USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 795 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 33 SER OG : rot 180:sc= 0.371 USER MOD Set 1.2: A 36 THR OG1 : rot 78:sc= 0.372 USER MOD Set 2.1: A 15 TYR OH : rot -144:sc= -0.0861 USER MOD Set 2.2: A 21 LYS NZ :NH3+ 138:sc= -0.482 (180deg=-1.58!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0286 (180deg=-0.24) USER MOD Single : A 2 HIS : no HD1:sc=-0.00499 X(o=-0.005,f=-0.21) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 18:sc= -1.33 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.947 (180deg=-2.04!) USER MOD Single : A 19 THR OG1 : rot -138:sc= -0.0953 USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= -0.0501 (180deg=-0.449) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0474 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -7.87! C(o=-7.9!,f=-9.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -68:sc= 1.29 USER MOD Single : A 49 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.4!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00901 (180deg=-0.148) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -7.04! C(o=-7!,f=-8.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -69:sc= 0.799 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 158:sc=-0.00696 (180deg=-0.257) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.4) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.663 -0.944 -1.347 1.00 13.22 N ATOM 2 CA MET A 1 2.279 0.051 -0.352 1.00 3.20 C ATOM 3 C MET A 1 3.095 1.329 -0.519 1.00 52.31 C ATOM 4 O MET A 1 2.617 2.425 -0.224 1.00 3.34 O ATOM 5 CB MET A 1 2.469 -0.508 1.059 1.00 21.03 C ATOM 6 CG MET A 1 1.162 -0.770 1.790 1.00 2.43 C ATOM 7 SD MET A 1 0.639 0.629 2.800 1.00 3.44 S ATOM 8 CE MET A 1 -1.081 0.218 3.084 1.00 24.35 C ATOM 0 H1 MET A 1 1.959 -1.710 -1.362 1.00 13.22 H new ATOM 0 H2 MET A 1 2.709 -0.497 -2.285 1.00 13.22 H new ATOM 0 H3 MET A 1 3.595 -1.336 -1.104 1.00 13.22 H new ATOM 0 HA MET A 1 1.226 0.291 -0.501 1.00 3.20 H new ATOM 0 HB2 MET A 1 3.035 -1.438 1.000 1.00 21.03 H new ATOM 0 HB3 MET A 1 3.067 0.193 1.641 1.00 21.03 H new ATOM 0 HG2 MET A 1 0.383 -1.000 1.063 1.00 2.43 H new ATOM 0 HG3 MET A 1 1.275 -1.649 2.424 1.00 2.43 H new ATOM 0 HE1 MET A 1 -1.544 0.992 3.696 1.00 24.35 H new ATOM 0 HE2 MET A 1 -1.602 0.152 2.129 1.00 24.35 H new ATOM 0 HE3 MET A 1 -1.146 -0.740 3.600 1.00 24.35 H new ATOM 18 N HIS A 2 4.328 1.182 -0.994 1.00 74.31 N ATOM 19 CA HIS A 2 5.209 2.325 -1.201 1.00 3.24 C ATOM 20 C HIS A 2 5.900 2.241 -2.559 1.00 35.44 C ATOM 21 O HIS A 2 7.042 2.673 -2.713 1.00 52.12 O ATOM 22 CB HIS A 2 6.255 2.397 -0.088 1.00 0.24 C ATOM 23 CG HIS A 2 7.050 1.138 0.069 1.00 24.14 C ATOM 24 ND1 HIS A 2 8.298 0.961 -0.491 1.00 73.32 N ATOM 25 CD2 HIS A 2 6.770 -0.010 0.730 1.00 2.44 C ATOM 26 CE1 HIS A 2 8.750 -0.242 -0.183 1.00 55.14 C ATOM 27 NE2 HIS A 2 7.842 -0.851 0.558 1.00 53.02 N ATOM 0 H HIS A 2 4.739 0.282 -1.243 1.00 74.31 H new ATOM 0 HA HIS A 2 4.601 3.229 -1.178 1.00 3.24 H new ATOM 0 HB2 HIS A 2 6.935 3.223 -0.293 1.00 0.24 H new ATOM 0 HB3 HIS A 2 5.756 2.622 0.855 1.00 0.24 H new ATOM 0 HD2 HIS A 2 5.871 -0.224 1.289 1.00 2.44 H new ATOM 0 HE1 HIS A 2 9.700 -0.657 -0.486 1.00 55.14 H new ATOM 0 HE2 HIS A 2 7.924 -1.793 0.940 1.00 53.02 H new ATOM 35 N ASP A 3 5.199 1.681 -3.539 1.00 23.32 N ATOM 36 CA ASP A 3 5.745 1.540 -4.884 1.00 75.40 C ATOM 37 C ASP A 3 5.614 2.845 -5.663 1.00 32.30 C ATOM 38 O ASP A 3 6.460 3.170 -6.496 1.00 23.21 O ATOM 39 CB ASP A 3 5.031 0.412 -5.631 1.00 31.31 C ATOM 40 CG ASP A 3 5.264 -0.944 -4.993 1.00 2.52 C ATOM 41 OD1 ASP A 3 6.430 -1.390 -4.958 1.00 11.54 O ATOM 42 OD2 ASP A 3 4.281 -1.559 -4.529 1.00 51.32 O ATOM 0 H ASP A 3 4.252 1.318 -3.427 1.00 23.32 H new ATOM 0 HA ASP A 3 6.803 1.295 -4.796 1.00 75.40 H new ATOM 0 HB2 ASP A 3 3.961 0.618 -5.658 1.00 31.31 H new ATOM 0 HB3 ASP A 3 5.377 0.388 -6.664 1.00 31.31 H new ATOM 47 N TYR A 4 4.548 3.588 -5.387 1.00 72.24 N ATOM 48 CA TYR A 4 4.304 4.856 -6.065 1.00 21.23 C ATOM 49 C TYR A 4 5.133 5.974 -5.442 1.00 4.55 C ATOM 50 O TYR A 4 5.808 6.727 -6.145 1.00 3.25 O ATOM 51 CB TYR A 4 2.818 5.213 -6.004 1.00 41.02 C ATOM 52 CG TYR A 4 2.496 6.567 -6.596 1.00 22.32 C ATOM 53 CD1 TYR A 4 2.492 6.762 -7.972 1.00 35.05 C ATOM 54 CD2 TYR A 4 2.198 7.651 -5.779 1.00 73.44 C ATOM 55 CE1 TYR A 4 2.199 7.997 -8.517 1.00 13.23 C ATOM 56 CE2 TYR A 4 1.902 8.889 -6.316 1.00 23.22 C ATOM 57 CZ TYR A 4 1.904 9.057 -7.685 1.00 3.22 C ATOM 58 OH TYR A 4 1.612 10.289 -8.223 1.00 11.50 O ATOM 0 H TYR A 4 3.839 3.334 -4.699 1.00 72.24 H new ATOM 0 HA TYR A 4 4.602 4.745 -7.108 1.00 21.23 H new ATOM 0 HB2 TYR A 4 2.247 4.450 -6.533 1.00 41.02 H new ATOM 0 HB3 TYR A 4 2.490 5.193 -4.965 1.00 41.02 H new ATOM 0 HD1 TYR A 4 2.722 5.934 -8.626 1.00 35.05 H new ATOM 0 HD2 TYR A 4 2.198 7.524 -4.707 1.00 73.44 H new ATOM 0 HE1 TYR A 4 2.201 8.132 -9.589 1.00 13.23 H new ATOM 0 HE2 TYR A 4 1.670 9.721 -5.667 1.00 23.22 H new ATOM 0 HH TYR A 4 1.426 10.925 -7.501 1.00 11.50 H new ATOM 68 N ILE A 5 5.078 6.076 -4.118 1.00 13.21 N ATOM 69 CA ILE A 5 5.824 7.101 -3.399 1.00 24.11 C ATOM 70 C ILE A 5 7.310 7.036 -3.736 1.00 3.34 C ATOM 71 O ILE A 5 8.023 8.036 -3.644 1.00 63.21 O ATOM 72 CB ILE A 5 5.648 6.961 -1.875 1.00 43.03 C ATOM 73 CG1 ILE A 5 6.301 8.142 -1.154 1.00 11.01 C ATOM 74 CG2 ILE A 5 6.240 5.645 -1.392 1.00 44.52 C ATOM 75 CD1 ILE A 5 7.730 7.878 -0.733 1.00 14.11 C ATOM 0 H ILE A 5 4.524 5.461 -3.522 1.00 13.21 H new ATOM 0 HA ILE A 5 5.423 8.064 -3.715 1.00 24.11 H new ATOM 0 HB ILE A 5 4.583 6.963 -1.645 1.00 43.03 H new ATOM 0 HG12 ILE A 5 6.279 9.014 -1.808 1.00 11.01 H new ATOM 0 HG13 ILE A 5 5.711 8.390 -0.272 1.00 11.01 H new ATOM 0 HG21 ILE A 5 6.108 5.561 -0.313 1.00 44.52 H new ATOM 0 HG22 ILE A 5 5.734 4.815 -1.885 1.00 44.52 H new ATOM 0 HG23 ILE A 5 7.303 5.615 -1.631 1.00 44.52 H new ATOM 0 HD11 ILE A 5 8.129 8.758 -0.228 1.00 14.11 H new ATOM 0 HD12 ILE A 5 7.758 7.026 -0.054 1.00 14.11 H new ATOM 0 HD13 ILE A 5 8.334 7.660 -1.613 1.00 14.11 H new ATOM 87 N LYS A 6 7.772 5.853 -4.127 1.00 55.45 N ATOM 88 CA LYS A 6 9.172 5.657 -4.482 1.00 2.02 C ATOM 89 C LYS A 6 9.597 6.628 -5.579 1.00 61.31 C ATOM 90 O LYS A 6 10.774 6.966 -5.699 1.00 22.42 O ATOM 91 CB LYS A 6 9.406 4.216 -4.942 1.00 40.30 C ATOM 92 CG LYS A 6 9.232 4.020 -6.438 1.00 63.01 C ATOM 93 CD LYS A 6 10.546 4.202 -7.181 1.00 34.35 C ATOM 94 CE LYS A 6 10.883 2.981 -8.023 1.00 51.22 C ATOM 95 NZ LYS A 6 10.064 2.922 -9.266 1.00 23.42 N ATOM 0 H LYS A 6 7.196 5.015 -4.206 1.00 55.45 H new ATOM 0 HA LYS A 6 9.776 5.852 -3.596 1.00 2.02 H new ATOM 0 HB2 LYS A 6 10.414 3.912 -4.659 1.00 40.30 H new ATOM 0 HB3 LYS A 6 8.715 3.558 -4.415 1.00 40.30 H new ATOM 0 HG2 LYS A 6 8.839 3.022 -6.632 1.00 63.01 H new ATOM 0 HG3 LYS A 6 8.498 4.731 -6.816 1.00 63.01 H new ATOM 0 HD2 LYS A 6 10.484 5.082 -7.822 1.00 34.35 H new ATOM 0 HD3 LYS A 6 11.348 4.385 -6.465 1.00 34.35 H new ATOM 0 HE2 LYS A 6 11.941 3.001 -8.285 1.00 51.22 H new ATOM 0 HE3 LYS A 6 10.718 2.078 -7.436 1.00 51.22 H new ATOM 0 HZ1 LYS A 6 10.323 2.076 -9.813 1.00 23.42 H new ATOM 0 HZ2 LYS A 6 9.056 2.877 -9.016 1.00 23.42 H new ATOM 0 HZ3 LYS A 6 10.241 3.772 -9.839 1.00 23.42 H new ATOM 109 N GLU A 7 8.631 7.073 -6.376 1.00 73.10 N ATOM 110 CA GLU A 7 8.907 8.005 -7.463 1.00 15.55 C ATOM 111 C GLU A 7 8.945 9.442 -6.950 1.00 10.23 C ATOM 112 O GLU A 7 9.568 10.313 -7.558 1.00 32.05 O ATOM 113 CB GLU A 7 7.848 7.872 -8.560 1.00 4.23 C ATOM 114 CG GLU A 7 7.631 6.442 -9.026 1.00 4.24 C ATOM 115 CD GLU A 7 6.987 6.367 -10.396 1.00 61.41 C ATOM 116 OE1 GLU A 7 5.966 7.052 -10.611 1.00 40.41 O ATOM 117 OE2 GLU A 7 7.505 5.621 -11.254 1.00 50.11 O ATOM 0 H GLU A 7 7.651 6.803 -6.290 1.00 73.10 H new ATOM 0 HA GLU A 7 9.884 7.759 -7.879 1.00 15.55 H new ATOM 0 HB2 GLU A 7 6.903 8.273 -8.192 1.00 4.23 H new ATOM 0 HB3 GLU A 7 8.142 8.483 -9.414 1.00 4.23 H new ATOM 0 HG2 GLU A 7 8.589 5.922 -9.050 1.00 4.24 H new ATOM 0 HG3 GLU A 7 7.003 5.920 -8.304 1.00 4.24 H new ATOM 124 N ARG A 8 8.274 9.682 -5.828 1.00 22.13 N ATOM 125 CA ARG A 8 8.230 11.013 -5.234 1.00 33.54 C ATOM 126 C ARG A 8 9.638 11.541 -4.978 1.00 1.11 C ATOM 127 O ARG A 8 9.887 12.744 -5.064 1.00 43.12 O ATOM 128 CB ARG A 8 7.439 10.984 -3.924 1.00 71.44 C ATOM 129 CG ARG A 8 6.706 12.281 -3.627 1.00 10.43 C ATOM 130 CD ARG A 8 5.733 12.119 -2.470 1.00 33.23 C ATOM 131 NE ARG A 8 4.434 12.722 -2.758 1.00 3.23 N ATOM 132 CZ ARG A 8 4.215 14.032 -2.753 1.00 45.42 C ATOM 133 NH1 ARG A 8 5.204 14.872 -2.477 1.00 71.04 N ATOM 134 NH2 ARG A 8 3.006 14.505 -3.026 1.00 10.24 N ATOM 0 H ARG A 8 7.754 8.972 -5.312 1.00 22.13 H new ATOM 0 HA ARG A 8 7.732 11.681 -5.937 1.00 33.54 H new ATOM 0 HB2 ARG A 8 6.716 10.169 -3.964 1.00 71.44 H new ATOM 0 HB3 ARG A 8 8.121 10.766 -3.102 1.00 71.44 H new ATOM 0 HG2 ARG A 8 7.428 13.062 -3.390 1.00 10.43 H new ATOM 0 HG3 ARG A 8 6.165 12.606 -4.516 1.00 10.43 H new ATOM 0 HD2 ARG A 8 5.600 11.059 -2.254 1.00 33.23 H new ATOM 0 HD3 ARG A 8 6.155 12.577 -1.575 1.00 33.23 H new ATOM 0 HE ARG A 8 3.653 12.103 -2.975 1.00 3.23 H new ATOM 0 HH11 ARG A 8 6.135 14.512 -2.268 1.00 71.04 H new ATOM 0 HH12 ARG A 8 5.033 15.878 -2.474 1.00 71.04 H new ATOM 0 HH21 ARG A 8 2.243 13.862 -3.240 1.00 10.24 H new ATOM 0 HH22 ARG A 8 2.839 15.511 -3.022 1.00 10.24 H new ATOM 148 N THR A 9 10.557 10.634 -4.662 1.00 61.30 N ATOM 149 CA THR A 9 11.940 11.008 -4.392 1.00 75.20 C ATOM 150 C THR A 9 12.730 11.161 -5.686 1.00 44.01 C ATOM 151 O THR A 9 13.691 11.929 -5.750 1.00 71.12 O ATOM 152 CB THR A 9 12.638 9.967 -3.497 1.00 4.54 C ATOM 153 OG1 THR A 9 14.023 10.300 -3.348 1.00 42.31 O ATOM 154 CG2 THR A 9 12.508 8.571 -4.086 1.00 14.10 C ATOM 0 H THR A 9 10.368 9.634 -4.587 1.00 61.30 H new ATOM 0 HA THR A 9 11.914 11.965 -3.871 1.00 75.20 H new ATOM 0 HB THR A 9 12.154 9.978 -2.520 1.00 4.54 H new ATOM 0 HG1 THR A 9 14.162 11.238 -3.595 1.00 42.31 H new ATOM 0 HG21 THR A 9 13.009 7.854 -3.436 1.00 14.10 H new ATOM 0 HG22 THR A 9 11.453 8.309 -4.171 1.00 14.10 H new ATOM 0 HG23 THR A 9 12.968 8.549 -5.074 1.00 14.10 H new ATOM 162 N ILE A 10 12.321 10.427 -6.715 1.00 33.41 N ATOM 163 CA ILE A 10 12.991 10.483 -8.008 1.00 51.01 C ATOM 164 C ILE A 10 13.150 11.924 -8.482 1.00 62.43 C ATOM 165 O ILE A 10 14.228 12.331 -8.916 1.00 60.34 O ATOM 166 CB ILE A 10 12.221 9.685 -9.077 1.00 33.14 C ATOM 167 CG1 ILE A 10 12.271 8.189 -8.761 1.00 72.53 C ATOM 168 CG2 ILE A 10 12.794 9.960 -10.459 1.00 10.03 C ATOM 169 CD1 ILE A 10 13.668 7.611 -8.794 1.00 23.43 C ATOM 0 H ILE A 10 11.528 9.786 -6.678 1.00 33.41 H new ATOM 0 HA ILE A 10 13.976 10.036 -7.873 1.00 51.01 H new ATOM 0 HB ILE A 10 11.179 10.005 -9.068 1.00 33.14 H new ATOM 0 HG12 ILE A 10 11.840 8.020 -7.774 1.00 72.53 H new ATOM 0 HG13 ILE A 10 11.648 7.654 -9.477 1.00 72.53 H new ATOM 0 HG21 ILE A 10 12.239 9.389 -11.203 1.00 10.03 H new ATOM 0 HG22 ILE A 10 12.711 11.024 -10.682 1.00 10.03 H new ATOM 0 HG23 ILE A 10 13.843 9.665 -10.483 1.00 10.03 H new ATOM 0 HD11 ILE A 10 13.627 6.547 -8.561 1.00 23.43 H new ATOM 0 