054 0.788 1.00 1.00 H new ATOM 0 HA CYS A 1 37.350 -11.544 0.871 1.00 1.00 H new ATOM 0 HB2 CYS A 1 39.479 -10.296 0.289 1.00 1.00 H new ATOM 0 HB3 CYS A 1 39.726 -11.408 -1.042 1.00 1.00 H new ATOM 0 HG CYS A 1 36.851 -10.716 -1.845 1.00 1.00 H new ATOM 14 N SER A 2 38.154 -14.231 -0.665 1.00 1.00 N ATOM 15 CA SER A 2 37.690 -15.283 -1.565 1.00 1.00 C ATOM 16 C SER A 2 38.095 -16.654 -1.021 1.00 1.00 C ATOM 17 O SER A 2 39.268 -16.885 -0.728 1.00 1.00 O ATOM 18 CB SER A 2 38.298 -15.078 -2.953 1.00 1.00 C ATOM 19 OG SER A 2 37.948 -13.785 -3.431 1.00 1.00 O ATOM 0 H SER A 2 38.928 -14.503 -0.059 1.00 1.00 H new ATOM 0 HA SER A 2 36.603 -15.237 -1.636 1.00 1.00 H new ATOM 0 HB2 SER A 2 39.382 -15.180 -2.907 1.00 1.00 H new ATOM 0 HB3 SER A 2 37.934 -15.843 -3.639 1.00 1.00 H new ATOM 0 HG SER A 2 37.197 -13.435 -2.907 1.00 1.00 H new ATOM 25 N LYS A 3 37.128 -17.563 -0.888 1.00 1.00 N ATOM 26 CA LYS A 3 37.415 -18.904 -0.377 1.00 1.00 C ATOM 27 C LYS A 3 38.423 -18.850 0.773 1.00 1.00 C ATOM 28 O LYS A 3 39.190 -19.791 0.975 1.00 1.00 O ATOM 29 CB LYS A 3 37.962 -19.789 -1.513 1.00 1.00 C ATOM 30 CG LYS A 3 37.734 -21.270 -1.191 1.00 1.00 C ATOM 31 CD LYS A 3 38.135 -22.121 -2.399 1.00 1.00 C ATOM 32 CE LYS A 3 37.814 -23.589 -2.114 1.00 1.00 C ATOM 33 NZ LYS A 3 38.758 -24.111 -1.086 1.00 1.00 N ATOM 0 H LYS A 3 36.150 -17.398 -1.124 1.00 1.00 H new ATOM 0 HA LYS A 3 36.487 -19.332 0.003 1.00 1.00 H new ATOM 0 HB2 LYS A 3 37.469 -19.534 -2.451 1.00 1.00 H new ATOM 0 HB3 LYS A 3 39.027 -19.599 -1.650 1.00 1.00 H new ATOM 0 HG2 LYS A 3 38.320 -21.558 -0.319 1.00 1.00 H new ATOM 0 HG3 LYS A 3 36.687 -21.442 -0.942 1.00 1.00 H new ATOM 0 HD2 LYS A 3 37.600 -21.786 -3.288 1.00 1.00 H new ATOM 0 HD3 LYS A 3 39.199 -22.003 -2.604 1.00 1.00 H new ATOM 0 HE2 LYS A 3 36.787 -23.687 -1.763 1.00 1.00 H new ATOM 0 HE3 LYS A 3 37.895 -24.175 -3.029 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 38.680 -25.147 -1.037 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 39.731 -23.849 -1.343 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 38.523 -23.702 -0.159 1.00 1.00 H new ATOM 47 N ASN A 4 38.412 -17.752 1.527 1.00 1.00 N ATOM 48 CA ASN A 4 39.338 -17.621 2.653 1.00 1.00 C ATOM 49 C ASN A 4 40.768 -17.876 2.193 1.00 1.00 C ATOM 50 O ASN A 4 41.451 -18.755 2.719 1.00 1.00 O ATOM 51 CB ASN A 4 38.968 -18.619 3.755 1.00 1.00 C ATOM 52 CG ASN A 4 39.975 -18.527 4.896 1.00 1.00 C ATOM 53 OD1 ASN A 4 40.710 -17.457 5.016 1.00 1.00 O flip ATOM 54 ND2 ASN A 4 40.099 -19.457 5.693 1.00 1.00 N flip ATOM 0 H ASN A 4 37.789 -16.957 1.385 1.00 1.00 H new ATOM 0 HA ASN A 4 39.266 -16.607 3.046 1.00 1.00 H new ATOM 0 HB2 ASN A 4 37.965 -18.410 4.126 1.00 1.00 H new ATOM 0 HB3 ASN A 4 38.954 -19.631 3.351 1.00 1.00 H new ATOM 0 HD21 ASN A 4 39.522 -20.292 5.596 1.00 1.00 H new ATOM 0 HD22 ASN A 4 40.779 -19.392 6.451 1.00 1.00 H new ATOM 61 N ARG A 5 41.213 -17.111 1.201 1.00 1.00 N ATOM 62 CA ARG A 5 42.562 -17.273 0.674 1.00 1.00 C ATOM 63 C ARG A 5 43.584 -17.211 1.803 1.00 1.00 C ATOM 64 O ARG A 5 44.715 -17.671 1.653 1.00 1.00 O ATOM 65 CB ARG A 5 42.863 -16.175 -0.347 1.00 1.00 C ATOM 66 CG ARG A 5 44.118 -16.549 -1.137 1.00 1.00 C ATOM 67 CD ARG A 5 44.406 -15.471 -2.177 1.00 1.00 C ATOM 68 NE ARG A 5 45.451 -15.918 -3.091 1.00 1.00 N ATOM 69 CZ ARG A 5 45.927 -15.107 -4.032 1.00 1.00 C ATOM 70 NH1 ARG A 5 45.465 -13.891 -4.137 1.00 1.00 N ATOM 71 NH2 ARG A 5 46.852 -15.526 -4.849 1.00 1.00 N ATOM 0 H ARG A 5 40.664 -16.379 0.750 1.00 1.00 H new ATOM 0 HA ARG A 5 42.627 -18.246 0.188 1.00 1.00 H new ATOM 0 HB2 ARG A 5 42.017 -16.050 -1.023 1.00 1.00 H new ATOM 0 HB3 ARG A 5 43.009 -15.221 0.160 1.00 1.00 H new ATOM 0 HG2 ARG A 5 44.967 -16.654 -0.462 1.00 1.00 H new ATOM 0 HG3 ARG A 5 43.979 -17.513 -1.626 1.00 1.00 H new ATOM 0 HD2 ARG A 5 43.498 -15.242 -2.735 1.00 1.00 H new ATOM 0 HD3 ARG A 5 44.716 -14.551 -1.681 1.00 1.00 H new ATOM 0 HE ARG A 5 45.822 -16.865 -3.008 1.00 1.00 H new ATOM 0 HH11 ARG A 5 44.740 -13.564 -3.498 1.00 1.00 H new ATOM 0 HH12 ARG A 5 45.829 -13.268 -4.858 1.00 1.00 H new ATOM 0 HH21 ARG A 5 47.212 -16.477 -4.767 1.00 1.00 H new ATOM 0 HH22 ARG A 5 47.216 -14.903 -5.570 1.00 1.00 H new ATOM 85 N LYS A 6 43.162 -16.647 2.934 1.00 1.00 N ATOM 86 CA LYS A 6 44.036 -16.535 4.110 1.00 1.00 C ATOM 87 C LYS A 6 45.091 -15.454 3.907 1.00 1.00 C ATOM 88 O LYS A 6 46.235 -15.742 3.560 1.00 1.00 O ATOM 89 CB LYS A 6 44.715 -17.884 4.375 1.00 1.00 C ATOM 90 CG LYS A 6 45.110 -18.020 5.859 1.00 1.00 C ATOM 91 CD LYS A 6 43.863 -18.261 6.738 1.00 1.00 C ATOM 92 CE LYS A 6 44.269 -19.014 8.011 1.00 1.00 C ATOM 93 NZ LYS A 6 45.487 -18.385 8.590 1.00 1.00 N ATOM 0 H LYS A 6 42.227 -16.261 3.065 1.00 1.00 H new ATOM 0 HA LYS A 6 43.426 -16.256 4.969 1.00 1.00 H new ATOM 0 HB2 LYS A 6 44.041 -18.695 4.098 1.00 1.00 H new ATOM 0 HB3 LYS A 6 45.602 -17.978 3.748 1.00 1.00 H new ATOM 0 HG2 LYS A 6 45.811 -18.846 5.979 1.00 1.00 H new ATOM 0 HG3 LYS A 6 45.623 -17.116 6.188 1.00 1.00 H new ATOM 0 HD2 LYS A 6 43.400 -17.309 6.998 1.00 1.00 H new ATOM 0 HD3 LYS A 6 43.121 -18.836 6.184 1.00 1.00 H new ATOM 0 HE2 LYS A 6 43.455 -18.991 8.736 1.00 1.00 H new ATOM 0 HE3 LYS A 6 44.462 -20.062 7.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 45.368 -18.279 9.618 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 46.313 -18.987 8.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 45.632 -17.449 8.160 1.00 1.00 H new ATOM 107 N ALA A 7 44.696 -14.213 4.133 1.00 1.00 N ATOM 108 CA ALA A 7 45.617 -13.095 3.976 1.00 1.00 C ATOM 109 C ALA A 7 46.203 -13.077 2.566 1.00 1.00 C ATOM 110 O ALA A 7 45.738 -12.320 1.713 1.00 1.00 O ATOM 111 CB ALA A 7 46.748 -13.207 5.007 1.00 1.00 C ATOM 0 H ALA A 7 43.753 -13.953 4.423 1.00 1.00 H new ATOM 0 HA ALA A 7 45.069 -12.166 4.137 1.00 1.00 H new ATOM 0 HB1 ALA A 7 47.435 -12.369 4.886 1.00 1.00 H new ATOM 0 HB2 ALA A 7 46.327 -13.189 6.012 1.00 1.00 H new ATOM 0 HB3 ALA A 7 47.287 -14.142 4.856 1.00 1.00 H new ATOM 117 N LYS A 8 47.217 -13.918 2.327 1.00 1.00 N ATOM 118 CA LYS A 8 47.865 -13.991 1.013 1.00 1.00 C ATOM 119 C LYS A 8 49.099 -14.875 1.081 1.00 1.00 C ATOM 120 O LYS A 8 49.632 -15.294 0.052 1.00 1.00 O ATOM 121 CB LYS A 8 48.309 -12.601 0.540 1.00 1.00 C ATOM 122 CG LYS A 8 49.071 -11.895 1.665 1.00 1.00 C ATOM 123 CD LYS A 8 49.531 -10.520 1.180 1.00 1.00 C ATOM 124 CE LYS A 8 50.324 -9.828 2.289 1.00 1.00 C ATOM 125 NZ LYS A 8 50.810 -8.510 1.797 1.00 1.00 N ATOM 0 H LYS A 8 47.605 -14.555 3.023 1.00 1.00 H new ATOM 0 HA LYS A 8 47.137 -14.404 0.315 1.00 1.00 H new ATOM 0 HB2 LYS A 8 48.943 -12.691 -0.342 1.00 1.00 H new ATOM 0 HB3 LYS A 8 47.441 -12.010 0.249 1.00 1.00 H new ATOM 0 HG2 LYS A 8 48.432 -11.789 2.542 1.00 1.00 H new ATOM 0 HG3 LYS A 8 49.931 -12.493 1.968 1.00 1.00 H new ATOM 0 HD2 LYS A 8 50.148 -10.625 0.288 1.00 1.00 H new ATOM 0 HD3 LYS A 8 48.669 -9.914 0.902 1.00 1.00 H new ATOM 0 HE2 LYS A 8 49.696 -9.691 3.170 1.00 1.00 H new ATOM 0 HE3 LYS A 8 51.167 -10.450 2.591 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 51.350 -8.036 2.