USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 689 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot 79:sc= -0.0106 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= -0.142 USER MOD Set 4.1: A 9 ASN : amide:sc= -0.0614 K(o=-0.71,f=1.5) USER MOD Set 4.2: A 71 ASN : amide:sc= -0.648 K(o=-0.71,f=1.5) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 1 HIS : no HE2:sc= 0.00161 K(o=0.0016,f=-1.4) USER MOD Single : A 2 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=-0.19) USER MOD Single : A 3 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.048) USER MOD Single : A 4 HIS : no HD1:sc= -0.0858 X(o=-0.086,f=-0.34) USER MOD Single : A 5 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.0072) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 MET CE :methyl 154:sc= -0.253 (180deg=-1.04) USER MOD Single : A -2 MET N :NH3+ 155:sc= 0.455 (180deg=0.197) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.329 USER MOD Single : A 13 LYS NZ :NH3+ -113:sc= 1.22 (180deg=-0.183) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -78:sc= 0.219 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.89) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0929 USER MOD Single : A 36 THR OG1 : rot 142:sc= 0.684! USER MOD Single : A 41 ASN : amide:sc= -2.39 K(o=-2.4,f=-4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -150:sc= 0.0136 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= -0.0849 (180deg=-0.534) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 79 GLN : amide:sc= -0.0657 K(o=-0.066,f=-2.1!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -12.347 -23.227 -3.092 1.00 54.25 N ATOM 2 CA MET A -2 -13.771 -23.531 -3.017 1.00 24.12 C ATOM 3 C MET A -2 -14.358 -23.065 -1.689 1.00 52.04 C ATOM 4 O MET A -2 -14.387 -23.815 -0.715 1.00 72.11 O ATOM 5 CB MET A -2 -14.003 -25.033 -3.192 1.00 25.32 C ATOM 6 CG MET A -2 -13.978 -25.488 -4.642 1.00 3.42 C ATOM 7 SD MET A -2 -12.305 -25.778 -5.250 1.00 45.21 S ATOM 8 CE MET A -2 -11.812 -27.167 -4.232 1.00 34.12 C ATOM 0 H1 MET A -2 -11.886 -23.885 -3.753 1.00 54.25 H new ATOM 0 H2 MET A -2 -12.218 -22.251 -3.428 1.00 54.25 H new ATOM 0 H3 MET A -2 -11.920 -23.328 -2.149 1.00 54.25 H new ATOM 0 HA MET A -2 -14.274 -22.996 -3.823 1.00 24.12 H new ATOM 0 HB2 MET A -2 -13.240 -25.577 -2.636 1.00 25.32 H new ATOM 0 HB3 MET A -2 -14.965 -25.297 -2.754 1.00 25.32 H new ATOM 0 HG2 MET A -2 -14.560 -26.404 -4.741 1.00 3.42 H new ATOM 0 HG3 MET A -2 -14.461 -24.734 -5.264 1.00 3.42 H new ATOM 0 HE1 MET A -2 -11.050 -27.747 -4.753 1.00 34.12 H new ATOM 0 HE2 MET A -2 -11.408 -26.801 -3.288 1.00 34.12 H new ATOM 0 HE3 MET A -2 -12.678 -27.799 -4.035 1.00 34.12 H new ATOM 18 N GLY A -1 -14.825 -21.820 -1.658 1.00 1.43 N ATOM 19 CA GLY A -1 -15.403 -21.275 -0.444 1.00 13.04 C ATOM 20 C GLY A -1 -15.315 -19.763 -0.386 1.00 33.14 C ATOM 21 O GLY A -1 -16.324 -19.082 -0.198 1.00 21.25 O ATOM 0 H GLY A -1 -14.813 -21.180 -2.452 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -16.448 -21.578 -0.376 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -14.891 -21.699 0.420 1.00 13.04 H new ATOM 25 