HD12 ILE A 10 14.095 7.749 -9.787 1.00 23.43 H new ATOM 0 HD13 ILE A 10 14.290 8.120 -8.058 1.00 23.43 H new ATOM 181 N LYS A 11 12.070 12.692 -8.395 1.00 0.32 N ATOM 182 CA LYS A 11 12.089 14.089 -8.812 1.00 12.44 C ATOM 183 C LYS A 11 13.132 14.878 -8.026 1.00 30.50 C ATOM 184 O LYS A 11 13.840 15.716 -8.585 1.00 10.04 O ATOM 185 CB LYS A 11 10.707 14.719 -8.619 1.00 62.13 C ATOM 186 CG LYS A 11 9.571 13.870 -9.163 1.00 40.10 C ATOM 187 CD LYS A 11 8.244 14.608 -9.099 1.00 61.34 C ATOM 188 CE LYS A 11 7.068 13.643 -9.130 1.00 43.41 C ATOM 189 NZ LYS A 11 6.329 13.710 -10.421 1.00 44.52 N ATOM 0 H LYS A 11 11.170 12.371 -8.039 1.00 0.32 H new ATOM 0 HA LYS A 11 12.354 14.123 -9.869 1.00 12.44 H new ATOM 0 HB2 LYS A 11 10.542 14.894 -7.556 1.00 62.13 H new ATOM 0 HB3 LYS A 11 10.689 15.693 -9.109 1.00 62.13 H new ATOM 0 HG2 LYS A 11 9.785 13.593 -10.195 1.00 40.10 H new ATOM 0 HG3 LYS A 11 9.502 12.944 -8.592 1.00 40.10 H new ATOM 0 HD2 LYS A 11 8.202 15.205 -8.188 1.00 61.34 H new ATOM 0 HD3 LYS A 11 8.170 15.300 -9.938 1.00 61.34 H new ATOM 0 HE2 LYS A 11 7.428 12.627 -8.970 1.00 43.41 H new ATOM 0 HE3 LYS A 11 6.388 13.873 -8.310 1.00 43.41 H new ATOM 0 HZ1 LYS A 11 5.536 13.038 -10.402 1.00 44.52 H new ATOM 0 HZ2 LYS A 11 5.963 14.673 -10.562 1.00 44.52 H new ATOM 0 HZ3 LYS A 11 6.971 13.466 -11.202 1.00 44.52 H new ATOM 203 N ILE A 12 13.222 14.602 -6.729 1.00 62.03 N ATOM 204 CA ILE A 12 14.181 15.284 -5.869 1.00 31.22 C ATOM 205 C ILE A 12 15.613 14.923 -6.247 1.00 63.24 C ATOM 206 O ILE A 12 16.424 15.795 -6.556 1.00 12.54 O ATOM 207 CB ILE A 12 13.951 14.938 -4.386 1.00 3.34 C ATOM 208 CG1 ILE A 12 12.510 15.257 -3.982 1.00 61.24 C ATOM 209 CG2 ILE A 12 14.933 15.698 -3.507 1.00 3.44 C ATOM 210 CD1 ILE A 12 12.198 14.921 -2.541 1.00 12.41 C ATOM 0 H ILE A 12 12.643 13.911 -6.251 1.00 62.03 H new ATOM 0 HA ILE A 12 14.029 16.354 -6.013 1.00 31.22 H new ATOM 0 HB ILE A 12 14.119 13.870 -4.247 1.00 3.34 H new ATOM 0 HG12 ILE A 12 12.321 16.317 -4.148 1.00 61.24 H new ATOM 0 HG13 ILE A 12 11.829 14.706 -4.631 1.00 61.24 H new ATOM 0 HG21 ILE A 12 14.758 15.443 -2.462 1.00 3.44 H new ATOM 0 HG22 ILE A 12 15.952 15.426 -3.781 1.00 3.44 H new ATOM 0 HG23 ILE A 12 14.793 16.770 -3.647 1.00 3.44 H new ATOM 0 HD11 ILE A 12 11.160 15.173 -2.325 1.00 12.41 H new ATOM 0 HD12 ILE A 12 12.355 13.855 -2.374 1.00 12.41 H new ATOM 0 HD13 ILE A 12 12.854 15.492 -1.884 1.00 12.41 H new ATOM 222 N GLY A 13 15.918 13.629 -6.224 1.00 32.34 N ATOM 223 CA GLY A 13 17.252 13.174 -6.568 1.00 43.20 C ATOM 224 C GLY A 13 17.686 13.638 -7.944 1.00 53.54 C ATOM 225 O GLY A 13 18.873 13.848 -8.192 1.00 64.01 O ATOM 0 H GLY A 13 15.264 12.887 -5.973 1.00 32.34 H new ATOM 0 HA2 GLY A 13 17.960 13.540 -5.825 1.00 43.20 H new ATOM 0 HA3 GLY A 13 17.283 12.085 -6.529 1.00 43.20 H new ATOM 229 N LYS A 14 16.721 13.799 -8.844 1.00 21.41 N ATOM 230 CA LYS A 14 17.008 14.240 -10.204 1.00 12.44 C ATOM 231 C LYS A 14 17.060 15.763 -10.281 1.00 70.13 C ATOM 232 O LYS A 14 17.698 16.327 -11.170 1.00 44.11 O ATOM 233 CB LYS A 14 15.948 13.706 -11.170 1.00 20.14 C ATOM 234 CG LYS A 14 15.913 12.190 -11.256 1.00 65.14 C ATOM 235 CD LYS A 14 16.338 11.700 -12.631 1.00 13.21 C ATOM 236 CE LYS A 14 15.895 10.265 -12.873 1.00 15.43 C ATOM 237 NZ LYS A 14 17.000 9.428 -13.415 1.00 74.52 N ATOM 0 H LYS A 14 15.733 13.630 -8.656 1.00 21.41 H new ATOM 0 HA LYS A 14 17.983 13.845 -10.490 1.00 12.44 H new ATOM 0 HB2 LYS A 14 14.968 14.067 -10.857 1.00 20.14 H new ATOM 0 HB3 LYS A 14 16.135 14.114 -12.163 1.00 20.14 H new ATOM 0 HG2 LYS A 14 16.572 11.766 -10.498 1.00 65.14 H new ATOM 0 HG3 LYS A 14 14.906 11.835 -11.037 1.00 65.14 H new ATOM 0 HD2 LYS A 14 15.912 12.348 -13.397 1.00 13.21 H new ATOM 0 HD3 LYS A 14 17.422 11.768 -12.724 1.00 13.21 H new ATOM 0 HE2 LYS A 14 15.537 9.833 -11.939 1.00 15.43 H new ATOM 0 HE3 LYS A 14 15.057 10.256 -13.570 1.00 15.43 H new ATOM 0 HZ1 LYS A 14 16.873 8.443 -13.107 1.00 74.52 H new ATOM 0 HZ2 LYS A 14 16.989 9.470 -14.454 1.00 74.52 H new ATOM 0 HZ3 LYS A 14 17.911 9.786 -13.063 1.00 74.52 H new ATOM 251 N TYR A 15 16.386 16.422 -9.345 1.00 62.22 N ATOM 252 CA TYR A 15 16.355 17.879 -9.309 1.00 4.14 C ATOM 253 C TYR A 15 17.614 18.434 -8.648 1.00 14.21 C ATOM 254 O TYR A 15 18.198 19.409 -9.122 1.00 23.23 O ATOM 255 CB TYR A 15 15.115 18.365 -8.558 1.00 13.24 C ATOM 256 CG TYR A 15 14.943 19.867 -8.581 1.00 55.20 C ATOM 257 CD1 TYR A 15 15.606 20.676 -7.667 1.00 43.40 C ATOM 258 CD2 TYR A 15 14.116 20.477 -9.516 1.00 55.01 C ATOM 259 CE1 TYR A 15 15.452 22.049 -7.684 1.00 54.11 C ATOM 260 CE2 TYR A 15 13.956 21.849 -9.541 1.00 70.15 C ATOM 261 CZ TYR A 15 14.626 22.631 -8.623 1.00 72.45 C ATOM 262 OH TYR A 15 14.468 23.997 -8.645 1.00 4.54 O ATOM 0 H TYR A 15 15.854 15.970 -8.601 1.00 62.22 H new ATOM 0 HA TYR A 15 16.315 18.242 -10.336 1.00 4.14 H new ATOM 0 HB2 TYR A 15 14.231 17.900 -8.994 1.00 13.24 H new ATOM 0 HB3 TYR A 15 15.173 18.030 -7.522 1.00 13.24 H new ATOM 0 HD1 TYR A 15 16.253 20.224 -6.930 1.00 43.40 H new ATOM 0 HD2 TYR A 15 13.589 19.868 -10.236 1.00 55.01 H new ATOM 0 HE1 TYR A 15 15.975 22.663 -6.966 1.00 54.11 H new ATOM 0 HE2 TYR A 15 13.310 22.307 -10.275 1.00 70.15 H new ATOM 0 HH TYR A 15 13.544 24.216 -8.888 1.00 4.54 H new ATOM 272 N ILE A 16 18.024 17.806 -7.552 1.00 24.05 N ATOM 273 CA ILE A 16 19.214 18.235 -6.826 1.00 73.02 C ATOM 274 C ILE A 16 20.407 18.382 -7.764 1.00 72.44 C ATOM 275 O ILE A 16 21.240 19.271 -7.592 1.00 50.45 O ATOM 276 CB ILE A 16 19.576 17.245 -5.704 1.00 22.33 C ATOM 277 CG1 ILE A 16 20.065 15.922 -6.299 1.00 14.35 C ATOM 278 CG2 ILE A 16 18.378 17.013 -4.795 1.00 24.32 C ATOM 279 CD1 ILE A 16 21.564 15.864 -6.492 1.00 33.21 C ATOM 0 H ILE A 16 17.551 16.999 -7.147 1.00 24.05 H new ATOM 0 HA ILE A 16 18.982 19.204 -6.383 1.00 73.02 H new ATOM 0 HB ILE A 16 20.382 17.673 -5.108 1.00 22.33 H new ATOM 0 HG12 ILE A 16 19.759 15.104 -5.646 1.00 14.35 H new ATOM 0 HG13 ILE A 16 19.577 15.763 -7.260 1.00 14.35 H new ATOM 0 HG21 ILE A 16 18.650 16.311 -4.007 1.00 24.32 H new ATOM 0 HG22 ILE A 16 18.072 17.959 -4.348 1.00 24.32 H new ATOM 0 HG23 ILE A 16 17.553 16.603 -5.378 1.00 24.32 H new ATOM 0 HD11 ILE A 16 21.839 14.899 -6.917 1.00 33.21 H new ATOM 0 HD12 ILE A 16 21.875 16.660 -7.169 1.00 33.21 H new ATOM 0 HD13 ILE A 16 22.060 15.991 -5.530 1.00 33.21 H new ATOM 291 N VAL A 17 20.482 17.503 -8.759 1.00 70.11 N ATOM 292 CA VAL A 17 21.571 17.536 -9.727 1.00 65.25 C ATOM 293 C VAL A 17 21.259 18.490 -10.874 1.00 53.24 C ATOM 294 O VAL A 17 22.162 19.069 -11.476 1.00 42.42 O ATOM 295 CB VAL A 17 21.854 16.135 -10.302 1.00 51.03 C ATOM 296 CG1 VAL A 17 20.695 15.671 -11.172 1.00 24.01 C ATOM 297 CG2 VAL A 17 23.156 16.135 -11.090 1.00 14.25 C ATOM 0 H VAL A 17 19.801 16.760 -8.915 1.00 70.11 H new ATOM 0 HA VAL A 17 22.455 17.888 -9.196 1.00 65.25 H new ATOM 0 HB VAL A 17 21.958 15.435 -9.473 1.00 51.03 H new ATOM 0 HG11 VAL A 17 20.913 14.680 -11.570 1.00 24.01 H new ATOM 0 HG12 VAL A 17 19.785 15.630 -10.574 1.00 24.01 H new ATOM 0 HG13 VAL A 17 20.556 16.370 -11.997 1.00 24.01 H new ATOM 0 HG21 VAL A 17 23.340 15.137 -11.489 1.00 14.25 H new ATOM 0 HG22 VAL A 17 23.084 16.847 -11.912 1.00 14.25 H new ATOM 0 HG23 VAL A 17 23.978 16.421 -10.434 1.00 14.25 H new ATOM 307 N GLU A 18 19.973 18.649 -11.171 1.00 15.11 N ATOM 308 CA GLU A 18 19.541 19.534 -12.247 1.00 31.33 C ATOM 309 C GLU A 18 19.828 20.992 -11.900 1.00 72.12 C ATOM 310 O GLU A 18 20.139 21.801 -12.775 1.00 62.11 O ATOM 311 CB GLU A 18 18.047 19.348 -12.522 1.00 23.33 C ATOM 312 CG GLU A 18 17.735 18.972 -13.960 1.00 64.44 C ATOM 313 CD GLU A 18 16.519 18.075 -14.078 1.00 74.53 C ATOM 314 OE1 GLU A 18 15.420 18.507 -13.671 1.00 42.03 O ATOM 315 OE2 GLU A 18 16.665 16.939 -14.578 1.00 44.41 O ATOM 0 H GLU A 18 19.212 18.177 -10.682 1.00 15.11 H new ATOM 0 HA GLU A 18 20.103 19.274 -13.144 1.00 31.33 H new ATOM 0 HB2 GLU A 18 17.658 18.574 -11.860 1.00 23.33 H new ATOM 0 HB3 GLU A 18 17.523 20.271 -12.275 1.00 23.33 H new ATOM 0 HG2 GLU A 18 17.570 19.879 -14.541 1.00 64.44 H new ATOM 0 HG3 GLU A 18 18.598 18.467 -14.395 1.00 64.44 H new ATOM 322 N THR A 19 19.720 21.321 -10.617 1.00 0.43 N ATOM 323 CA THR A 19 19.966 22.681 -10.154 1.00 14.25 C ATOM 324 C THR A 19 21.266 22.766 -9.363 1.00 44.43 C ATOM 325 O THR A 19 21.857 23.839 -9.234 1.00 23.34 O ATOM 326 CB THR A 19 18.809 23.192 -9.274 1.00 2.44 C ATOM 327 OG1 THR A 19 18.758 22.448 -8.051 1.00 55.05 O ATOM 328 CG2 THR A 19 17.480 23.072 -10.003 1.00 71.03 C ATOM 0 H THR A 19 19.464 20.664 -9.880 1.00 0.43 H new ATOM 0 HA THR A 19 20.043 23.308 -11.042 1.00 14.25 H new ATOM 0 HB THR A 19 18.989 24.244 -9.051 1.00 2.44 H new ATOM 0 HG1 THR A 19 17.825 22.246 -7.829 1.00 55.05 H new ATOM 0 HG21 THR A 19 16.679 23.439 -9.362 1.00 71.03 H new ATOM 0 HG22 THR A 19 17.512 23.664 -10.918 1.00 71.03 H new ATOM 0 HG23 THR A 19 17.295 22.027 -10.253 1.00 71.03 H new ATOM 336 N LYS A 20 21.709 21.630 -8.837 1.00 33.43 N ATOM 337 CA LYS A 20 22.942 21.574 -8.060 1.00 54.21 C ATOM 338 C LYS A 20 22.829 22.426 -6.800 1.00 4.22 C ATOM 339 O LYS A 20 23.770 23.127 -6.426 1.00 51.51 O ATOM 340 CB LYS A 20 24.124 22.051 -8.907 1.00 31.40 C ATOM 341 CG LYS A 20 24.217 21.367 -10.260 1.00 40.33 C ATOM 342 CD LYS A 20 24.589 19.901 -10.120 1.00 73.32 C ATOM 343 CE LYS A 20 25.980 19.732 -9.528 1.00 55.30 C ATOM 344 NZ LYS A 20 27.000 20.518 -10.276 1.00 14.32 N ATOM 0 H LYS A 20 21.232 20.734 -8.935 1.00 33.43 H new ATOM 0 HA LYS A 20 23.110 20.539 -7.764 1.00 54.21 H new ATOM 0 HB2 LYS A 20 24.041 23.127 -9.058 1.00 31.40 H new ATOM 0 HB3 LYS A 20 25.049 21.877 -8.357 1.00 31.40 H new ATOM 0 HG2 LYS A 20 23.262 21.453 -10.778 1.00 40.33 H new ATOM 0 HG3 LYS A 20 24.960 21.875 -10.875 1.00 40.33 H new ATOM 0 HD2 LYS A 20 23.859 19.398 -9.485 1.00 73.32 H new ATOM 0 HD3 LYS A 20 24.547 19.419 -11.097 1.00 73.32 H new ATOM 0 HE2 LYS A 20 25.972 20.048 -8.485 1.00 55.30 H new ATOM 0 HE3 LYS A 20 26.254 18.677 -9.540 1.00 55.30 H new ATOM 0 HZ1 LYS A 20 27.908 20.011 -10.262 1.00 14.32 H new ATOM 0 HZ2 LYS A 20 26.689 20.643 -11.260 1.00 14.32 H new ATOM 0 HZ3 LYS A 20 27.117 21.450 -9.829 1.00 14.32 H new ATOM 358 N LYS A 21 21.674 22.360 -6.147 1.00 71.12 N ATOM 359 CA LYS A 21 21.439 23.123 -4.927 1.00 30.40 C ATOM 360 C LYS A 21 21.433 22.208 -3.706 1.00 72.13 C ATOM 361 O LYS A 21 21.679 21.006 -3.816 1.00 53.22 O ATOM 362 CB LYS A 21 20.110 23.876 -5.020 1.00 21.22 C ATOM 363 CG LYS A 21 20.261 25.323 -5.454 1.00 55.52 C ATOM 364 CD LYS A 21 19.663 25.557 -6.832 1.00 3.23 C ATOM 365 CE LYS A 21 18.160 25.323 -6.835 1.00 25.22 C ATOM 366 NZ LYS A 21 17.502 25.958 -8.010 1.00 64.10 N ATOM 0 H LYS A 21 20.885 21.785 -6.443 1.00 71.12 H new ATOM 0 HA LYS A 21 22.250 23.843 -4.816 1.00 30.40 H new ATOM 0 HB2 LYS A 21 19.458 23.360 -5.725 1.00 21.22 H new ATOM 0 HB3 LYS A 21 19.616 23.846 -4.049 1.00 21.22 H new ATOM 0 HG2 LYS A 21 19.773 25.974 -4.729 1.00 55.52 H new ATOM 0 HG3 LYS A 21 21.317 25.593 -5.464 1.00 55.52 H new ATOM 0 HD2 LYS A 21 19.874 26.577 -7.153 1.00 3.23 