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 51.422 -8.653 0.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 49.998 -7.918 1.529 1.00 1.00 H new ATOM 139 N ALA A 9 49.562 -15.133 2.299 1.00 1.00 N ATOM 140 CA ALA A 9 50.760 -15.954 2.509 1.00 1.00 C ATOM 141 C ALA A 9 52.023 -15.095 2.363 1.00 1.00 C ATOM 142 O ALA A 9 52.033 -14.104 1.630 1.00 1.00 O ATOM 143 CB ALA A 9 50.792 -17.122 1.504 1.00 1.00 C ATOM 0 H ALA A 9 49.131 -14.789 3.157 1.00 1.00 H new ATOM 0 HA ALA A 9 50.729 -16.364 3.519 1.00 1.00 H new ATOM 0 HB1 ALA A 9 51.686 -17.722 1.672 1.00 1.00 H new ATOM 0 HB2 ALA A 9 49.907 -17.744 1.640 1.00 1.00 H new ATOM 0 HB3 ALA A 9 50.805 -16.728 0.488 1.00 1.00 H new ATOM 149 N LYS A 10 53.083 -15.489 3.070 1.00 1.00 N ATOM 150 CA LYS A 10 54.364 -14.770 3.033 1.00 1.00 C ATOM 151 C LYS A 10 55.358 -15.460 2.084 1.00 1.00 C ATOM 152 O LYS A 10 56.131 -14.792 1.404 1.00 1.00 O ATOM 153 CB LYS A 10 54.977 -14.696 4.453 1.00 1.00 C ATOM 154 CG LYS A 10 53.880 -14.859 5.510 1.00 1.00 C ATOM 155 CD LYS A 10 54.390 -14.369 6.875 1.00 1.00 C ATOM 156 CE LYS A 10 54.551 -12.839 6.883 1.00 1.00 C ATOM 157 NZ LYS A 10 54.315 -12.337 8.265 1.00 1.00 N ATOM 0 H LYS A 10 53.082 -16.307 3.680 1.00 1.00 H new ATOM 0 HA LYS A 10 54.171 -13.762 2.665 1.00 1.00 H new ATOM 0 HB2 LYS A 10 55.728 -15.476 4.574 1.00 1.00 H new ATOM 0 HB3 LYS A 10 55.485 -13.741 4.589 1.00 1.00 H new ATOM 0 HG2 LYS A 10 52.995 -14.293 5.218 1.00 1.00 H new ATOM 0 HG3 LYS A 10 53.581 -15.905 5.578 1.00 1.00 H new ATOM 0 HD2 LYS A 10 53.693 -14.670 7.657 1.00 1.00 H new ATOM 0 HD3 LYS A 10 55.346 -14.841 7.101 1.00 1.00 H new ATOM 0 HE2 LYS A 10 55.551 -12.563 6.547 1.00 1.00 H new ATOM 0 HE3 LYS A 10 53.845 -12.382 6.190 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 53.427 -11.797 8.291 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 54.250 -13.142 8.920 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 55.103 -11.721 8.550 1.00 1.00 H new ATOM 171 N PRO A 11 55.360 -16.773 2.039 1.00 1.00 N ATOM 172 CA PRO A 11 56.290 -17.553 1.159 1.00 1.00 C ATOM 173 C PRO A 11 56.190 -17.160 -0.303 1.00 1.00 C ATOM 174 O PRO A 11 57.076 -17.485 -1.089 1.00 1.00 O ATOM 175 CB PRO A 11 55.870 -19.016 1.383 1.00 1.00 C ATOM 176 CG PRO A 11 55.185 -19.021 2.712 1.00 1.00 C ATOM 177 CD PRO A 11 54.492 -17.669 2.825 1.00 1.00 C ATOM 0 HA PRO A 11 57.334 -17.366 1.410 1.00 1.00 H new ATOM 0 HB2 PRO A 11 55.202 -19.361 0.593 1.00 1.00 H new ATOM 0 HB3 PRO A 11 56.735 -19.680 1.382 1.00 1.00 H new ATOM 0 HG2 PRO A 11 54.465 -19.837 2.778 1.00 1.00 H new ATOM 0 HG3 PRO A 11 55.902 -19.162 3.521 1.00 1.00 H new ATOM 0 HD2 PRO A 11 53.479 -17.702 2.423 1.00 1.00 H new ATOM 0 HD3 PRO A 11 54.413 -17.344 3.862 1.00 1.00 H new ATOM 185 N VAL A 12 55.111 -16.468 -0.639 1.00 1.00 N ATOM 186 CA VAL A 12 54.859 -16.018 -2.018 1.00 1.00 C ATOM 187 C VAL A 12 54.646 -17.213 -2.928 1.00 1.00 C ATOM 188 O VAL A 12 53.694 -17.261 -3.705 1.00 1.00 O ATOM 189 CB VAL A 12 56.018 -15.154 -2.534 1.00 1.00 C ATOM 190 CG1 VAL A 12 55.862 -14.923 -4.038 1.00 1.00 C ATOM 191 CG2 VAL A 12 56.003 -13.804 -1.809 1.00 1.00 C ATOM 0 H VAL A 12 54.385 -16.199 0.025 1.00 1.00 H new ATOM 0 HA VAL A 12 53.956 -15.408 -2.019 1.00 1.00 H new ATOM 0 HB VAL A 12 56.962 -15.665 -2.345 1.00 1.00 H new ATOM 0 HG11 VAL A 12 56.687 -14.309 -4.399 1.00 1.00 H new ATOM 0 HG12 VAL A 12 55.869 -15.882 -4.556 1.00 1.00 H new ATOM 0 HG13 VAL A 12 54.918 -14.413 -4.232 1.00 1.00 H new ATOM 0 HG21 VAL A 12 56.825 -13.187 -2.172 1.00 1.00 H new ATOM 0 HG22 VAL A 12 55.057 -13.298 -2.001 1.00 1.00 H new ATOM 0 HG23 VAL A 12 56.117 -13.965 -0.737 1.00 1.00 H new ATOM 201 N THR A 13 55.528 -18.173 -2.802 1.00 1.00 N ATOM 202 CA THR A 13 55.443 -19.387 -3.587 1.00 1.00 C ATOM 203 C THR A 13 54.253 -20.205 -3.118 1.00 1.00 C ATOM 204 O THR A 13 53.647 -20.943 -3.896 1.00 1.00 O ATOM 205 CB THR A 13 56.723 -20.212 -3.437 1.00 1.00 C ATOM 206 OG1 THR A 13 57.820 -19.470 -3.950 1.00 1.00 O ATOM 207 CG2 THR A 13 56.581 -21.523 -4.211 1.00 1.00 C ATOM 0 H THR A 13 56.320 -18.140 -2.160 1.00 1.00 H new ATOM 0 HA THR A 13 55.320 -19.122 -4.637 1.00 1.00 H new ATOM 0 HB THR A 13 56.894 -20.435 -2.384 1.00 1.00 H new ATOM 0 HG1 THR A 13 58.643 -19.994 -3.854 1.00 1.00 H new ATOM 0 HG21 THR A 13 57.493 -22.110 -4.103 1.00 1.00 H new ATOM 0 HG22 THR A 13 55.737 -22.089 -3.817 1.00 1.00 H new ATOM 0 HG23 THR A 13 56.411 -21.306 -5.266 1.00 1.00 H new ATOM 215 N ARG A 14 53.920 -20.074 -1.828 1.00 1.00 N ATOM 216 CA ARG A 14 52.780 -20.833 -1.293 1.00 1.00 C ATOM 217 C ARG A 14 51.450 -20.193 -1.724 1.00 1.00 C ATOM 218 O ARG A 14 50.413 -20.857 -1.710 1.00 1.00 O ATOM 219 CB ARG A 14 52.849 -20.953 0.243 1.00 1.00 C ATOM 220 CG ARG A 14 51.933 -22.088 0.733 1.00 1.00 C ATOM 221 CD ARG A 14 52.482 -23.464 0.309 1.00 1.00 C ATOM 222 NE ARG A 14 52.132 -24.464 1.316 1.00 1.00 N ATOM 223 CZ ARG A 14 52.726 -24.472 2.508 1.00 1.00 C ATOM 224 NH1 ARG A 14 53.631 -23.575 2.789 1.00 1.00 N ATOM 225 NH2 ARG A 14 52.402 -25.374 3.396 1.00 1.00 N ATOM 0 H ARG A 14 54.401 -19.475 -1.157 1.00 1.00 H new ATOM 0 HA ARG A 14 52.833 -21.840 -1.707 1.00 1.00 H new ATOM 0 HB2 ARG A 14 53.876 -21.146 0.553 1.00 1.00 H new ATOM 0 HB3 ARG A 14 52.549 -20.011 0.702 1.00 1.00 H new ATOM 0 HG2 ARG A 14 51.846 -22.046 1.819 1.00 1.00 H new ATOM 0 HG3 ARG A 14 50.931 -21.952 0.327 1.00 1.00 H new ATOM 0 HD2 ARG A 14 52.070 -23.749 -0.659 1.00 1.00 H new ATOM 0 HD3 ARG A 14 53.565 -23.414 0.192 1.00 1.00 H new ATOM 0 HE