N HIS A 0 -14.106 -19.235 -0.548 1.00 34.31 N ATOM 26 CA HIS A 0 -13.889 -17.794 -0.513 1.00 13.52 C ATOM 27 C HIS A 0 -14.488 -17.185 0.751 1.00 25.41 C ATOM 28 O HIS A 0 -15.187 -16.173 0.696 1.00 53.23 O ATOM 29 CB HIS A 0 -14.501 -17.135 -1.749 1.00 25.24 C ATOM 30 CG HIS A 0 -13.811 -15.870 -2.158 1.00 1.03 C ATOM 31 ND1 HIS A 0 -14.416 -14.631 -2.105 1.00 45.34 N ATOM 32 CD2 HIS A 0 -12.559 -15.656 -2.625 1.00 43.03 C ATOM 33 CE1 HIS A 0 -13.566 -13.712 -2.525 1.00 10.13 C ATOM 34 NE2 HIS A 0 -12.431 -14.307 -2.846 1.00 75.12 N ATOM 0 H HIS A 0 -13.261 -19.785 -0.705 1.00 34.31 H new ATOM 0 HA HIS A 0 -12.814 -17.613 -0.508 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -14.470 -17.840 -2.579 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -15.551 -16.919 -1.553 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -11.801 -16.407 -2.793 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -13.765 -12.653 -2.594 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -11.596 -13.840 -3.200 1.00 75.12 H new ATOM 42 N HIS A 1 -14.210 -17.810 1.892 1.00 21.22 N ATOM 43 CA HIS A 1 -14.721 -17.329 3.172 1.00 52.03 C ATOM 44 C HIS A 1 -13.865 -16.185 3.704 1.00 62.11 C ATOM 45 O HIS A 1 -12.691 -16.059 3.354 1.00 54.41 O ATOM 46 CB HIS A 1 -14.761 -18.468 4.189 1.00 31.50 C ATOM 47 CG HIS A 1 -13.437 -19.140 4.388 1.00 2.14 C ATOM 48 ND1 HIS A 1 -12.496 -18.695 5.293 1.00 14.01 N ATOM 49 CD2 HIS A 1 -12.900 -20.231 3.795 1.00 4.13 C ATOM 50 CE1 HIS A 1 -11.437 -19.482 5.246 1.00 32.44 C ATOM 51 NE2 HIS A 1 -11.656 -20.422 4.345 1.00 32.12 N ATOM 0 H HIS A 1 -13.634 -18.650 1.956 1.00 21.22 H new ATOM 0 HA HIS A 1 -15.734 -16.957 3.014 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -15.109 -18.078 5.146 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -15.490 -19.210 3.863 1.00 31.50 H new ATOM 0 HD1 HIS A 1 -12.602 -17.885 5.903 1.00 14.01 H new ATOM 0 HD2 HIS A 1 -13.363 -20.838 3.032 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -10.543 -19.375 5.843 1.00 32.44 H new ATOM 59 N HIS A 2 -14.460 -15.351 4.551 1.00 33.54 N ATOM 60 CA HIS A 2 -13.751 -14.216 5.132 1.00 24.03 C ATOM 61 C HIS A 2 -12.441 -14.665 5.774 1.00 63.52 C ATOM 62 O HIS A 2 -12.291 -15.826 6.153 1.00 4.20 O ATOM 63 CB HIS A 2 -14.629 -13.517 6.170 1.00 32.11 C ATOM 64 CG HIS A 2 -14.328 -12.057 6.324 1.00 2.22 C ATOM 65 ND1 HIS A 2 -14.304 -11.178 5.262 1.00 55.23 N ATOM 66 CD2 HIS A 2 -14.037 -11.324 7.424 1.00 45.43 C ATOM 67 CE1 HIS A 2 -14.012 -9.967 5.701 1.00 2.54 C ATOM 68 NE2 HIS A 2 -13.846 -10.029 7.011 1.00 72.04 N ATOM 0 H HIS A 2 -15.431 -15.440 4.850 1.00 33.54 H new ATOM 0 HA HIS A 2 -13.520 -13.514 4.331 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -15.675 -13.636 5.888 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -14.500 -14.010 7.134 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -13.968 -11.690 8.438 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -13.924 -9.078 5.094 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -13.614 -9.242 7.617 1.00 72.04 H new ATOM 76 N HIS A 3 -11.498 -13.736 5.893 1.00 13.21 N ATOM 77 CA