H new ATOM 0 HD3 LYS A 21 20.137 24.891 -7.553 1.00 3.23 H new ATOM 0 HE2 LYS A 21 17.959 24.252 -6.842 1.00 25.22 H new ATOM 0 HE3 LYS A 21 17.728 25.723 -5.917 1.00 25.22 H new ATOM 0 HZ1 LYS A 21 16.789 25.310 -8.401 1.00 64.10 H new ATOM 0 HZ2 LYS A 21 17.041 26.842 -7.714 1.00 64.10 H new ATOM 0 HZ3 LYS A 21 18.216 26.166 -8.737 1.00 64.10 H new ATOM 380 N THR A 22 21.149 22.784 -2.542 1.00 73.22 N ATOM 381 CA THR A 22 21.110 22.021 -1.301 1.00 70.52 C ATOM 382 C THR A 22 19.702 21.513 -1.012 1.00 0.15 C ATOM 383 O THR A 22 18.719 22.061 -1.511 1.00 31.14 O ATOM 384 CB THR A 22 21.595 22.864 -0.107 1.00 41.33 C ATOM 385 OG1 THR A 22 20.598 23.829 0.248 1.00 44.11 O ATOM 386 CG2 THR A 22 22.899 23.574 -0.440 1.00 71.34 C ATOM 0 H THR A 22 20.943 23.777 -2.433 1.00 73.22 H new ATOM 0 HA THR A 22 21.780 21.171 -1.432 1.00 70.52 H new ATOM 0 HB THR A 22 21.769 22.195 0.735 1.00 41.33 H new ATOM 0 HG1 THR A 22 20.913 24.360 1.009 1.00 44.11 H new ATOM 0 HG21 THR A 22 23.222 24.163 0.418 1.00 71.34 H new ATOM 0 HG22 THR A 22 23.664 22.836 -0.682 1.00 71.34 H new ATOM 0 HG23 THR A 22 22.747 24.232 -1.295 1.00 71.34 H new ATOM 394 N VAL A 23 19.611 20.463 -0.201 1.00 43.32 N ATOM 395 CA VAL A 23 18.323 19.883 0.157 1.00 75.02 C ATOM 396 C VAL A 23 17.368 20.948 0.686 1.00 61.25 C ATOM 397 O VAL A 23 16.150 20.818 0.567 1.00 33.42 O ATOM 398 CB VAL A 23 18.480 18.778 1.218 1.00 30.20 C ATOM 399 CG1 VAL A 23 19.062 17.518 0.595 1.00 2.21 C ATOM 400 CG2 VAL A 23 19.349 19.264 2.368 1.00 14.12 C ATOM 0 H VAL A 23 20.415 19.997 0.220 1.00 43.32 H new ATOM 0 HA VAL A 23 17.909 19.447 -0.752 1.00 75.02 H new ATOM 0 HB VAL A 23 17.494 18.536 1.614 1.00 30.20 H new ATOM 0 HG11 VAL A 23 19.166 16.748 1.360 1.00 2.21 H new ATOM 0 HG12 VAL A 23 18.397 17.161 -0.192 1.00 2.21 H new ATOM 0 HG13 VAL A 23 20.041 17.741 0.170 1.00 2.21 H new ATOM 0 HG21 VAL A 23 19.449 18.471 3.109 1.00 14.12 H new ATOM 0 HG22 VAL A 23 20.335 19.534 1.990 1.00 14.12 H new ATOM 0 HG23 VAL A 23 18.886 20.136 2.831 1.00 14.12 H new ATOM 410 N ARG A 24 17.930 22.001 1.269 1.00 43.43 N ATOM 411 CA ARG A 24 17.129 23.089 1.817 1.00 42.35 C ATOM 412 C ARG A 24 16.403 23.842 0.706 1.00 51.42 C ATOM 413 O ARG A 24 15.267 24.284 0.880 1.00 31.43 O ATOM 414 CB ARG A 24 18.014 24.054 2.608 1.00 40.54 C ATOM 415 CG ARG A 24 17.236 25.147 3.322 1.00 1.33 C ATOM 416 CD ARG A 24 17.175 26.421 2.493 1.00 22.24 C ATOM 417 NE ARG A 24 15.801 26.850 2.249 1.00 33.40 N ATOM 418 CZ ARG A 24 15.480 27.889 1.487 1.00 54.11 C ATOM 419 NH1 ARG A 24 16.430 28.602 0.898 1.00 73.02 N ATOM 420 NH2 ARG A 24 14.206 28.217 1.312 1.00 12.14 N ATOM 0 H ARG A 24 18.937 22.124 1.374 1.00 43.43 H new ATOM 0 HA ARG A 24 16.385 22.658 2.487 1.00 42.35 H new ATOM 0 HB2 ARG A 24 18.587 23.489 3.343 1.00 40.54 H new ATOM 0 HB3 ARG A 24 18.732 24.515 1.929 1.00 40.54 H new ATOM 0 HG2 ARG A 24 16.224 24.798 3.530 1.00 1.33 H new ATOM 0 HG3 ARG A 24 17.704 25.359 4.283 1.00 1.33 H new ATOM 0 HD2 ARG A 24 17.716 27.215 3.008 1.00 22.24 H new ATOM 0 HD3 ARG A 24 17.678 26.258 1.540 1.00 22.24 H new ATOM 0 HE ARG A 24 15.046 26.323 2.688 1.00 33.40 H new ATOM 0 HH11 ARG A 24 17.410 28.353 1.030 1.00 73.02 H new ATOM 0 HH12 ARG A 24 16.181 29.400 0.313 1.00 73.02 H new ATOM 0 HH21 ARG A 24 13.472 27.671 1.763 1.00 12.14 H new ATOM 0 HH22 ARG A 24 13.961 29.015 0.726 1.00 12.14 H new ATOM 434 N VAL A 25 17.067 23.986 -0.437 1.00 11.22 N ATOM 435 CA VAL A 25 16.485 24.685 -1.576 1.00 50.34 C ATOM 436 C VAL A 25 15.642 23.742 -2.428 1.00 4.22 C ATOM 437 O VAL A 25 14.694 24.167 -3.089 1.00 64.22 O ATOM 438 CB VAL A 25 17.574 25.322 -2.460 1.00 1.11 C ATOM 439 CG1 VAL A 25 16.948 26.228 -3.510 1.00 23.52 C ATOM 440 CG2 VAL A 25 18.570 26.092 -1.606 1.00 21.44 C ATOM 0 H VAL A 25 18.008 23.628 -0.598 1.00 11.22 H new ATOM 0 HA VAL A 25 15.848 25.472 -1.172 1.00 50.34 H new ATOM 0 HB VAL A 25 18.111 24.525 -2.975 1.00 1.11 H new ATOM 0 HG11 VAL A 25 17.733 26.669 -4.125 1.00 23.52 H new ATOM 0 HG12 VAL A 25 16.278 25.645 -4.141 1.00 23.52 H new ATOM 0 HG13 VAL A 25 16.385 27.021 -3.018 1.00 23.52 H new ATOM 0 HG21 VAL A 25 19.332 26.535 -2.247 1.00 21.44 H new ATOM 0 HG22 VAL A 25 18.050 26.880 -1.062 1.00 21.44 H new ATOM 0 HG23 VAL A 25 19.043 25.413 -0.897 1.00 21.44 H new ATOM 450 N ILE A 26 15.994 22.461 -2.406 1.00 51.11 N ATOM 451 CA ILE A 26 15.269 21.457 -3.175 1.00 13.30 C ATOM 452 C ILE A 26 13.992 21.032 -2.458 1.00 12.22 C ATOM 453 O ILE A 26 13.001 20.675 -3.093 1.00 75.14 O ATOM 454 CB ILE A 26 16.137 20.212 -3.435 1.00 52.14 C ATOM 455 CG1 ILE A 26 17.379 20.590 -4.245 1.00 21.23 C ATOM 456 CG2 ILE A 26 15.329 19.146 -4.161 1.00 24.14 C ATOM 457 CD1 ILE A 26 18.671 20.087 -3.639 1.00 33.20 C ATOM 0 H ILE A 26 16.776 22.094 -1.864 1.00 51.11 H new ATOM 0 HA ILE A 26 15.011 21.916 -4.130 1.00 13.30 H new ATOM 0 HB ILE A 26 16.461 19.806 -2.477 1.00 52.14 H new ATOM 0 HG12 ILE A 26 17.280 20.190 -5.254 1.00 21.23 H new ATOM 0 HG13 ILE A 26 17.428 21.675 -4.335 1.00 21.23 H new ATOM 0 HG21 ILE A 26 15.956 18.272 -4.338 1.00 24.14 H new ATOM 0 HG22 ILE A 26 14.472 18.861 -3.551 1.00 24.14 H new ATOM 0 HG23 ILE A 26 14.980 19.541 -5.115 1.00 24.14 H new ATOM 0 HD11 ILE A 26 19.509 20.391 -4.265 1.00 33.20 H new ATOM 0 HD12 ILE A 26 18.793 20.507 -2.641 1.00 33.20 H new ATOM 0 HD13 ILE A 26 18.643 18.999 -3.574 1.00 33.20 H new ATOM 469 N ALA A 27 14.023 21.075 -1.130 1.00 2.31 N ATOM 470 CA ALA A 27 12.867 20.698 -0.326 1.00 3.41 C ATOM 471 C ALA A 27 11.776 21.761 -0.401 1.00 60.25 C ATOM 472 O ALA A 27 10.618 21.457 -0.688 1.00 13.02 O ATOM 473 CB ALA A 27 13.282 20.467 1.120 1.00 45.45 C ATOM 0 H ALA A 27 14.836 21.367 -0.588 1.00 2.31 H new ATOM 0 HA ALA A 27 12.462 19.770 -0.729 1.00 3.41 H new ATOM 0 HB1 ALA A 27 12.409 20.186 1.709 1.00 45.45 H new ATOM 0 HB2 ALA A 27 14.021 19.667 1.163 1.00 45.45 H new ATOM 0 HB3 ALA A 27 13.714 21.382 1.525 1.00 45.45 H new ATOM 479 N LYS A 28 12.152 23.008 -0.142 1.00 45.53 N ATOM 480 CA LYS A 28 11.206 24.117 -0.181 1.00 45.32 C ATOM 481 C LYS A 28 10.428 24.122 -1.493 1.00 15.24 C ATOM 482 O LYS A 28 9.275 24.551 -1.538 1.00 61.01 O ATOM 483 CB LYS A 28 11.942 25.448 -0.007 1.00 53.24 C ATOM 484 CG LYS A 28 13.080 25.648 -0.993 1.00 73.35 C ATOM 485 CD LYS A 28 12.590 26.266 -2.292 1.00 62.23 C ATOM 486 CE LYS A 28 13.007 27.724 -2.407 1.00 51.14 C ATOM 487 NZ LYS A 28 12.437 28.370 -3.622 1.00 71.32 N ATOM 0 H LYS A 28 13.106 23.277 0.098 1.00 45.53 H new ATOM 0 HA LYS A 28 10.500 23.989 0.639 1.00 45.32 H new ATOM 0 HB2 LYS A 28 11.229 26.265 -0.118 1.00 53.24 H new ATOM 0 HB3 LYS A 28 12.337 25.505 1.007 1.00 53.24 H new ATOM 0 HG2 LYS A 28 13.840 26.290 -0.548 1.00 73.35 H new ATOM 0 HG3 LYS A 28 13.555 24.689 -1.201 1.00 73.35 H new ATOM 0 HD2 LYS A 28 12.989 25.705 -3.137 1.00 62.23 H new ATOM 0 HD3 LYS A 28 11.504 26.192 -2.345 1.00 62.23 H new ATOM 0 HE2 LYS A 28 12.680 28.266 -1.520 1.00 51.14 H new ATOM 0 HE3 LYS A 28 14.095 27.789 -2.437 1.00 51.14 H new ATOM 0 HZ1 LYS A 28 12.744 29.363 -3.664 1.00 71.32 H new ATOM 0 HZ2 LYS A 28 12.769 27.868 -4.470 1.00 71.32 H new ATOM 0 HZ3 LYS A 28 11.399 28.331 -3.581 1.00 71.32 H new ATOM 501 N GLU A 29 11.064 23.642 -2.556 1.00 24.41 N ATOM 502 CA GLU A 29 10.429 23.591 -3.868 1.00 23.25 C ATOM 503 C GLU A 29 9.310 22.554 -3.890 1.00 52.01 C ATOM 504 O GLU A 29 8.263 22.768 -4.502 1.00 31.41 O ATOM 505 CB GLU A 29 11.463 23.265 -4.947 1.00 63.52 C ATOM 506 CG GLU A 29 12.338 24.447 -5.329 1.00 23.40 C ATOM 507 CD GLU A 29 12.306 24.740 -6.816 1.00 70.03 C ATOM 508 OE1 GLU A 29 12.103 23.791 -7.603 1.00 41.52 O ATOM 509 OE2 GLU A 29 12.484 25.917 -7.193 1.00 73.15 O ATOM 0 H GLU A 29 12.018 23.283 -2.535 1.00 24.41 H new ATOM 0 HA GLU A 29 9.997 24.571 -4.073 1.00 23.25 H new ATOM 0 HB2 GLU A 29 12.098 22.452 -4.596 1.00 63.52 H new ATOM 0 HB3 GLU A 29 10.946 22.904 -5.836 1.00 63.52 H new ATOM 0 HG2 GLU A 29 12.009 25.330 -4.781 1.00 23.40 H new ATOM 0 HG3 GLU A 29 13.365 24.247 -5.024 1.00 23.40 H new ATOM 516 N PHE A 30 9.539 21.430 -3.219 1.00 73.02 N ATOM 517 CA PHE A 30 8.551 20.359 -3.163 1.00 61.50 C ATOM 518 C PHE A 30 7.473 20.666 -2.127 1.00 64.15 C ATOM 519 O PHE A 30 6.356 20.158 -2.209 1.00 20.33 O ATOM 520 CB PHE A 30 9.229 19.028 -2.830 1.00 64.02 C ATOM 521 CG PHE A 30 9.862 18.364 -4.019 1.00 61.34 C ATOM 522 CD1 PHE A 30 10.890 18.984 -4.711 1.00 1.12 C ATOM 523 CD2 PHE A 30 9.428 17.119 -4.446 1.00 64.24 C ATOM 524 CE1 PHE A 30 11.475 18.375 -5.805 1.00 52.44 C ATOM 525 CE2 PHE A 30 10.010 16.505 -5.540 1.00 15.21 C ATOM 526 CZ PHE A 30 11.033 17.135 -6.221 1.00 21.30 C ATOM 0 H PHE A 30 10.400 21.237 -2.707 1.00 73.02 H new ATOM 0 HA PHE A 30 8.078 20.284 -4.142 1.00 61.50 H new ATOM 0 HB2 PHE A 30 9.992 19.198 -2.070 1.00 64.02 H new ATOM 0 HB3 PHE A 30 8.492 18.352 -2.396 1.00 64.02 H new ATOM 0 HD1 PHE A 30 11.238 19.955 -4.392 1.00 1.12 H new ATOM 0 HD2 PHE A 30 8.627 16.623 -3.919 1.00 64.24 H new ATOM 0 HE1 PHE A 30 12.277 18.869 -6.334 1.00 52.44 H new ATOM 0 HE2 PHE A 30 9.665 15.534 -5.862 1.00 15.21 H new ATOM 0 HZ PHE A 30 11.486 16.658 -7.078 1.00 21.30 H new ATOM 536 N GLY A 31 7.819 21.502 -1.153 1.00 14.11 N ATOM 537 CA GLY A 31 6.871 21.863 -0.115 1.00 30.23 C ATOM 538 C GLY A 31 6.949 20.942 1.087 1.00 71.02 C ATOM 539 O GLY A 31 5.925 20.572 1.662 1.00 4.45 O ATOM 0 H GLY A 31 8.738 21.935 -1.064 1.00 14.11 H new ATOM 0 HA2 GLY A 31 7.059 22.888 0.204 1.00 30.23 H new ATOM 0 HA3 GLY A 31 5.861 21.837 -0.524 1.00 30.23 H new ATOM 543 N VAL A 32 8.167 20.568 1.466 1.00 10.53 N ATOM 544 CA VAL A 32 8.375 19.684 2.607 1.00 51.42 C ATOM 545 C VAL A 32 9.543 20.158 3.464 1.00 44.33 C ATOM 546 O VAL A 32 10.165 21.180 3.173 1.00 2.12 O ATOM 547 CB VAL A 32 8.639 18.236 2.154 1.00 50.24 C ATOM 548 CG1 VAL A 32 7.354 17.587 1.664 1.00 74.10 C ATOM 549 CG2 VAL A 32 9.708 18.204 1.072 1.00 61.50 C ATOM 0 H VAL A 32 9.025 20.863 1.000 1.00 10.53 H new ATOM 0 HA VAL A 32 7.460 19.711 3.199 1.00 51.42 H new ATOM 0 HB VAL A 32 9.002 17.666 3.009 1.00 50.24 H new ATOM 0 HG11 VAL A 32 7.560 16.564 1.348 1.00 74.10 H new ATOM 0 HG12 VAL A 32 6.621 17.577 2.471 1.00 74.10 H new ATOM 0 HG13 VAL A 32 6.958 18.154 0.821 1.00 74.10 H new ATOM 0 HG21 VAL A 32 9.882 17.173 0.763 1.00 61.50 H new ATOM 0 HG22 VAL A 32 9.375 18.788 0.214 1.00 61.50 H new ATOM 0 HG23 VAL A 32 10.634 18.627 1.462 1.00 61.50 H new ATOM 559 N SER A 33 9.837 19.408 4.521 1.00 2.30 N ATOM 560 CA SER A 33 10.930 19.753 5.423 1.00 12.20 C ATOM 561 C SER A 33 12.199 18.989 5.056 1.00 14.44 C ATOM 562 O SER A 33 12.143 17.831 4.643 1.00 31.13 O ATOM 563 CB SER A 33 10.539 19.450 6.871 1.00 50.42 C ATOM 564 OG SER A 33 11.112 18.231 7.309 1.00 24.04 O ATOM 0 H SER A 33 9.334 18.558 4.774 1.00 2.30 H new ATOM 0 HA SER A 33 11.128 20.820 5.323 1.00 12.20 H new ATOM 0 HB2 SER A 33 10.868 20.263 7.518 1.00 50.42 H new ATOM 0 HB3 SER A 33 9.454 19.396 6.954 1.00 50.42 H new ATOM 0 HG SER A 33 10.848 18.061 8.237 1.00 24.04 H new ATOM 570 N LYS A 34 13.343 19.647 5.211 1.00 52.05 N ATOM 571 CA LYS A 34 14.627 19.032 4.898 