ARG A 14 51.423 -25.166 1.103 1.00 1.00 H new ATOM 0 HH11 ARG A 14 53.882 -22.870 2.096 1.00 1.00 H new ATOM 0 HH12 ARG A 14 54.087 -23.579 3.701 1.00 1.00 H new ATOM 0 HH21 ARG A 14 51.693 -26.074 3.177 1.00 1.00 H new ATOM 0 HH22 ARG A 14 52.858 -25.378 4.308 1.00 1.00 H new ATOM 239 N GLY A 15 51.478 -18.904 -2.117 1.00 1.00 N ATOM 240 CA GLY A 15 50.255 -18.209 -2.558 1.00 1.00 C ATOM 241 C GLY A 15 50.176 -18.109 -4.087 1.00 1.00 C ATOM 242 O GLY A 15 49.391 -17.328 -4.626 1.00 1.00 O ATOM 0 H GLY A 15 52.322 -18.331 -2.138 1.00 1.00 H new ATOM 0 HA2 GLY A 15 49.380 -18.740 -2.183 1.00 1.00 H new ATOM 0 HA3 GLY A 15 50.230 -17.208 -2.127 1.00 1.00 H new ATOM 246 N THR A 16 50.988 -18.900 -4.784 1.00 1.00 N ATOM 247 CA THR A 16 50.992 -18.893 -6.242 1.00 1.00 C ATOM 248 C THR A 16 49.804 -19.685 -6.776 1.00 1.00 C ATOM 249 O THR A 16 49.960 -20.514 -7.673 1.00 1.00 O ATOM 250 CB THR A 16 52.300 -19.509 -6.762 1.00 1.00 C ATOM 251 OG1 THR A 16 53.385 -19.039 -5.977 1.00 1.00 O ATOM 252 CG2 THR A 16 52.527 -19.115 -8.227 1.00 1.00 C ATOM 0 H THR A 16 51.650 -19.552 -4.363 1.00 1.00 H new ATOM 0 HA THR A 16 50.915 -17.862 -6.589 1.00 1.00 H new ATOM 0 HB THR A 16 52.233 -20.595 -6.692 1.00 1.00 H new ATOM 0 HG1 THR A 16 54.222 -19.157 -6.472 1.00 1.00 H new ATOM 0 HG21 THR A 16 53.457 -19.558 -8.583 1.00 1.00 H new ATOM 0 HG22 THR A 16 51.697 -19.477 -8.834 1.00 1.00 H new ATOM 0 HG23 THR A 16 52.588 -18.030 -8.307 1.00 1.00 H new ATOM 260 N GLY A 17 48.615 -19.427 -6.219 1.00 1.00 N ATOM 261 CA GLY A 17 47.400 -20.131 -6.658 1.00 1.00 C ATOM 262 C GLY A 17 47.433 -20.346 -8.167 1.00 1.00 C ATOM 263 O GLY A 17 47.603 -21.471 -8.637 1.00 1.00 O ATOM 0 H GLY A 17 48.466 -18.746 -5.474 1.00 1.00 H new ATOM 0 HA2 GLY A 17 47.323 -21.091 -6.148 1.00 1.00 H new ATOM 0 HA3 GLY A 17 46.517 -19.553 -6.385 1.00 1.00 H new ATOM 267 N ALA A 18 47.285 -19.253 -8.911 1.00 1.00 N ATOM 268 CA ALA A 18 47.318 -19.309 -10.375 1.00 1.00 C ATOM 269 C ALA A 18 46.070 -20.027 -10.908 1.00 1.00 C ATOM 270 O ALA A 18 45.664 -21.046 -10.347 1.00 1.00 O ATOM 271 CB ALA A 18 48.575 -20.055 -10.843 1.00 1.00 C ATOM 0 H ALA A 18 47.141 -18.319 -8.528 1.00 1.00 H new ATOM 0 HA ALA A 18 47.336 -18.290 -10.761 1.00 1.00 H new ATOM 0 HB1 ALA A 18 48.592 -20.092 -11.932 1.00 1.00 H new ATOM 0 HB2 ALA A 18 49.462 -19.534 -10.484 1.00 1.00 H new ATOM 0 HB3 ALA A 18 48.565 -21.070 -10.446 1.00 1.00 H new ATOM 277 N GLY A 19 45.456 -19.519 -11.983 1.00 1.00 N ATOM 278 CA GLY A 19 44.266 -20.181 -12.526 1.00 1.00 C ATOM 279 C GLY A 19 43.055 -19.965 -11.614 1.00 1.00 C ATOM 280 O GLY A 19 41.979 -20.510 -11.860 1.00 1.00 O ATOM 0 H GLY A 19 45.751 -18.679 -12.480 1.00 1.00 H new ATOM 0 HA2 GLY A 19 44.051 -19.792 -13.521 1.00 1.00 H new ATOM 0 HA3 GLY A 19 44.457 -21.248 -12.636 1.00 1.00 H new ATOM 284 N SER A 20 43.244 -19.182 -10.550 1.00 1.00 N ATOM 285 CA SER A 20 42.166 -18.908 -9.591 1.00 1.00 C ATOM 286 C SER A 20 41.411 -17.633 -9.958 1.00 1.00 C ATOM 287 O SER A 20 40.486 -17.229 -9.254 1.00 1.00 O ATOM 288 CB SER A 20 42.753 -18.759 -8.186 1.00 1.00 C ATOM 289 OG SER A 20 43.954 -18.006 -8.258 1.00 1.00 O ATOM 0 H SER A 20 44.130 -18.727 -10.329 1.00 1.00 H new ATOM 0 HA SER A 20 41.467 -19.744 -9.619 1.00 1.00 H new ATOM 0 HB2 SER A 20 42.037 -18.262 -7.531 1.00 1.00 H new ATOM 0 HB3 SER A 20 42.951 -19.741 -7.756 1.00 1.00 H new ATOM 0 HG SER A 20 44.332 -17.907 -7.359 1.00 1.00 H new ATOM 295 N ARG A 21 41.827 -17.000 -11.044 1.00 1.00 N ATOM 296 CA ARG A 21 41.208 -15.756 -11.500 1.00 1.00 C ATOM 297 C ARG A 21 39.685 -15.780 -11.256 1.00 1.00 C ATOM 298 O ARG A 21 39.075 -16.848 -11.263 1.00 1.00 O ATOM 299 CB ARG A 21 41.490 -15.556 -13.000 1.00 1.00 C ATOM 300 CG ARG A 21 42.917 -15.018 -13.198 1.00 1.00 C ATOM 301 CD ARG A 21 43.375 -15.278 -14.636 1.00 1.00 C ATOM 302 NE ARG A 21 43.332 -16.708 -14.921 1.00 1.00 N ATOM 303 CZ ARG A 21 43.243 -17.161 -16.166 1.00 1.00 C ATOM 304 NH1 ARG A 21 43.191 -16.320 -17.163 1.00 1.00 N ATOM 305 NH2 ARG A 21 43.205 -18.444 -16.391 1.00 1.00 N ATOM 0 H ARG A 21 42.594 -17.326 -11.631 1.00 1.00 H new ATOM 0 HA ARG A 21 41.636 -14.929 -10.933 1.00 1.00 H new ATOM 0 HB2 ARG A 21 41.372 -16.501 -13.530 1.00 1.00 H new ATOM 0 HB3 ARG A 21 40.767 -14.859 -13.425 1.00 1.00 H new ATOM 0 HG2 ARG A 21 42.945 -13.949 -12.985 1.00 1.00 H new ATOM 0 HG3 ARG A 21 43.598 -15.501 -12.497 1.00 1.00 H new ATOM 0 HD2 ARG A 21 42.733 -14.740 -15.334 1.00 1.00 H new ATOM 0 HD3 ARG A 21 44.388 -14.901 -14.778 1.00 1.00 H new ATOM 0 HE ARG A 21 43.371 -17.373 -14.149 1.00 1.00 H new ATOM 0 HH11 ARG A 21 43.219 -15.316 -16.985 1.00 1.00 H new ATOM 0 HH12 ARG A 21 43.123 -16.667 -18.120 1.00 1.00 H new ATOM 0 HH21 ARG A 21 43.244 -19.100 -15.611 1.00 1.00 H new ATOM 0 HH22 ARG A 21 43.137 -18.792 -17.347 1.00 1.00 H new ATOM 319 N PRO A 22 39.066 -14.636 -11.043 1.00 1.00 N ATOM 320 CA PRO A 22 37.596 -14.554 -10.796 1.00 1.00 C ATOM 321 C PRO A 22 36.793 -15.527 -11.659 1.00 1.00 C ATOM 322 O PRO A 22 35.707 -15.956 -11.272 1.00 1.00 O ATOM 323 CB PRO A 22 37.257 -13.097 -11.142 1.00 1.00 C ATOM 324 CG PRO A 22 38.517 -12.318 -10.884 1.00 1.00 C ATOM 325 CD PRO A 22 39.697 -13.301 -11.005 1.00 1.00 C ATOM 0 HA PRO A 22 37.341 -14.830 -9.773 1.00 1.00 H new ATOM 0 HB2 PRO A 22 36.944 -13.003 -12.182 1.00 1.00 H new ATOM 0 HB3 PRO A 22 36.435 -12.729 -10.527 1.00 1.00 H new ATOM 0 HG2 PRO A 22 38.620 -11.504 -11.602 1.00 1.00 H new ATOM 0 HG3 PRO A 22 38.493 -11.867 -9.892 1.00 1.00 H new ATOM 0 HD2 PRO A 22 40.280 -13.112 -11.907 1.00 1.00 H new ATOM 0 HD3 PRO A 22 40.379 -13.208 -10.160 1.00 1.00 H new ATOM 333 N ARG A 23 37.342 -15.852 -12.828 1.00 1.00 N ATOM 334 CA ARG A 23 36.694 -16.775 -13.786 1.00 1.00 C ATOM 335 C ARG A 23 35.800 -17.776 -13.063 1.00 1.00 C ATOM 336 O ARG A 23 36.276 -18.638 -12.327 1.00 1.00 O ATOM 337 CB ARG A 23 37.744 -17.560 -14.599 1.00 1.00 C ATOM 338 CG ARG A 23 37.056 -18.402 -15.711 1.00 1.00 C ATOM 339 CD ARG A 23 37.521 -19.864 -15.641 1.00 1.00 C ATOM 340 NE ARG A 23 36.993 -20.495 -14.438 1.00 1.00 N ATOM 341 CZ ARG A 23 37.346 -21.728 -14.099 1.00 1.00 C ATOM 342 NH1 ARG A 23 38.182 -22.395 -14.846 1.00 1.00 N ATOM 343 NH2 ARG A 23 36.856 -22.272 -13.019 1.00 1.00 N ATOM 0 H ARG A 23 38.242 -15.491 -13.146 1.00 1.00 H new ATOM 