USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 474 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 ALA N :NH3+ 144:sc= 0.0248 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.0561 (180deg=-0.373) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.958 K(o=-0.96,f=-2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -1.39 USER MOD Single : A 20 THR OG1 : rot 21:sc= -0.591! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.139 K(o=-0.14,f=-5.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 165:sc= -0.0399 USER MOD Single : A 29 ASN : amide:sc= -9.67! C(o=-9.7!,f=-3.6!) USER MOD Single : A 30 SER OG : rot -91:sc= 0.727 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.765 X(o=-0.76,f=-0.92) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0037 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.216 K(o=0.22,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 1.19 K(o=1.2,f=-0.03) USER MOD Single : A 48 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.7) USER MOD Single : A 49 ASN : amide:sc= -2.18! C(o=-2.2!,f=-6.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 58 GLN : amide:sc= -0.0738 K(o=-0.074,f=-0.75) USER MOD Single : A 59 THR OG1 : rot 101:sc= 1.16 USER MOD Single : A 61 GLN : amide:sc= -13.3! C(o=-13!,f=-12!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.185 -1.143 -4.425 1.00 62.41 N ATOM 2 CA ALA A 1 1.589 -0.879 -4.172 1.00 63.34 C ATOM 3 C ALA A 1 2.204 -0.264 -5.408 1.00 65.45 C ATOM 4 O ALA A 1 1.956 -0.724 -6.517 1.00 1.41 O ATOM 5 CB ALA A 1 2.310 -2.167 -3.802 1.00 2.32 C ATOM 0 H1 ALA A 1 -0.094 -2.023 -3.947 1.00 62.41 H new ATOM 0 H2 ALA A 1 -0.388 -0.355 -4.061 1.00 62.41 H new ATOM 0 H3 ALA A 1 0.029 -1.241 -5.449 1.00 62.41 H new ATOM 0 HA ALA A 1 1.686 -0.186 -3.336 1.00 63.34 H new ATOM 0 HB1 ALA A 1 3.362 -1.954 -3.615 1.00 2.32 H new ATOM 0 HB2 ALA A 1 1.860 -2.591 -2.904 1.00 2.32 H new ATOM 0 HB3 ALA A 1 2.224 -2.880 -4.622 1.00 2.32 H new ATOM 13 N ARG A 2 2.986 0.777 -5.219 1.00 31.54 N ATOM 14 CA ARG A 2 3.614 1.460 -6.333 1.00 22.22 C ATOM 15 C ARG A 2 4.865 0.755 -6.830 1.00 22.35 C ATOM 16 O ARG A 2 5.840 0.575 -6.082 1.00 20.25 O ATOM 17 CB ARG A 2 3.929 2.913 -6.004 1.00 55.31 C ATOM 18 CG ARG A 2 2.737 3.837 -6.064 1.00 74.34 C ATOM 19 CD ARG A 2 3.147 5.253 -5.732 1.00 10.12 C ATOM 20 NE ARG A 2 2.084 6.218 -6.008 1.00 33.42 N ATOM 21 CZ ARG A 2 1.561 7.067 -5.127 1.00 52.54 C ATOM 22 NH1 ARG A 2 1.877 6.991 -3.839 1.00 23.22 N ATOM 23 NH2 ARG A 2 0.693 7.980 -5.539 1.00 44.41 N ATOM 0 H ARG A 2 3.203 1.171 -4.303 1.00 31.54 H new ATOM 0 HA ARG A 2 2.881 1.436 -7.140 1.00 22.22 H new ATOM 0 HB2 ARG A 2 4.361 2.961 -5.005 1.00 55.31 H new ATOM 0 HB3 ARG A 2 4.689 3.274 -6.698 1.00 55.31 H new ATOM 0 HG2 ARG A 2 2.294 3.804 -7.059 1.00 74.34 H new ATOM 0 HG3 ARG A 2 1.973 3.500 -5.364 1.00 74.34 H new ATOM 0 HD2 ARG A 2 3.423 5.311 -4.679 1.00 10.12 H new ATOM 0 HD3 ARG A 2 4.033 5.517 -6.309 1.00 10.12 H new ATOM 0 HE ARG A 2 1.711 6.243 -6.957 1.00 33.42 H new ATOM 0 HH11 ARG A 2 2.528 6.276 -3.515 1.00 23.22 H new ATOM 0 HH12 ARG A 2 1.469 7.648 -3.174 1.00 23.22 H new ATOM 0 HH21 ARG A 2 0.431 8.027 -6.524 1.00 44.41 H new ATOM 0 HH22 ARG A 2 0.287 8.635 -4.871 1.00 44.41 H new ATOM 37 N PRO A 3 4.847 0.356 -8.098 1.00 74.14 N ATOM 38 CA PRO A 3 5.963 -0.237 -8.783 1.00 74.44 C ATOM 39 C PRO A 3 6.539 0.803 -9.757 1.00 44.01 C ATOM 40 O PRO A 3 6.527 2.011 -9.470 1.00 74.42 O ATOM 41 CB PRO A 3 5.245 -1.360 -9.559 1.00 31.00 C ATOM 42 CG PRO A 3 3.844 -0.854 -9.806 1.00 63.51 C ATOM 43 CD PRO A 3 3.683 0.407 -8.994 1.00 20.50 C ATOM 0 HA PRO A 3 6.786 -0.580 -8.156 1.00 74.44 H new ATOM 0 HB2 PRO A 3 5.755 -1.575 -10.498 1.00 31.00 H new ATOM 0 HB3 PRO A 3 5.231 -2.286 -8.984 1.00 31.00 H new ATOM 0 HG2 PRO A 3 3.687 -0.653 -10.866 1.00 63.51 H new ATOM 0 HG3 PRO A 3 3.106 -1.600 -9.511 1.00 63.51 H new ATOM 0 HD2 PRO A 3 3.692 1.298 -9.622 1.00 20.50 H new ATOM 0 HD3 PRO A 3 2.744 0.417 -8.440 1.00 20.50 H new ATOM 51 N LYS A 4 6.993 0.345 -10.909 1.00 53.21 N ATOM 52 CA LYS A 4 7.503 1.289 -11.870 1.00 33.34 C ATOM 53 C LYS A 4 6.929 1.052 -13.233 1.00 1.15 C ATOM 54 O LYS A 4 7.166 0.008 -13.848 1.00 54.01 O ATOM 55 CB LYS A 4 9.028 1.595 -11.923 1.00 42.34 C ATOM 56 CG LYS A 4 9.582 2.290 -10.693 1.00 50.14 C ATOM 57 CD LYS A 4 10.978 2.831 -10.974 1.00 32.12 C ATOM 58 CE LYS A 4 12.026 1.731 -11.016 1.00 62.41 C ATOM 59 NZ LYS A 4 12.167 1.042 -9.716 1.00 4.42 N ATOM 0 H LYS A 4 7.018 -0.635 -11.190 1.00 53.21 H new ATOM 0 HA LYS A 4 7.135 2.225 -11.450 1.00 33.34 H new ATOM 0 HB2 LYS A 4 9.567 0.659 -12.067 1.00 42.34 H new ATOM 0 HB3 LYS A 4 9.229 2.217 -12.796 1.00 42.34 H new ATOM 0 HG2 LYS A 4 8.921 3.105 -10.399 1.00 50.14 H new ATOM 0 HG3 LYS A 4 9.617 1.591 -9.857 1.00 50.14 H new ATOM 0 HD2 LYS A 4 10.974 3.363 -11.926 1.00 32.12 H new ATOM 0 HD3 LYS A 4 11.246 3.556 -10.205 1.00 32.12 H new ATOM 0 HE2 LYS A 4 11.757 1.004 -11.783 1.00 62.41 H new ATOM 0 HE3 LYS A 4 12.986 2.158 -11.305 1.00 62.41 H new ATOM 0 HZ1 LYS A 4 13.071 0.528 -9.692 1.00 4.42 H new ATOM 0 HZ2 LYS A 4 12.146 1.743 -8.948 1.00 4.42 H new ATOM 0 HZ3 LYS A 4 11.383 0.369 -9.593 1.00 4.42 H new ATOM 73 N ASP A 5 6.134 1.995 -13.658 1.00 11.44 N ATOM 74 CA ASP A 5 5.503 1.883 -14.962 1.00 44.31 C ATOM 75 C ASP A 5 6.527 2.509 -15.844 1.00 22.42 C ATOM 76 O ASP A 5 7.634 2.847 -15.392 1.00 53.44 O ATOM 77 CB ASP A 5 4.202 2.710 -15.025 1.00 13.43 C ATOM 78 CG ASP A 5 3.179 2.340 -13.978 1.00 63.41 C ATOM 79 OD1 ASP A 5 2.393 1.381 -14.176 1.00 61.02 O ATOM 80 OD2 ASP A 5 3.104 3.035 -12.952 1.00 40.14 O ATOM 0 H ASP A 5 5.904 2.841 -13.136 1.00 11.44 H new ATOM 0 HA ASP A 5 5.228 0.861 -15.223 1.00 44.31 H new ATOM 0 HB2 ASP A 5 4.451 3.766 -14.916 1.00 13.43 H new ATOM 0 HB3 ASP A 5 3.755 2.588 -16.012 1.00 13.43 H new ATOM 85 N ARG A 6 6.232 2.644 -17.093 1.00 51.21 N ATOM 86 CA ARG A 6 6.920 3.632 -17.838 1.00 13.42 C ATOM 87 C ARG A 6 6.042 4.862 -17.733 1.00 4.33 C ATOM 88 O ARG A 6 4.974 4.927 -18.359 1.00 52.22 O ATOM 89 CB ARG A 6 7.052 3.162 -19.289 1.00 21.40 C ATOM 90 CG ARG A 6 7.946 1.942 -19.465 1.00 62.00 C ATOM 91 CD ARG A 6 7.449 1.023 -20.569 1.00 21.25 C ATOM 92 NE ARG A 6 6.532 -0.008 -20.046 1.00 14.32 N ATOM 93 CZ ARG A 6 5.467 -0.531 -20.680 1.00 2.42 C ATOM 94 NH1 ARG A 6 5.069 -0.055 -21.852 1.00 2.14 N ATOM 95 NH2 ARG A 6 4.813 -1.548 -20.130 1.00 14.04 N ATOM 0 H ARG A 6 5.539 2.098 -17.604 1.00 51.21 H new ATOM 0 HA ARG A 6 7.928 3.831 -17.475 1.00 13.42 H new ATOM 0 HB2 ARG A 6 6.060 2.932 -19.677 1.00 21.40 H new ATOM 0 HB3 ARG A 6 7.448 3.980 -19.891 1.00 21.40 H new ATOM 0 HG2 ARG A 6 8.961 2.267 -19.694 1.00 62.00 H new ATOM 0 HG3 ARG A 6 7.992 1.389 -18.527 1.00 62.00 H new ATOM 0 HD2 ARG A 6 6.939 1.612 -21.331 1.00 21.25 H new ATOM 0 HD3 ARG A 6 8.299 0.543 -21.054 1.00 21.25 H new ATOM 0 HE ARG A 6 6.725 -0.360 -19.108 1.00 14.32 H new ATOM 0 HH11 ARG A 6 5.572 0.719 -22.286 1.00 2.14 H new ATOM 0 HH12 ARG A 6 4.259 -0.463 -22.320 1.00 2.14 H new ATOM 0 HH21 ARG A 6 5.119 -1.926 -19.234 1.00 14.04 H new ATOM 0 HH22 ARG A 6 4.004 -1.950 -20.604 1.00 14.04 H new ATOM 109 N PRO A 7 6.464 5.845 -16.933 1.00 62.01 N ATOM 110 CA PRO A 7 5.736 7.066 -16.718 1.00 52.15 C ATOM 111 C PRO A 7 5.708 8.020 -17.780 1.00 30.23 C ATOM 112 O PRO A 7 6.513 8.911 -17.788 1.00 71.32 O ATOM 113 CB PRO A 7 6.218 7.626 -15.378 1.00 20.52 C ATOM 114 CG PRO A 7 7.107 6.565 -14.822 1.00 33.52 C ATOM 115 CD PRO A 7 7.591 5.771 -16.003 1.00 51.44 C ATOM 0 HA PRO A 7 4.674 6.821 -16.695 1.00 52.15 H new ATOM 0 HB2 PRO A 7 6.757 8.564 -15.512 1.00 20.52 H new ATOM 0 HB3 PRO A 7 5.381 7.831 -14.711 1.00 20.52 H new ATOM 0 HG2 PRO A 7 7.943 7.003 -14.277 1.00 33.52 H new ATOM 0 HG3 PRO A 7 6.566 5.930 -14.120 1.00 33.52 H new ATOM 0 HD2 PRO A 7 8.497 6.198 -16.432 1.00 51.44 H new ATOM 0 HD3 PRO A 7 7.822 4.741 -15.730 1.00 51.44 H new ATOM 123 N SER A 8 4.778 7.722 -18.733 1.00 72.32 N ATOM 124 CA SER A 8 4.224 8.612 -19.763 1.00 62.21 C ATOM 125 C SER A 8 5.230 9.604 -20.242 1.00 42.12 C ATOM 126 O SER A 8 5.823 9.443 -21.314 1.00 41.34 O ATOM 127 CB SER A 8 2.956 9.300 -19.239 1.00 41.02 C ATOM 128 OG SER A 8 2.007 8.347 -18.779 1.00 42.32 O ATOM 0 H SER A 8 4.377 6.786 -18.795 1.00 72.32 H new ATOM 0 HA SER A 8 3.954 8.004 -20.627 1.00 62.21 H new ATOM 0 HB2 SER A 8 3.217 9.979 -18.427 1.00 41.02 H new ATOM 0 HB3 SER A 8 2.514 9.905 -20.031 1.00 41.02 H new ATOM 0 HG SER A 8 1.210 8.812 -18.449 1.00 42.32 H new ATOM 134 N TYR A 9 5.428 10.613 -19.385 1.00 54.14 N ATOM 135 CA TYR A 9 6.423 11.616 -19.507 1.00 13.41 C ATOM 136 C TYR A 9 7.705 11.109 -19.996 1.00 1.31 C ATOM 137 O TYR A 9 8.228 11.707 -20.914 1.00 74.04 O ATOM 138 CB TYR A 9 6.623 12.346 -18.190 1.00 31.31 C ATOM 139 CG TYR A 9 5.460 13.185 -17.778 1.00 70.11 C ATOM 140 CD1 TYR A 9 4.413 13.377 -18.644 1.00 63.12 C ATOM 141 CD2 TYR A 9 5.432 13.823 -16.551 1.00 25.22 C ATOM 142 CE1 TYR A 9 3.350 14.176 -18.308 1.00 3.11 C ATOM 143 CE2 TYR A 9 4.379 14.635 -16.201 1.00 40.34 C ATOM 144 CZ TYR A 9 3.340 14.808 -17.082 1.00 3.10 C ATOM 145 OH TYR A 9 2.287 15.634 -16.743 1.00 64.22 O ATOM 0 H TYR A 9 4.852 10.733 -18.552 1.00 54.14 H new ATOM 0 HA TYR A 9 6.051 12.312 -20.258 1.00 13.41 H new ATOM 0 HB2 TYR A 9 6.825 11.614 -17.408 1.00 31.31 H new ATOM 0 HB3 TYR A 9 7.506 12.980 -18.269 1.00 31.31 H new ATOM 0 HD1 TYR A 9 4.426 12.890 -19.608 1.00 63.12 H new ATOM 0 HD2 TYR A 9 6.248 13.681 -15.858 1.00 25.22 H new ATOM 0 HE1 TYR A 9 2.529 14.309 -18.997 1.00 3.11 H new ATOM 0 HE2 TYR A 9 4.369 15.132 -15.242 1.00 40.34 H new ATOM 0 HH TYR A 9 2.434 16.000 -15.846 1.00 64.22 H new ATOM 155 N CYS A 10 8.264 10.003 -19.439 1.00 75.53 N ATOM 156 CA CYS A 10 9.489 9.415 -19.887 1.00 72.04 C ATOM 157 C CYS A 10 9.524 9.373 -21.401 1.00 73.32 C ATOM 158 O CYS A 10 10.408 9.919 -22.018 1.00 70.54 O ATOM 159 CB CYS A 10 9.521 7.945 -19.504 1.00 75.14 C ATOM 160 SG CYS A 10 9.411 7.596 -17.753 1.00 51.55 S ATOM 0 H CYS A 10 7.843 9.509 -18.652 1.00 75.53 H new ATOM 0 HA CYS A 10 10.301 9.999 -19.453 1.00 72.04 H new ATOM 0 HB2 CYS A 10 8.698 7.439 -20.009 1.00 75.14 H new ATOM 0 HB3 CYS A 10 10.445 7.509 -19.885 1.00 75.14 H new ATOM 165 N ASN A 11 8.486 8.836 -22.010 1.00 62.40 N ATOM 166 CA ASN A 11 8.549 8.576 -23.473 1.00 53.11 C ATOM 167 C ASN A 11 8.006 9.713 -24.314 1.00 72.43 C ATOM 168 O ASN A 11 7.838 9.573 -25.531 1.00 41.24 O ATOM 169 CB ASN A 11 7.936 7.299 -23.932 1.00 51.31 C ATOM 170 CG ASN A 11 8.506 6.021 -23.352 1.00 31.01 C ATOM 171 OD1 ASN A 11 9.674 5.937 -22.999 1.00 25.04 O ATOM 172 ND2 ASN A 11 7.689 5.001 -23.287 1.00 62.31 N ATOM 0 H ASN A 11 7.612 8.572 -21.555 1.00 62.40 H new ATOM 0 HA ASN A 11 9.624 8.486 -23.632 1.00 53.11 H new ATOM 0 HB2 ASN A 11 6.871 7.331 -23.702 1.00 51.31 H new ATOM 0 HB3 ASN A 11 8.026 7.250 -25.017 1.00 51.31 H new ATOM 0 HD21 ASN A 11 8.021 4.103 -22.934 1.00 62.31 H new ATOM 0 HD22 ASN A 11 6.720 5.103 -23.589 1.00 62.31 H new ATOM 179 N LEU A 12 7.627 10.780 -23.679 1.00 52.13 N ATOM 180 CA LEU A 12 6.979 11.890 -24.369 1.00 51.22 C ATOM 181 C LEU A 12 7.996 12.834 -25.021 1.00 24.54 C ATOM 182 O LEU A 12 9.142 12.944 -24.580 1.00 23.12 O ATOM 183 CB LEU A 12 6.067 12.688 -23.419 1.00 45.51 C ATOM 184 CG LEU A 12 4.838 11.972 -22.860 1.00 43.41 C ATOM 185 CD1 LEU A 12 4.003 12.932 -22.038 1.00 14.14 C ATOM 186 CD2 LEU A 12 3.999 11.371 -23.972 1.00 1.13 C ATOM 0 H LEU A 12 7.750 10.920 -22.676 1.00 52.13 H new ATOM 0 HA LEU A 12 6.369 11.448 -25.156 1.00 51.22 H new ATOM 0 HB2 LEU A 12 6.671 13.027 -22.578 1.00 45.51 H new ATOM 0 HB3 LEU A 12 5.727 13.579 -23.947 1.00 45.51 H new ATOM 0 HG LEU A 12 5.183 11.160 -22.220 1.00 43.41 H new ATOM 0 HD11 LEU A 12 3.130 12.411 -21.645 1.00 14.14 H new ATOM 0 HD12 LEU A 12 4.599 13.316 -21.210 1.00 14.14 H new ATOM 0 HD13 LEU A 12 3.678 13.761 -22.666 1.00 14.14 H new ATOM 0 HD21 LEU A 12 3.132 10.869 -23.543 1.00 1.13 H new ATOM 0 HD22 LEU A 12 3.664 12.162 -24.643 1.00 1.13 H new ATOM 0 HD23 LEU A 12 4.597 10.650 -24.530 1.00 1.13 H new ATOM 198 N PRO A 13 7.604 13.480 -26.124 1.00 54.34 N ATOM 199 CA PRO A 13 8.413 14.500 -26.785 1.00 2.10 C ATOM 200 C PRO A 13 8.260 15.865 -26.081 1.00 35.13 C ATOM 201 O PRO A 13 7.209 16.172 -25.504 1.00 41.44 O ATOM 202 CB PRO A 13 7.814 14.569 -28.206 1.00 43.51 C ATOM 203 CG PRO A 13 6.789 13.482 -28.266 1.00 1.44 C ATOM 204 CD PRO A 13 6.365 13.235 -26.858 1.00 62.44 C ATOM 0 HA PRO A 13 9.477 14.264 -26.773 1.00 2.10 H new ATOM 0 HB2 PRO A 13 7.363 15.543 -28.394 1.00 43.51 H new ATOM 0 HB3 PRO A 13 8.584 14.423 -28.963 1.00 43.51 H new ATOM 0 HG2 PRO A 13 5.941 13.780 -28.882 1.00 1.44 H new ATOM 0 HG3 PRO A 13 7.205 12.578 -28.712 1.00 1.44 H new ATOM 0 HD2 PRO A 13 5.566 13.909 -26.548 1.00 62.44 H new ATOM 0 HD3 PRO A 13 5.999 12.219 -26.714 1.00 62.44 H new ATOM 212 N ALA A 14 9.327 16.637 -26.098 1.00 73.32 N ATOM 213 CA ALA A 14 9.347 17.963 -25.491 1.00 20.22 C ATOM 214 C ALA A 14 8.482 18.964 -26.289 1.00 14.42 C ATOM 215 O ALA A 14 8.402 18.855 -27.520 1.00 55.21 O ATOM 216 CB ALA A 14 10.769 18.448 -25.430 1.00 22.13 C ATOM 0 H ALA A 14 10.209 16.367 -26.533 1.00 73.32 H new ATOM 0 HA ALA A 14 8.928 17.894 -24.487 1.00 20.22 H new ATOM 0 HB1 ALA A 14 10.796 19.439 -24.978 1.00 22.13 H new ATOM 0 HB2 ALA A 14 11.363 17.759 -24.830 1.00 22.13 H new ATOM 0 HB3 ALA A 14 11.180 18.498 -26.438 1.00 22.13 H new ATOM 222 N ASP A 15 7.888 19.938 -25.608 1.00 25.04 N ATOM 223 CA ASP A 15 7.199 21.067 -26.237 1.00 62.12 C ATOM 224 C ASP A 15 7.645 22.361 -25.596 1.00 24.15 C ATOM 225 O ASP A 15 7.481 22.564 -24.394 1.00 15.35 O ATOM 226 CB ASP A 15 5.662 20.979 -26.267 1.00 24.11 C ATOM 227 CG ASP A 15 5.089 19.899 -27.164 1.00 52.41 C ATOM 228 OD1 ASP A 15 5.167 20.047 -28.417 1.00 64.13 O ATOM 229 OD2 ASP A 15 4.454 18.952 -26.672 1.00 32.02 O ATOM 0 H ASP A 15 7.869 19.969 -24.589 1.00 25.04 H new ATOM 0 HA ASP A 15 7.492 21.032 -27.286 1.00 62.12 H new ATOM 0 HB2 ASP A 15 5.305 20.811 -25.251 1.00 24.11 H new ATOM 0 HB3 ASP A 15 5.266 21.942 -26.589 1.00 24.11 H new ATOM 234 N SER A 16 8.256 23.204 -26.371 1.00 31.52 N ATOM 235 CA SER A 16 8.922 24.349 -25.836 1.00 1.53 C ATOM 236 C SER A 16 8.009 25.578 -25.592 1.00 21.22 C ATOM 237 O SER A 16 8.200 26.305 -24.624 1.00 64.02 O ATOM 238 CB SER A 16 10.143 24.703 -26.673 1.00 30.54 C ATOM 239 OG SER A 16 9.809 24.925 -28.049 1.00 12.12 O ATOM 0 H SER A 16 8.306 23.118 -27.386 1.00 31.52 H new ATOM 0 HA SER A 16 9.251 24.058 -24.838 1.00 1.53 H new ATOM 0 HB2 SER A 16 10.614 25.598 -26.266 1.00 30.54 H new ATOM 0 HB3 SER A 16 10.875 23.898 -26.604 1.00 30.54 H new ATOM 0 HG SER A 16 10.620 25.151 -28.550 1.00 12.12 H new ATOM 245 N GLY A 17 6.979 25.754 -26.410 1.00 45.11 N ATOM 246 CA GLY A 17 6.160 26.966 -26.319 1.00 3.04 C ATOM 247 C GLY A 17 6.840 28.159 -27.011 1.00 54.55 C ATOM 248 O GLY A 17 7.889 28.036 -27.648 1.00 21.12 O ATOM 0 H GLY A 17 6.691 25.092 -27.130 1.00 45.11 H new ATOM 0 HA2 GLY A 17 5.188 26.784 -26.777 1.00 3.04 H new ATOM 0 HA3 GLY A 17 5.979 27.206 -25.271 1.00 3.04 H new ATOM 252 N SER A 18 6.197 29.316 -26.807 1.00 41.40 N ATOM 253 CA SER A 18 6.594 30.510 -27.613 1.00 21.32 C ATOM 254 C SER A 18 7.635 31.316 -26.851 1.00 64.51 C ATOM 255 O SER A 18 8.093 32.396 -27.248 1.00 50.22 O ATOM 256 CB SER A 18 5.368 31.341 -27.944 1.00 34.54 C ATOM 257 OG SER A 18 4.651 31.672 -26.767 1.00 12.22 O ATOM 0 H SER A 18 5.443 29.464 -26.137 1.00 41.40 H new ATOM 0 HA SER A 18 7.040 30.191 -28.555 1.00 21.32 H new ATOM 0 HB2 SER A 18 5.670 32.253 -28.460 1.00 34.54 H new ATOM 0 HB3 SER A 18 4.722 30.788 -28.626 1.00 34.54 H new ATOM 0 HG SER A 18 3.866 32.209 -27.002 1.00 12.22 H new ATOM 263 N GLY A 19 7.976 30.727 -25.770 1.00 10.51 N ATOM 264 CA GLY A 19 9.086 31.205 -25.040 1.00 55.43 C ATOM 265 C GLY A 19 8.773 32.248 -24.041 1.00 30.13 C ATOM 266 O GLY A 19 7.957 33.149 -24.263 1.00 52.40 O ATOM 0 H GLY A 19 7.505 29.915 -25.371 1.00 10.51 H new ATOM 0 HA2 GLY A 19 9.556 30.364 -24.530 1.00 55.43 H new ATOM 0 HA3 GLY A 19 9.819 31.603 -25.741 1.00 55.43 H new ATOM 270 N THR A 20 9.386 32.103 -22.932 1.00 21.41 N ATOM 271 CA THR A 20 9.409 33.030 -21.877 1.00 5.20 C ATOM 272 C THR A 20 10.686 32.813 -21.074 1.00 14.13 C ATOM 273 O THR A 20 11.542 33.701 -21.036 1.00 72.44 O ATOM 274 CB THR A 20 8.067 32.966 -21.092 1.00 32.34 C ATOM 275 OG1 THR A 20 6.894 33.427 -21.738 1.00 4.12 O ATOM 276 CG2 THR A 20 7.776 31.603 -20.443 1.00 70.44 C ATOM 0 H THR A 20 9.928 31.264 -22.724 1.00 21.41 H new ATOM 0 HA THR A 20 9.459 34.063 -22.220 1.00 5.20 H new ATOM 0 HB THR A 20 8.288 33.707 -20.324 1.00 32.34 H new ATOM 0 HG1 THR A 20 7.031 33.422 -22.708 1.00 4.12 H new ATOM 0 HG21 THR A 20 6.822 31.647 -19.917 1.00 70.44 H new ATOM 0 HG22 THR A 20 7.730 30.835 -21.215 1.00 70.44 H new ATOM 0 HG23 THR A 20 8.569 31.360 -19.736 1.00 70.44 H new ATOM 284 N LYS A 21 10.868 31.665 -20.532 1.00 15.22 N ATOM 285 CA LYS A 21 12.170 31.387 -19.972 1.00 11.41 C ATOM 286 C LYS A 21 12.772 30.218 -20.689 1.00 10.13 C ATOM 287 O LYS A 21 12.440 29.097 -20.396 1.00 30.34 O ATOM 288 CB LYS A 21 12.151 31.100 -18.471 1.00 51.31 C ATOM 289 CG LYS A 21 11.737 32.253 -17.587 1.00 65.20 C ATOM 290 CD LYS A 21 12.067 31.948 -16.129 1.00 52.12 C ATOM 291 CE LYS A 21 13.579 31.792 -15.926 1.00 12.45 C ATOM 292 NZ LYS A 21 13.940 31.522 -14.519 1.00 22.13 N ATOM 0 H LYS A 21 10.175 30.920 -20.457 1.00 15.22 H new ATOM 0 HA LYS A 21 12.766 32.290 -20.107 1.00 11.41 H new ATOM 0 HB2 LYS A 21 11.474 30.265 -18.288 1.00 51.31 H new ATOM 0 HB3 LYS A 21 13.147 30.775 -18.170 1.00 51.31 H new ATOM 0 HG2 LYS A 21 12.250 33.162 -17.900 1.00 65.20 H new ATOM 0 HG3 LYS A 21 10.668 32.437 -17.694 1.00 65.20 H new ATOM 0 HD2 LYS A 21 11.692 32.750 -15.493 1.00 52.12 H new ATOM 0 HD3 LYS A 21 11.559 31.034 -15.822 1.00 52.12 H new ATOM 0 HE2 LYS A 21 13.944 30.978 -16.553 1.00 12.45 H new ATOM 0 HE3 LYS A 21 14.082 32.700 -16.258 1.00 12.45 H new ATOM 0 HZ1 LYS A 21 14.972 31.425 -14.438 1.00 22.13 H new ATOM 0 HZ2 LYS A 21 13.618 32.309 -13.921 1.00 22.13 H new ATOM 0 HZ3 LYS A 21 13.484 30.641 -14.207 1.00 22.13 H new ATOM 306 N PRO A 22 13.660 30.465 -21.651 1.00 70.32 N ATOM 307 CA PRO A 22 14.342 29.404 -22.368 1.00 41.34 C ATOM 308 C PRO A 22 15.456 28.858 -21.499 1.00 70.34 C ATOM 309 O PRO A 22 16.472 29.536 -21.268 1.00 50.22 O ATOM 310 CB PRO A 22 14.918 30.109 -23.615 1.00 70.43 C ATOM 311 CG PRO A 22 14.371 31.503 -23.575 1.00 40.23 C ATOM 312 CD PRO A 22 14.070 31.783 -22.138 1.00 50.01 C ATOM 0 HA PRO A 22 13.696 28.567 -22.631 1.00 41.34 H new ATOM 0 HB2 PRO A 22 16.008 30.114 -23.595 1.00 70.43 H new ATOM 0 HB3 PRO A 22 14.619 29.596 -24.529 1.00 70.43 H new ATOM 0 HG2 PRO A 22 15.093 32.218 -23.969 1.00 40.23 H new ATOM 0 HG3 PRO A 22 13.472 31.588 -24.186 1.00 40.23 H new ATOM 0 HD2 PRO A 22 14.942 32.162 -21.605 1.00 50.01 H new ATOM 0 HD3 PRO A 22 13.279 32.524 -22.024 1.00 50.01 H new ATOM 320 N GLU A 23 15.298 27.658 -21.043 1.00 22.44 N ATOM 321 CA GLU A 23 16.210 27.070 -20.103 1.00 51.21 C ATOM 322 C GLU A 23 16.654 25.751 -20.672 1.00 20.52 C ATOM 323 O GLU A 23 16.088 25.290 -21.686 1.00 10.34 O ATOM 324 CB GLU A 23 15.461 26.768 -18.799 1.00 53.22 C ATOM 325 CG GLU A 23 14.728 27.941 -18.177 1.00 53.34 C ATOM 326 CD GLU A 23 14.105 27.578 -16.859 1.00 61.54 C ATOM 327 OE1 GLU A 23 13.074 26.859 -16.819 1.00 45.21 O ATOM 328 OE2 GLU A 23 14.658 27.969 -15.812 1.00 22.22 O ATOM 0 H GLU A 23 14.526 27.048 -21.312 1.00 22.44 H new ATOM 0 HA GLU A 23 17.048 27.742 -19.918 1.00 51.21 H new ATOM 0 HB2 GLU A 23 14.740 25.973 -18.991 1.00 53.22 H new ATOM 0 HB3 GLU A 23 16.175 26.382 -18.072 1.00 53.22 H new ATOM 0 HG2 GLU A 23 15.423 28.769 -18.034 1.00 53.34 H new ATOM 0 HG3 GLU A 23 13.954 28.289 -18.861 1.00 53.34 H new ATOM 335 N GLN A 24 17.635 25.142 -20.065 1.00 24.24 N ATOM 336 CA GLN A 24 17.950 23.798 -20.381 1.00 51.20 C ATOM 337 C GLN A 24 17.135 22.970 -19.486 1.00 34.20 C ATOM 338 O GLN A 24 17.153 23.201 -18.275 1.00 5.14 O ATOM 339 CB GLN A 24 19.426 23.447 -20.289 1.00 52.35 C ATOM 340 CG GLN A 24 20.273 24.163 -21.305 1.00 61.35 C ATOM 341 CD GLN A 24 20.809 25.507 -20.845 1.00 50.03 C ATOM 342 OE1 GLN A 24 20.213 26.203 -20.027 1.00 12.52 O ATOM 343 NE2 GLN A 24 21.920 25.892 -21.386 1.00 41.41 N ATOM 0 H GLN A 24 18.225 25.566 -19.349 1.00 24.24 H new ATOM 0 HA GLN A 24 17.723 23.618 -21.432 1.00 51.20 H new ATOM 0 HB2 GLN A 24 19.788 23.688 -19.290 1.00 52.35 H new ATOM 0 HB3 GLN A 24 19.545 22.371 -20.420 1.00 52.35 H new ATOM 0 HG2 GLN A 24 21.114 23.524 -21.573 1.00 61.35 H new ATOM 0 HG3 GLN A 24 19.684 24.312 -22.210 1.00 61.35 H new ATOM 0 HE21 GLN A 24 22.393 25.292 -22.062 1.00 41.41 H new ATOM 0 HE22 GLN A 24 22.323 26.795 -21.136 1.00 41.41 H new ATOM 352 N ARG A 25 16.495 21.990 -19.989 1.00 34.43 N ATOM 353 CA ARG A 25 15.748 21.061 -19.177 1.00 3.24 C ATOM 354 C ARG A 25 16.029 19.741 -19.697 1.00 43.14 C ATOM 355 O ARG A 25 16.685 19.657 -20.706 1.00 42.14 O ATOM 356 CB ARG A 25 14.285 21.330 -19.219 1.00 35.55 C ATOM 357 CG ARG A 25 13.904 22.677 -18.594 1.00 40.25 C ATOM 358 CD ARG A 25 14.411 22.751 -17.194 1.00 