1.00 44.23 C ATOM 572 C LYS A 34 14.760 17.673 5.577 1.00 74.32 C ATOM 573 O LYS A 34 15.161 16.692 4.951 1.00 45.13 O ATOM 574 CB LYS A 34 15.774 19.946 5.336 1.00 52.54 C ATOM 575 CG LYS A 34 15.598 21.392 4.903 1.00 20.13 C ATOM 576 CD LYS A 34 15.667 22.341 6.088 1.00 25.31 C ATOM 577 CE LYS A 34 14.548 22.074 7.082 1.00 35.02 C ATOM 578 NZ LYS A 34 14.596 23.013 8.237 1.00 31.42 N ATOM 0 H LYS A 34 13.407 20.606 5.552 1.00 52.05 H new ATOM 0 HA LYS A 34 14.677 18.886 3.819 1.00 44.23 H new ATOM 0 HB2 LYS A 34 15.863 19.909 6.422 1.00 52.54 H new ATOM 0 HB3 LYS A 34 16.709 19.564 4.926 1.00 52.54 H new ATOM 0 HG2 LYS A 34 16.372 21.653 4.181 1.00 20.13 H new ATOM 0 HG3 LYS A 34 14.639 21.508 4.398 1.00 20.13 H new ATOM 0 HD2 LYS A 34 16.631 22.233 6.586 1.00 25.31 H new ATOM 0 HD3 LYS A 34 15.604 23.370 5.735 1.00 25.31 H new ATOM 0 HE2 LYS A 34 13.586 22.166 6.579 1.00 35.02 H new ATOM 0 HE3 LYS A 34 14.621 21.049 7.444 1.00 35.02 H new ATOM 0 HZ1 LYS A 34 13.817 22.798 8.892 1.00 31.42 H new ATOM 0 HZ2 LYS A 34 15.504 22.907 8.733 1.00 31.42 H new ATOM 0 HZ3 LYS A 34 14.501 23.990 7.894 1.00 31.42 H new ATOM 592 N SER A 35 14.418 17.622 6.860 1.00 34.42 N ATOM 593 CA SER A 35 14.501 16.383 7.625 1.00 75.44 C ATOM 594 C SER A 35 13.686 15.278 6.959 1.00 70.25 C ATOM 595 O SER A 35 14.017 14.096 7.063 1.00 11.22 O ATOM 596 CB SER A 35 14.004 16.606 9.054 1.00 2.44 C ATOM 597 OG SER A 35 14.525 15.626 9.935 1.00 63.45 O ATOM 0 H SER A 35 14.081 18.424 7.392 1.00 34.42 H new ATOM 0 HA SER A 35 15.546 16.074 7.655 1.00 75.44 H new ATOM 0 HB2 SER A 35 14.299 17.599 9.394 1.00 2.44 H new ATOM 0 HB3 SER A 35 12.915 16.574 9.073 1.00 2.44 H new ATOM 0 HG SER A 35 14.193 15.792 10.842 1.00 63.45 H new ATOM 603 N THR A 36 12.617 15.671 6.272 1.00 23.22 N ATOM 604 CA THR A 36 11.754 14.716 5.590 1.00 74.24 C ATOM 605 C THR A 36 12.373 14.257 4.274 1.00 15.31 C ATOM 606 O THR A 36 12.417 13.063 3.980 1.00 33.42 O ATOM 607 CB THR A 36 10.364 15.317 5.308 1.00 74.20 C ATOM 608 OG1 THR A 36 9.714 15.647 6.540 1.00 12.15 O ATOM 609 CG2 THR A 36 9.502 14.342 4.520 1.00 30.30 C ATOM 0 H THR A 36 12.329 16.645 6.174 1.00 23.22 H new ATOM 0 HA THR A 36 11.644 13.859 6.255 1.00 74.24 H new ATOM 0 HB THR A 36 10.498 16.221 4.714 1.00 74.20 H new ATOM 0 HG1 THR A 36 10.078 16.488 6.887 1.00 12.15 H new ATOM 0 HG21 THR A 36 8.525 14.789 4.333 1.00 30.30 H new ATOM 0 HG22 THR A 36 9.985 14.115 3.570 1.00 30.30 H new ATOM 0 HG23 THR A 36 9.377 13.423 5.092 1.00 30.30 H new ATOM 617 N VAL A 37 12.851 15.214 3.485 1.00 14.31 N ATOM 618 CA VAL A 37 13.469 14.908 2.201 1.00 43.22 C ATOM 619 C VAL A 37 14.676 13.993 2.376 1.00 10.13 C ATOM 620 O VAL A 37 14.722 12.895 1.820 1.00 3.33 O ATOM 621 CB VAL A 37 13.913 16.190 1.472 1.00 50.43 C ATOM 622 CG1 VAL A 37 14.574 15.849 0.145 1.00 22.01 C ATOM 623 CG2 VAL A 37 12.728 17.121 1.262 1.00 31.13 C ATOM 0 H VAL A 37 12.822 16.208 3.713 1.00 14.31 H new ATOM 0 HA VAL A 37 12.715 14.400 1.600 1.00 43.22 H new ATOM 0 HB VAL A 37 14.645 16.705 2.094 1.00 50.43 H new ATOM 0 HG11 VAL A 37 14.881 16.768 -0.355 1.00 22.01 H new ATOM 0 HG12 VAL A 37 15.449 15.224 0.324 1.00 22.01 H new ATOM 0 HG13 VAL A 37 13.867 15.311 -0.486 1.00 22.01 H new ATOM 0 HG21 VAL A 37 13.060 18.022 0.746 1.00 31.13 H new ATOM 0 HG22 VAL A 37 11.971 16.617 0.662 1.00 31.13 H new ATOM 0 HG23 VAL A 37 12.303 17.393 2.228 1.00 31.13 H new ATOM 633 N HIS A 38 15.652 14.452 3.154 1.00 73.03 N ATOM 634 CA HIS A 38 16.860 13.674 3.404 1.00 72.21 C ATOM 635 C HIS A 38 16.511 12.272 3.895 1.00 61.12 C ATOM 636 O HIS A 38 17.271 11.324 3.691 1.00 15.44 O ATOM 637 CB HIS A 38 17.744 14.381 4.431 1.00 11.33 C ATOM 638 CG HIS A 38 18.953 15.033 3.834 1.00 54.23 C ATOM 639 ND1 HIS A 38 19.473 16.223 4.297 1.00 12.04 N ATOM 640 CD2 HIS A 38 19.745 14.653 2.804 1.00 4.54 C ATOM 641 CE1 HIS A 38 20.532 16.548 3.578 1.00 22.12 C ATOM 642 NE2 HIS A 38 20.719 15.612 2.666 1.00 64.54 N ATOM 0 H HIS A 38 15.630 15.358 3.622 1.00 73.03 H new ATOM 0 HA HIS A 38 17.407 13.586 2.465 1.00 72.21 H new ATOM 0 HB2 HIS A 38 17.152 15.136 4.948 1.00 11.33 H new ATOM 0 HB3 HIS A 38 18.065 13.658 5.181 1.00 11.33 H new ATOM 0 HD1 HIS A 38 19.098 16.768 5.074 1.00 12.04 H new ATOM 0 HD2 HIS A 38 19.632 13.763 2.203 1.00 4.54 H new ATOM 0 HE1 HIS A 38 21.141 17.429 3.713 1.00 22.12 H new ATOM 650 N LYS A 39 15.358 12.147 4.543 1.00 51.11 N ATOM 651 CA LYS A 39 14.907 10.862 5.063 1.00 62.41 C ATOM 652 C LYS A 39 14.758 9.842 3.938 1.00 24.23 C ATOM 653 O LYS A 39 15.292 8.735 4.017 1.00 75.11 O ATOM 654 CB LYS A 39 13.575 11.024 5.798 1.00 53.32 C ATOM 655 CG LYS A 39 13.270 9.892 6.763 1.00 61.31 C ATOM 656 CD LYS A 39 12.017 10.173 7.575 1.00 73.45 C ATOM 657 CE LYS A 39 12.130 9.617 8.986 1.00 44.21 C ATOM 658 NZ LYS A 39 10.795 9.423 9.615 1.00 73.53 N ATOM 0 H LYS A 39 14.718 12.921 4.721 1.00 51.11 H new ATOM 0 HA LYS A 39 15.659 10.498 5.763 1.00 62.41 H new ATOM 0 HB2 LYS A 39 13.585 11.965 6.347 1.00 53.32 H new ATOM 0 HB3 LYS A 39 12.771 11.091 5.065 1.00 53.32 H new ATOM 0 HG2 LYS A 39 13.143 8.963 6.207 1.00 61.31 H new ATOM 0 HG3 LYS A 39 14.116 9.748 7.435 1.00 61.31 H new ATOM 0 HD2 LYS A 39 11.845 11.248 7.619 1.00 73.45 H new ATOM 0 HD3 LYS A 39 11.153 9.732 7.077 1.00 73.45 H new ATOM 0 HE2 LYS A 39 12.661 8.665 8.960 1.00 44.21 H new ATOM 0 HE3 LYS A 39 12.724 10.296 9.597 1.00 44.21 H new ATOM 0 HZ1 LYS A 39 10.916 9.043 10.575 1.00 73.53 H new ATOM 0 HZ2 LYS A 39 10.298 10.335 9.664 1.00 73.53 H new ATOM 0 HZ3 LYS A 39 10.237 8.755 9.046 1.00 73.53 H new ATOM 672 N ASP A 40 14.032 10.222 2.893 1.00 3.41 N ATOM 673 CA ASP A 40 13.816 9.342 1.751 1.00 32.20 C ATOM 674 C ASP A 40 15.005 9.387 0.797 1.00 50.55 C ATOM 675 O ASP A 40 15.362 8.380 0.184 1.00 51.43 O ATOM 676 CB ASP A 40 12.537 9.736 1.011 1.00 14.01 C ATOM 677 CG ASP A 40 11.284 9.327 1.761 1.00 24.04 C ATOM 678 OD1 ASP A 40 11.117 8.117 2.021 1.00 5.12 O ATOM 679 OD2 ASP A 40 10.471 10.217 2.088 1.00 33.40 O ATOM 0 H ASP A 40 13.583 11.134 2.813 1.00 3.41 H new ATOM 0 HA ASP A 40 13.711 8.323 2.124 1.00 32.20 H new ATOM 0 HB2 ASP A 40 12.528 10.815 0.856 1.00 14.01 H new ATOM 0 HB3 ASP A 40 12.534 9.272 0.025 1.00 14.01 H new ATOM 684 N LEU A 41 15.614 10.562 0.674 1.00 30.33 N ATOM 685 CA LEU A 41 16.763 10.740 -0.207 1.00 30.42 C ATOM 686 C LEU A 41 17.910 9.822 0.202 1.00 23.45 C ATOM 687 O LEU A 41 18.819 9.556 -0.585 1.00 3.21 O ATOM 688 CB LEU A 41 17.228 12.197 -0.184 1.00 35.13 C ATOM 689 CG LEU A 41 16.534 13.138 -1.169 1.00 42.14 C ATOM 690 CD1 LEU A 41 17.286 13.175 -2.491 1.00 0.32 C ATOM 691 CD2 LEU A 41 15.090 12.712 -1.387 1.00 54.14 C ATOM 0 H LEU A 41 15.331 11.405 1.173 1.00 30.33 H new ATOM 0 HA LEU A 41 16.456 10.479 -1.220 1.00 30.42 H new ATOM 0 HB2 LEU A 41 17.084 12.588 0.823 1.00 35.13 H new ATOM 0 HB3 LEU A 41 18.299 12.219 -0.385 1.00 35.13 H new ATOM 0 HG LEU A 41 16.535 14.142 -0.745 1.00 42.14 H new ATOM 0 HD11 LEU A 41 16.778 13.850 -3.180 1.00 0.32 H new ATOM 0 HD12 LEU A 41 18.303 13.528 -2.321 1.00 0.32 H new ATOM 0 HD13 LEU A 41 17.317 12.174 -2.920 1.00 0.32 H new ATOM 0 HD21 LEU A 41 14.612 13.393 -2.091 1.00 54.14 H new ATOM 0 HD22 LEU A 41 15.066 11.699 -1.789 1.00 54.14 H new ATOM 0 HD23 LEU A 41 14.556 12.738 -0.437 1.00 54.14 H new ATOM 703 N THR A 42 17.861 9.337 1.440 1.00 44.05 N ATOM 704 CA THR A 42 18.895 8.448 1.954 1.00 65.14 C ATOM 705 C THR A 42 18.322 7.078 2.296 1.00 30.22 C ATOM 706 O THR A 42 19.032 6.205 2.794 1.00 63.11 O ATOM 707 CB THR A 42 19.571 9.037 3.206 1.00 10.03 C ATOM 708 OG1 THR A 42 18.628 9.113 4.281 1.00 23.34 O ATOM 709 CG2 THR A 42 20.132 10.422 2.918 1.00 34.43 C ATOM 0 H THR A 42 17.116 9.546 2.104 1.00 44.05 H new ATOM 0 HA THR A 42 19.640 8.340 1.165 1.00 65.14 H new ATOM 0 HB THR A 42 20.394 8.381 3.490 1.00 10.03 H new ATOM 0 HG1 THR A 42 17.946 9.785 4.071 1.00 23.34 H new ATOM 0 HG21 THR A 42 20.604 10.817 3.817 1.00 34.43 H new ATOM 0 HG22 THR A 42 20.870 10.357 2.119 1.00 34.43 H new ATOM 0 HG23 THR A 42 19.323 11.086 2.611 1.00 34.43 H new ATOM 717 N GLU A 43 17.033 6.896 2.026 1.00 41.21 N ATOM 718 CA GLU A 43 16.365 5.631 2.307 1.00 62.35 C ATOM 719 C GLU A 43 15.768 5.037 1.034 1.00 61.30 C ATOM 720 O GLU A 43 16.288 4.063 0.488 1.00 54.54 O ATOM 721 CB GLU A 43 15.267 5.829 3.354 1.00 44.13 C ATOM 722 CG GLU A 43 15.797 5.984 4.769 1.00 24.43 C ATOM 723 CD GLU A 43 15.982 4.653 5.472 1.00 74.52 C ATOM 724 OE1 GLU A 43 14.988 3.907 5.599 1.00 73.00 O ATOM 725 OE2 GLU A 43 17.119 4.356 5.894 1.00 14.45 O ATOM 0 H GLU A 43 16.431 7.608 1.613 1.00 41.21 H new ATOM 0 HA GLU A 43 17.108 4.936 2.698 1.00 62.35 H new ATOM 0 HB2 GLU A 43 14.684 6.713 3.094 1.00 44.13 H new ATOM 0 HB3 GLU A 43 14.587 4.978 3.321 1.00 44.13 H new ATOM 0 HG2 GLU A 43 16.751 6.511 4.740 1.00 24.43 H new ATOM 0 HG3 GLU A 43 15.109 6.602 5.345 1.00 24.43 H new ATOM 732 N ARG A 44 14.674 5.629 0.568 1.00 15.54 N ATOM 733 CA ARG A 44 14.004 5.159 -0.638 1.00 61.41 C ATOM 734 C ARG A 44 14.836 5.471 -1.878 1.00 62.35 C ATOM 735 O ARG A 44 15.071 4.599 -2.717 1.00 5.52 O ATOM 736 CB ARG A 44 12.621 5.801 -0.763 1.00 44.05 C ATOM 737 CG ARG A 44 11.602 5.248 0.219 1.00 52.50 C ATOM 738 CD ARG A 44 11.237 3.809 -0.108 1.00 32.24 C ATOM 739 NE ARG A 44 10.161 3.310 0.745 1.00 60.02 N ATOM 740 CZ ARG A 44 10.319 3.013 2.030 1.00 63.22 C ATOM 741 NH1 ARG A 44 11.503 3.164 2.608 1.00 60.04 N ATOM 742 NH2 ARG A 44 9.292 2.564 2.740 1.00 61.03 N ATOM 0 H ARG A 44 14.232 6.436 1.008 1.00 15.54 H new ATOM 0 HA ARG A 44 13.889 4.078 -0.561 1.00 61.41 H new ATOM 0 HB2 ARG A 44 12.714 6.876 -0.610 1.00 44.05 H new ATOM 0 HB3 ARG A 44 12.252 5.654 -1.778 1.00 44.05 H new ATOM 0 HG2 ARG A 44 12.004 5.302 1.231 1.00 52.50 H new ATOM 0 HG3 ARG A 44 10.704 5.866 0.200 1.00 52.50 H new ATOM 0 HD2 ARG A 44 10.933 3.740 -1.153 1.00 32.24 H new ATOM 0 HD3 ARG A 44 12.116 3.176 0.010 1.00 32.24 H new ATOM 0 HE ARG A 44 9.238 3.183 0.331 1.00 60.02 H new ATOM 0 HH11 ARG A 44 12.295 3.509 2.066 1.00 60.04 H new ATOM 0 HH12 ARG A 44 11.622 2.935 3.595 1.00 60.04 H new ATOM 0 HH21 ARG A 44 8.380 2.446 2.299 1.00 61.03 H new ATOM 0 HH22 ARG A 44 9.415 2.336 3.727 1.00 61.03 H new ATOM 756 N LEU A 45 15.278 6.718 -1.989 1.00 44.52 N ATOM 757 CA LEU A 45 16.084 7.147 -3.127 1.00 61.55 C ATOM 758 C LEU A 45 17.145 6.105 -3.466 1.00 25.41 C ATOM 759 O LEU A 45 17.203 5.580 -4.578 1.00 43.23 O ATOM 760 CB LEU A 45 16.750 8.491 -2.829 1.00 52.14 C ATOM 761 CG LEU A 45 18.074 8.758 -3.546 1.00 23.35 C ATOM 762 CD1 LEU A 45 17.942 8.478 -5.034 1.00 73.05 C ATOM 763 CD2 LEU A 45 18.530 10.190 -3.309 1.00 13.24 C ATOM 0 H LEU A 45 15.092 7.451 -1.304 1.00 44.52 H new ATOM 0 HA LEU A 45 15.423 7.259 -3.986 1.00 61.55 H new ATOM 0 HB2 LEU A 45 16.051 9.286 -3.091 1.00 52.14 H new ATOM 0 HB3 LEU A 45 16.922 8.558 -1.755 1.00 52.14 H new ATOM 0 HG LEU A 45 18.828 8.086 -3.137 1.00 23.35 H new ATOM 0 HD11 LEU A 45 18.894 8.674 -5.527 1.00 73.05 H new ATOM 0 HD12 LEU A 45 17.663 7.435 -5.185 1.00 73.05 H new ATOM 0 HD13 LEU A 45 17.174 9.124 -5.459 1.00 73.05 H new