HIS A 3 -10.201 -14.037 6.489 1.00 42.42 C ATOM 78 C HIS A 3 -10.295 -14.057 8.012 1.00 63.20 C ATOM 79 O HIS A 3 -10.006 -15.072 8.648 1.00 2.02 O ATOM 80 CB HIS A 3 -9.161 -13.007 6.045 1.00 1.22 C ATOM 81 CG HIS A 3 -8.527 -13.326 4.727 1.00 65.11 C ATOM 82 ND1 HIS A 3 -7.759 -12.423 4.022 1.00 71.31 N ATOM 83 CD2 HIS A 3 -8.550 -14.458 3.984 1.00 41.43 C ATOM 84 CE1 HIS A 3 -7.338 -12.986 2.903 1.00 65.21 C ATOM 85 NE2 HIS A 3 -7.803 -14.221 2.856 1.00 12.34 N ATOM 0 H HIS A 3 -11.607 -12.770 5.585 1.00 13.21 H new ATOM 0 HA HIS A 3 -9.892 -15.025 6.148 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -9.635 -12.028 5.983 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -8.383 -12.937 6.806 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -9.061 -15.377 4.232 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -6.718 -12.516 2.154 1.00 65.21 H new ATOM 0 HE2 HIS A 3 -7.635 -14.890 2.105 1.00 12.34 H new ATOM 93 N HIS A 4 -10.699 -12.932 8.590 1.00 40.35 N ATOM 94 CA HIS A 4 -10.831 -12.821 10.040 1.00 22.10 C ATOM 95 C HIS A 4 -9.517 -13.166 10.732 1.00 74.02 C ATOM 96 O HIS A 4 -9.483 -13.982 11.652 1.00 44.32 O ATOM 97 CB HIS A 4 -11.943 -13.742 10.543 1.00 1.30 C ATOM 98 CG HIS A 4 -12.629 -13.235 11.774 1.00 5.31 C ATOM 99 ND1 HIS A 4 -13.071 -11.936 11.908 1.00 64.23 N ATOM 100 CD2 HIS A 4 -12.950 -13.861 12.930 1.00 51.54 C ATOM 101 CE1 HIS A 4 -13.632 -11.784 13.094 1.00 54.22 C ATOM 102 NE2 HIS A 4 -13.572 -12.939 13.734 1.00 4.14 N ATOM 0 H HIS A 4 -10.941 -12.083 8.078 1.00 40.35 H new ATOM 0 HA HIS A 4 -11.088 -11.789 10.280 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -12.682 -13.871 9.752 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -11.523 -14.726 10.750 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -12.753 -14.894 13.174 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -14.066 -10.872 13.476 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -13.930 -13.116 14.673 1.00 4.14 H new ATOM 110 N HIS A 5 -8.435 -12.535 10.284 1.00 60.24 N ATOM 111 CA HIS A 5 -7.116 -12.775 10.861 1.00 11.12 C ATOM 112 C HIS A 5 -6.814 -11.766 11.965 1.00 33.24 C ATOM 113 O HIS A 5 -6.219 -10.717 11.716 1.00 12.22 O ATOM 114 CB HIS A 5 -6.041 -12.701 9.777 1.00 22.12 C ATOM 115 CG HIS A 5 -5.946 -13.939 8.941 1.00 33.15 C ATOM 116 ND1 HIS A 5 -5.562 -13.926 7.616 1.00 43.31 N ATOM 117 CD2 HIS A 5 -6.187 -15.235 9.247 1.00 2.04 C ATOM 118 CE1 HIS A 5 -5.573 -15.160 7.144 1.00 73.02 C ATOM 119 NE2 HIS A 5 -5.947 -15.973 8.115 1.00 44.41 N ATOM 0 H HIS A 5 -8.446 -11.855 9.524 1.00 60.24 H new ATOM 0 HA HIS A 5 -7.113 -13.774 11.297 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -6.249 -11.850 9.128 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -5.075 -12.515 10.247 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -6.509 -15.618 10.204 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -5.319 -15.454 6.136 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -6.042 -16.986 8.036 1.00 44.41 H new ATOM 127 N THR A 6 -7.232 -12.089 13.185 1.00 44.42 N ATOM 128 CA THR A 6 -7.008 -11.210 14.327 1.00 11.22 C ATOM 