0 HA ARG A 23 36.093 -16.163 -14.458 1.00 1.00 H new ATOM 0 HB2 ARG A 23 38.457 -16.868 -15.048 1.00 1.00 H new ATOM 0 HB3 ARG A 23 38.310 -18.215 -13.937 1.00 1.00 H new ATOM 0 HG2 ARG A 23 35.973 -18.352 -15.596 1.00 1.00 H new ATOM 0 HG3 ARG A 23 37.292 -17.985 -16.690 1.00 1.00 H new ATOM 0 HD2 ARG A 23 37.183 -20.405 -16.525 1.00 1.00 H new ATOM 0 HD3 ARG A 23 38.610 -19.909 -15.638 1.00 1.00 H new ATOM 0 HE ARG A 23 36.341 -19.980 -13.847 1.00 1.00 H new ATOM 0 HH11 ARG A 23 38.564 -21.968 -15.690 1.00 1.00 H new ATOM 0 HH12 ARG A 23 38.454 -23.343 -14.586 1.00 1.00 H new ATOM 0 HH21 ARG A 23 36.202 -21.749 -12.436 1.00 1.00 H new ATOM 0 HH22 ARG A 23 37.127 -23.220 -12.758 1.00 1.00 H new ATOM 357 N GLY A 24 34.495 -17.643 -13.269 1.00 1.00 N ATOM 358 CA GLY A 24 33.518 -18.512 -12.638 1.00 1.00 C ATOM 359 C GLY A 24 32.495 -17.669 -11.897 1.00 1.00 C ATOM 360 O GLY A 24 32.057 -16.625 -12.384 1.00 1.00 O ATOM 0 H GLY A 24 34.089 -16.931 -13.876 1.00 1.00 H new ATOM 0 HA2 GLY A 24 33.023 -19.127 -13.390 1.00 1.00 H new ATOM 0 HA3 GLY A 24 34.014 -19.193 -11.946 1.00 1.00 H new ATOM 364 N GLN A 25 32.135 -18.131 -10.715 1.00 1.00 N ATOM 365 CA GLN A 25 31.160 -17.430 -9.866 1.00 1.00 C ATOM 366 C GLN A 25 30.068 -16.797 -10.716 1.00 1.00 C ATOM 367 O GLN A 25 30.018 -15.578 -10.880 1.00 1.00 O ATOM 368 CB GLN A 25 31.862 -16.339 -9.050 1.00 1.00 C ATOM 369 CG GLN A 25 30.931 -15.834 -7.933 1.00 1.00 C ATOM 370 CD GLN A 25 30.986 -16.766 -6.721 1.00 1.00 C ATOM 371 OE1 GLN A 25 31.077 -17.983 -6.872 1.00 1.00 O ATOM 372 NE2 GLN A 25 30.935 -16.257 -5.518 1.00 1.00 N ATOM 0 H GLN A 25 32.499 -18.993 -10.309 1.00 1.00 H new ATOM 0 HA GLN A 25 30.709 -18.158 -9.191 1.00 1.00 H new ATOM 0 HB2 GLN A 25 32.782 -16.732 -8.618 1.00 1.00 H new ATOM 0 HB3 GLN A 25 32.144 -15.512 -9.701 1.00 1.00 H new ATOM 0 HG2 GLN A 25 31.223 -14.827 -7.637 1.00 1.00 H new ATOM 0 HG3 GLN A 25 29.908 -15.773 -8.305 1.00 1.00 H new ATOM 0 HE21 GLN A 25 30.860 -15.247 -5.394 1.00 1.00 H new ATOM 0 HE22 GLN A 25 30.971 -16.869 -4.703 1.00 1.00 H new ATOM 381 N ASN A 26 29.197 -17.640 -11.259 1.00 1.00 N ATOM 382 CA ASN A 26 28.104 -17.159 -12.104 1.00 1.00 C ATOM 383 C ASN A 26 26.853 -18.030 -11.944 1.00 1.00 C ATOM 384 O ASN A 26 26.251 -18.448 -12.932 1.00 1.00 O ATOM 385 CB ASN A 26 28.540 -17.164 -13.568 1.00 1.00 C ATOM 386 CG ASN A 26 27.507 -16.431 -14.413 1.00 1.00 C ATOM 387 OD1 ASN A 26 26.888 -17.027 -15.294 1.00 1.00 O ATOM 388 ND2 ASN A 26 27.278 -15.165 -14.192 1.00 1.00 N ATOM 0 H ASN A 26 29.223 -18.652 -11.132 1.00 1.00 H new ATOM 0 HA ASN A 26 27.860 -16.143 -11.792 1.00 1.00 H new ATOM 0 HB2 ASN A 26 29.514 -16.684 -13.669 1.00 1.00 H new ATOM 0 HB3 ASN A 26 28.652 -18.189 -13.921 1.00 1.00 H new ATOM 0 HD21 ASN A 26 26.584 -14.667 -14.750 1.00 1.00 H new ATOM 0 HD22 ASN A 26 27.793 -14.674 -13.461 1.00 1.00 H new ATOM 395 N LYS A 27 26.467 -18.302 -10.694 1.00 1.00 N ATOM 396 CA LYS A 27 25.289 -19.125 -10.408 1.00 1.00 C ATOM 397 C LYS A 27 24.080 -18.255 -10.054 1.00 1.00 C ATOM 398 O LYS A 27 22.933 -18.655 -10.257 1.00 1.00 O ATOM 399 CB LYS A 27 25.603 -20.098 -9.257 1.00 1.00 C ATOM 400 CG LYS A 27 25.941 -19.343 -7.945 1.00 1.00 C ATOM 401 CD LYS A 27 27.415 -18.813 -7.951 1.00 1.00 C ATOM 402 CE LYS A 27 27.489 -17.275 -7.723 1.00 1.00 C ATOM 403 NZ LYS A 27 27.742 -16.584 -9.023 1.00 1.00 N ATOM 0 H LYS A 27 26.954 -17.964 -9.864 1.00 1.00 H new ATOM 0 HA LYS A 27 25.040 -19.694 -11.304 1.00 1.00 H new ATOM 0 HB2 LYS A 27 24.748 -20.753 -9.090 1.00 1.00 H new ATOM 0 HB3 LYS A 27 26.442 -20.735 -9.537 1.00 1.00 H new ATOM 0 HG2 LYS A 27 25.253 -18.507 -7.818 1.00 1.00 H new ATOM 0 HG3 LYS A 27 25.796 -20.008 -7.094 1.00 1.00 H new ATOM 0 HD2 LYS A 27 27.985 -19.321 -7.173 1.00 1.00 H new ATOM 0 HD3 LYS A 27 27.884 -19.060 -8.903 1.00 1.00 H new ATOM 0 HE2 LYS A 27 26.557 -16.917 -7.286 1.00 1.00 H new ATOM 0 HE3 LYS A 27 28.284 -17.041 -7.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 28.361 -15.763 -8.865 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 28.203 -17.243 -9.683 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 26.839 -16.264 -9.428 1.00 1.00 H new ATOM 417 N GLU A 28 24.355 -17.072 -9.520 1.00 1.00 N ATOM 418 CA GLU A 28 23.293 -16.149 -9.127 1.00 1.00 C ATOM 419 C GLU A 28 22.315 -16.849 -8.198 1.00 1.00 C ATOM 420 O GLU A 28 21.395 -17.533 -8.648 1.00 1.00 O ATOM 421 CB GLU A 28 22.554 -15.628 -10.365 1.00 1.00 C ATOM 422 CG GLU A 28 23.563 -15.361 -11.480 1.00 1.00 C ATOM 423 CD GLU A 28 24.664 -14.431 -10.977 1.00 1.00 C ATOM 424 OE1 GLU A 28 24.365 -13.575 -10.162 1.00 1.00 O ATOM 425 OE2 GLU A 28 25.793 -14.593 -11.412 1.00 1.00 O ATOM 0 H GLU A 28 25.300 -16.728 -9.349 1.00 1.00 H new ATOM 0 HA GLU A 28 23.741 -15.304 -8.604 1.00 1.00 H new ATOM 0 HB2 GLU A 28 21.815 -16.358 -10.695 1.00 1.00 H new ATOM 0 HB3 GLU A 28 22.013 -14.714 -10.122 1.00 1.00 H new ATOM 0 HG2 GLU A 28 23.997 -16.301 -11.821 1.00 1.00 H new ATOM 0 HG3 GLU A 28 23.060 -14.913 -12.337 1.00 1.00 H new ATOM 432 N ARG A 29 22.526 -16.682 -6.897 1.00 1.00 N ATOM 433 CA ARG A 29 21.663 -17.307 -5.902 1.00 1.00 C ATOM 434 C ARG A 29 22.193 -17.051 -4.486 1.00 1.00 C ATOM 435 O ARG A 29 21.433 -16.671 -3.600 1.00 1.00 O ATOM 436 CB ARG A 29 21.561 -18.838 -6.161 1.00 1.00 C ATOM 437 CG ARG A 29 20.097 -19.263 -6.393 1.00 1.00 C ATOM 438 CD ARG A 29 19.255 -18.992 -5.132 1.00 1.00 C ATOM 439 NE ARG A 29 18.224 -20.014 -5.001 1.00 1.00 N ATOM 440 CZ ARG A 29 18.513 -21.224 -4.535 1.00 1.00 C ATOM 441 NH1 ARG A 29 19.737 -21.513 -4.186 1.00 1.00 N ATOM 442 NH2 ARG A 29 17.574 -22.125 -4.429 1.00 1.00 N ATOM 0 H ARG A 29 23.284 -16.121 -6.508 1.00 1.00 H new ATOM 0 HA ARG A 29 20.670 -16.865 -5.987 1.00 1.00 H new ATOM 0 HB2 ARG A 29 22.163 -19.104 -7.030 1.00 1.00 H new ATOM 0 HB3 ARG A 29 21.971 -19.382 -5.310 1.00 1.00 H new ATOM 0 HG2 ARG A 29 19.682 -18.716 -7.240 1.00 1.00 H new ATOM 0 HG3 ARG A 29 20.055 -20.322 -6.646 1.00 1.00 H new ATOM 0 HD2 ARG A 29 19.894 -18.991 -4.249 1.00 1.00 H new ATOM 0 HD3 ARG A 29 18.797 -18.005 -5.194 1.00 1.00 H new ATOM 0 HE ARG A 29 17.265 -19.797 -5.272 1.00 1.00 H new ATOM 0 HH11 ARG A 29 20.471 -20.810 -4.271 1.00 1.00 H new ATOM 0 HH12 ARG A 29 19.959 -22.442 -3.828 1.00 1.00 H new ATOM 0 HH21 ARG A 29 16.618 -21.900 -4.704 1.00 1.00 H new ATOM 0 HH22 ARG A 29 17.797 -23.054 -4.071 1.00 1.00 H new ATOM 456 N PRO A 30 23.464 -17.273 -4.253 1.00 1.00 N ATOM 457 CA PRO A 30 24.054 -17.082 -2.905 1.00 1.00 C ATOM 458 C PRO A 30 24.390 -15.608 -2.622 1.00 1.00 C ATOM 459 O PRO A 30 24.741 -14.868 -3.538 1.00 1.00 O ATOM 460 CB PRO A 30 25.315 -17.961 -2.939 1.00 1.00 C ATOM 461 CG PRO A 30 25.721 -18.032 -4.388 1.00 1.00 C ATOM 462 CD PRO A 30 24.471 -17.723 -5.235 1.00 1.00 C ATOM 0 HA PRO A 30 23.367 -17.358 -2.105 1.00 1.00 H new ATOM 0 HB2 PRO A 30 26.110 -17.530 -2.330 1.00 1.00 H new ATOM 0 HB3 PRO A 30 25.111 -18.955 -2.540 1.00 1.00 H new ATOM 0 HG2 PRO A 30 26.514 -17.315 -4.599 1.00 1.00 H new ATOM 0 HG3 PRO A 30 26.112 -19.020 -4.629 1.00 1.00 H new ATOM 0 HD2 PRO A 30 24.675 -16.951 -5.977 1.00 1.00 H new ATOM 0 HD3 PRO A 30 24.131 -18.605 -5.777 1.00 1.00 H new ATOM 470 N PRO A 31 24.285 -15.171 -1.382 1.00 1.00 N ATOM 471 CA PRO A 31 24.591 -13.756 -1.013 1.00 1.00 C ATOM 472 C PRO A 31 26.102 -13.461 -1.066 1.00 1.00 C ATOM 473 O PRO A 31 26.861 -14.048 -0.295 1.00 1.00 O ATOM 474 CB PRO A 31 24.062 -13.634 0.429 1.00 1.00 C ATOM 475 CG PRO A 31 24.094 -15.024 0.981 1.00 1.00 C ATOM 476 CD PRO A 31 23.865 -15.965 -0.204 1.00 1.00 C ATOM 0 HA PRO A 31 24.136 -13.044 -1.702 1.00 1.00 H new ATOM 0 HB2 PRO A 31 24.684 -12.962 1.020 1.00 1.00 H new ATOM 0 HB3 PRO A 31 23.050 -13.228 0.444 1.00 1.00 H new ATOM 0 HG2 PRO A 31 25.051 -15.229 1.461 1.00 1.00 H new ATOM 0 HG3 PRO A 31 23.322 -15.159 1.739 1.00 1.00 H new ATOM 0 HD2 PRO A 31 24.453 -16.878 -0.108 1.00 1.00 H new ATOM 0 HD3 PRO A 31 22.820 -16.266 -0.278 1.00 1.00 H new ATOM 484 N PRO A 32 26.561 -12.577 -1.941 1.00 1.00 N ATOM 485 CA PRO A 32 28.014 -12.233 -2.032 1.00 1.00 C ATOM 486 C PRO A 32 28.622 -11.900 -0.666 1.00 1.00 C ATOM 487 O PRO A 32 28.022 -12.149 0.377 1.00 1.00 O ATOM 488 CB PRO A 32 28.049 -10.998 -2.950 1.00 1.00 C ATOM 489 CG PRO A 32 26.820 -11.105 -3.793 1.00 1.00 C ATOM 490 CD PRO A 32 25.767 -11.826 -2.941 1.00 1.00 C ATOM 0 HA PRO A 32 28.599 -13.071 -2.410 1.00 1.00 H new ATOM 0 HB2 PRO A 32 28.050 -10.075 -2.370 1.00 1.00 H new ATOM 0 HB3 PRO A 32 28.949 -10.989 -3.565 1.00 1.00 H new ATOM 0 HG2 PRO A 32 26.467 -10.118 -4.091 1.00 1.00 H new ATOM 0 HG3 PRO A 32 27.025 -11.660 -4.708 1.00 1.00 H new ATOM 0 HD2 PRO A 32 25.090 -11.119 -2.462 1.00 1.00 H new ATOM 0 HD3 PRO A 32 25.154 -12.494 -3.546 1.00 1.00 H new ATOM 498 N VAL A 33 29.821 -11.330 -0.696 1.00 1.00 N ATOM 499 CA VAL A 33 30.526 -10.954 0.528 1.00 1.00 C ATOM 500 C VAL A 33 30.722 -12.173 1.442 1.00 1.00 C ATOM 501 O VAL A 33 29.756 -12.655 2.036 1.00 1.00 O ATOM 502 CB VAL A 33 29.730 -9.882 1.271 1.00 1.00 C ATOM 503 CG1 VAL A 33 30.535 -9.389 2.476 1.00 1.00 C ATOM 504 CG2 VAL A 33 29.472 -8.707 0.325 1.00 1.00 C ATOM 0 H VAL A 33 30.328 -11.117 -1.555 1.00 1.00 H new ATOM 0 HA VAL A 33 31.506 -10.563 0.255 1.00 1.00 H new ATOM 0 HB VAL A 33 28.783 -10.301 1.613 1.00 1.00 H new ATOM 0 HG11 VAL A 33 29.966 -8.624 3.005 1.00 1.00 H new ATOM 0 HG12 VAL A 33 30.733 -10.224 3.148 1.00 1.00 H new ATOM 0 HG13 VAL A 33 31.480 -8.967 2.134 1.00 1.00 H new ATOM 0 HG21 VAL A 33 28.904 -7.937 0.847 1.00 1.00 H new ATOM 0 HG22 VAL A 33 30.423 -8.293 -0.009 1.00 1.00 H new ATOM 0 HG23 VAL A 33 28.904 -9.053 -0.539 1.00 1.00 H new ATOM 514 N PRO A 34 31.932 -12.688 1.578 1.00 1.00 N ATOM 515 CA PRO A 34 32.183 -13.868 2.450 1.00 1.00 C ATOM 516 C PRO A 34 32.183 -13.505 3.936 1.00 1.00 C ATOM 517 O PRO A 34 32.433 -12.358 4.309 1.00 1.00 O ATOM 518 CB PRO A 34 33.551 -14.380 1.982 1.00 1.00 C ATOM 519 CG PRO A 34 34.264 -13.171 1.462 1.00 1.00 C ATOM 520 CD PRO A 34 33.184 -12.212 0.937 1.00 1.00 C ATOM 0 HA PRO A 34 31.400 -14.621 2.363 1.00 1.00 H new ATOM 0 HB2 PRO A 34 34.102 -14.839 2.803 1.00 1.00 H new ATOM 0 HB3 PRO A 34 33.444 -15.138 1.206 1.00 1.00 H new ATOM 0 HG2 PRO A 34 34.850 -12.699 2.250 1.00 1.00 H new ATOM 0 HG3 PRO A 34 34.959 -13.443 0.668 1.00 1.00 H new ATOM 0 HD2 PRO A 34 33.403 -11.179 1.208 1.00 1.00 H new ATOM 0 HD3 PRO A 34 33.114 -12.248 -0.150 1.00 1.00 H new ATOM 528 N ASN A 35 31.893 -14.499 4.776 1.00 1.00 N ATOM 529 CA ASN A 35 31.852 -14.306 6.229 1.00 1.00 C ATOM 530 C ASN A 35 33.115 -14.880 6.884 1.00 1.00 C ATOM 531 O ASN A 35 33.655 -14.292 7.822 1.00 1.00 O ATOM 532 CB ASN A 35 30.596 -14.994 6.824 1.00 1.00 C ATOM 533 CG ASN A 35 29.582 -15.301 5.725 1.00 1.00 C ATOM 534 OD1 ASN A 35 29.350 -16.467 5.401 1.00 1.00 O ATOM 535 ND2 ASN A 35 28.959 -14.321 5.132 1.00 1.00 N ATOM 0 H ASN A 35 31.682 -15.450 4.475 1.00 1.00 H new ATOM 0 HA ASN A 35 31.805 -13.236 6.432 1.00 1.00 H new ATOM 0 HB2 ASN A 35 30.884 -15.916 7.329 1.00 1.00 H new ATOM 0 HB3 ASN A 35 30.142 -14.348 7.575 1.00 1.00 H new ATOM 0 HD21 ASN A 35 28.278 -14.519 4.399 1.00 1.00 H new ATOM 0 HD22 ASN A 35 29.152 -13.356 5.402 1.00 1.00 H new ATOM 542 N PRO A 36 33.581 -16.020 6.422 1.00 1.00 N ATOM 543 CA PRO A 36 34.792 -16.684 6.992 1.00 1.00 C ATOM 544 C PRO A 36 36.010 -15.765 7.001 1.00 1.00 C ATOM 545 O PRO A 36 37.040 -16.090 7.587 1.00 1.00 O ATOM 546 CB PRO A 36 35.009 -17.909 6.087 1.00 1.00 C ATOM 547 CG PRO A 36 33.675 -18.172 5.468 1.00 1.00 C ATOM 548 CD PRO A 36 33.010 -16.807 5.312 1.00 1.00 C ATOM 0 HA PRO A 36 34.652 -16.956 8.038 1.00 1.00 H new ATOM 0 HB2 PRO A 36 35.765 -17.710 5.327 1.00 1.00 H new ATOM 0 HB3 PRO A 36 35.354 -18.768 6.662 1.00 1.00 H new ATOM 0 HG2 PRO A 36 33.783 -18.667 4.503 1.00 1.00 H new ATOM 0 HG3 PRO A 36 33.075 -18.829 6.097 1.00 1.00 H new ATOM 0 HD2 PRO A 36 33.235 -16.359 4.344 1.00 1.00 H new ATOM 0 HD3 PRO A 36 31.925 -16.878 5.386 1.00 1.00 H new ATOM 556 N ASP A 37 35.887 -14.616 6.348 1.00 1.00 N ATOM 557 CA ASP A 37 36.985 -13.651 6.295 1.00 1.00 C ATOM 558 C ASP A 37 36.893 -12.673 7.467 1.00 1.00 C ATOM 559 O ASP A 37 37.688 -11.739 7.573 1.00 1.00 O ATOM 560 CB ASP A 37 36.934 -12.873 4.979 1.00 1.00 C ATOM 561 CG ASP A 37 35.562 -12.230 4.807 1.00 1.00 C ATOM 562 OD1 ASP A 37 34.584 -12.858 5.178 1.00 1.00 O ATOM 563 OD2 ASP A 37 35.510 -11.120 4.304 1.00 1.00 O ATOM 0 H ASP A 37 35.045 -14.328 5.850 1.00 1.00 H new ATOM 0 HA ASP A 37 37.927 -14.196 6.359 1.00 1.00 H new ATOM 0 HB2 ASP A 37 37.708 -12.106 4.970 1.00 1.00 H new ATOM 0 HB3 ASP A 37 37.139 -13.542 