ATOM 0 HD21 LEU A 45 19.474 10.362 -3.827 1.00 13.24 H new ATOM 0 HD22 LEU A 45 17.777 10.880 -3.690 1.00 13.24 H new ATOM 0 HD23 LEU A 45 18.667 10.356 -2.240 1.00 13.24 H new ATOM 775 N PRO A 46 18.005 5.795 -2.484 1.00 20.40 N ATOM 776 CA PRO A 46 19.078 4.811 -2.653 1.00 24.41 C ATOM 777 C PRO A 46 18.546 3.386 -2.770 1.00 1.51 C ATOM 778 O PRO A 46 19.118 2.557 -3.476 1.00 25.13 O ATOM 779 CB PRO A 46 19.908 4.968 -1.376 1.00 42.23 C ATOM 780 CG PRO A 46 18.954 5.510 -0.369 1.00 0.32 C ATOM 781 CD PRO A 46 17.995 6.380 -1.133 1.00 11.50 C ATOM 0 HA PRO A 46 19.644 4.979 -3.569 1.00 24.41 H new ATOM 0 HB2 PRO A 46 20.324 4.013 -1.054 1.00 42.23 H new ATOM 0 HB3 PRO A 46 20.748 5.645 -1.530 1.00 42.23 H new ATOM 0 HG2 PRO A 46 18.427 4.704 0.143 1.00 0.32 H new ATOM 0 HG3 PRO A 46 19.478 6.084 0.395 1.00 0.32 H new ATOM 0 HD2 PRO A 46 16.998 6.360 -0.694 1.00 11.50 H new ATOM 0 HD3 PRO A 46 18.318 7.421 -1.144 1.00 11.50 H new ATOM 789 N GLU A 47 17.448 3.111 -2.074 1.00 33.04 N ATOM 790 CA GLU A 47 16.839 1.786 -2.100 1.00 44.03 C ATOM 791 C GLU A 47 16.384 1.425 -3.511 1.00 74.12 C ATOM 792 O GLU A 47 16.592 0.303 -3.974 1.00 3.10 O ATOM 793 CB GLU A 47 15.651 1.726 -1.138 1.00 3.41 C ATOM 794 CG GLU A 47 16.011 1.201 0.242 1.00 43.23 C ATOM 795 CD GLU A 47 15.726 -0.280 0.395 1.00 73.12 C ATOM 796 OE1 GLU A 47 16.057 -1.048 -0.532 1.00 43.24 O ATOM 797 OE2 GLU A 47 15.170 -0.671 1.443 1.00 65.31 O ATOM 0 H GLU A 47 16.962 3.787 -1.485 1.00 33.04 H new ATOM 0 HA GLU A 47 17.590 1.063 -1.782 1.00 44.03 H new ATOM 0 HB2 GLU A 47 15.225 2.724 -1.038 1.00 3.41 H new ATOM 0 HB3 GLU A 47 14.877 1.091 -1.569 1.00 3.41 H new ATOM 0 HG2 GLU A 47 17.068 1.385 0.432 1.00 43.23 H new ATOM 0 HG3 GLU A 47 15.450 1.755 0.995 1.00 43.23 H new ATOM 804 N ILE A 48 15.760 2.383 -4.189 1.00 3.15 N ATOM 805 CA ILE A 48 15.276 2.167 -5.546 1.00 74.21 C ATOM 806 C ILE A 48 16.336 2.543 -6.575 1.00 42.20 C ATOM 807 O ILE A 48 16.350 2.018 -7.688 1.00 11.45 O ATOM 808 CB ILE A 48 13.997 2.979 -5.823 1.00 75.42 C ATOM 809 CG1 ILE A 48 14.210 4.449 -5.457 1.00 21.21 C ATOM 810 CG2 ILE A 48 12.823 2.399 -5.048 1.00 11.01 C ATOM 811 CD1 ILE A 48 13.706 5.413 -6.508 1.00 33.22 C ATOM 0 H ILE A 48 15.578 3.316 -3.820 1.00 3.15 H new ATOM 0 HA ILE A 48 15.049 1.105 -5.634 1.00 74.21 H new ATOM 0 HB ILE A 48 13.770 2.919 -6.887 1.00 75.42 H new ATOM 0 HG12 ILE A 48 13.706 4.657 -4.513 1.00 21.21 H new ATOM 0 HG13 ILE A 48 15.274 4.624 -5.295 1.00 21.21 H new ATOM 0 HG21 ILE A 48 11.926 2.984 -5.254 1.00 11.01 H new ATOM 0 HG22 ILE A 48 12.660 1.365 -5.354 1.00 11.01 H new ATOM 0 HG23 ILE A 48 13.040 2.432 -3.980 1.00 11.01 H new ATOM 0 HD11 ILE A 48 13.890 6.436 -6.181 1.00 33.22 H new ATOM 0 HD12 ILE A 48 14.228 5.233 -7.448 1.00 33.22 H new ATOM 0 HD13 ILE A 48 12.636 5.266 -6.654 1.00 33.22 H new ATOM 823 N ASN A 49 17.225 3.455 -6.194 1.00 51.12 N ATOM 824 CA ASN A 49 18.291 3.901 -7.084 1.00 2.34 C ATOM 825 C ASN A 49 19.526 4.314 -6.288 1.00 62.52 C ATOM 826 O ASN A 49 19.612 5.421 -5.757 1.00 70.11 O ATOM 827 CB ASN A 49 17.810 5.072 -7.943 1.00 42.12 C ATOM 828 CG ASN A 49 18.527 5.142 -9.278 1.00 1.44 C ATOM 829 OD1 ASN A 49 19.756 5.093 -9.338 1.00 53.21 O ATOM 830 ND2 ASN A 49 17.760 5.258 -10.356 1.00 3.54 N ATOM 0 H ASN A 49 17.228 3.899 -5.276 1.00 51.12 H new ATOM 0 HA ASN A 49 18.560 3.069 -7.734 1.00 2.34 H new ATOM 0 HB2 ASN A 49 16.738 4.977 -8.114 1.00 42.12 H new ATOM 0 HB3 ASN A 49 17.965 6.005 -7.401 1.00 42.12 H new ATOM 0 HD21 ASN A 49 18.186 5.310 -11.281 1.00 3.54 H new ATOM 0 HD22 ASN A 49 16.745 5.295 -10.258 1.00 3.54 H new ATOM 837 N PRO A 50 20.507 3.402 -6.204 1.00 12.33 N ATOM 838 CA PRO A 50 21.756 3.648 -5.476 1.00 54.55 C ATOM 839 C PRO A 50 22.639 4.678 -6.173 1.00 72.00 C ATOM 840 O PRO A 50 23.269 5.512 -5.522 1.00 34.31 O ATOM 841 CB PRO A 50 22.437 2.278 -5.468 1.00 20.24 C ATOM 842 CG PRO A 50 21.886 1.573 -6.659 1.00 41.31 C ATOM 843 CD PRO A 50 20.472 2.062 -6.812 1.00 22.30 C ATOM 0 HA PRO A 50 21.575 4.055 -4.481 1.00 54.55 H new ATOM 0 HB2 PRO A 50 23.521 2.375 -5.532 1.00 20.24 H new ATOM 0 HB3 PRO A 50 22.219 1.733 -4.550 1.00 20.24 H new ATOM 0 HG2 PRO A 50 22.474 1.794 -7.550 1.00 41.31 H new ATOM 0 HG3 PRO A 50 21.912 0.492 -6.520 1.00 41.31 H new ATOM 0 HD2 PRO A 50 20.172 2.104 -7.859 1.00 22.30 H new ATOM 0 HD3 PRO A 50 19.763 1.408 -6.303 1.00 22.30 H new ATOM 851 N ASP A 51 22.680 4.615 -7.499 1.00 71.43 N ATOM 852 CA ASP A 51 23.485 5.543 -8.285 1.00 22.25 C ATOM 853 C ASP A 51 22.994 6.976 -8.103 1.00 61.34 C ATOM 854 O ASP A 51 23.782 7.885 -7.838 1.00 21.50 O ATOM 855 CB ASP A 51 23.445 5.160 -9.765 1.00 0.12 C ATOM 856 CG ASP A 51 23.892 3.731 -10.006 1.00 13.53 C ATOM 857 OD1 ASP A 51 25.102 3.456 -9.867 1.00 1.52 O ATOM 858 OD2 ASP A 51 23.031 2.888 -10.332 1.00 53.23 O ATOM 0 H ASP A 51 22.165 3.931 -8.053 1.00 71.43 H new ATOM 0 HA ASP A 51 24.514 5.483 -7.931 1.00 22.25 H new ATOM 0 HB2 ASP A 51 22.431 5.289 -10.143 1.00 0.12 H new ATOM 0 HB3 ASP A 51 24.085 5.838 -10.330 1.00 0.12 H new ATOM 863 N LEU A 52 21.688 7.171 -8.249 1.00 63.04 N ATOM 864 CA LEU A 52 21.091 8.494 -8.103 1.00 4.02 C ATOM 865 C LEU A 52 21.264 9.015 -6.680 1.00 25.13 C ATOM 866 O LEU A 52 21.294 10.223 -6.450 1.00 14.42 O ATOM 867 CB LEU A 52 19.606 8.448 -8.464 1.00 73.30 C ATOM 868 CG LEU A 52 19.201 9.190 -9.738 1.00 63.34 C ATOM 869 CD1 LEU A 52 17.798 8.789 -10.167 1.00 11.55 C ATOM 870 CD2 LEU A 52 19.288 10.695 -9.530 1.00 24.52 C ATOM 0 H LEU A 52 21.022 6.430 -8.468 1.00 63.04 H new ATOM 0 HA LEU A 52 21.603 9.174 -8.784 1.00 4.02 H new ATOM 0 HB2 LEU A 52 19.310 7.404 -8.566 1.00 73.30 H new ATOM 0 HB3 LEU A 52 19.037 8.861 -7.631 1.00 73.30 H new ATOM 0 HG LEU A 52 19.894 8.913 -10.532 1.00 63.34 H new ATOM 0 HD11 LEU A 52 17.527 9.327 -11.075 1.00 11.55 H new ATOM 0 HD12 LEU A 52 17.769 7.716 -10.359 1.00 11.55 H new ATOM 0 HD13 LEU A 52 17.091 9.035 -9.375 1.00 11.55 H new ATOM 0 HD21 LEU A 52 18.996 11.207 -10.447 1.00 24.52 H new ATOM 0 HD22 LEU A 52 18.619 10.990 -8.721 1.00 24.52 H new ATOM 0 HD23 LEU A 52 20.311 10.968 -9.272 1.00 24.52 H new ATOM 882 N ALA A 53 21.381 8.094 -5.728 1.00 51.33 N ATOM 883 CA ALA A 53 21.556 8.461 -4.328 1.00 74.53 C ATOM 884 C ALA A 53 22.910 9.122 -4.099 1.00 23.12 C ATOM 885 O ALA A 53 23.076 9.913 -3.172 1.00 10.34 O ATOM 886 CB ALA A 53 21.407 7.234 -3.440 1.00 4.54 C ATOM 0 H ALA A 53 21.358 7.089 -5.901 1.00 51.33 H new ATOM 0 HA ALA A 53 20.782 9.182 -4.066 1.00 74.53 H new ATOM 0 HB1 ALA A 53 21.540 7.521 -2.397 1.00 4.54 H new ATOM 0 HB2 ALA A 53 20.414 6.806 -3.575 1.00 4.54 H new ATOM 0 HB3 ALA A 53 22.161 6.495 -3.711 1.00 4.54 H new ATOM 892 N ASN A 54 23.877 8.791 -4.949 1.00 53.32 N ATOM 893 CA ASN A 54 25.218 9.353 -4.838 1.00 21.44 C ATOM 894 C ASN A 54 25.214 10.842 -5.170 1.00 20.31 C ATOM 895 O ASN A 54 25.951 11.623 -4.570 1.00 43.00 O ATOM 896 CB ASN A 54 26.182 8.614 -5.768 1.00 71.43 C ATOM 897 CG ASN A 54 27.103 7.672 -5.017 1.00 71.31 C ATOM 898 OD1 ASN A 54 27.900 8.100 -4.182 1.00 61.33 O ATOM 899 ND2 ASN A 54 26.997 6.381 -5.311 1.00 40.15 N ATOM 0 H ASN A 54 23.757 8.137 -5.722 1.00 53.32 H new ATOM 0 HA ASN A 54 25.552 9.230 -3.808 1.00 21.44 H new ATOM 0 HB2 ASN A 54 25.610 8.049 -6.504 1.00 71.43 H new ATOM 0 HB3 ASN A 54 26.780 9.340 -6.318 1.00 71.43 H new ATOM 0 HD21 ASN A 54 27.590 5.700 -4.838 1.00 40.15 H new ATOM 0 HD22 ASN A 54 26.322 6.071 -6.010 1.00 40.15 H new ATOM 906 N GLU A 55 24.378 11.226 -6.129 1.00 51.13 N ATOM 907 CA GLU A 55 24.278 12.621 -6.541 1.00 4.40 C ATOM 908 C GLU A 55 23.979 13.521 -5.345 1.00 42.45 C ATOM 909 O GLU A 55 24.730 14.451 -5.051 1.00 3.32 O ATOM 910 CB GLU A 55 23.189 12.787 -7.603 1.00 20.42 C ATOM 911 CG GLU A 55 23.291 11.785 -8.741 1.00 22.34 C ATOM 912 CD GLU A 55 22.337 12.094 -9.877 1.00 75.34 C ATOM 913 OE1 GLU A 55 21.530 13.036 -9.736 1.00 13.11 O ATOM 914 OE2 GLU A 55 22.397 11.392 -10.909 1.00 51.31 O ATOM 0 H GLU A 55 23.760 10.591 -6.635 1.00 51.13 H new ATOM 0 HA GLU A 55 25.237 12.917 -6.966 1.00 4.40 H new ATOM 0 HB2 GLU A 55 22.213 12.687 -7.129 1.00 20.42 H new ATOM 0 HB3 GLU A 55 23.243 13.796 -8.012 1.00 20.42 H new ATOM 0 HG2 GLU A 55 24.312 11.776 -9.122 1.00 22.34 H new ATOM 0 HG3 GLU A 55 23.084 10.785 -8.359 1.00 22.34 H new ATOM 921 N VAL A 56 22.876 13.238 -4.660 1.00 51.03 N ATOM 922 CA VAL A 56 22.477 14.020 -3.497 1.00 14.44 C ATOM 923 C VAL A 56 23.533 13.951 -2.399 1.00 54.01 C ATOM 924 O VAL A 56 23.650 14.859 -1.576 1.00 52.43 O ATOM 925 CB VAL A 56 21.130 13.535 -2.929 1.00 74.31 C ATOM 926 CG1 VAL A 56 21.239 12.094 -2.453 1.00 12.33 C ATOM 927 CG2 VAL A 56 20.668 14.445 -1.801 1.00 22.43 C ATOM 0 H VAL A 56 22.243 12.472 -4.891 1.00 51.03 H new ATOM 0 HA VAL A 56 22.371 15.052 -3.831 1.00 14.44 H new ATOM 0 HB VAL A 56 20.385 13.574 -3.724 1.00 74.31 H new ATOM 0 HG11 VAL A 56 20.278 11.769 -2.055 1.00 12.33 H new ATOM 0 HG12 VAL A 56 21.520 11.455 -3.290 1.00 12.33 H new ATOM 0 HG13 VAL A 56 21.997 12.025 -1.673 1.00 12.33 H new ATOM 0 HG21 VAL A 56 19.715 14.087 -1.412 1.00 22.43 H new ATOM 0 HG22 VAL A 56 21.410 14.441 -1.003 1.00 22.43 H new ATOM 0 HG23 VAL A 56 20.547 15.460 -2.179 1.00 22.43 H new ATOM 937 N LYS A 57 24.301 12.867 -2.393 1.00 33.15 N ATOM 938 CA LYS A 57 25.350 12.678 -1.398 1.00 33.24 C ATOM 939 C LYS A 57 26.591 13.490 -1.754 1.00 73.44 C ATOM 940 O LYS A 57 27.349 13.899 -0.876 1.00 21.51 O ATOM 941 CB LYS A 57 25.712 11.195 -1.284 1.00 42.41 C ATOM 942 CG LYS A 57 27.017 10.943 -0.549 1.00 20.13 C ATOM 943 CD LYS A 57 26.975 11.493 0.867 1.00 52.31 C ATOM 944 CE LYS A 57 26.008 10.710 1.741 1.00 32.41 C ATOM 945 NZ LYS A 57 26.503 9.333 2.019 1.00 33.13 N ATOM 0 H LYS A 57 24.217 12.106 -3.066 1.00 33.15 H new ATOM 0 HA LYS A 57 24.972 13.028 -0.437 1.00 33.24 H new ATOM 0 HB2 LYS A 57 24.907 10.672 -0.768 1.00 42.41 H new ATOM 0 HB3 LYS A 57 25.780 10.768 -2.285 1.00 42.41 H new ATOM 0 HG2 LYS A 57 27.217 9.872 -0.518 1.00 20.13 H new ATOM 0 HG3 LYS A 57 27.839 11.406 -1.096 1.00 20.13 H new ATOM 0 HD2 LYS A 57 27.973 11.455 1.303 1.00 52.31 H new ATOM 0 HD3 LYS A 57 26.678 12.541 0.842 1.00 52.31 H new ATOM 0 HE2 LYS A 57 25.859 11.239 2.682 1.00 32.41 H new ATOM 0 HE3 LYS A 57 25.037 10.655 1.249 1.00 32.41 H new ATOM 0 HZ1 LYS A 57 25.929 8.903 2.773 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 26.429 8.757 1.156 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 27.497 9.376 2.322 1.00 33.13 H new ATOM 959 N GLU A 58 26.790 13.720 -3.048 1.00 70.15 N ATOM 960 CA GLU A 58 27.939 14.484 -3.520 1.00 22.23 C ATOM 961 C GLU A 58 27.847 15.939 -3.070 1.00 13.03 C ATOM 962 O GLU A 58 28.774 16.471 -2.459 1.00 21.35 O ATOM 963 CB GLU A 58 28.034 14.415 -5.045 1.00 44.33 C ATOM 964 CG GLU A 58 28.618 13.110 -5.561 1.00 13.43 C ATOM 965 CD GLU A 58 29.298 13.267 -6.907 1.00 3.03 C ATOM 966 OE1 GLU A 58 28.630 13.716 -7.861 1.00 44.23 O ATOM 967 OE2 GLU A 58 30.500 12.940 -7.005 1.00 12.33 O ATOM 0 H GLU A 58 26.171 13.388 -3.788 1.00 70.15 H new ATOM 0 HA GLU A 58 28.838 14.044 -3.087 1.00 22.23 H new ATOM 