24.23 C ATOM 359 NE ARG A 25 14.142 24.013 -16.502 1.00 3.01 N ATOM 360 CZ ARG A 25 14.535 24.256 -15.243 1.00 1.13 C ATOM 361 NH1 ARG A 25 15.426 23.455 -14.647 1.00 44.20 N ATOM 362 NH2 ARG A 25 14.132 25.351 -14.632 1.00 75.04 N ATOM 0 H ARG A 25 16.462 21.790 -20.989 1.00 34.43 H new ATOM 0 HA ARG A 25 16.046 21.157 -18.133 1.00 3.24 H new ATOM 0 HB2 ARG A 25 13.947 21.308 -20.255 1.00 35.55 H new ATOM 0 HB3 ARG A 25 13.759 20.531 -18.695 1.00 35.55 H new ATOM 0 HG2 ARG A 25 14.322 23.492 -19.184 1.00 40.25 H new ATOM 0 HG3 ARG A 25 12.821 22.799 -18.604 1.00 40.25 H new ATOM 0 HD2 ARG A 25 13.967 21.938 -16.620 1.00 24.23 H new ATOM 0 HD3 ARG A 25 15.488 22.583 -17.205 1.00 24.23 H new ATOM 0 HE ARG A 25 13.632 24.742 -17.001 1.00 3.01 H new ATOM 0 HH11 ARG A 25 15.810 22.655 -15.150 1.00 44.20 H new ATOM 0 HH12 ARG A 25 15.722 23.644 -13.689 1.00 44.20 H new ATOM 0 HH21 ARG A 25 13.523 26.011 -15.116 1.00 75.04 H new ATOM 0 HH22 ARG A 25 14.429 25.539 -13.674 1.00 75.04 H new ATOM 376 N ILE A 26 15.526 18.707 -19.098 1.00 54.13 N ATOM 377 CA ILE A 26 16.031 17.431 -19.442 1.00 32.41 C ATOM 378 C ILE A 26 14.860 16.397 -19.519 1.00 41.34 C ATOM 379 O ILE A 26 13.997 16.395 -18.666 1.00 44.24 O ATOM 380 CB ILE A 26 16.984 16.981 -18.297 1.00 44.30 C ATOM 381 CG1 ILE A 26 18.010 18.054 -17.944 1.00 41.23 C ATOM 382 CG2 ILE A 26 17.776 15.834 -18.809 1.00 44.35 C ATOM 383 CD1 ILE A 26 18.628 17.844 -16.592 1.00 45.25 C ATOM 0 H ILE A 26 14.790 18.725 -18.392 1.00 54.13 H new ATOM 0 HA ILE A 26 16.541 17.481 -20.404 1.00 32.41 H new ATOM 0 HB ILE A 26 16.373 16.755 -17.423 1.00 44.30 H new ATOM 0 HG12 ILE A 26 18.795 18.063 -18.700 1.00 41.23 H new ATOM 0 HG13 ILE A 26 17.530 19.032 -17.971 1.00 41.23 H new ATOM 0 HG21 ILE A 26 18.459 15.488 -18.033 1.00 44.35 H new ATOM 0 HG22 ILE A 26 17.103 15.023 -19.088 1.00 44.35 H new ATOM 0 HG23 ILE A 26 18.348 16.148 -19.682 1.00 44.35 H new ATOM 0 HD11 ILE A 26 19.350 18.637 -16.395 1.00 45.25 H new ATOM 0 HD12 ILE A 26 17.850 17.864 -15.829 1.00 45.25 H new ATOM 0 HD13 ILE A 26 19.134 16.879 -16.569 1.00 45.25 H new ATOM 395 N TYR A 27 14.810 15.575 -20.541 1.00 10.54 N ATOM 396 CA TYR A 27 13.634 14.717 -20.777 1.00 3.03 C ATOM 397 C TYR A 27 14.167 13.350 -21.244 1.00 43.12 C ATOM 398 O TYR A 27 15.314 13.256 -21.736 1.00 63.53 O ATOM 399 CB TYR A 27 12.721 15.361 -21.876 1.00 74.21 C ATOM 400 CG TYR A 27 13.295 15.394 -23.274 1.00 21.21 C ATOM 401 CD1 TYR A 27 14.086 16.442 -23.715 1.00 63.11 C ATOM 402 CD2 TYR A 27 13.014 14.361 -24.165 1.00 41.14 C ATOM 403 CE1 TYR A 27 14.585 16.435 -25.016 1.00 3.21 C ATOM 404 CE2 TYR A 27 13.503 14.359 -25.444 1.00 2.32 C ATOM 405 CZ TYR A 27 14.291 15.390 -25.866 1.00 43.40 C ATOM 406 OH TYR A 27 14.772 15.395 -27.160 1.00 34.43 O ATOM 0 H TYR A 27 15.557 15.470 -21.228 1.00 10.54 H new ATOM 0 HA TYR A 27 13.034 14.605 -19.874 1.00 3.03 H new ATOM 0 HB2 TYR A 27 11.778 14.815 -21.904 1.00 74.21 H new ATOM 0 HB3 TYR A 27 12.489 16.383 -21.575 1.00 74.21 H new ATOM 0 HD1 TYR A 27 14.316 17.263 -23.052 1.00 63.11 H new ATOM 0 HD2 TYR A 27 12.394 13.539 -23.838 1.00 41.14 H new ATOM 0 HE1 TYR A 27 15.204 17.251 -25.360 1.00 3.21 H new ATOM 0 HE2 TYR A 27 13.266 13.546 -26.115 1.00 2.32 H new ATOM 0 HH TYR A 27 14.473 14.585 -27.623 1.00 34.43 H new ATOM 416 N TYR A 28 13.380 12.270 -21.054 1.00 11.31 N ATOM 417 CA TYR A 28 13.789 10.938 -21.463 1.00 45.51 C ATOM 418 C TYR A 28 13.530 10.776 -22.933 1.00 30.25 C ATOM 419 O TYR A 28 12.526 11.215 -23.472 1.00 71.54 O ATOM 420 CB TYR A 28 13.066 9.810 -20.679 1.00 61.50 C ATOM 421 CG TYR A 28 13.338 8.378 -21.144 1.00 51.03 C ATOM 422 CD1 TYR A 28 14.534 7.747 -20.931 1.00 22.43 C ATOM 423 CD2 TYR A 28 12.333 7.649 -21.690 1.00 60.30 C ATOM 424 CE1 TYR A 28 14.692 6.413 -21.234 1.00 72.31 C ATOM 425 CE2 TYR A 28 12.479 6.342 -22.022 1.00 44.43 C ATOM 426 CZ TYR A 28 13.648 5.721 -21.781 1.00 43.24 C ATOM 427 OH TYR A 28 13.770 4.387 -22.059 1.00 43.33 O ATOM 0 H TYR A 28 12.459 12.310 -20.618 1.00 11.31 H new ATOM 0 HA TYR A 28 14.852 10.842 -21.241 1.00 45.51 H new ATOM 0 HB2 TYR A 28 13.349 9.888 -19.629 1.00 61.50 H new ATOM 0 HB3 TYR A 28 11.992 9.989 -20.734 1.00 61.50 H new ATOM 0 HD1 TYR A 28 15.364 8.302 -20.520 1.00 22.43 H new ATOM 0 HD2 TYR A 28 11.381 8.127 -21.867 1.00 60.30 H new ATOM 0 HE1 TYR A 28 15.632 5.918 -21.041 1.00 72.31 H new ATOM 0 HE2 TYR A 28 11.661 5.803 -22.477 1.00 44.43 H new ATOM 0 HH TYR A 28 12.882 4.002 -22.213 1.00 43.33 H new ATOM 437 N ASN A 29 14.476 10.227 -23.534 1.00 70.14 N ATOM 438 CA ASN A 29 14.375 9.915 -24.934 1.00 12.14 C ATOM 439 C ASN A 29 13.616 8.647 -25.080 1.00 54.54 C ATOM 440 O ASN A 29 13.859 7.679 -24.394 1.00 53.13 O ATOM 441 CB ASN A 29 15.734 9.737 -25.501 1.00 22.02 C ATOM 442 CG ASN A 29 16.523 11.005 -25.495 1.00 5.32 C ATOM 443 OD1 ASN A 29 16.578 11.710 -26.484 1.00 43.22 O ATOM 444 ND2 ASN A 29 17.078 11.341 -24.391 1.00 53.43 N ATOM 0 H ASN A 29 15.361 9.966 -23.099 1.00 70.14 H new ATOM 0 HA ASN A 29 13.867 10.723 -25.461 1.00 12.14 H new ATOM 0 HB2 ASN A 29 16.267 8.978 -24.929 1.00 22.02 H new ATOM 0 HB3 ASN A 29 15.653 9.367 -26.523 1.00 22.02 H new ATOM 0 HD21 ASN A 29 17.585 12.223 -24.323 1.00 53.43 H new ATOM 0 HD22 ASN A 29 17.013 10.726 -23.580 1.00 53.43 H new ATOM 451 N SER A 30 12.812 8.650 -26.128 1.00 11.00 N ATOM 452 CA SER A 30 11.788 7.609 -26.346 1.00 65.34 C ATOM 453 C SER A 30 12.577 6.410 -26.951 1.00 4.34 C ATOM 454 O SER A 30 12.593 5.289 -26.430 1.00 12.30 O ATOM 455 CB SER A 30 10.810 8.122 -27.420 1.00 31.24 C ATOM 456 OG SER A 30 10.265 9.379 -27.068 1.00 2.02 O ATOM 0 H SER A 30 12.839 9.364 -26.856 1.00 11.00 H new ATOM 0 HA SER A 30 11.242 7.350 -25.439 1.00 65.34 H new ATOM 0 HB2 SER A 30 11.328 8.204 -28.376 1.00 31.24 H new ATOM 0 HB3 SER A 30 10.005 7.400 -27.555 1.00 31.24 H new ATOM 0 HG SER A 30 9.435 9.246 -26.564 1.00 2.02 H new ATOM 462 N ALA A 31 13.190 6.726 -28.105 1.00 3.42 N ATOM 463 CA ALA A 31 14.109 5.793 -28.789 1.00 4.04 C ATOM 464 C ALA A 31 15.312 5.414 -27.889 1.00 42.14 C ATOM 465 O ALA A 31 15.465 4.277 -27.461 1.00 42.33 O ATOM 466 CB ALA A 31 14.607 6.388 -30.093 1.00 72.42 C ATOM 0 H ALA A 31 13.068 7.618 -28.585 1.00 3.42 H new ATOM 0 HA ALA A 31 13.546 4.885 -29.004 1.00 4.04 H new ATOM 0 HB1 ALA A 31 15.282 5.684 -30.580 1.00 72.42 H new ATOM 0 HB2 ALA A 31 13.759 6.590 -30.748 1.00 72.42 H new ATOM 0 HB3 ALA A 31 15.138 7.318 -29.889 1.00 72.42 H new ATOM 472 N LYS A 32 16.146 6.422 -27.615 1.00 74.43 N ATOM 473 CA LYS A 32 17.577 6.313 -27.196 1.00 14.25 C ATOM 474 C LYS A 32 17.840 5.916 -25.755 1.00 53.31 C ATOM 475 O LYS A 32 18.959 5.594 -25.345 1.00 51.50 O ATOM 476 CB LYS A 32 18.192 7.694 -27.319 1.00 30.52 C ATOM 477 CG LYS A 32 18.030 8.348 -28.649 1.00 52.24 C ATOM 478 CD LYS A 32 18.705 9.692 -28.638 1.00 53.32 C ATOM 479 CE LYS A 32 18.564 10.409 -29.964 1.00 3.21 C ATOM 480 NZ LYS A 32 19.116 11.777 -29.905 1.00 65.41 N ATOM 0 H LYS A 32 15.841 7.393 -27.678 1.00 74.43 H new ATOM 0 HA LYS A 32 17.987 5.530 -27.834 1.00 