4.143 1.00 1.00 H new ATOM 568 N TYR A 38 35.911 -12.889 8.347 1.00 1.00 N ATOM 569 CA TYR A 38 35.722 -12.014 9.506 1.00 1.00 C ATOM 570 C TYR A 38 36.560 -12.494 10.689 1.00 1.00 C ATOM 571 O TYR A 38 36.427 -11.979 11.800 1.00 1.00 O ATOM 572 CB TYR A 38 34.244 -11.981 9.918 1.00 1.00 C ATOM 573 CG TYR A 38 33.983 -10.761 10.770 1.00 1.00 C ATOM 574 CD1 TYR A 38 33.817 -9.514 10.157 1.00 1.00 C ATOM 575 CD2 TYR A 38 33.910 -10.874 12.163 1.00 1.00 C ATOM 576 CE1 TYR A 38 33.578 -8.378 10.936 1.00 1.00 C ATOM 577 CE2 TYR A 38 33.671 -9.736 12.944 1.00 1.00 C ATOM 578 CZ TYR A 38 33.504 -8.488 12.329 1.00 1.00 C ATOM 579 OH TYR A 38 33.265 -7.367 13.096 1.00 1.00 O ATOM 0 H TYR A 38 35.241 -13.655 8.280 1.00 1.00 H new ATOM 0 HA TYR A 38 36.043 -11.012 9.223 1.00 1.00 H new ATOM 0 HB2 TYR A 38 33.609 -11.961 9.032 1.00 1.00 H new ATOM 0 HB3 TYR A 38 33.990 -12.885 10.472 1.00 1.00 H new ATOM 0 HD1 TYR A 38 33.874 -9.429 9.082 1.00 1.00 H new ATOM 0 HD2 TYR A 38 34.038 -11.837 12.635 1.00 1.00 H new ATOM 0 HE1 TYR A 38 33.450 -7.416 10.463 1.00 1.00 H new ATOM 0 HE2 TYR A 38 33.615 -9.820 14.019 1.00 1.00 H new ATOM 0 HH TYR A 38 33.243 -7.617 14.043 1.00 1.00 H new ATOM 589 N GLU A 39 37.430 -13.483 10.445 1.00 1.00 N ATOM 590 CA GLU A 39 38.299 -14.022 11.502 1.00 1.00 C ATOM 591 C GLU A 39 39.786 -13.810 11.156 1.00 1.00 C ATOM 592 O GLU A 39 40.577 -14.753 11.205 1.00 1.00 O ATOM 593 CB GLU A 39 38.027 -15.523 11.691 1.00 1.00 C ATOM 594 CG GLU A 39 37.801 -16.180 10.333 1.00 1.00 C ATOM 595 CD GLU A 39 39.007 -15.956 9.425 1.00 1.00 C ATOM 596 OE1 GLU A 39 39.100 -14.885 8.848 1.00 1.00 O ATOM 597 OE2 GLU A 39 39.821 -16.860 9.323 1.00 1.00 O ATOM 0 H GLU A 39 37.551 -13.924 9.533 1.00 1.00 H new ATOM 0 HA GLU A 39 38.077 -13.489 12.427 1.00 1.00 H new ATOM 0 HB2 GLU A 39 38.869 -15.994 12.198 1.00 1.00 H new ATOM 0 HB3 GLU A 39 37.152 -15.667 12.325 1.00 1.00 H new ATOM 0 HG2 GLU A 39 37.630 -17.249 10.463 1.00 1.00 H new ATOM 0 HG3 GLU A 39 36.906 -15.768 9.867 1.00 1.00 H new ATOM 604 N PRO A 40 40.180 -12.603 10.801 1.00 1.00 N ATOM 605 CA PRO A 40 41.604 -12.283 10.431 1.00 1.00 C ATOM 606 C PRO A 40 42.569 -12.398 11.611 1.00 1.00 C ATOM 607 O PRO A 40 43.728 -11.993 11.522 1.00 1.00 O ATOM 608 CB PRO A 40 41.526 -10.829 9.928 1.00 1.00 C ATOM 609 CG PRO A 40 40.313 -10.262 10.594 1.00 1.00 C ATOM 610 CD PRO A 40 39.319 -11.415 10.702 1.00 1.00 C ATOM 0 HA PRO A 40 41.994 -12.984 9.693 1.00 1.00 H new ATOM 0 HB2 PRO A 40 42.422 -10.269 10.195 1.00 1.00 H new ATOM 0 HB3 PRO A 40 41.437 -10.790 8.842 1.00 1.00 H new ATOM 0 HG2 PRO A 40 40.558 -9.864 11.579 1.00 1.00 H new ATOM 0 HG3 PRO A 40 39.896 -9.440 10.012 1.00 1.00 H new ATOM 0 HD2 PRO A 40 38.677 -11.311 11.577 1.00 1.00 H new ATOM 0 HD3 PRO A 40 38.666 -11.464 9.831 1.00 1.00 H new ATOM 618 N ILE A 41 42.084 -12.959 12.705 1.00 1.00 N ATOM 619 CA ILE A 41 42.882 -13.147 13.912 1.00 1.00 C ATOM 620 C ILE A 41 43.287 -14.614 14.049 1.00 1.00 C ATOM 621 O ILE A 41 43.666 -15.069 15.129 1.00 1.00 O ATOM 622 CB ILE A 41 42.068 -12.696 15.147 1.00 1.00 C ATOM 623 CG1 ILE A 41 40.549 -12.928 14.904 1.00 1.00 C ATOM 624 CG2 ILE A 41 42.349 -11.218 15.453 1.00 1.00 C ATOM 625 CD1 ILE A 41 39.876 -11.697 14.264 1.00 1.00 C ATOM 0 H ILE A 41 41.126 -13.298 12.785 1.00 1.00 H new ATOM 0 HA ILE A 41 43.787 -12.543 13.844 1.00 1.00 H new ATOM 0 HB ILE A 41 42.372 -13.291 16.008 1.00 1.00 H new ATOM 0 HG12 ILE A 41 40.413 -13.794 14.257 1.00 1.00 H new ATOM 0 HG13 ILE A 41 40.061 -13.158 15.851 1.00 1.00 H new ATOM 0 HG21 ILE A 41 41.771 -10.911 16.324 1.00 1.00 H new ATOM 0 HG22 ILE A 41 43.411 -11.084 15.657 1.00 1.00 H new ATOM 0 HG23 ILE A 41 42.065 -10.608 14.595 1.00 1.00 H new ATOM 0 HD11 ILE A 41 38.816 -11.900 14.111 1.00 1.00 H new ATOM 0 HD12 ILE A 41 39.989 -10.837 14.924 1.00 1.00 H new ATOM 0 HD13 ILE A 41 40.347 -11.483 13.304 1.00 1.00 H new ATOM 637 N ARG A 42 43.208 -15.346 12.944 1.00 1.00 N ATOM 638 CA ARG A 42 43.577 -16.768 12.933 1.00 1.00 C ATOM 639 C ARG A 42 44.908 -16.962 12.214 1.00 1.00 C ATOM 640 O ARG A 42 44.943 -17.158 10.996 1.00 1.00 O ATOM 641 CB ARG A 42 42.491 -17.591 12.231 1.00 1.00 C ATOM 642 CG ARG A 42 42.849 -19.077 12.302 1.00 1.00 C ATOM 643 CD ARG A 42 41.752 -19.898 11.627 1.00 1.00 C ATOM 644 NE ARG A 42 42.162 -21.293 11.535 1.00 1.00 N ATOM 645 CZ ARG A 42 41.385 -22.198 10.955 1.00 1.00 C ATOM 646 NH1 ARG A 42 40.214 -21.852 10.494 1.00 1.00 N ATOM 647 NH2 ARG A 42 41.792 -23.432 10.847 1.00 1.00 N ATOM 0 H ARG A 42 42.893 -14.985 12.043 1.00 1.00 H new ATOM 0 HA ARG A 42 43.674 -17.108 13.964 1.00 1.00 H new ATOM 0 HB2 ARG A 42 41.525 -17.416 12.704 1.00 1.00 H new ATOM 0 HB3 ARG A 42 42.398 -17.278 11.191 1.00 1.00 H new ATOM 0 HG2 ARG A 42 43.806 -19.255 11.811 1.00 1.00 H new ATOM 0 HG3 ARG A 42 42.962 -19.386 13.341 1.00 1.00 H new ATOM 0 HD2 ARG A 42 40.825 -19.819 12.195 1.00 1.00 H new ATOM 0 HD3 ARG A 42 41.550 -19.503 10.631 1.00 1.00 H new ATOM 0 HE ARG A 42 43.061 -21.578 11.923 1.00 1.00 H new ATOM 0 HH11 ARG A 42 39.897 -20.886 10.580 1.00 1.00 H new ATOM 0 HH12 ARG A 42 39.616 -22.547 10.048 1.00 1.00 H new ATOM 0 HH21 ARG A 42 42.707 -23.701 11.208 1.00 1.00 H new ATOM 0 HH22 ARG A 42 41.195 -24.129 10.401 1.00 1.00 H new ATOM 661 N LYS A 43 46.001 -16.910 12.969 1.00 1.00 N ATOM 662 CA LYS A 43 47.319 -17.086 12.390 1.00 1.00 C ATOM 663 C LYS A 43 48.365 -17.233 13.494 1.00 1.00 C ATOM 664 O LYS A 43 48.169 -16.767 14.616 1.00 1.00 O ATOM 665 CB LYS A 43 47.668 -15.883 11.501 1.00 1.00 C ATOM 666 CG LYS A 43 48.793 -16.240 10.511 1.00 1.00 C ATOM 667 CD LYS A 43 48.268 -17.171 9.401 1.00 1.00 C ATOM 668 CE LYS A 43 49.186 -17.092 8.175 1.00 1.00 C ATOM 669 NZ LYS A 43 50.533 -17.620 8.527 1.00 1.00 N ATOM 0 H LYS A 43 45.996 -16.748 13.976 1.00 1.00 H new ATOM 0 HA LYS A 43 47.316 -17.991 11.782 1.00 1.00 H new ATOM 0 HB2 LYS A 43 46.783 -15.563 10.952 1.00 1.00 H new ATOM 0 HB3 LYS A 43 47.978 -15.044 12.123 1.00 1.00 H new ATOM 0 HG2 LYS A 43 49.197 -15.330 10.068 1.00 1.00 H new ATOM 0 HG3 LYS A 43 49.611 -16.726 11.043 1.00 1.00 H new ATOM 0 HD2 LYS A 43 48.222 -18.197 9.766 1.00 1.00 H new ATOM 0 HD3 LYS A 43 47.253 -16.886 9.125 1.00 1.00 H new ATOM 0 HE2 LYS A 43 48.762 -17.668 7.352 1.00 1.00 H new ATOM 0 HE3 LYS A 43 49.266 -16.060 7.