0 HB2 GLU A 58 27.039 14.551 -5.469 1.00 44.33 H new ATOM 0 HB3 GLU A 58 28.647 15.243 -5.400 1.00 44.33 H new ATOM 0 HG2 GLU A 58 29.337 12.727 -4.837 1.00 13.43 H new ATOM 0 HG3 GLU A 58 27.823 12.368 -5.644 1.00 13.43 H new ATOM 974 N ILE A 59 26.722 16.577 -3.377 1.00 23.30 N ATOM 975 CA ILE A 59 26.508 17.969 -3.004 1.00 42.52 C ATOM 976 C ILE A 59 26.644 18.162 -1.498 1.00 3.44 C ATOM 977 O ILE A 59 27.043 19.230 -1.031 1.00 1.32 O ATOM 978 CB ILE A 59 25.120 18.465 -3.450 1.00 71.35 C ATOM 979 CG1 ILE A 59 24.020 17.722 -2.689 1.00 2.13 C ATOM 980 CG2 ILE A 59 24.949 18.281 -4.951 1.00 61.10 C ATOM 981 CD1 ILE A 59 22.624 18.190 -3.034 1.00 51.23 C ATOM 0 H ILE A 59 25.945 16.152 -3.883 1.00 23.30 H new ATOM 0 HA ILE A 59 27.274 18.553 -3.514 1.00 42.52 H new ATOM 0 HB ILE A 59 25.040 19.528 -3.222 1.00 71.35 H new ATOM 0 HG12 ILE A 59 24.100 16.656 -2.901 1.00 2.13 H new ATOM 0 HG13 ILE A 59 24.182 17.847 -1.618 1.00 2.13 H new ATOM 0 HG21 ILE A 59 23.963 18.636 -5.251 1.00 61.10 H new ATOM 0 HG22 ILE A 59 25.715 18.850 -5.477 1.00 61.10 H new ATOM 0 HG23 ILE A 59 25.046 17.225 -5.201 1.00 61.10 H new ATOM 0 HD11 ILE A 59 21.896 17.619 -2.457 1.00 51.23 H new ATOM 0 HD12 ILE A 59 22.526 19.249 -2.796 1.00 51.23 H new ATOM 0 HD13 ILE A 59 22.442 18.039 -4.098 1.00 51.23 H new ATOM 993 N LEU A 60 26.312 17.122 -0.741 1.00 41.13 N ATOM 994 CA LEU A 60 26.399 17.176 0.714 1.00 70.50 C ATOM 995 C LEU A 60 27.839 17.398 1.166 1.00 53.02 C ATOM 996 O LEU A 60 28.114 18.275 1.985 1.00 23.42 O ATOM 997 CB LEU A 60 25.855 15.883 1.325 1.00 73.02 C ATOM 998 CG LEU A 60 24.333 15.786 1.446 1.00 45.41 C ATOM 999 CD1 LEU A 60 23.930 14.450 2.049 1.00 12.13 C ATOM 1000 CD2 LEU A 60 23.791 16.937 2.281 1.00 31.34 C ATOM 0 H LEU A 60 25.980 16.231 -1.111 1.00 41.13 H new ATOM 0 HA LEU A 60 25.796 18.016 1.058 1.00 70.50 H new ATOM 0 HB2 LEU A 60 26.206 15.045 0.723 1.00 73.02 H new ATOM 0 HB3 LEU A 60 26.287 15.765 2.319 1.00 73.02 H new ATOM 0 HG LEU A 60 23.902 15.854 0.447 1.00 45.41 H new ATOM 0 HD11 LEU A 60 22.844 14.399 2.127 1.00 12.13 H new ATOM 0 HD12 LEU A 60 24.286 13.641 1.411 1.00 12.13 H new ATOM 0 HD13 LEU A 60 24.370 14.351 3.041 1.00 12.13 H new ATOM 0 HD21 LEU A 60 22.707 16.853 2.357 1.00 31.34 H new ATOM 0 HD22 LEU A 60 24.229 16.900 3.279 1.00 31.34 H new ATOM 0 HD23 LEU A 60 24.049 17.884 1.806 1.00 31.34 H new ATOM 1012 N ASP A 61 28.753 16.600 0.625 1.00 51.43 N ATOM 1013 CA ASP A 61 30.166 16.712 0.969 1.00 15.24 C ATOM 1014 C ASP A 61 30.674 18.130 0.725 1.00 60.53 C ATOM 1015 O ASP A 61 31.627 18.577 1.364 1.00 54.13 O ATOM 1016 CB ASP A 61 30.991 15.713 0.157 1.00 2.50 C ATOM 1017 CG ASP A 61 32.436 15.651 0.613 1.00 72.53 C ATOM 1018 OD1 ASP A 61 32.678 15.229 1.763 1.00 15.14 O ATOM 1019 OD2 ASP A 61 33.325 16.022 -0.182 1.00 33.14 O ATOM 0 H ASP A 61 28.541 15.869 -0.054 1.00 51.43 H new ATOM 0 HA ASP A 61 30.276 16.484 2.029 1.00 15.24 H new ATOM 0 HB2 ASP A 61 30.543 14.723 0.241 1.00 2.50 H new ATOM 0 HB3 ASP A 61 30.957 15.989 -0.897 1.00 2.50 H new ATOM 1024 N TYR A 62 30.033 18.830 -0.204 1.00 44.14 N ATOM 1025 CA TYR A 62 30.423 20.195 -0.536 1.00 40.42 C ATOM 1026 C TYR A 62 29.749 21.196 0.397 1.00 12.40 C ATOM 1027 O TYR A 62 30.240 22.309 0.593 1.00 32.41 O ATOM 1028 CB TYR A 62 30.062 20.512 -1.989 1.00 4.35 C ATOM 1029 CG TYR A 62 30.001 21.993 -2.288 1.00 45.10 C ATOM 1030 CD1 TYR A 62 31.152 22.772 -2.280 1.00 61.43 C ATOM 1031 CD2 TYR A 62 28.793 22.613 -2.580 1.00 12.52 C ATOM 1032 CE1 TYR A 62 31.101 24.125 -2.553 1.00 32.14 C ATOM 1033 CE2 TYR A 62 28.732 23.966 -2.855 1.00 22.03 C ATOM 1034 CZ TYR A 62 29.889 24.717 -2.839 1.00 53.44 C ATOM 1035 OH TYR A 62 29.834 26.065 -3.113 1.00 35.04 O ATOM 0 H TYR A 62 29.241 18.475 -0.740 1.00 44.14 H new ATOM 0 HA TYR A 62 31.503 20.278 -0.410 1.00 40.42 H new ATOM 0 HB2 TYR A 62 30.796 20.047 -2.647 1.00 4.35 H new ATOM 0 HB3 TYR A 62 29.096 20.063 -2.221 1.00 4.35 H new ATOM 0 HD1 TYR A 62 32.103 22.311 -2.056 1.00 61.43 H new ATOM 0 HD2 TYR A 62 27.886 22.028 -2.592 1.00 12.52 H new ATOM 0 HE1 TYR A 62 32.005 24.716 -2.543 1.00 32.14 H new ATOM 0 HE2 TYR A 62 27.784 24.432 -3.081 1.00 22.03 H new ATOM 0 HH TYR A 62 28.907 26.324 -3.295 1.00 35.04 H new ATOM 1045 N HIS A 63 28.620 20.793 0.971 1.00 31.32 N ATOM 1046 CA HIS A 63 27.877 21.653 1.886 1.00 62.24 C ATOM 1047 C HIS A 63 28.546 21.694 3.257 1.00 74.15 C ATOM 1048 O HIS A 63 28.363 22.642 4.020 1.00 14.12 O ATOM 1049 CB HIS A 63 26.435 21.163 2.023 1.00 65.43 C ATOM 1050 CG HIS A 63 25.697 21.102 0.721 1.00 11.41 C ATOM 1051 ND1 HIS A 63 24.649 20.237 0.490 1.00 71.42 N ATOM 1052 CD2 HIS A 63 25.859 21.808 -0.422 1.00 42.43 C ATOM 1053 CE1 HIS A 63 24.200 20.411 -0.740 1.00 54.51 C ATOM 1054 NE2 HIS A 63 24.917 21.360 -1.315 1.00 12.12 N ATOM 0 H HIS A 63 28.199 19.876 0.819 1.00 31.32 H new ATOM 0 HA HIS A 63 27.872 22.662 1.474 1.00 62.24 H new ATOM 0 HB2 HIS A 63 26.438 20.172 2.476 1.00 65.43 H new ATOM 0 HB3 HIS A 63 25.899 21.823 2.705 1.00 65.43 H new ATOM 0 HD2 HIS A 63 26.593 22.580 -0.599 1.00 42.43 H new ATOM 0 HE1 HIS A 63 23.385 19.870 -1.198 1.00 54.51 H new ATOM 0 HE2 HIS A 63 24.791 21.704 -2.267 1.00 12.12 H new ATOM 1062 N LYS A 64 29.320 20.659 3.563 1.00 65.12 N ATOM 1063 CA LYS A 64 30.017 20.576 4.841 1.00 20.20 C ATOM 1064 C LYS A 64 31.329 21.353 4.797 1.00 13.14 C ATOM 1065 O LYS A 64 31.821 21.817 5.826 1.00 53.01 O ATOM 1066 CB LYS A 64 30.290 19.114 5.202 1.00 30.14 C ATOM 1067 CG LYS A 64 29.158 18.456 5.973 1.00 41.33 C ATOM 1068 CD LYS A 64 29.552 17.077 6.474 1.00 62.14 C ATOM 1069 CE LYS A 64 29.016 15.980 5.566 1.00 1.32 C ATOM 1070 NZ LYS A 64 28.110 15.051 6.296 1.00 72.45 N ATOM 0 H LYS A 64 29.481 19.865 2.943 1.00 65.12 H new ATOM 0 HA LYS A 64 29.378 21.020 5.604 1.00 20.20 H new ATOM 0 HB2 LYS A 64 30.471 18.550 4.287 1.00 30.14 H new ATOM 0 HB3 LYS A 64 31.203 19.059 5.796 1.00 30.14 H new ATOM 0 HG2 LYS A 64 28.879 19.085 6.818 1.00 41.33 H new ATOM 0 HG3 LYS A 64 28.280 18.374 5.333 1.00 41.33 H new ATOM 0 HD2 LYS A 64 30.638 17.006 6.530 1.00 62.14 H new ATOM 0 HD3 LYS A 64 29.170 16.933 7.485 1.00 62.14 H new ATOM 0 HE2 LYS A 64 28.479 16.430 4.731 1.00 1.32 H new ATOM 0 HE3 LYS A 64 29.849 15.418 5.144 1.00 1.32 H new ATOM 0 HZ1 LYS A 64 27.766 14.318 5.644 1.00 72.45 H new ATOM 0 HZ2 LYS A 64 28.629 14.603 7.078 1.00 72.45 H new ATOM 0 HZ3 LYS A 64 27.302 15.583 6.677 1.00 72.45 H new ATOM 1084 N SER A 65 31.889 21.492 3.600 1.00 3.43 N ATOM 1085 CA SER A 65 33.145 22.212 3.423 1.00 24.25 C ATOM 1086 C SER A 65 32.988 23.681 3.804 1.00 63.21 C ATOM 1087 O SER A 65 33.742 24.205 4.625 1.00 62.43 O ATOM 1088 CB SER A 65 33.624 22.097 1.975 1.00 71.31 C ATOM 1089 OG SER A 65 32.740 22.765 1.091 1.00 23.03 O ATOM 0 H SER A 65 31.493 21.116 2.738 1.00 3.43 H new ATOM 0 HA SER A 65 33.889 21.762 4.081 1.00 24.25 H new ATOM 0 HB2 SER A 65 34.624 22.522 1.884 1.00 71.31 H new ATOM 0 HB3 SER A 65 33.698 21.046 1.695 1.00 71.31 H new ATOM 0 HG SER A 65 31.890 22.279 1.049 1.00 23.03 H new ATOM 1095 N ILE A 66 32.004 24.339 3.201 1.00 1.54 N ATOM 1096 CA ILE A 66 31.747 25.747 3.477 1.00 11.41 C ATOM 1097 C ILE A 66 30.858 25.914 4.705 1.00 74.43 C ATOM 1098 O ILE A 66 30.581 27.033 5.137 1.00 63.14 O ATOM 1099 CB ILE A 66 31.080 26.444 2.276 1.00 21.40 C ATOM 1100 CG1 ILE A 66 29.565 26.230 2.312 1.00 44.55 C ATOM 1101 CG2 ILE A 66 31.663 25.923 0.971 1.00 23.41 C ATOM 1102 CD1 ILE A 66 29.158 24.776 2.229 1.00 12.15 C ATOM 0 H ILE A 66 31.372 23.920 2.519 1.00 1.54 H new ATOM 0 HA ILE A 66 32.714 26.213 3.666 1.00 11.41 H new ATOM 0 HB ILE A 66 31.279 27.514 2.339 1.00 21.40 H new ATOM 0 HG12 ILE A 66 29.168 26.658 3.232 1.00 44.55 H new ATOM 0 HG13 ILE A 66 29.110 26.774 1.485 1.00 44.55 H new ATOM 0 HG21 ILE A 66 31.182 26.425 0.132 1.00 23.41 H new ATOM 0 HG22 ILE A 66 32.735 26.121 0.946 1.00 23.41 H new ATOM 0 HG23 ILE A 66 31.491 24.849 0.899 1.00 23.41 H new ATOM 0 HD11 ILE A 66 28.071 24.700 2.260 1.00 12.15 H new ATOM 0 HD12 ILE A 66 29.525 24.348 1.296 1.00 12.15 H new ATOM 0 HD13 ILE A 66 29.584 24.230 3.071 1.00 12.15 H new ATOM 1114 N ARG A 67 30.414 24.792 5.263 1.00 12.32 N ATOM 1115 CA ARG A 67 29.556 24.813 6.442 1.00 41.50 C ATOM 1116 C ARG A 67 30.148 25.706 7.529 1.00 54.32 C ATOM 1117 O ARG A 67 29.426 26.437 8.208 1.00 55.11 O ATOM 1118 CB ARG A 67 29.361 23.396 6.982 1.00 34.32 C ATOM 1119 CG ARG A 67 28.588 23.343 8.290 1.00 53.31 C ATOM 1120 CD ARG A 67 29.520 23.387 9.490 1.00 3.53 C ATOM 1121 NE ARG A 67 28.935 22.741 10.662 1.00 64.01 N ATOM 1122 CZ ARG A 67 28.000 23.302 11.421 1.00 63.24 C ATOM 1123 NH1 ARG A 67 27.546 24.514 11.132 1.00 62.53 N ATOM 1124 NH2 ARG A 67 27.517 22.650 12.471 1.00 41.14 N ATOM 0 H ARG A 67 30.634 23.858 4.918 1.00 12.32 H new ATOM 0 HA ARG A 67 28.588 25.219 6.149 1.00 41.50 H new ATOM 0 HB2 ARG A 67 28.836 22.801 6.235 1.00 34.32 H new ATOM 0 HB3 ARG A 67 30.338 22.934 7.128 1.00 34.32 H new ATOM 0 HG2 ARG A 67 27.893 24.181 8.337 1.00 53.31 H new ATOM 0 HG3 ARG A 67 27.991 22.431 8.325 1.00 53.31 H new ATOM 0 HD2 ARG A 67 30.460 22.896 9.237 1.00 3.53 H new ATOM 0 HD3 ARG A 67 29.756 24.424 9.728 1.00 3.53 H new ATOM 0 HE ARG A 67 29.262 21.808 10.912 1.00 64.01 H new ATOM 0 HH11 ARG A 67 27.915 25.018 10.325 1.00 62.53 H new ATOM 0 HH12 ARG A 67 26.828 24.942 11.716 1.00 62.53 H new ATOM 0 HH21 ARG A 67 27.864 21.717 12.696 1.00 41.14 H new ATOM 0 HH22 ARG A 67 26.799 23.081 13.053 1.00 41.14 H new ATOM 1138 N HIS A 68 31.466 25.642 7.688 1.00 33.54 N ATOM 1139 CA HIS A 68 32.155 26.444 8.693 1.00 54.11 C ATOM 1140 C HIS A 68 31.773 27.916 8.567 1.00 4.00 C ATOM 1141 O HIS A 68 31.675 28.630 9.566 1.00 44.43 O ATOM 1142 CB HIS A 68 33.669 26.284 8.554 1.00 73.42 C ATOM 1143 CG HIS A 68 34.284 25.447 9.633 1.00 31.10 C ATOM 1144 ND1 HIS A 68 34.696 25.964 10.843 1.00 65.20 N ATOM 1145 CD2 HIS A 68 34.554 24.121 9.680 1.00 44.50 C ATOM 1146 CE1 HIS A 68 35.196 24.993 11.587 1.00 73.12 C ATOM 1147 NE2 HIS A 68 35.121 23.865 10.904 1.00 33.53 N ATOM 0 H HIS A 68 32.078 25.043 7.134 1.00 33.54 H new ATOM 0 HA HIS A 68 31.849 26.090 9.678 1.00 54.11 H new ATOM 0 HB2 HIS A 68 33.891 25.835 7.586 1.00 73.42 H new ATOM 0 HB3 HIS A 68 34.133 27.270 8.562 1.00 73.42 H new ATOM 0 HD2 HIS A 68 34.360 23.399 8.900 1.00 44.50 H new ATOM 0 HE1 HIS A 68 35.597 25.103 12.584 1.00 73.12 H new ATOM 0 HE2 HIS A 68 35.434 22.951 11.233 1.00 33.53 H new ATOM 1155 N LEU A 69 31.560 28.364 7.335 1.00 65.44 N ATOM 1156 CA LEU A 69 31.191 29.751 7.078 1.00 53.23 C ATOM 1157 C LEU A 69 29.711 29.983 7.369 1.00 44.34 C ATOM 1158 O LEU A 69 29.314 31.071 7.787 1.00 61.12 O ATOM 1159 CB LEU A 69 31.501 30.122 5.627 1.00 41.24 C ATOM 1160 CG LEU A 69 32.940 29.884 5.166 1.00 54.10 C ATOM 1161 CD1 LEU A 69 32.980 29.586 3.675 1.00 4.32 C ATOM 1162 CD2 LEU A 69 33.811 31.087 5.495 1.00 1.33 C ATOM 0 H LEU A 69 31.637 27.786 6.498 1.00 65.44 H new ATOM 0 HA LEU A 69 31.778 30.386 7.742 1.00 53.23 H new ATOM 0 HB2 LEU A 69 30.834 29.555 4.978 1.00 41.24 H new ATOM 0 HB3 LEU A 69 31.265 31.176 5.484 1.00 