14.25 H new ATOM 0 HB2 LYS A 32 17.751 8.339 -26.559 1.00 30.52 H new ATOM 0 HB3 LYS A 32 19.256 7.621 -27.096 1.00 30.52 H new ATOM 0 HG2 LYS A 32 18.461 7.720 -29.429 1.00 52.24 H new ATOM 0 HG3 LYS A 32 16.971 8.464 -28.882 1.00 52.24 H new ATOM 0 HD2 LYS A 32 18.276 10.306 -27.846 1.00 53.32 H new ATOM 0 HD3 LYS A 32 19.762 9.565 -28.405 1.00 53.32 H new ATOM 0 HE2 LYS A 32 19.077 9.842 -30.741 1.00 3.21 H new ATOM 0 HE3 LYS A 32 17.512 10.453 -30.244 1.00 3.21 H new ATOM 0 HZ1 LYS A 32 19.002 12.238 -30.830 1.00 65.41 H new ATOM 0 HZ2 LYS A 32 18.609 12.325 -29.181 1.00 65.41 H new ATOM 0 HZ3 LYS A 32 20.126 11.734 -29.662 1.00 65.41 H new ATOM 494 N LYS A 33 16.744 5.957 -25.047 1.00 43.11 N ATOM 495 CA LYS A 33 16.704 5.620 -23.625 1.00 62.24 C ATOM 496 C LYS A 33 17.706 6.449 -22.828 1.00 11.34 C ATOM 497 O LYS A 33 18.344 5.975 -21.893 1.00 70.11 O ATOM 498 CB LYS A 33 16.944 4.128 -23.399 1.00 31.04 C ATOM 499 CG LYS A 33 15.910 3.302 -24.084 1.00 71.41 C ATOM 500 CD LYS A 33 15.613 2.051 -23.346 1.00 33.34 C ATOM 501 CE LYS A 33 14.266 1.604 -23.786 1.00 42.32 C ATOM 502 NZ LYS A 33 13.782 0.428 -23.056 1.00 5.51 N ATOM 0 H LYS A 33 15.839 6.226 -25.432 1.00 43.11 H new ATOM 0 HA LYS A 33 15.704 5.861 -23.266 1.00 62.24 H new ATOM 0 HB2 LYS A 33 17.933 3.857 -23.769 1.00 31.04 H new ATOM 0 HB3 LYS A 33 16.934 3.914 -22.330 1.00 31.04 H new ATOM 0 HG2 LYS A 33 14.995 3.884 -24.191 1.00 71.41 H new ATOM 0 HG3 LYS A 33 16.251 3.056 -25.090 1.00 71.41 H new ATOM 0 HD2 LYS A 33 16.362 1.289 -23.559 1.00 33.34 H new ATOM 0 HD3 LYS A 33 15.631 2.223 -22.270 1.00 33.34 H new ATOM 0 HE2 LYS A 33 13.558 2.422 -23.655 1.00 42.32 H new ATOM 0 HE3 LYS A 33 14.296 1.376 -24.851 1.00 42.32 H new ATOM 0 HZ1 LYS A 33 12.839 0.165 -23.408 1.00 5.51 H new ATOM 0 HZ2 LYS A 33 14.439 -0.365 -23.201 1.00 5.51 H new ATOM 0 HZ3 LYS A 33 13.724 0.649 -22.041 1.00 5.51 H new ATOM 516 N GLN A 34 17.811 7.692 -23.198 1.00 1.02 N ATOM 517 CA GLN A 34 18.763 8.603 -22.613 1.00 61.15 C ATOM 518 C GLN A 34 18.009 9.722 -21.950 1.00 30.21 C ATOM 519 O GLN A 34 16.780 9.806 -22.073 1.00 44.04 O ATOM 520 CB GLN A 34 19.648 9.205 -23.697 1.00 14.14 C ATOM 521 CG GLN A 34 20.513 8.236 -24.465 1.00 74.43 C ATOM 522 CD GLN A 34 21.311 8.948 -25.532 1.00 51.14 C ATOM 523 OE1 GLN A 34 21.678 10.124 -25.371 1.00 44.13 O ATOM 524 NE2 GLN A 34 21.559 8.282 -26.628 1.00 61.24 N ATOM 0 H GLN A 34 17.231 8.112 -23.925 1.00 1.02 H new ATOM 0 HA GLN A 34 19.380 8.064 -21.894 1.00 61.15 H new ATOM 0 HB2 GLN A 34 19.010 9.732 -24.407 1.00 14.14 H new ATOM 0 HB3 GLN A 34 20.295 9.951 -23.236 1.00 14.14 H new ATOM 0 HG2 GLN A 34 21.190 7.726 -23.780 1.00 74.43 H new ATOM 0 HG3 GLN A 34 19.888 7.470 -24.924 1.00 74.43 H new ATOM 0 HE21 GLN A 34 21.241 7.317 -26.722 1.00 61.24 H new ATOM 0 HE22 GLN A 34 22.071 8.726 -27.390 1.00 61.24 H new ATOM 533 N CYS A 35 18.744 10.668 -21.425 1.00 54.55 N ATOM 534 CA CYS A 35 18.078 11.747 -20.734 1.00 12.22 C ATOM 535 C CYS A 35 18.780 12.909 -21.276 1.00 22.34 C ATOM 536 O CYS A 35 19.888 13.227 -20.820 1.00 41.24 O ATOM 537 CB CYS A 35 18.303 11.678 -19.198 1.00 52.40 C ATOM 538 SG CYS A 35 17.311 12.896 -18.241 1.00 61.03 S ATOM 0 H CYS A 35 19.762 10.718 -21.457 1.00 54.55 H new ATOM 0 HA CYS A 35 16.997 11.744 -20.873 1.00 12.22 H new ATOM 0 HB2 CYS A 35 18.060 10.674 -18.850 1.00 52.40 H new ATOM 0 HB3 CYS A 35 19.360 11.841 -18.988 1.00 52.40 H new ATOM 543 N VAL A 36 18.233 13.575 -22.237 1.00 21.33 N ATOM 544 CA VAL A 36 18.891 14.616 -22.906 1.00 20.22 C ATOM 545 C VAL A 36 18.161 15.882 -22.599 1.00 34.52 C ATOM 546 O VAL A 36 17.043 15.851 -22.086 1.00 14.11 O ATOM 547 CB VAL A 36 18.877 14.428 -24.474 1.00 14.34 C ATOM 548 CG1 VAL A 36 19.462 13.110 -24.923 1.00 2.43 C ATOM 549 CG2 VAL A 36 17.475 14.536 -25.017 1.00 2.13 C ATOM 0 H VAL A 36 17.289 13.395 -22.579 1.00 21.33 H new ATOM 0 HA VAL A 36 19.929 14.631 -22.573 1.00 20.22 H new ATOM 0 HB VAL A 36 19.504 15.228 -24.868 1.00 14.34 H new ATOM 0 HG11 VAL A 36 19.422 13.046 -26.010 1.00 2.43 H new ATOM 0 HG12 VAL A 36 20.499 13.041 -24.594 1.00 2.43 H new ATOM 0 HG13 VAL A 36 18.888 12.291 -24.489 1.00 2.43 H new ATOM 0 HG21 VAL A 36 17.493 14.403 -26.099 1.00 2.13 H new ATOM 0 HG22 VAL A 36 16.850 13.765 -24.567 1.00 2.13 H new ATOM 0 HG23 VAL A 36 17.067 15.518 -24.779 1.00 2.13 H new ATOM 559 N THR A 37 18.777 16.954 -22.867 1.00 15.02 N ATOM 560 CA THR A 37 18.189 18.207 -22.642 1.00 73.11 C ATOM 561 C THR A 37 17.306 18.687 -23.793 1.00 53.52 C ATOM 562 O THR A 37 17.430 18.229 -24.938 1.00 12.14 O ATOM 563 CB THR A 37 19.268 19.256 -22.283 1.00 45.50 C ATOM 564 OG1 THR A 37 20.307 19.284 -23.285 1.00 51.52 O ATOM 565 CG2 THR A 37 19.867 18.959 -20.927 1.00 11.42 C ATOM 0 H THR A 37 19.719 16.991 -23.255 1.00 15.02 H new ATOM 0 HA THR A 37 17.517 18.084 -21.792 1.00 73.11 H new ATOM 0 HB THR A 37 18.789 20.235 -22.250 1.00 45.50 H new ATOM 0 HG1 THR A 37 20.979 19.955 -23.041 1.00 51.52 H new ATOM 0 HG21 THR A 37 20.624 19.707 -20.692 1.00 11.42 H new ATOM 0 HG22 THR A 37 19.084 18.985 -20.170 1.00 11.42 H new ATOM 0 HG23 THR A 37 20.326 17.971 -20.941 1.00 11.42 H new ATOM 573 N PHE A 38 16.444 19.629 -23.464 1.00 61.35 N ATOM 574 CA PHE A 38 15.578 20.211 -24.405 1.00 61.41 C ATOM 575 C PHE A 38 15.435 21.632 -24.062 1.00 23.00 C ATOM 576 O PHE A 38 15.725 22.064 -22.924 1.00 72.23 O ATOM 577 CB PHE A 38 14.186 19.624 -24.441 1.00 31.10 C ATOM 578 CG PHE A 38 13.266 19.835 -23.287 1.00 4.23 C ATOM 579 CD1 PHE A 38 13.343 19.135 -22.109 1.00 31.54 C ATOM 580 CD2 PHE A 38 12.258 20.748 -23.456 1.00 22.55 C ATOM 581 CE1 PHE A 38 12.416 19.362 -21.118 1.00 61.32 C ATOM 582 CE2 PHE A 38 11.343 20.996 -22.502 1.00 44.33 C ATOM 583 CZ PHE A 38 11.411 20.303 -21.314 1.00 2.25 C ATOM 0 H PHE A 38 16.343 19.999 -22.519 1.00 61.35 H new ATOM 0 HA PHE A 38 16.025 20.028 -25.382 1.00 61.41 H new ATOM 0 HB2 PHE A 38 13.690 20.016 -25.329 1.00 31.10 H new ATOM 0 HB3 PHE A 38 14.290 18.548 -24.583 1.00 31.10 H new ATOM 0 HD1 PHE A 38 14.128 18.409 -21.960 1.00 31.54 H new ATOM 0 HD2 PHE A 38 12.196 21.288 -24.389 1.00 22.55 H new ATOM 0 HE1 PHE A 38 12.469 18.811 -20.191 1.00 61.32 H new ATOM 0 HE2 PHE A 38 10.566 21.728 -22.665 1.00 44.33 H new ATOM 0 HZ PHE A 38 10.685 20.490 -20.536 1.00 2.25 H new ATOM 593 N THR A 39 15.003 22.335 -25.015 1.00 52.42 N ATOM 594 CA THR A 39 14.760 23.718 -24.926 1.00 51.04 C ATOM 595 C THR A 39 13.400 23.903 -24.242 1.00 41.13 C ATOM 596 O THR A 39 12.346 23.634 -24.824 1.00 63.34 O ATOM 597 CB THR A 39 14.642 24.253 -26.347 1.00 45.23 C ATOM 598 OG1 THR A 39 15.826 23.870 -27.102 1.00 23.42 O ATOM 599 CG2 THR A 39 14.489 25.772 -26.368 1.00 11.34 C ATOM 0 H THR A 39 14.794 21.948 -25.935 1.00 52.42 H new ATOM 0 HA THR A 39 15.551 24.228 -24.376 1.00 51.04 H new ATOM 0 HB THR A 39 13.748 23.823 -26.800 1.00 45.23 H new ATOM 0 HG1 THR A 39 15.754 24.211 -28.018 1.00 23.42 H new ATOM 0 HG21 THR A 39 14.408 26.115 -27.399 1.00 11.34 H new ATOM 0 HG22 THR A 39 13.590 26.055 -25.820 1.00 11.34 H new ATOM 0 HG23 