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 51.096 -17.741 7.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 51.014 -16.950 9.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 50.432 -18.538 9.005 1.00 1.00 H new ATOM 683 N GLY A 44 49.472 -17.885 13.161 1.00 1.00 N ATOM 684 CA GLY A 44 50.556 -18.095 14.126 1.00 1.00 C ATOM 685 C GLY A 44 51.434 -16.855 14.254 1.00 1.00 C ATOM 686 O GLY A 44 51.482 -16.224 15.310 1.00 1.00 O ATOM 0 H GLY A 44 49.647 -18.278 12.236 1.00 1.00 H new ATOM 0 HA2 GLY A 44 50.135 -18.347 15.099 1.00 1.00 H new ATOM 0 HA3 GLY A 44 51.165 -18.943 13.813 1.00 1.00 H new ATOM 690 N GLN A 45 52.135 -16.517 13.175 1.00 1.00 N ATOM 691 CA GLN A 45 53.020 -15.353 13.184 1.00 1.00 C ATOM 692 C GLN A 45 53.891 -15.354 14.429 1.00 1.00 C ATOM 693 O GLN A 45 53.535 -14.783 15.459 1.00 1.00 O ATOM 694 CB GLN A 45 52.195 -14.065 13.135 1.00 1.00 C ATOM 695 CG GLN A 45 53.113 -12.838 13.241 1.00 1.00 C ATOM 696 CD GLN A 45 54.207 -12.901 12.183 1.00 1.00 C ATOM 697 OE1 GLN A 45 53.916 -13.338 10.990 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 55.356 -12.549 12.453 1.00 1.00 N flip ATOM 0 H GLN A 45 52.109 -17.026 12.291 1.00 1.00 H new ATOM 0 HA GLN A 45 53.663 -15.404 12.305 1.00 1.00 H new ATOM 0 HB2 GLN A 45 51.628 -14.024 12.205 1.00 1.00 H new ATOM 0 HB3 GLN A 45 51.471 -14.058 13.950 1.00 1.00 H new ATOM 0 HG2 GLN A 45 52.529 -11.927 13.115 1.00 1.00 H new ATOM 0 HG3 GLN A 45 53.560 -12.795 14.234 1.00 1.00 H new ATOM 0 HE21 GLN A 45 55.578 -12.208 13.388 1.00 1.00 H new ATOM 0 HE22 GLN A 45 56.085 -12.599 11.741 1.00 1.00 H new ATOM 707 N ARG A 46 55.039 -15.997 14.317 1.00 1.00 N ATOM 708 CA ARG A 46 55.978 -16.069 15.428 1.00 1.00 C ATOM 709 C ARG A 46 57.241 -16.815 15.017 1.00 1.00 C ATOM 710 O ARG A 46 58.288 -16.673 15.646 1.00 1.00 O ATOM 711 CB ARG A 46 55.334 -16.777 16.617 1.00 1.00 C ATOM 712 CG ARG A 46 54.608 -18.031 16.129 1.00 1.00 C ATOM 713 CD ARG A 46 54.060 -18.798 17.331 1.00 1.00 C ATOM 714 NE ARG A 46 55.162 -19.278 18.157 1.00 1.00 N ATOM 715 CZ ARG A 46 55.952 -20.263 17.741 1.00 1.00 C ATOM 716 NH1 ARG A 46 55.751 -20.813 16.574 1.00 1.00 N ATOM 717 NH2 ARG A 46 56.932 -20.677 18.495 1.00 1.00 N ATOM 0 H ARG A 46 55.346 -16.477 13.471 1.00 1.00 H new ATOM 0 HA ARG A 46 56.245 -15.052 15.713 1.00 1.00 H new ATOM 0 HB2 ARG A 46 56.095 -17.046 17.350 1.00 1.00 H new ATOM 0 HB3 ARG A 46 54.633 -16.108 17.116 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.795 -17.756 15.457 1.00 1.00 H new ATOM 0 HG3 ARG A 46 55.291 -18.663 15.561 1.00 1.00 H new ATOM 0 HD2 ARG A 46 53.408 -18.152 17.919 1.00 1.00 H new ATOM 0 HD3 ARG A 46 53.455 -19.639 16.992 1.00 1.00 H new ATOM 0 HE ARG A 46 55.329 -18.851 19.068 1.00 1.00 H new ATOM 0 HH11 ARG A 46 54.988 -20.487 15.981 1.00 1.00 H new ATOM 0 HH12 ARG A 46 56.357 -21.569 16.255 1.00 1.00 H new ATOM 0 HH21 ARG A 46 57.093 -20.245 19.405 1.00 1.00 H new ATOM 0 HH22 ARG A 46 57.538 -21.433 18.175 1.00 1.00 H new ATOM 731 N ASP A 47 57.134 -17.612 13.958 1.00 1.00 N ATOM 732 CA ASP A 47 58.274 -18.380 13.471 1.00 1.00 C ATOM 733 C ASP A 47 59.060 -17.573 12.449 1.00 1.00 C ATOM 734 O ASP A 47 60.073 -18.035 11.925 1.00 1.00 O ATOM 735 CB ASP A 47 57.797 -19.677 12.822 1.00 1.00 C ATOM 736 CG ASP A 47 56.774 -19.370 11.734 1.00 1.00 C ATOM 737 OD1 ASP A 47 56.337 -18.232 11.662 1.00 1.00 O ATOM 738 OD2 ASP A 47 56.441 -20.277 10.989 1.00 1.00 O ATOM 0 H ASP A 47 56.275 -17.742 13.424 1.00 1.00 H new ATOM 0 HA ASP A 47 58.917 -18.611 14.320 1.00 1.00 H new ATOM 0 HB2 ASP A 47 58.645 -20.213 12.395 1.00 1.00 H new ATOM 0 HB3 ASP A 47 57.355 -20.329 13.575 1.00 1.00 H new ATOM 743 N LEU A 48 58.589 -16.363 12.169 1.00 1.00 N ATOM 744 CA LEU A 48 59.265 -15.510 11.207 1.00 1.00 C ATOM 745 C LEU A 48 60.670 -15.183 11.711 1.00 1.00 C ATOM 746 O LEU A 48 61.602 -15.033 10.921 1.00 1.00 O ATOM 747 CB LEU A 48 58.467 -14.218 10.978 1.00 1.00 C ATOM 748 CG LEU A 48 59.085 -13.404 9.829 1.00 1.00 C ATOM 749 CD1 LEU A 48 58.859 -14.114 8.481 1.00 1.00 C ATOM 750 CD2 LEU A 48 58.433 -12.018 9.801 1.00 1.00 C ATOM 0 H LEU A 48 57.753 -15.957 12.590 1.00 1.00 H new ATOM 0 HA LEU A 48 59.339 -16.038 10.256 1.00 1.00 H new ATOM 0 HB2 LEU A 48 57.430 -14.460 10.744 1.00 1.00 H new ATOM 0 HB3 LEU A 48 58.458 -13.622 11.891 1.00 1.00 H new ATOM 0 HG LEU A 48 60.159 -13.310 9.990 1.00 1.00 H new ATOM 0 HD11 LEU A 48 59.303 -13.523 7.680 1.00 1.00 H new ATOM 0 HD12 LEU A 48 59.324 -15.099 8.506 1.00 1.00 H new ATOM 0 HD13 LEU A 48 57.789 -14.222 8.302 1.00 1.00 H new ATOM 0 HD21 LEU A 48 58.863 -11.430 8.990 1.00 1.00 H new ATOM 0 HD22 LEU A 48 57.360 -12.124 9.643 1.00 1.00 H new ATOM 0 HD23 LEU A 48 58.612 -11.512 10.750 1.00 1.00 H new ATOM 762 N TYR A 49 60.813 -15.066 13.031 1.00 1.00 N ATOM 763 CA TYR A 49 62.110 -14.751 13.621 1.00 1.00 C ATOM 764 C TYR A 49 63.089 -15.912 13.442 1.00 1.00 C ATOM 765 O TYR A 49 64.286 -15.702 13.252 1.00 1.00 O ATOM 766 CB TYR A 49 61.951 -14.414 15.110 1.00 1.00 C ATOM 767 CG TYR A 49 61.054 -13.205 15.253 1.00 1.00 C ATOM 768 CD1 TYR A 49 61.602 -11.918 15.198 1.00 1.00 C ATOM 769 CD2 TYR A 49 59.673 -13.370 15.430 1.00 1.00 C ATOM 770 CE1 TYR A 49 60.773 -10.797 15.326 1.00 1.00 C ATOM 771 CE2 TYR A 49 58.844 -12.247 15.559 1.00 1.00 C ATOM 772 CZ TYR A 49 59.395 -10.961 15.504 1.00 1.00 C ATOM 773 OH TYR A 49 58.578 -9.855 15.629 1.00 1.00 O ATOM 0 H TYR A 49 60.055 -15.183 13.704 1.00 1.00 H new ATOM 0 HA TYR A 49 62.515 -13.881 13.104 1.00 1.00 H new ATOM 0 HB2 TYR A 49 61.525 -15.263 15.644 1.00 1.00 H new ATOM 0 HB3 TYR A 49 62.925 -14.214 15.556 1.00 1.00 H new ATOM 0 HD1 TYR A 49 62.665 -11.790 15.057 1.00 1.00 H new ATOM 0 HD2 TYR A 49 59.248 -14.362 15.467 1.00 1.00 H new ATOM 0 HE1 TYR A 49 61.198 -9.805 15.287 1.00 1.00 H new ATOM 0 HE2 TYR A 49 57.781 -12.374 15.701 1.00 1.00 H new ATOM 0 HH TYR A 49 57.649 -10.146 15.745 1.00 1.00 H new ATOM 783 N SER A 50 62.576 -17.134 13.514 1.00 1.00 N ATOM 784 CA SER A 50 63.415 -18.319 13.361 1.00 1.00 C ATOM 785 C SER A 50 63.897 -18.478 11.919 1.00 1.00 C ATOM 786 O SER A 50 65.045 -18.853 11.672 1.00 1.00 O ATOM 787 CB SER A 50 62.632 -19.561 13.772 1.00 1.00 C ATOM 788 OG SER A 50 63.489 -20.693 13.723 1.00 1.00 O ATOM 0 H SER A 50 61.589 -17.331 13.676 1.00 1.00 H