41.24 H new ATOM 0 HG LEU A 69 33.334 29.019 5.699 1.00 54.10 H new ATOM 0 HD11 LEU A 69 34.012 29.419 3.365 1.00 4.32 H new ATOM 0 HD12 LEU A 69 32.390 28.694 3.466 1.00 4.32 H new ATOM 0 HD13 LEU A 69 32.567 30.431 3.124 1.00 4.32 H new ATOM 0 HD21 LEU A 69 34.831 30.900 5.160 1.00 1.33 H new ATOM 0 HD22 LEU A 69 33.419 31.969 4.989 1.00 1.33 H new ATOM 0 HD23 LEU A 69 33.808 31.255 6.572 1.00 1.33 H new ATOM 1174 N ARG A 70 28.901 28.953 7.146 1.00 3.43 N ATOM 1175 CA ARG A 70 27.466 29.045 7.385 1.00 21.15 C ATOM 1176 C ARG A 70 27.158 28.977 8.878 1.00 22.14 C ATOM 1177 O ARG A 70 26.129 29.473 9.334 1.00 54.24 O ATOM 1178 CB ARG A 70 26.732 27.921 6.651 1.00 45.31 C ATOM 1179 CG ARG A 70 27.202 27.722 5.219 1.00 32.20 C ATOM 1180 CD ARG A 70 26.176 26.956 4.398 1.00 12.40 C ATOM 1181 NE ARG A 70 25.021 27.783 4.056 1.00 5.20 N ATOM 1182 CZ ARG A 70 23.911 27.304 3.507 1.00 31.31 C ATOM 1183 NH1 ARG A 70 23.805 26.009 3.240 1.00 51.41 N ATOM 1184 NH2 ARG A 70 22.903 28.120 3.225 1.00 62.52 N ATOM 0 H ARG A 70 29.214 28.046 6.800 1.00 3.43 H new ATOM 0 HA ARG A 70 27.121 30.006 7.003 1.00 21.15 H new ATOM 0 HB2 ARG A 70 26.867 26.990 7.202 1.00 45.31 H new ATOM 0 HB3 ARG A 70 25.664 28.137 6.647 1.00 45.31 H new ATOM 0 HG2 ARG A 70 27.388 28.692 4.758 1.00 32.20 H new ATOM 0 HG3 ARG A 70 28.148 27.181 5.217 1.00 32.20 H new ATOM 0 HD2 ARG A 70 26.643 26.590 3.484 1.00 12.40 H new ATOM 0 HD3 ARG A 70 25.843 26.082 4.958 1.00 12.40 H new ATOM 0 HE ARG A 70 25.070 28.783 4.250 1.00 5.20 H new ATOM 0 HH11 ARG A 70 24.577 25.379 3.456 1.00 51.41 H new ATOM 0 HH12 ARG A 70 22.951 25.643 2.818 1.00 51.41 H new ATOM 0 HH21 ARG A 70 22.981 29.116 3.430 1.00 62.52 H new ATOM 0 HH22 ARG A 70 22.051 27.751 2.803 1.00 62.52 H new ATOM 1198 N GLY A 71 28.059 28.358 9.636 1.00 71.22 N ATOM 1199 CA GLY A 71 27.865 28.236 11.069 1.00 60.42 C ATOM 1200 C GLY A 71 27.572 29.568 11.730 1.00 75.31 C ATOM 1201 O GLY A 71 26.905 29.623 12.763 1.00 63.34 O ATOM 0 H GLY A 71 28.919 27.939 9.283 1.00 71.22 H new ATOM 0 HA2 GLY A 71 27.042 27.548 11.264 1.00 60.42 H new ATOM 0 HA3 GLY A 71 28.758 27.800 11.518 1.00 60.42 H new ATOM 1205 N GLY A 72 28.072 30.646 11.134 1.00 71.34 N ATOM 1206 CA GLY A 72 27.850 31.969 11.686 1.00 3.22 C ATOM 1207 C GLY A 72 26.384 32.249 11.950 1.00 2.14 C ATOM 1208 O GLY A 72 26.046 33.031 12.838 1.00 52.42 O ATOM 0 H GLY A 72 28.627 30.626 10.278 1.00 71.34 H new ATOM 0 HA2 GLY A 72 28.409 32.070 12.616 1.00 3.22 H new ATOM 0 HA3 GLY A 72 28.241 32.717 10.997 1.00 3.22 H new ATOM 1212 N GLU A 73 25.512 31.610 11.177 1.00 24.50 N ATOM 1213 CA GLU A 73 24.074 31.797 11.331 1.00 25.33 C ATOM 1214 C GLU A 73 23.519 30.875 12.413 1.00 72.21 C ATOM 1215 O GLU A 73 22.743 31.301 13.268 1.00 72.32 O ATOM 1216 CB GLU A 73 23.358 31.534 10.005 1.00 44.32 C ATOM 1217 CG GLU A 73 24.085 32.104 8.798 1.00 54.11 C ATOM 1218 CD GLU A 73 24.184 33.617 8.838 1.00 63.34 C ATOM 1219 OE1 GLU A 73 23.127 34.279 8.903 1.00 62.33 O ATOM 1220 OE2 GLU A 73 25.318 34.138 8.803 1.00 2.33 O ATOM 0 H GLU A 73 25.776 30.958 10.438 1.00 24.50 H new ATOM 0 HA GLU A 73 23.898 32.830 11.632 1.00 25.33 H new ATOM 0 HB2 GLU A 73 23.239 30.459 9.873 1.00 44.32 H new ATOM 0 HB3 GLU A 73 22.357 31.962 10.051 1.00 44.32 H new ATOM 0 HG2 GLU A 73 25.088 31.679 8.748 1.00 54.11 H new ATOM 0 HG3 GLU A 73 23.565 31.801 7.889 1.00 54.11 H new ATOM 1227 N ALA A 74 23.922 29.609 12.368 1.00 54.14 N ATOM 1228 CA ALA A 74 23.466 28.627 13.344 1.00 51.04 C ATOM 1229 C ALA A 74 23.755 29.092 14.767 1.00 41.23 C ATOM 1230 O ALA A 74 23.077 28.691 15.713 1.00 73.42 O ATOM 1231 CB ALA A 74 24.123 27.280 13.083 1.00 60.32 C ATOM 0 H ALA A 74 24.563 29.240 11.666 1.00 54.14 H new ATOM 0 HA ALA A 74 22.387 28.519 13.237 1.00 51.04 H new ATOM 0 HB1 ALA A 74 23.774 26.556 13.819 1.00 60.32 H new ATOM 0 HB2 ALA A 74 23.861 26.935 12.083 1.00 60.32 H new ATOM 0 HB3 ALA A 74 25.205 27.382 13.160 1.00 60.32 H new ATOM 1237 N THR A 75 24.768 29.941 14.913 1.00 54.43 N ATOM 1238 CA THR A 75 25.148 30.460 16.221 1.00 71.24 C ATOM 1239 C THR A 75 24.048 31.339 16.805 1.00 40.15 C ATOM 1240 O THR A 75 23.589 31.116 17.925 1.00 62.20 O ATOM 1241 CB THR A 75 26.454 31.273 16.145 1.00 53.24 C ATOM 1242 OG1 THR A 75 27.250 30.819 15.045 1.00 44.12 O ATOM 1243 CG2 THR A 75 27.246 31.147 17.437 1.00 12.22 C ATOM 0 H THR A 75 25.340 30.284 14.141 1.00 54.43 H new ATOM 0 HA THR A 75 25.303 29.598 16.870 1.00 71.24 H new ATOM 0 HB THR A 75 26.195 32.322 15.997 1.00 53.24 H new ATOM 0 HG1 THR A 75 28.078 31.342 15.002 1.00 44.12 H new ATOM 0 HG21 THR A 75 28.164 31.730 17.359 1.00 12.22 H new ATOM 0 HG22 THR A 75 26.648 31.521 18.268 1.00 12.22 H new ATOM 0 HG23 THR A 75 27.494 30.100 17.611 1.00 12.22 H new ATOM 1251 N LYS A 76 23.628 32.340 16.038 1.00 32.12 N ATOM 1252 CA LYS A 76 22.580 33.253 16.478 1.00 35.10 C ATOM 1253 C LYS A 76 21.212 32.580 16.418 1.00 52.52 C ATOM 1254 O LYS A 76 20.322 32.888 17.212 1.00 53.43 O ATOM 1255 CB LYS A 76 22.578 34.515 15.612 1.00 33.05 C ATOM 1256 CG LYS A 76 23.953 35.137 15.442 1.00 54.44 C ATOM 1257 CD LYS A 76 24.573 35.496 16.782 1.00 54.33 C ATOM 1258 CE LYS A 76 25.283 36.840 16.725 1.00 14.32 C ATOM 1259 NZ LYS A 76 24.570 37.878 17.521 1.00 51.04 N ATOM 0 H LYS A 76 23.998 32.539 15.108 1.00 32.12 H new ATOM 0 HA LYS A 76 22.784 33.530 17.512 1.00 35.10 H new ATOM 0 HB2 LYS A 76 22.175 34.271 14.629 1.00 33.05 H new ATOM 0 HB3 LYS A 76 21.908 35.250 16.058 1.00 33.05 H new ATOM 0 HG2 LYS A 76 24.605 34.442 14.913 1.00 54.44 H new ATOM 0 HG3 LYS A 76 23.875 36.032 14.825 1.00 54.44 H new ATOM 0 HD2 LYS A 76 23.797 35.525 17.547 1.00 54.33 H new ATOM 0 HD3 LYS A 76 25.281 34.721 17.076 1.00 54.33 H new ATOM 0 HE2 LYS A 76 26.300 36.730 17.100 1.00 14.32 H new ATOM 0 HE3 LYS A 76 25.360 37.167 15.688 1.00 14.32 H new ATOM 0 HZ1 LYS A 76 25.085 38.779 17.457 1.00 51.04 H new ATOM 0 HZ2 LYS A 76 23.608 38.002 17.147 1.00 51.04 H new ATOM 0 HZ3 LYS A 76 24.519 37.578 18.516 1.00 51.04 H new ATOM 1273 N LEU A 77 21.051 31.660 15.473 1.00 1.51 N ATOM 1274 CA LEU A 77 19.792 30.943 15.311 1.00 74.45 C ATOM 1275 C LEU A 77 19.364 30.290 16.621 1.00 33.01 C ATOM 1276 O LEU A 77 18.173 30.104 16.875 1.00 4.24 O ATOM 1277 CB LEU A 77 19.925 29.880 14.218 1.00 12.11 C ATOM 1278 CG LEU A 77 19.790 30.377 12.778 1.00 11.14 C ATOM 1279 CD1 LEU A 77 19.990 29.232 11.798 1.00 44.45 C ATOM 1280 CD2 LEU A 77 18.433 31.033 12.565 1.00 23.05 C ATOM 0 H LEU A 77 21.777 31.393 14.808 1.00 1.51 H new ATOM 0 HA LEU A 77 19.028 31.663 15.019 1.00 74.45 H new ATOM 0 HB2 LEU A 77 20.896 29.397 14.325 1.00 12.11 H new ATOM 0 HB3 LEU A 77 19.168 29.115 14.389 1.00 12.11 H new ATOM 0 HG LEU A 77 20.564 31.123 12.597 1.00 11.14 H new ATOM 0 HD11 LEU A 77 19.890 29.604 10.778 1.00 44.45 H new ATOM 0 HD12 LEU A 77 20.984 28.807 11.934 1.00 44.45 H new ATOM 0 HD13 LEU A 77 19.239 28.463 11.979 1.00 44.45 H new ATOM 0 HD21 LEU A 77 18.355 31.381 11.535 1.00 23.05 H new ATOM 0 HD22 LEU A 77 17.643 30.309 12.765 1.00 23.05 H new ATOM 0 HD23 LEU A 77 18.328 31.880 13.243 1.00 23.05 H new ATOM 1292 N LYS A 78 20.342 29.945 17.452 1.00 40.55 N ATOM 1293 CA LYS A 78 20.068 29.317 18.738 1.00 22.23 C ATOM 1294 C LYS A 78 19.236 30.236 19.627 1.00 71.23 C ATOM 1295 O LYS A 78 18.448 29.771 20.451 1.00 1.52 O ATOM 1296 CB LYS A 78 21.378 28.958 19.443 1.00 5.20 C ATOM 1297 CG LYS A 78 22.016 30.127 20.173 1.00 0.45 C ATOM 1298 CD LYS A 78 23.468 29.843 20.520 1.00 11.43 C ATOM 1299 CE LYS A 78 23.635 29.516 21.996 1.00 14.44 C ATOM 1300 NZ LYS A 78 24.897 30.080 22.550 1.00 21.41 N ATOM 0 H LYS A 78 21.333 30.090 17.257 1.00 40.55 H new ATOM 0 HA LYS A 78 19.499 28.406 18.554 1.00 22.23 H new ATOM 0 HB2 LYS A 78 21.189 28.155 20.155 1.00 5.20 H new ATOM 0 HB3 LYS A 78 22.083 28.572 18.707 1.00 5.20 H new ATOM 0 HG2 LYS A 78 21.958 31.021 19.552 1.00 0.45 H new ATOM 0 HG3 LYS A 78 21.457 30.336 21.085 1.00 0.45 H new ATOM 0 HD2 LYS A 78 23.831 29.010 19.918 1.00 11.43 H new ATOM 0 HD3 LYS A 78 24.080 30.709 20.267 1.00 11.43 H new ATOM 0 HE2 LYS A 78 22.786 29.910 22.554 1.00 14.44 H new ATOM 0 HE3 LYS A 78 23.631 28.434 22.131 1.00 14.44 H new ATOM 0 HZ1 LYS A 78 24.974 29.835 23.558 1.00 21.41 H new ATOM 0 HZ2 LYS A 78 25.709 29.685 22.035 1.00 21.41 H new ATOM 0 HZ3 LYS A 78 24.891 31.115 22.445 1.00 21.41 H new ATOM 1314 N TYR A 79 19.415 31.540 19.452 1.00 15.42 N ATOM 1315 CA TYR A 79 18.680 32.524 20.239 1.00 45.30 C ATOM 1316 C TYR A 79 17.235 32.633 19.764 1.00 52.23 C ATOM 1317 O TYR A 79 16.343 33.004 20.528 1.00 44.24 O ATOM 1318 CB TYR A 79 19.362 33.891 20.150 1.00 24.34 C ATOM 1319 CG TYR A 79 20.706 33.943 20.842 1.00 33.04 C ATOM 1320 CD1 TYR A 79 21.859 33.515 20.196 1.00 30.13 C ATOM 1321 CD2 TYR A 79 20.822 34.419 22.142 1.00 13.43 C ATOM 1322 CE1 TYR A 79 23.088 33.560 20.825 1.00 45.13 C ATOM 1323 CE2 TYR A 79 22.047 34.470 22.778 1.00 61.40 C ATOM 1324 CZ TYR A 79 23.177 34.039 22.115 1.00 24.32 C ATOM 1325 OH TYR A 79 24.400 34.086 22.745 1.00 32.25 O ATOM 0 H TYR A 79 20.062 31.941 18.773 1.00 15.42 H new ATOM 0 HA TYR A 79 18.678 32.193 21.277 1.00 45.30 H new ATOM 0 HB2 TYR A 79 19.493 34.155 19.101 1.00 24.34 H new ATOM 0 HB3 TYR A 79 18.707 34.644 20.589 1.00 24.34 H new ATOM 0 HD1 TYR A 79 21.793 33.141 19.185 1.00 30.13 H new ATOM 0 HD2 TYR A 79 19.939 34.755 22.665 1.00 13.43 H new ATOM 0 HE1 TYR A 79 23.975 33.222 20.309 1.00 45.13 H new ATOM 0 HE2 TYR A 79 22.120 34.845 23.788 1.00 61.40 H new ATOM 0 HH TYR A 79 24.289 34.450 23.648 1.00 32.25 H new ATOM 1335 N LYS A 80 17.010 32.306 18.496 1.00 53.13 N ATOM 1336 CA LYS A 80 15.673 32.364 17.916 1.00 42.02 C ATOM 1337 C LYS A 80 14.960 31.023 18.057 1.00 63.13 C ATOM 1338 O LYS A 80 13.731 30.961 18.086 1.00 50.43 O ATOM 1339 CB LYS A 80 15.752 32.759 16.439 1.00 22.14 C ATOM 1340 CG LYS A 80 16.475 34.073 16.199 1.00 23.10 C ATOM 1341 CD LYS A 80 17.634 33.903 15.231 1.00 22.32 C ATOM 1342 CE LYS A 80 17.720 35.065 14.254 1.00 12.32 C ATOM 1343 NZ LYS A 80 17.728 36.379 14.955 1.00 0.20 N ATOM 0 H LYS A 80 17.737 31.998 17.850 1.00 53.13 H new ATOM 0 HA LYS A 80 15.102 33.118 18.457 1.00 42.02 H new ATOM 0 HB2 LYS A 80 16.260 31.968 15.887 1.00 22.14 H new ATOM 0 HB3 LYS A 80 14.742 32.831 16.036 1.00 22.14 H new ATOM 0 HG2 LYS A 80 15.774 34.808 15.803 1.00 23.10 H new ATOM 0 HG3 LYS A 80 16.846 34.464 17.147 1.00 23.10 H new ATOM 0 HD2 LYS A 80 18.567 33.826 15.789 1.00 22.32 H new ATOM 0 HD3 LYS A 80 17.515 32.971 14.679 1.00 22.32 H new ATOM 0 HE2 LYS A 80 18.624 34.968 13.653 1.00 12.32 H new ATOM 0 HE3 LYS A 80 16.875 35.025 13.567 1.00 12.32 H new ATOM 0 HZ1 LYS A 80 18.150 37.100 14.336 1.00 0.20 H new ATOM 0 HZ2 LYS A 80 16.753 36.653 15.191 1.00 0.20 H new ATOM 0 HZ3 LYS A 80 18.287 36.303 15.829 1.00 0.20 H new ATOM 1357 N LYS A 81 15.739 29.950 18.146 1.00 45.35 N ATOM 1358 CA LYS A 81 15.184 28.610 18.287 1.00 74.25 C ATOM 1359 C LYS A 81 15.091 28.211 19.756 1.00 70.11 C ATOM 1360 O LYS A 81 15.335 29.025 20.646 1.00 1.24 O ATOM 1361 CB LYS A 81 16.042 27.597 17.525 1.00 33.22 C