THR A 39 15.359 26.232 -25.900 1.00 11.34 H new ATOM 607 N TYR A 40 13.449 24.308 -23.015 1.00 43.51 N ATOM 608 CA TYR A 40 12.214 24.508 -22.313 1.00 33.42 C ATOM 609 C TYR A 40 11.963 25.945 -22.155 1.00 41.14 C ATOM 610 O TYR A 40 12.715 26.611 -21.480 1.00 43.40 O ATOM 611 CB TYR A 40 12.252 23.797 -20.968 1.00 3.35 C ATOM 612 CG TYR A 40 11.065 23.986 -20.001 1.00 22.30 C ATOM 613 CD1 TYR A 40 11.056 25.059 -19.113 1.00 33.21 C ATOM 614 CD2 TYR A 40 9.986 23.076 -19.938 1.00 2.52 C ATOM 615 CE1 TYR A 40 10.036 25.238 -18.212 1.00 53.10 C ATOM 616 CE2 TYR A 40 8.960 23.268 -19.033 1.00 13.32 C ATOM 617 CZ TYR A 40 8.992 24.349 -18.176 1.00 63.32 C ATOM 618 OH TYR A 40 7.972 24.537 -17.273 1.00 53.00 O ATOM 0 H TYR A 40 14.300 24.503 -22.487 1.00 43.51 H new ATOM 0 HA TYR A 40 11.394 24.080 -22.889 1.00 33.42 H new ATOM 0 HB2 TYR A 40 12.356 22.729 -21.161 1.00 3.35 H new ATOM 0 HB3 TYR A 40 13.156 24.117 -20.450 1.00 3.35 H new ATOM 0 HD1 TYR A 40 11.871 25.767 -19.134 1.00 33.21 H new ATOM 0 HD2 TYR A 40 9.963 22.224 -20.602 1.00 2.52 H new ATOM 0 HE1 TYR A 40 10.055 26.077 -17.533 1.00 53.10 H new ATOM 0 HE2 TYR A 40 8.134 22.573 -18.996 1.00 13.32 H new ATOM 0 HH TYR A 40 7.309 23.823 -17.375 1.00 53.00 H new ATOM 628 N ASN A 41 10.988 26.441 -22.863 1.00 54.31 N ATOM 629 CA ASN A 41 10.664 27.829 -22.797 1.00 3.33 C ATOM 630 C ASN A 41 9.672 28.063 -21.702 1.00 41.40 C ATOM 631 O ASN A 41 9.550 29.188 -21.214 1.00 34.12 O ATOM 632 CB ASN A 41 10.135 28.359 -24.112 1.00 63.33 C ATOM 633 CG ASN A 41 11.119 28.309 -25.260 1.00 50.21 C ATOM 634 OD1 ASN A 41 12.318 28.423 -25.074 1.00 52.43 O ATOM 635 ND2 ASN A 41 10.607 28.144 -26.458 1.00 52.41 N ATOM 0 H ASN A 41 10.402 25.896 -23.496 1.00 54.31 H new ATOM 0 HA ASN A 41 11.583 28.374 -22.583 1.00 3.33 H new ATOM 0 HB2 ASN A 41 9.248 27.788 -24.387 1.00 63.33 H new ATOM 0 HB3 ASN A 41 9.817 29.392 -23.969 1.00 63.33 H new ATOM 0 HD21 ASN A 41 11.219 28.107 -27.273 1.00 52.41 H new ATOM 0 HD22 ASN A 41 9.598 28.052 -26.573 1.00 52.41 H new ATOM 642 N GLY A 42 8.888 27.029 -21.360 1.00 2.24 N ATOM 643 CA GLY A 42 8.122 27.150 -20.160 1.00 14.24 C ATOM 644 C GLY A 42 6.664 27.470 -20.300 1.00 52.12 C ATOM 645 O GLY A 42 6.063 27.918 -19.323 1.00 60.21 O ATOM 0 H GLY A 42 8.784 26.156 -21.878 1.00 2.24 H new ATOM 0 HA2 GLY A 42 8.210 26.214 -19.609 1.00 14.24 H new ATOM 0 HA3 GLY A 42 8.579 27.926 -19.546 1.00 14.24 H new ATOM 649 N LYS A 43 6.043 27.299 -21.439 1.00 75.24 N ATOM 650 CA LYS A 43 4.725 27.808 -21.730 1.00 22.43 C ATOM 651 C LYS A 43 3.647 26.711 -22.045 1.00 72.13 C ATOM 652 O LYS A 43 3.517 25.659 -21.404 1.00 70.52 O ATOM 653 CB LYS A 43 4.941 28.568 -23.074 1.00 73.21 C ATOM 654 CG LYS A 43 5.848 29.766 -23.076 1.00 73.25 C ATOM 655 CD LYS A 43 5.117 31.015 -22.694 1.00 73.52 C ATOM 656 CE LYS A 43 3.964 31.276 -23.624 1.00 2.11 C ATOM 657 NZ LYS A 43 3.247 32.521 -23.305 1.00 64.15 N ATOM 0 H LYS A 43 6.455 26.784 -22.217 1.00 75.24 H new ATOM 0 HA LYS A 43 4.360 28.371 -20.871 1.00 22.43 H new ATOM 0 HB2 LYS A 43 5.330 27.855 -23.801 1.00 73.21 H new ATOM 0 HB3 LYS A 43 3.964 28.890 -23.435 1.00 73.21 H new ATOM 0 HG2 LYS A 43 6.672 29.600 -22.382 1.00 73.25 H new ATOM 0 HG3 LYS A 43 6.286 29.889 -24.067 1.00 73.25 H new ATOM 0 HD2 LYS A 43 4.750 30.927 -21.671 1.00 73.52 H new ATOM 0 HD3 LYS A 43 5.803 31.862 -22.714 1.00 73.52 H new ATOM 0 HE2 LYS A 43 4.333 31.327 -24.648 1.00 2.11 H new ATOM 0 HE3 LYS A 43 3.268 30.439 -23.577 1.00 2.11 H new ATOM 0 HZ1 LYS A 43 2.463 32.652 -23.976 1.00 64.15 H new ATOM 0 HZ2 LYS A 43 2.869 32.466 -22.338 1.00 64.15 H new ATOM 0 HZ3 LYS A 43 3.901 33.326 -23.376 1.00 64.15 H new ATOM 671 N GLY A 44 2.897 27.147 -23.044 1.00 63.11 N ATOM 672 CA GLY A 44 1.951 26.216 -23.652 1.00 43.54 C ATOM 673 C GLY A 44 2.487 24.880 -24.105 1.00 44.45 C ATOM 674 O GLY A 44 3.681 24.716 -24.407 1.00 34.43 O ATOM 0 H GLY A 44 2.916 28.088 -23.438 1.00 63.11 H new ATOM 0 HA2 GLY A 44 1.151 26.033 -22.935 1.00 43.54 H new ATOM 0 HA3 GLY A 44 1.500 26.708 -24.514 1.00 43.54 H new ATOM 678 N GLY A 45 1.574 23.943 -24.134 1.00 52.24 N ATOM 679 CA GLY A 45 1.863 22.654 -24.656 1.00 65.42 C ATOM 680 C GLY A 45 2.445 21.723 -23.618 1.00 42.22 C ATOM 681 O GLY A 45 2.369 21.992 -22.411 1.00 74.43 O ATOM 0 H GLY A 45 0.619 24.062 -23.796 1.00 52.24 H new ATOM 0 HA2 GLY A 45 0.950 22.217 -25.060 1.00 65.42 H new ATOM 0 HA3 GLY A 45 2.564 22.751 -25.485 1.00 65.42 H new ATOM 685 N ASN A 46 2.973 20.597 -24.100 1.00 34.42 N ATOM 686 CA ASN A 46 3.524 19.656 -23.106 1.00 44.31 C ATOM 687 C ASN A 46 4.730 20.120 -22.340 1.00 32.32 C ATOM 688 O ASN A 46 5.697 20.675 -22.844 1.00 52.45 O ATOM 689 CB ASN A 46 3.814 18.249 -23.669 1.00 41.33 C ATOM 690 CG ASN A 46 2.597 17.521 -24.197 1.00 62.35 C ATOM 691 OD1 ASN A 46 1.862 16.864 -23.451 1.00 70.44 O ATOM 692 ND2 ASN A 46 2.407 17.573 -25.479 1.00 41.42 N ATOM 0 H ASN A 46 3.034 20.323 -25.081 1.00 34.42 H new ATOM 0 HA ASN A 46 2.697 19.609 -22.398 1.00 44.31 H new ATOM 0 HB2 ASN A 46 4.546 18.337 -24.472 1.00 41.33 H new ATOM 0 HB3 ASN A 46 4.271 17.645 -22.885 1.00 41.33 H new ATOM 0 HD21 ASN A 46 1.632 17.062 -25.901 1.00 41.42 H new ATOM 0 HD22 ASN A 46 3.033 18.125 -26.065 1.00 41.42 H new ATOM 699 N GLY A 47 4.628 19.743 -21.099 1.00 50.34 N ATOM 700 CA GLY A 47 5.614 20.079 -20.131 1.00 14.04 C ATOM 701 C GLY A 47 6.384 18.904 -19.691 1.00 55.25 C ATOM 702 O GLY A 47 6.663 18.741 -18.485 1.00 63.11 O ATOM 0 H GLY A 47 3.852 19.191 -20.734 1.00 50.34 H new ATOM 0 HA2 GLY A 47 6.294 20.821 -20.550 1.00 14.04 H new ATOM 0 HA3 GLY A 47 5.132 20.539 -19.268 1.00 14.04 H new ATOM 706 N ASN A 48 6.673 18.033 -20.633 1.00 24.22 N ATOM 707 CA ASN A 48 7.547 16.920 -20.365 1.00 62.53 C ATOM 708 C ASN A 48 8.922 17.475 -20.154 1.00 52.23 C ATOM 709 O ASN A 48 9.640 17.770 -21.100 1.00 13.34 O ATOM 710 CB ASN A 48 7.575 15.903 -21.489 1.00 2.42 C ATOM 711 CG ASN A 48 8.484 14.753 -21.120 1.00 51.01 C ATOM 712 OD1 ASN A 48 8.634 14.424 -19.949 1.00 71.14 O ATOM 713 ND2 ASN A 48 9.098 14.149 -22.084 1.00 11.24 N ATOM 0 H ASN A 48 6.315 18.076 -21.587 1.00 24.22 H new ATOM 0 HA ASN A 48 7.178 16.392 -19.486 1.00 62.53 H new ATOM 0 HB2 ASN A 48 6.568 15.534 -21.682 1.00 2.42 H new ATOM 0 HB3 ASN A 48 7.924 16.373 -22.408 1.00 2.42 H new ATOM 0 HD21 ASN A 48 9.729 13.374 -21.880 1.00 11.24 H new ATOM 0 HD22 ASN A 48 8.951 14.447 -23.048 1.00 11.24 H new ATOM 720 N ASN A 49 9.244 17.639 -18.925 1.00 14.02 N ATOM 721 CA ASN A 49 10.380 18.285 -18.406 1.00 55.44 C ATOM 722 C ASN A 49 10.762 17.644 -17.102 1.00 54.34 C ATOM 723 O ASN A 49 9.913 17.525 -16.206 1.00 30.45 O ATOM 724 CB ASN A 49 9.951 19.723 -18.118 1.00 73.33 C ATOM 725 CG ASN A 49 10.956 20.547 -17.361 1.00 15.23 C ATOM 726 OD1 ASN A 49 12.143 20.341 -17.438 1.00 24.42 O ATOM 727 ND2 ASN A 49 10.451 21.481 -16.598 1.00 53.55 N ATOM 0 H ASN A 49 8.647 17.282 -18.179 1.00 14.02 H new ATOM 0 HA ASN A 49 11.220 18.230 -19.098 1.00 55.44 H new ATOM 0 HB2 ASN A 49 9.737 20.219 -19.065 1.00 73.33 H new ATOM 0 HB3 ASN A 49 