new ATOM 0 HA SER A 50 64.287 -18.198 14.003 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.232 -19.436 14.778 1.00 1.00 H new ATOM 0 HB3 SER A 50 61.781 -19.705 13.106 1.00 1.00 H new ATOM 0 HG SER A 50 62.989 -21.493 13.988 1.00 1.00 H new ATOM 794 N GLY A 51 63.009 -18.200 10.969 1.00 1.00 N ATOM 795 CA GLY A 51 63.353 -18.328 9.550 1.00 1.00 C ATOM 796 C GLY A 51 64.302 -17.217 9.120 1.00 1.00 C ATOM 797 O GLY A 51 64.747 -17.177 7.975 1.00 1.00 O ATOM 0 H GLY A 51 62.055 -17.888 11.149 1.00 1.00 H new ATOM 0 HA2 GLY A 51 63.816 -19.298 9.370 1.00 1.00 H new ATOM 0 HA3 GLY A 51 62.446 -18.291 8.947 1.00 1.00 H new ATOM 801 N LEU A 52 64.598 -16.314 10.047 1.00 1.00 N ATOM 802 CA LEU A 52 65.492 -15.199 9.751 1.00 1.00 C ATOM 803 C LEU A 52 66.895 -15.721 9.437 1.00 1.00 C ATOM 804 O LEU A 52 67.563 -15.234 8.529 1.00 1.00 O ATOM 805 CB LEU A 52 65.534 -14.201 10.934 1.00 1.00 C ATOM 806 CG LEU A 52 65.767 -12.765 10.427 1.00 1.00 C ATOM 807 CD1 LEU A 52 67.032 -12.714 9.562 1.00 1.00 C ATOM 808 CD2 LEU A 52 64.542 -12.280 9.610 1.00 1.00 C ATOM 0 H LEU A 52 64.237 -16.330 11.001 1.00 1.00 H new ATOM 0 HA LEU A 52 65.111 -14.670 8.877 1.00 1.00 H new ATOM 0 HB2 LEU A 52 64.597 -14.248 11.490 1.00 1.00 H new ATOM 0 HB3 LEU A 52 66.329 -14.482 11.625 1.00 1.00 H new ATOM 0 HG LEU A 52 65.898 -12.105 11.285 1.00 1.00 H new ATOM 0 HD11 LEU A 52 67.190 -11.695 9.208 1.00 1.00 H new ATOM 0 HD12 LEU A 52 67.891 -13.029 10.155 1.00 1.00 H new ATOM 0 HD13 LEU A 52 66.916 -13.381 8.708 1.00 1.00 H new ATOM 0 HD21 LEU A 52 64.719 -11.264 9.257 1.00 1.00 H new ATOM 0 HD22 LEU A 52 64.390 -12.939 8.755 1.00 1.00 H new ATOM 0 HD23 LEU A 52 63.654 -12.295 10.242 1.00 1.00 H new ATOM 820 N ASN A 53 67.327 -16.718 10.191 1.00 1.00 N ATOM 821 CA ASN A 53 68.649 -17.305 9.978 1.00 1.00 C ATOM 822 C ASN A 53 68.628 -18.203 8.747 1.00 1.00 C ATOM 823 O ASN A 53 69.188 -19.299 8.753 1.00 1.00 O ATOM 824 CB ASN A 53 69.076 -18.114 11.209 1.00 1.00 C ATOM 825 CG ASN A 53 68.741 -17.336 12.477 1.00 1.00 C ATOM 826 OD1 ASN A 53 68.640 -16.033 12.427 1.00 1.00 O flip ATOM 827 ND2 ASN A 53 68.561 -17.928 13.541 1.00 1.00 N flip ATOM 0 H ASN A 53 66.791 -17.138 10.950 1.00 1.00 H new ATOM 0 HA ASN A 53 69.368 -16.501 9.820 1.00 1.00 H new ATOM 0 HB2 ASN A 53 68.567 -19.078 11.217 1.00 1.00 H new ATOM 0 HB3 ASN A 53 70.146 -18.319 11.168 1.00 1.00 H new ATOM 0 HD21 ASN A 53 68.640 -18.944 13.579 1.00 1.00 H new ATOM 0 HD22 ASN A 53 68.333 -17.402 14.385 1.00 1.00 H new ATOM 834 N GLN A 54 67.985 -17.721 7.686 1.00 1.00 N ATOM 835 CA GLN A 54 67.904 -18.480 6.437 1.00 1.00 C ATOM 836 C GLN A 54 69.276 -18.580 5.776 1.00 1.00 C ATOM 837 O GLN A 54 69.378 -18.662 4.553 1.00 1.00 O ATOM 838 CB GLN A 54 66.928 -17.820 5.460 1.00 1.00 C ATOM 839 CG GLN A 54 67.215 -16.321 5.383 1.00 1.00 C ATOM 840 CD GLN A 54 66.344 -15.679 4.312 1.00 1.00 C ATOM 841 OE1 GLN A 54 65.189 -16.065 4.136 1.00 1.00 O ATOM 842 NE2 GLN A 54 66.834 -14.720 3.576 1.00 1.00 N ATOM 0 H GLN A 54 67.515 -16.816 7.664 1.00 1.00 H new ATOM 0 HA GLN A 54 67.546 -19.480 6.684 1.00 1.00 H new ATOM 0 HB2 GLN A 54 67.026 -18.270 4.472 1.00 1.00 H new ATOM 0 HB3 GLN A 54 65.902 -17.988 5.786 1.00 1.00 H new ATOM 0 HG2 GLN A 54 67.021 -15.855 6.349 1.00 1.00 H new ATOM 0 HG3 GLN A 54 68.268 -16.155 5.155 1.00 1.00 H new ATOM 0 HE21 GLN A 54 67.792 -14.402 3.724 1.00 1.00 H new ATOM 0 HE22 GLN A 54 66.259 -14.288 2.852 1.00 1.00 H new ATOM 851 N ARG A 55 70.319 -18.561 6.594 1.00 1.00 N ATOM 852 CA ARG A 55 71.689 -18.651 6.093 1.00 1.00 C ATOM 853 C ARG A 55 71.987 -17.500 5.155 1.00 1.00 C ATOM 854 O ARG A 55 71.254 -17.249 4.199 1.00 1.00 O ATOM 855 CB ARG A 55 71.905 -19.991 5.369 1.00 1.00 C ATOM 856 CG ARG A 55 73.275 -20.036 4.665 1.00 1.00 C ATOM 857 CD ARG A 55 74.401 -19.843 5.682 1.00 1.00 C ATOM 858 NE ARG A 55 75.688 -20.172 5.084 1.00 1.00 N ATOM 859 CZ ARG A 55 76.814 -19.988 5.759 1.00 1.00 C ATOM 860 NH1 ARG A 55 76.767 -19.530 6.979 1.00 1.00 N ATOM 861 NH2 ARG A 55 77.963 -20.270 5.207 1.00 1.00 N ATOM 0 H ARG A 55 70.246 -18.484 7.608 1.00 1.00 H new ATOM 0 HA ARG A 55 72.371 -18.595 6.942 1.00 1.00 H new ATOM 0 HB2 ARG A 55 71.836 -20.809 6.086 1.00 1.00 H new ATOM 0 HB3 ARG A 55 71.113 -20.142 4.636 1.00 1.00 H new ATOM 0 HG2 ARG A 55 73.397 -20.991 4.154 1.00 1.00 H new ATOM 0 HG3 ARG A 55 73.326 -19.258 3.904 1.00 1.00 H new ATOM 0 HD2 ARG A 55 74.409 -18.811 6.033 1.00 1.00 H new ATOM 0 HD3 ARG A 55 74.225 -20.475 6.553 1.00 1.00 H new ATOM 0 HE ARG A 55 75.723 -20.548 4.136 1.00 1.00 H new ATOM 0 HH11 ARG A 55 75.867 -19.315 7.409 1.00 1.00 H new ATOM 0 HH12 ARG A 55 77.630 -19.386 7.503 1.00 1.00 H new ATOM 0 HH21 ARG A 55 77.996 -20.633 4.254 1.00 1.00 H new ATOM 0 HH22 ARG A 55 78.828 -20.128 5.728 1.00 1.00 H new ATOM 875 N ALA A 56 73.077 -16.817 5.441 1.00 1.00 N ATOM 876 CA ALA A 56 73.493 -15.687 4.616 1.00 1.00 C ATOM 877 C ALA A 56 72.346 -14.705 4.433 1.00 1.00 C ATOM 878 O ALA A 56 71.904 -14.448 3.314 1.00 1.00 O ATOM 879 CB ALA A 56 73.943 -16.190 3.249 1.00 1.00 C ATOM 0 H ALA A 56 73.691 -17.018 6.231 1.00 1.00 H new ATOM 0 HA ALA A 56 74.317 -15.179 5.117 1.00 1.00 H new ATOM 0 HB1 ALA A 56 74.253 -15.345 2.634 1.00 1.00 H new ATOM 0 HB2 ALA A 56 74.781 -16.876 3.372 1.00 1.00 H new ATOM 0 HB3 ALA A 56 73.117 -16.709 2.762 1.00 1.00 H new ATOM 885 N VAL A 57 71.869 -14.164 5.541 1.00 1.00 N ATOM 886 CA VAL A 57 70.774 -13.208 5.508 1.00 1.00 C ATOM 887 C VAL A 57 70.994 -12.167 4.413 1.00 1.00 C ATOM 888 O VAL A 57 72.141 -11.827 4.168 1.00 1.00 O ATOM 889 CB VAL A 57 70.658 -12.506 6.860 1.00 1.00 C ATOM 890 CG1 VAL A 57 70.341 -13.532 7.949 1.00 1.00 C ATOM 891 CG2 VAL A 57 71.979 -11.805 7.191 1.00 1.00 C ATOM 892 OXT VAL A 57 70.014 -11.726 3.836 1.00 1.00 O ATOM 0 H VAL A 57 72.223 -14.370 6.475 1.00 1.00 H new ATOM 0 HA VAL A 57 69.853 -13.751 5.294 1.00 1.00 H new ATOM 0 HB VAL A 57 69.857 -11.769 6.813 1.00 1.00 H new ATOM 0 HG11 VAL A 57 70.259 -13.027 8.912 1.00 1.00 H new ATOM 0 HG12 VAL A 57 69.398 -14.028 7.718 1.00 1.00 H new ATOM 0 HG13 VAL A 57 71.139 -14.273 7.994 1.00 1.00 H new ATOM 0 HG21 VAL A 57 71.894 -11.305 8.156 1.00 1.00 H new ATOM 0 HG22 VAL A 57 72.781 -12.542 7.234 1.00 1.00 H new ATOM 0 HG23 VAL A 57 72.203 -11.069 6.419 1.00 1.00 H new TER 902 VAL A 57