ATOM 1362 CG LYS A 81 15.286 26.857 16.435 1.00 41.33 C ATOM 1363 CD LYS A 81 16.013 25.591 16.013 1.00 50.41 C ATOM 1364 CE LYS A 81 15.545 24.386 16.814 1.00 14.43 C ATOM 1365 NZ LYS A 81 16.622 23.370 16.968 1.00 32.21 N ATOM 0 H LYS A 81 16.758 29.983 18.123 1.00 45.35 H new ATOM 0 HA LYS A 81 14.179 28.614 17.866 1.00 74.25 H new ATOM 0 HB2 LYS A 81 16.891 28.115 17.079 1.00 33.22 H new ATOM 0 HB3 LYS A 81 16.446 26.872 18.231 1.00 33.22 H new ATOM 0 HG2 LYS A 81 14.288 26.603 16.792 1.00 41.33 H new ATOM 0 HG3 LYS A 81 15.159 27.510 15.571 1.00 41.33 H new ATOM 0 HD2 LYS A 81 15.845 25.411 14.951 1.00 50.41 H new ATOM 0 HD3 LYS A 81 17.086 25.724 16.148 1.00 50.41 H new ATOM 0 HE2 LYS A 81 15.210 24.712 17.799 1.00 14.43 H new ATOM 0 HE3 LYS A 81 14.686 23.933 16.319 1.00 14.43 H new ATOM 0 HZ1 LYS A 81 16.263 22.565 17.520 1.00 32.21 H new ATOM 0 HZ2 LYS A 81 16.924 23.040 16.029 1.00 32.21 H new ATOM 0 HZ3 LYS A 81 17.432 23.795 17.463 1.00 32.21 H new ATOM 1379 N ASP A 82 14.739 26.954 20.002 1.00 75.12 N ATOM 1380 CA ASP A 82 14.617 26.446 21.363 1.00 14.55 C ATOM 1381 C ASP A 82 15.991 26.233 21.989 1.00 64.20 C ATOM 1382 O ASP A 82 17.007 26.649 21.434 1.00 44.35 O ATOM 1383 CB ASP A 82 13.829 25.136 21.373 1.00 32.53 C ATOM 1384 CG ASP A 82 12.658 25.171 22.336 1.00 70.22 C ATOM 1385 OD1 ASP A 82 12.898 25.195 23.561 1.00 41.02 O ATOM 1386 OD2 ASP A 82 11.501 25.173 21.864 1.00 44.40 O ATOM 0 H ASP A 82 14.533 26.268 19.276 1.00 75.12 H new ATOM 0 HA ASP A 82 14.080 27.188 21.954 1.00 14.55 H new ATOM 0 HB2 ASP A 82 13.463 24.928 20.368 1.00 32.53 H new ATOM 0 HB3 ASP A 82 14.495 24.317 21.645 1.00 32.53 H new ATOM 1391 N GLU A 83 16.014 25.582 23.148 1.00 1.31 N ATOM 1392 CA GLU A 83 17.265 25.316 23.849 1.00 34.33 C ATOM 1393 C GLU A 83 18.217 24.505 22.975 1.00 74.13 C ATOM 1394 O GLU A 83 17.838 24.026 21.905 1.00 11.32 O ATOM 1395 CB GLU A 83 16.993 24.567 25.156 1.00 12.40 C ATOM 1396 CG GLU A 83 16.390 23.187 24.953 1.00 1.52 C ATOM 1397 CD GLU A 83 16.940 22.162 25.925 1.00 23.13 C ATOM 1398 OE1 GLU A 83 17.468 22.570 26.981 1.00 22.21 O ATOM 1399 OE2 GLU A 83 16.843 20.952 25.631 1.00 44.55 O ATOM 0 H GLU A 83 15.182 25.230 23.621 1.00 1.31 H new ATOM 0 HA GLU A 83 17.735 26.273 24.077 1.00 34.33 H new ATOM 0 HB2 GLU A 83 17.927 24.468 25.709 1.00 12.40 H new ATOM 0 HB3 GLU A 83 16.319 25.162 25.772 1.00 12.40 H new ATOM 0 HG2 GLU A 83 15.308 23.247 25.068 1.00 1.52 H new ATOM 0 HG3 GLU A 83 16.585 22.856 23.933 1.00 1.52 H new ATOM 1406 N ILE A 84 19.453 24.356 23.437 1.00 23.11 N ATOM 1407 CA ILE A 84 20.459 23.603 22.698 1.00 42.31 C ATOM 1408 C ILE A 84 21.067 22.503 23.561 1.00 10.13 C ATOM 1409 O ILE A 84 22.182 22.639 24.066 1.00 44.42 O ATOM 1410 CB ILE A 84 21.586 24.521 22.187 1.00 72.41 C ATOM 1411 CG1 ILE A 84 20.997 25.748 21.488 1.00 74.51 C ATOM 1412 CG2 ILE A 84 22.504 23.757 21.244 1.00 11.12 C ATOM 1413 CD1 ILE A 84 20.790 26.928 22.411 1.00 64.00 C ATOM 0 H ILE A 84 19.782 24.747 24.320 1.00 23.11 H new ATOM 0 HA ILE A 84 19.952 23.153 21.844 1.00 42.31 H new ATOM 0 HB ILE A 84 22.174 24.860 23.040 1.00 72.41 H new ATOM 0 HG12 ILE A 84 21.659 26.045 20.674 1.00 74.51 H new ATOM 0 HG13 ILE A 84 20.042 25.476 21.039 1.00 74.51 H new ATOM 0 HG21 ILE A 84 23.295 24.419 20.891 1.00 11.12 H new ATOM 0 HG22 ILE A 84 22.946 22.912 21.772 1.00 11.12 H new ATOM 0 HG23 ILE A 84 21.929 23.393 20.393 1.00 11.12 H new ATOM 0 HD11 ILE A 84 20.370 27.761 21.848 1.00 64.00 H new ATOM 0 HD12 ILE A 84 20.104 26.648 23.211 1.00 64.00 H new ATOM 0 HD13 ILE A 84 21.746 27.226 22.841 1.00 64.00 H new ATOM 1425 N LEU A 85 20.328 21.412 23.726 1.00 34.12 N ATOM 1426 CA LEU A 85 20.794 20.285 24.527 1.00 0.54 C ATOM 1427 C LEU A 85 21.966 19.584 23.850 1.00 64.55 C ATOM 1428 O LEU A 85 22.212 19.774 22.659 1.00 55.51 O ATOM 1429 CB LEU A 85 19.654 19.292 24.758 1.00 22.23 C ATOM 1430 CG LEU A 85 19.843 18.312 25.917 1.00 74.32 C ATOM 1431 CD1 LEU A 85 20.020 19.062 27.228 1.00 53.34 C ATOM 1432 CD2 LEU A 85 18.662 17.355 26.003 1.00 24.02 C ATOM 0 H LEU A 85 19.403 21.283 23.316 1.00 34.12 H new ATOM 0 HA LEU A 85 21.132 20.670 25.489 1.00 0.54 H new ATOM 0 HB2 LEU A 85 18.737 19.856 24.931 1.00 22.23 H new ATOM 0 HB3 LEU A 85 19.508 18.718 23.843 1.00 22.23 H new ATOM 0 HG LEU A 85 20.745 17.729 25.732 1.00 74.32 H new ATOM 0 HD11 LEU A 85 20.153 18.348 28.041 1.00 53.34 H new ATOM 0 HD12 LEU A 85 20.897 19.706 27.163 1.00 53.34 H new ATOM 0 HD13 LEU A 85 19.137 19.671 27.421 1.00 53.34 H new ATOM 0 HD21 LEU A 85 18.813 16.665 26.833 1.00 24.02 H new ATOM 0 HD22 LEU A 85 17.745 17.922 26.165 1.00 24.02 H new ATOM 0 HD23 LEU A 85 18.581 16.792 25.073 1.00 24.02 H new ATOM 1444 N GLU A 86 22.686 18.769 24.616 1.00 55.51 N ATOM 1445 CA GLU A 86 23.831 18.038 24.088 1.00 41.01 C ATOM 1446 C GLU A 86 23.444 16.606 23.730 1.00 23.21 C ATOM 1447 O GLU A 86 22.805 15.909 24.517 1.00 53.12 O ATOM 1448 CB GLU A 86 24.973 18.030 25.106 1.00 10.34 C ATOM 1449 CG GLU A 86 25.706 19.357 25.209 1.00 13.44 C ATOM 1450 CD GLU A 86 26.465 19.505 26.514 1.00 62.24 C ATOM 1451 OE1 GLU A 86 25.871 19.241 27.580 1.00 41.42 O ATOM 1452 OE2 GLU A 86 27.654 19.884 26.467 1.00 24.52 O ATOM 0 H GLU A 86 22.496 18.599 25.604 1.00 55.51 H new ATOM 0 HA GLU A 86 24.165 18.543 23.182 1.00 41.01 H new ATOM 0 HB2 GLU A 86 24.573 17.768 26.086 1.00 10.34 H new ATOM 0 HB3 GLU A 86 25.685 17.251 24.834 1.00 10.34 H new ATOM 0 HG2 GLU A 86 26.403 19.449 24.376 1.00 13.44 H new ATOM 0 HG3 GLU A 86 24.989 20.172 25.116 1.00 13.44 H new ATOM 1459 N GLY A 87 23.837 16.174 22.536 1.00 64.53 N ATOM 1460 CA GLY A 87 23.523 14.828 22.093 1.00 34.34 C ATOM 1461 C GLY A 87 24.640 14.209 21.278 1.00 45.13 C ATOM 1462 O GLY A 87 24.400 13.331 20.449 1.00 10.55 O ATOM 0 H GLY A 87 24.367 16.732 21.867 1.00 64.53 H new ATOM 0 HA2 GLY A 87 23.321 14.201 22.962 1.00 34.34 H new ATOM 0 HA3 GLY A 87 22.611 14.849 21.496 1.00 34.34 H new ATOM 1466 N GLU A 88 25.866 14.669 21.511 1.00 32.23 N ATOM 1467 CA GLU A 88 27.024 14.156 20.789 1.00 20.31 C ATOM 1468 C GLU A 88 27.792 13.148 21.639 1.00 63.41 C ATOM 1469 O GLU A 88 27.760 13.182 22.869 1.00 13.12 O ATOM 1470 CB GLU A 88 27.948 15.305 20.381 1.00 64.41 C ATOM 1471 CG GLU A 88 28.764 15.868 21.532 1.00 1.14 C ATOM 1472 CD GLU A 88 29.663 17.013 21.106 1.00 74.43 C ATOM 1473 OE1 GLU A 88 29.847 17.198 19.884 1.00 31.33 O ATOM 1474 OE2 GLU A 88 30.182 17.723 21.992 1.00 34.51 O ATOM 0 H GLU A 88 26.082 15.395 22.194 1.00 32.23 H new ATOM 0 HA GLU A 88 26.667 13.651 19.892 1.00 20.31 H new ATOM 0 HB2 GLU A 88 28.626 14.956 19.603 1.00 64.41 H new ATOM 0 HB3 GLU A 88 27.349 16.105 19.946 1.00 64.41 H new ATOM 0 HG2 GLU A 88 28.090 16.213 22.316 1.00 1.14 H new ATOM 0 HG3 GLU A 88 29.373 15.074 21.963 1.00 1.14 H new ATOM 1481 N PRO A 89 28.500 12.227 20.968 1.00 24.22 N ATOM 1482 CA PRO A 89 29.290 11.191 21.641 1.00 44.32 C ATOM 1483 C PRO A 89 30.516 11.763 22.345 1.00 42.22 C ATOM 1484 O PRO A 89 30.671 12.980 22.454 1.00 34.33 O ATOM 1485 CB PRO A 89 29.714 10.268 20.495 1.00 12.34 C ATOM 1486 CG PRO A 89 29.694 11.135 19.284 1.00 70.44 C ATOM 1487 CD PRO A 89 28.585 12.126 19.501 1.00 14.15 C ATOM 0 HA PRO A 89 28.721 10.689 22.423 1.00 44.32 H new ATOM 0 HB2 PRO A 89 30.707 9.852 20.668 1.00 12.34 H new ATOM 0 HB3 PRO A 89 29.030 9.426 20.391 1.00 12.34 H new ATOM 0 HG2 PRO A 89 30.650 11.642 19.152 1.00 70.44 H new ATOM 0 HG3 PRO A 89 29.519 10.545 18.385 1.00 70.44 H new ATOM 0 HD2 PRO A 89 28.812 13.089 19.044 1.00 14.15 H new ATOM 0 HD3 PRO A 89 27.647 11.781 19.067 1.00 14.15 H new ATOM 1495 N VAL A 90 31.386 10.878 22.821 1.00 44.23 N ATOM 1496 CA VAL A 90 32.600 11.295 23.513 1.00 11.30 C ATOM 1497 C VAL A 90 33.812 11.220 22.591 1.00 12.22 C ATOM 1498 O VAL A 90 34.334 10.138 22.324 1.00 2.35 O ATOM 1499 CB VAL A 90 32.862 10.428 24.759 1.00 54.13 C ATOM 1500 CG1 VAL A 90 34.017 10.994 25.570 1.00 22.21 C ATOM 1501 CG2 VAL A 90 31.604 10.323 25.608 1.00 10.21 C ATOM 0 H VAL A 90 31.273 9.868 22.740 1.00 44.23 H new ATOM 0 HA VAL A 90 32.447 12.328 23.824 1.00 11.30 H new ATOM 0 HB VAL A 90 33.137 9.425 24.432 1.00 54.13 H new ATOM 0 HG11 VAL A 90 34.187 10.368 26.446 1.00 22.21 H new ATOM 0 HG12 VAL A 90 34.918 11.012 24.957 1.00 22.21 H new ATOM 0 HG13 VAL A 90 33.775 12.008 25.889 1.00 22.21 H new ATOM 0 HG21 VAL A 90 31.807 9.707 26.484 1.00 10.21 H new ATOM 0 HG22 VAL A 90 31.297 11.319 25.928 1.00 10.21 H new ATOM 0 HG23 VAL A 90 30.806 9.868 25.021 1.00 10.21 H new ATOM 1511 N GLN A 91 34.254 12.377 22.108 1.00 33.14 N ATOM 1512 CA GLN A 91 35.405 12.442 21.216 1.00 72.33 C ATOM 1513 C GLN A 91 36.122 13.781 21.349 1.00 41.04 C ATOM 1514 O GLN A 91 35.669 14.669 22.071 1.00 60.34 O ATOM 1515 CB GLN A 91 34.966 12.227 19.766 1.00 35.33 C ATOM 1516 CG GLN A 91 34.123 13.364 19.211 1.00 65.23 C ATOM 1517 CD GLN A 91 33.344 12.962 17.974 1.00 14.43 C ATOM 1518 OE1 GLN A 91 33.447 11.830 17.501 1.00 11.15 O ATOM 1519 NE2 GLN A 91 32.557 13.891 17.443 1.00 33.30 N ATOM 0 H GLN A 91 33.832 13.281 22.320 1.00 33.14 H new ATOM 0 HA GLN A 91 36.098 11.650 21.500 1.00 72.33 H new ATOM 0 HB2 GLN A 91 35.851 12.103 19.142 1.00 35.33 H new ATOM 0 HB3 GLN A 91 34.398 11.299 19.701 1.00 35.33 H new ATOM 0 HG2 GLN A 91 33.428 13.705 19.979 1.00 65.23 H new ATOM 0 HG3 GLN A 91 34.770 14.207 18.970 1.00 65.23 H new ATOM 0 HE21 GLN A 91 32.502 14.817 17.868 1.00 33.30 H new ATOM 0 HE22 GLN A 91 32.008 13.679 16.610 1.00 33.30 H new ATOM 1528 N GLN A 92 37.243 13.919 20.648 1.00 60.52 N ATOM 1529 CA GLN A 92 38.023 15.150 20.689 1.00 21.32 C ATOM 1530 C GLN A 92 37.507 16.156 19.666 1.00 62.34 C ATOM 1531 O GLN A 92 36.576 15.869 18.913 1.00 20.44 O ATOM 1532 CB GLN A 92 39.501 14.851 20.429 1.00 54.33 C ATOM 1533 CG GLN A 92 39.800 14.475 18.987 1.00 61.13 C ATOM 1534 CD GLN A 92 41.278 14.245 18.738 1.00 31.25 C ATOM 1535 OE1 GLN A 92 42.107 14.448 19.626 1.00 61.42 O ATOM 1536 NE2 GLN A 92 41.616 13.819 17.527 1.00 34.40 N ATOM 0 H GLN A 92 37.631 13.194 20.045 1.00 60.52 H new ATOM 0 HA GLN A 92 37.917 15.585 21.683 1.00 21.32 H new ATOM 0 HB2 GLN A 92 40.093 15.726 20.698 1.00 54.33 H new ATOM 0 HB3 GLN A 92 39.819 14.038 21.081 1.00 54.33 H new ATOM 0 HG2 GLN A 92 39.247 13.572 18.729 1.00 61.13 H new ATOM 0 HG3 GLN A 92 39.443 15.266 18.328 1.00 61.13 H new ATOM 0 HE21 GLN A 92 40.896 13.664 16.821 1.00 34.40 H new ATOM 0 HE22 GLN A 92 42.596 13.647 17.302 1.00 34.40 H new ATOM 1545 N SER A 93 38.118 17.336 19.643 1.00 21.02 N ATOM 1546 CA SER A 93 37.718 18.387 18.715 1.00 75.54 C ATOM 1547 C SER A 93 36.252 18.758 18.915 1.00 55.52 C ATOM 1548 O SER A 93 35.895 19.411 19.894 1.00 11.41 O ATOM 1549 CB SER A 93 37.949 17.936 17.271 1.00 34.20 C ATOM 1550 OG SER A 93 37.085 18.619 16.379 1.00 34.41 O ATOM 0 H SER A 93 38.892 17.588 20.257 1.00 21.02 H new ATOM 0 HA SER A 93 38.329 19.267 18.916 1.00 75.54 H new ATOM 0 HB2 SER A 93 38.986 18.120 16.991 1.00 34.20 H new ATOM 0 HB3 SER A 93 37.784 16.862 17.191 1.00 34.20 H new ATOM 0 HG SER A 93 37.253 18.314 15.463 1.00 34.41 H new TER 1556 SER A 93