9.020 19.702 -17.551 1.00 73.33 H new ATOM 0 HD21 ASN A 49 11.067 22.070 -16.038 1.00 53.55 H new ATOM 0 HD22 ASN A 49 9.441 21.621 -16.563 1.00 53.55 H new ATOM 734 N PHE A 50 11.979 17.191 -16.995 1.00 24.10 N ATOM 735 CA PHE A 50 12.525 16.779 -15.731 1.00 74.42 C ATOM 736 C PHE A 50 13.673 17.754 -15.525 1.00 41.13 C ATOM 737 O PHE A 50 14.429 17.996 -16.451 1.00 41.01 O ATOM 738 CB PHE A 50 12.979 15.248 -15.732 1.00 3.33 C ATOM 739 CG PHE A 50 11.874 14.333 -16.154 1.00 11.03 C ATOM 740 CD1 PHE A 50 10.851 14.010 -15.283 1.00 0.52 C ATOM 741 CD2 PHE A 50 11.851 13.810 -17.437 1.00 53.32 C ATOM 742 CE1 PHE A 50 9.824 13.184 -15.684 1.00 73.14 C ATOM 743 CE2 PHE A 50 10.831 12.981 -17.842 1.00 3.54 C ATOM 744 CZ PHE A 50 9.815 12.669 -16.965 1.00 53.01 C ATOM 0 H PHE A 50 12.622 17.097 -17.781 1.00 24.10 H new ATOM 0 HA PHE A 50 11.803 16.813 -14.915 1.00 74.42 H new ATOM 0 HB2 PHE A 50 13.829 15.123 -16.403 1.00 3.33 H new ATOM 0 HB3 PHE A 50 13.318 14.970 -14.734 1.00 3.33 H new ATOM 0 HD1 PHE A 50 10.857 14.409 -14.279 1.00 0.52 H new ATOM 0 HD2 PHE A 50 12.644 14.056 -18.128 1.00 53.32 H new ATOM 0 HE1 PHE A 50 9.027 12.940 -14.997 1.00 73.14 H new ATOM 0 HE2 PHE A 50 10.826 12.576 -18.843 1.00 3.54 H new ATOM 0 HZ PHE A 50 9.011 12.021 -17.280 1.00 53.01 H new ATOM 754 N SER A 51 13.817 18.341 -14.376 1.00 62.11 N ATOM 755 CA SER A 51 14.803 19.386 -14.181 1.00 23.32 C ATOM 756 C SER A 51 15.923 18.929 -13.292 1.00 70.40 C ATOM 757 O SER A 51 16.848 19.685 -12.987 1.00 73.11 O ATOM 758 CB SER A 51 14.117 20.630 -13.603 1.00 61.12 C ATOM 759 OG SER A 51 13.405 20.345 -12.379 1.00 44.14 O ATOM 0 H SER A 51 13.265 18.119 -13.547 1.00 62.11 H new ATOM 0 HA SER A 51 15.244 19.634 -15.147 1.00 23.32 H new ATOM 0 HB2 SER A 51 14.865 21.400 -13.415 1.00 61.12 H new ATOM 0 HB3 SER A 51 13.422 21.034 -14.339 1.00 61.12 H new ATOM 0 HG SER A 51 12.985 21.166 -12.046 1.00 44.14 H new ATOM 765 N ARG A 52 15.866 17.707 -12.884 1.00 62.02 N ATOM 766 CA ARG A 52 16.865 17.143 -12.048 1.00 23.03 C ATOM 767 C ARG A 52 17.256 15.865 -12.728 1.00 73.20 C ATOM 768 O ARG A 52 16.386 15.062 -13.118 1.00 53.42 O ATOM 769 CB ARG A 52 16.296 16.837 -10.656 1.00 13.13 C ATOM 770 CG ARG A 52 15.737 18.038 -9.906 1.00 2.40 C ATOM 771 CD ARG A 52 16.789 19.108 -9.671 1.00 61.34 C ATOM 772 NE ARG A 52 16.227 20.287 -9.002 1.00 1.43 N ATOM 773 CZ ARG A 52 16.912 21.397 -8.687 1.00 13.35 C ATOM 774 NH1 ARG A 52 18.175 21.542 -9.082 1.00 70.14 N ATOM 775 NH2 ARG A 52 16.311 22.369 -8.017 1.00 24.43 N ATOM 0 H ARG A 52 15.112 17.064 -13.127 1.00 62.02 H new ATOM 0 HA ARG A 52 17.707 17.820 -11.908 1.00 23.03 H new ATOM 0 HB2 ARG A 52 15.506 16.093 -10.760 1.00 13.13 H new ATOM 0 HB3 ARG A 52 17.082 16.385 -10.051 1.00 13.13 H new ATOM 0 HG2 ARG A 52 14.908 18.464 -10.472 1.00 2.40 H new ATOM 0 HG3 ARG A 52 15.334 17.710 -8.948 1.00 2.40 H new ATOM 0 HD2 ARG A 52 17.597 18.697 -9.065 1.00 61.34 H new ATOM 0 HD3 ARG A 52 17.225 19.405 -10.625 1.00 61.34 H new ATOM 0 HE ARG A 52 15.237 20.261 -8.757 1.00 1.43 H new ATOM 0 HH11 ARG A 52 18.627 20.807 -9.627 1.00 70.14 H new ATOM 0 HH12 ARG A 52 18.691 22.388 -8.840 1.00 70.14 H new ATOM 0 HH21 ARG A 52 15.333 22.271 -7.744 1.00 24.43 H new ATOM 0 HH22 ARG A 52 16.826 23.215 -7.774 1.00 24.43 H new ATOM 789 N THR A 53 18.542 15.704 -12.902 1.00 63.53 N ATOM 790 CA THR A 53 19.133 14.571 -13.574 1.00 52.24 C ATOM 791 C THR A 53 18.751 13.274 -12.840 1.00 15.13 C ATOM 792 O THR A 53 18.418 12.276 -13.456 1.00 64.30 O ATOM 793 CB THR A 53 20.671 14.744 -13.613 1.00 24.03 C ATOM 794 OG1 THR A 53 20.985 16.031 -14.205 1.00 52.23 O ATOM 795 CG2 THR A 53 21.322 13.651 -14.449 1.00 72.23 C ATOM 0 H THR A 53 19.231 16.379 -12.570 1.00 63.53 H new ATOM 0 HA THR A 53 18.759 14.511 -14.596 1.00 52.24 H new ATOM 0 HB THR A 53 21.053 14.681 -12.594 1.00 24.03 H new ATOM 0 HG1 THR A 53 21.957 16.150 -14.232 1.00 52.23 H new ATOM 0 HG21 THR A 53 22.402 13.796 -14.460 1.00 72.23 H new ATOM 0 HG22 THR A 53 21.091 12.677 -14.018 1.00 72.23 H new ATOM 0 HG23 THR A 53 20.940 13.696 -15.469 1.00 72.23 H new ATOM 803 N ASN A 54 18.724 13.339 -11.518 1.00 20.04 N ATOM 804 CA ASN A 54 18.319 12.203 -10.688 1.00 34.41 C ATOM 805 C ASN A 54 16.845 11.921 -10.840 1.00 31.30 C ATOM 806 O ASN A 54 16.415 10.785 -10.698 1.00 21.44 O ATOM 807 CB ASN A 54 18.631 12.430 -9.197 1.00 5.42 C ATOM 808 CG ASN A 54 20.107 12.515 -8.894 1.00 62.51 C ATOM 809 OD1 ASN A 54 20.924 11.896 -9.565 1.00 3.34 O ATOM 810 ND2 ASN A 54 20.459 13.263 -7.882 1.00 73.30 N ATOM 0 H ASN A 54 18.979 14.172 -10.988 1.00 20.04 H new ATOM 0 HA ASN A 54 18.897 11.348 -11.037 1.00 34.41 H new ATOM 0 HB2 ASN A 54 18.148 13.351 -8.870 1.00 5.42 H new ATOM 0 HB3 ASN A 54 18.196 11.617 -8.616 1.00 5.42 H new ATOM 0 HD21 ASN A 54 21.443 13.346 -7.627 1.00 73.30 H new ATOM 0 HD22 ASN A 54 19.750 13.764 -7.347 1.00 73.30 H new ATOM 817 N ASP A 55 16.084 12.934 -11.237 1.00 11.13 N ATOM 818 CA ASP A 55 14.634 12.780 -11.300 1.00 1.32 C ATOM 819 C ASP A 55 14.213 12.158 -12.577 1.00 54.43 C ATOM 820 O ASP A 55 13.212 11.434 -12.618 1.00 12.44 O ATOM 821 CB ASP A 55 13.843 14.074 -11.023 1.00 13.25 C ATOM 822 CG ASP A 55 13.960 14.575 -9.598 1.00 25.23 C ATOM 823 OD1 ASP A 55 14.757 14.036 -8.820 1.00 4.31 O ATOM 824 OD2 ASP A 55 13.217 15.505 -9.219 1.00 54.24 O ATOM 0 H ASP A 55 16.435 13.851 -11.514 1.00 11.13 H new ATOM 0 HA ASP A 55 14.382 12.107 -10.480 1.00 1.32 H new ATOM 0 HB2 ASP A 55 14.192 14.853 -11.701 1.00 13.25 H new ATOM 0 HB3 ASP A 55 12.791 13.901 -11.251 1.00 13.25 H new ATOM 829 N CYS A 56 14.947 12.403 -13.645 1.00 3.54 N ATOM 830 CA CYS A 56 14.624 11.718 -14.854 1.00 34.11 C ATOM 831 C CYS A 56 14.997 10.268 -14.713 1.00 75.44 C ATOM 832 O CYS A 56 14.336 9.398 -15.251 1.00 62.13 O ATOM 833 CB CYS A 56 15.275 12.328 -16.114 1.00 34.35 C ATOM 834 SG CYS A 56 17.095 12.264 -16.301 1.00 70.44 S ATOM 0 H CYS A 56 15.737 13.046 -13.691 1.00 3.54 H new ATOM 0 HA CYS A 56 13.550 11.825 -15.004 1.00 34.11 H new ATOM 0 HB2 CYS A 56 14.839 11.832 -16.981 1.00 34.35 H new ATOM 0 HB3 CYS A 56 14.977 13.375 -16.162 1.00 34.35 H new ATOM 839 N ARG A 57 16.075 10.017 -14.005 1.00 65.24 N ATOM 840 CA ARG A 57 16.510 8.643 -13.774 1.00 73.10 C ATOM 841 C ARG A 57 15.498 7.850 -12.956 1.00 31.11 C ATOM 842 O ARG A 57 15.347 6.654 -13.164 1.00 4.22 O ATOM 843 CB ARG A 57 17.918 8.566 -13.200 1.00 20.31 C ATOM 844 CG ARG A 57 18.903 9.287 -14.061 1.00 75.45 C ATOM 845 CD ARG A 57 20.311 8.809 -13.828 1.00 24.32 C ATOM 846 NE ARG A 57 20.519 7.395 -14.233 1.00 21.13 N ATOM 847 CZ ARG A 57 21.542 6.957 -15.009 1.00 71.50 C ATOM 848 NH1 ARG A 57 22.319 7.829 -15.659 1.00 21.32 N ATOM 849 NH2 ARG A 57 21.738 5.645 -15.183 1.00 34.22 N ATOM 0 H ARG A 57 16.666 10.732 -13.580 1.00 65.24 H new ATOM 0 HA ARG A 57 16.558 8.164 -14.752 1.00 73.10 H new ATOM 0 HB2 ARG A 57 17.927 8.995 -12.198 1.00 20.31 H new ATOM 0 HB3 ARG A 57 18.215 7.522 -13.102 1.00 20.31 H new ATOM 0 HG2 ARG A 57 18.641 9.145 -15.109 1.00 75.45 H new ATOM 0 HG3 ARG A 57 18.845 10.357 -13.860 1.00 75.45 H new ATOM 0 HD2 ARG A 57 21.001 9.445 -14.382 1.00 24.32 H new ATOM 0 HD3 ARG A 57 20.556 8.918 -12.771 1.00 24.32 H new ATOM 0 HE ARG A 57 19.845 6.704 -13.904 1.00 21.13 H new ATOM 0 HH11 ARG A 57 22.144 8.830 -15.573 1.00 21.32 H new ATOM 0 HH12 ARG A 57 23.087 7.493 -16.241 1.00 21.32 H new ATOM 0 HH21 ARG A 57 21.118 4.972 -14.732 1.00 34.22 H new ATOM 0 HH22 ARG A 57 22.508 5.317 -15.767 1.00 34.22 H new ATOM 863 N GLN A 58 14.820 8.533 -12.043 1.00 31.24 N ATOM 864 CA GLN A 58 13.714 7.951 -11.238 1.00 74.43 C ATOM 865 C GLN A 58 12.701 7.344 -12.112 1.00 22.32 C ATOM 866 O GLN A 58 12.402 6.154 -12.040 1.00 73.12 O ATOM 867 CB GLN A 58 13.048 9.021 -10.429 1.00 4.11 C ATOM 868 CG GLN A 58 13.955 9.668 -9.402 1.00 45.21 C ATOM 869 CD GLN A 58 14.438 8.676 -8.360 1.00 42.35 C ATOM 870 OE1 GLN A 58 13.745 7.720 -8.033 1.00 30.22 O ATOM 871 NE2 GLN A 58 15.618 8.879 -7.846 1.00 43.21 N ATOM 0 H GLN A 58 15.010 9.512 -11.827 1.00 31.24 H new ATOM 0 HA GLN A 58 14.142 7.191 -10.584 1.00 74.43 H new ATOM 0 HB2 GLN A 58 12.671 9.791 -11.103 1.00 4.11 H new ATOM 0 HB3 GLN A 58 12.185 8.593 -9.919 1.00 4.11 H new ATOM 0 HG2 GLN A 58 14.814 10.111 -9.906 1.00 45.21 H new ATOM 0 HG3 GLN A 58 13.421 10.480 -8.908 1.00 45.21 H new ATOM 0 HE21 GLN A 58 16.170 9.685 -8.139 1.00 43.21 H new ATOM 0 HE22 GLN A 58 15.989 8.232 -7.150 1.00 43.21 H new ATOM 880 N THR A 59 12.187 8.200 -12.866 1.00 70.43 N ATOM 881 CA THR A 59 11.367 8.002 -13.946 1.00 15.23 C ATOM 882 C THR A 59 11.877 6.867 -14.807 1.00 32.02 C ATOM 883 O THR A 59 11.409 5.728 -14.699 1.00 4.34 O ATOM 884 CB THR A 59 11.493 9.438 -14.591 1.00 12.42 C ATOM 885 OG1 THR A 59 10.911 10.462 -13.795 1.00 21.34 O ATOM 886 CG2 THR A 59 11.263 9.636 -16.040 1.00 55.21 C ATOM 0 H THR A 59 12.360 9.193 -12.713 1.00 70.43 H new ATOM 0 HA THR A 59 10.339 7.694 -13.754 1.00 15.23 H new ATOM 0 HB THR A 59 12.579 9.531 -14.573 1.00 12.42 H new ATOM 0 HG1 THR A 59 11.615 10.934 -13.304 1.00 21.34 H new ATOM 0 HG21 THR A 59 11.396 10.689 -16.289 1.00 55.21 H new ATOM 0 HG22 THR A 59 11.975 9.036 -16.607 1.00 55.21 H new ATOM 0 HG23 THR A 59 10.248 9.329 -16.293 1.00 55.21 H new ATOM 894 N CYS A 60 12.809 7.139 -15.555 1.00 30.24 N ATOM 895 CA CYS A 60 13.141 6.265 -16.626 1.00 24.34 C ATOM 896 C CYS A 60 14.374 6.619 -17.236 1.00 13.33 C ATOM 897 O CYS A 60 14.331 7.178 -18.267 1.00 12.31 O ATOM 898 CB CYS A 60 12.133 6.369 -17.775 1.00 1.12 C ATOM 899 SG CYS A 60 10.424 5.843 -17.554 1.00 44.32 S ATOM 0 H CYS A 60 13.394 7.971 -15.477 1.00 30.24 H new ATOM 0 HA CYS A 60 13.166 5.274 -16.173 1.00 24.34 H new ATOM 0 HB2 CYS A 60 12.109 7.413 -18.086 1.00 1.12 H new ATOM 0 HB3 CYS A 60 12.539 5.797 -18.610 1.00 1.12 H new ATOM 904 N GLN A 61 15.466 6.441 -16.640 1.00 31.52 N ATOM 905 CA GLN A 61 16.534 6.633 -17.548 1.00 11.52 C ATOM 906 C GLN A 61 17.128 5.346 -18.007 1.00 31.34 C ATOM 907 O GLN A 61 16.955 4.959 -19.160 1.00 32.53 O ATOM 908 CB GLN A 61 17.506 7.674 -17.067 1.00 4.24 C ATOM 909 CG GLN A 61 16.798 9.002 -17.031 1.00 1.44 C ATOM 910 CD GLN A 61 16.278 9.386 -18.362 1.00 15.34 C ATOM 911 OE1 GLN A 61 16.838 9.034 -19.364 1.00 70.53 O ATOM 912 NE2 GLN A 61 15.189 10.078 -18.383 1.00 52.13 N ATOM 0 H GLN A 61 15.655 6.197 -15.668 1.00 31.52 H new ATOM 0 HA GLN A 61 16.127 7.063 -18.463 1.00 11.52 H new ATOM 0 HB2 GLN A 61 17.879 7.416 -16.076 1.00 4.24 H new ATOM 0 HB3 GLN A 61 18.370 7.722 -17.730 1.00 4.24 H new ATOM 0 HG2 GLN A 61 15.974 8.955 -16.319 1.00 1.44 H new ATOM 0 HG3 GLN A 61 17.484 9.770 -16.674 1.00 1.44 H new ATOM 0 HE21 GLN A 61 14.745 10.357 -17.508 1.00 52.13 H new ATOM 0 HE22 GLN A 61 14.772 10.346 -19.275 1.00 52.13 H new ATOM 921 N TYR A 62 17.776 4.660 -17.143 1.00 5.23 N ATOM 922 CA TYR A 62 18.305 3.384 -17.466 1.00 43.03 C ATOM 923 C TYR A 62 17.705 2.286 -16.620 1.00 3.12 C ATOM 924 O TYR A 62 18.229 1.951 -15.574 1.00 21.15 O ATOM 925 CB TYR A 62 19.830 3.342 -17.478 1.00 23.52 C ATOM 926 CG TYR A 62 20.487 4.130 -18.593 1.00 33.20 C ATOM 927 CD1 TYR A 62 20.552 3.588 -19.868 1.00 24.21 C ATOM 928 CD2 TYR A 62 21.059 5.377 -18.385 1.00 61.24 C ATOM 929 CE1 TYR A 62 21.156 4.256 -20.903 1.00 10.40 C ATOM 930 CE2 TYR A 62 21.678 6.057 -19.424 1.00 33.42 C ATOM 931 CZ TYR A 62 21.718 5.487 -20.682 1.00 43.25 C ATOM 932 OH TYR A 62 22.337 6.148 -21.726 1.00 54.33 O ATOM 0 H TYR A 62 17.957 4.966 -16.187 1.00 5.23 H new ATOM 0 HA TYR A 62 18.002 3.193 -18.495 1.00 43.03 H new ATOM 0 HB2 TYR A 62 20.196 3.720 -16.523 1.00 23.52 H new ATOM 0 HB3 TYR A 62 20.149 2.302 -17.553 1.00 23.52 H new ATOM 0 HD1 TYR A 62 20.117 2.617 -20.050 1.00 24.21 H new ATOM 0 HD2 TYR A 62 21.022 5.824 -17.402 1.00 61.24 H new ATOM 0 HE1 TYR A 62 21.189 3.814 -21.888 1.00 10.40 H new ATOM 0 HE2 TYR A 62 22.125 7.025 -19.251 1.00 33.42 H new ATOM 0 HH TYR A 62 22.684 7.008 -21.409 1.00 54.33 H new ATOM 942 N PRO A 63 16.573 1.712 -17.053 1.00 11.31 N ATOM 943 CA PRO A 63 15.947 0.580 -16.394 1.00 5.03 C ATOM 944 C PRO A 63 16.445 -0.703 -17.059 1.00 54.21 C ATOM 945 O PRO A 63 15.690 -1.655 -17.305 1.00 31.25 O ATOM 946 CB PRO A 63 14.447 0.797 -16.688 1.00 33.34 C ATOM 947 CG PRO A 63 14.381 1.876 -17.742 1.00 35.01 C ATOM 948 CD PRO A 63 15.786 2.111 -18.217 1.00 60.34 C ATOM 0 HA PRO A 63 16.159 0.500 -15.328 1.00 5.03 H new ATOM 0 HB2 PRO A 63 13.982 -0.123 -17.042 1.00 33.34 H new ATOM 0 HB3 PRO A 63 13.913 1.098 -15.787 1.00 33.34 H new ATOM 0 HG2 PRO A 63 13.741 1.569 -18.569 1.00 35.01 H new ATOM 0 HG3 PRO A 63 13.954 2.791 -17.331 1.00 35.01 H new ATOM 0 HD2 PRO A 63 16.025 1.512 -19.096 1.00 60.34 H new ATOM 0 HD3 PRO A 63 15.956 3.153 -18.486 1.00 60.34 H new ATOM 956 N VAL A 64 17.720 -0.685 -17.356 1.00 21.40 N ATOM 957 CA VAL A 64 18.369 -1.724 -18.096 1.00 74.51 C ATOM 958 C VAL A 64 19.266 -2.566 -17.213 1.00 4.34 C ATOM 959 O VAL A 64 19.561 -2.220 -16.061 1.00 24.24 O ATOM 960 CB VAL A 64 19.209 -1.135 -19.276 1.00 61.21 C ATOM 961 CG1 VAL A 64 18.320 -0.366 -20.246 1.00 52.23 C ATOM 962 CG2 VAL A 64 20.333 -0.235 -18.763 1.00 21.14 C ATOM 0 H VAL A 64 18.345 0.073 -17.081 1.00 21.40 H new ATOM 0 HA VAL A 64 17.581 -2.361 -18.499 1.00 74.51 H new ATOM 0 HB VAL A 64 19.660 -1.974 -19.807 1.00 61.21 H new ATOM 0 HG11 VAL A 64 18.928 0.034 -21.058 1.00 52.23 H new ATOM 0 HG12 VAL A 64 17.563 -1.036 -20.655 1.00 52.23 H new ATOM 0 HG13 VAL A 64 17.832 0.455 -19.720 1.00 52.23 H new ATOM 0 HG21 VAL A 64 20.898 0.159 -19.608 1.00 21.14 H new ATOM 0 HG22 VAL A 64 19.907 0.592 -18.195 1.00 21.14 H new ATOM 0 HG23 VAL A 64 20.997 -0.813 -18.120 1.00 21.14 H new ATOM 972 N GLY A 65 19.684 -3.649 -17.756 1.00 2.32 N ATOM 973 CA GLY A 65 20.480 -4.592 -17.074 1.00 20.53 C ATOM 974 C GLY A 65 20.515 -5.826 -17.893 1.00 23.24 C ATOM 975 O GLY A 65 19.616 -6.681 -17.735 1.00 65.21 O ATOM 976 OXT GLY A 65 21.389 -5.935 -18.765 1.00 0.00 O ATOM 0 H GLY A 65 19.473 -3.909 -18.719 1.00 2.32 H new ATOM 0 HA2 GLY A 65 21.487 -4.204 -16.923 1.00 20.53 H new ATOM 0 HA3 GLY A 65 20.067 -4.799 -16.087 1.00 20.53 H new TER 980 GLY A 65