129 C THR A 6 -5.921 -11.763 15.241 1.00 23.31 C ATOM 130 O THR A 6 -5.814 -12.974 15.433 1.00 44.55 O ATOM 131 CB THR A 6 -8.298 -11.010 15.143 1.00 11.30 C ATOM 132 OG1 THR A 6 -9.420 -10.881 14.263 1.00 25.35 O ATOM 133 CG2 THR A 6 -8.194 -9.775 16.024 1.00 51.53 C ATOM 0 H THR A 6 -7.727 -12.952 13.408 1.00 44.42 H new ATOM 0 HA THR A 6 -6.688 -10.248 13.928 1.00 11.22 H new ATOM 0 HB THR A 6 -8.437 -11.882 15.782 1.00 11.30 H new ATOM 0 HG1 THR A 6 -10.237 -10.756 14.790 1.00 25.35 H new ATOM 0 HG21 THR A 6 -9.117 -9.654 16.591 1.00 51.53 H new ATOM 0 HG22 THR A 6 -7.357 -9.889 16.713 1.00 51.53 H new ATOM 0 HG23 THR A 6 -8.033 -8.896 15.400 1.00 51.53 H new ATOM 141 N LYS A 7 -5.117 -10.868 15.805 1.00 74.22 N ATOM 142 CA LYS A 7 -4.038 -11.264 16.702 1.00 52.34 C ATOM 143 C LYS A 7 -4.592 -11.732 18.044 1.00 44.13 C ATOM 144 O LYS A 7 -5.111 -10.935 18.824 1.00 11.03 O ATOM 145 CB LYS A 7 -3.069 -10.100 16.916 1.00 74.23 C ATOM 146 CG LYS A 7 -2.600 -9.453 15.623 1.00 71.23 C ATOM 147 CD LYS A 7 -1.870 -8.147 15.886 1.00 12.54 C ATOM 148 CE LYS A 7 -2.835 -6.975 15.963 1.00 45.02 C ATOM 149 NZ LYS A 7 -2.165 -5.735 16.443 1.00 71.41 N1+ ATOM 0 H LYS A 7 -5.193 -9.862 15.656 1.00 74.22 H new ATOM 0 HA LYS A 7 -3.502 -12.093 16.240 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -3.553 -9.345 17.536 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -2.201 -10.458 17.469 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -1.941 -10.138 15.090 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -3.457 -9.268 14.976 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -1.312 -8.222 16.819 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -1.143 -7.969 15.094 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -3.268 -6.796 14.979 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -3.658 -7.226 16.633 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 -2.857 -4.959 16.481 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -1.774 -5.897 17.393 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 -1.396 -5.481 15.790 1.00 71.41 H new ATOM 163 N GLY A 8 -4.476 -13.030 18.309 1.00 4.54 N ATOM 164 CA GLY A 8 -4.968 -13.580 19.558 1.00 1.12 C ATOM 165 C GLY A 8 -6.467 -13.415 19.713 1.00 12.44 C ATOM 166 O GLY A 8 -6.950 -12.326 20.021 1.00 42.34 O ATOM 0 H GLY A 8 -4.050 -13.710 17.680 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -4.715 -14.639 19.610 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.464 -13.090 20.391 1.00 1.12 H new ATOM 170 N ASN A 9 -7.205 -14.499 19.498 1.00 51.20 N ATOM 171 CA ASN A 9 -8.658 -14.470 19.613 1.00 63.11 C ATOM 172 C ASN A 9 -9.155 -15.585 20.528 1.00 4.24 C ATOM 173 O ASN A 9 -8.833 -16.756 20.327 1.00 20.25 O ATOM 174 CB ASN A 9 -9.303 -14.601 18.232 1.00 62.31 C ATOM 175 CG ASN A 9 -10.762 -15.011 18.312 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.183 -15.976 17.674 1.00 73.41 O ATOM 177 ND2 ASN A 9 -11.540 -14.276 19.098 1.00 54.03 N ATOM 0 H ASN A 9 -6.820 -15.409 19.243 1.00 51.20 H new ATOM 0 HA ASN A 9 -8.943 -13.513 20.050 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.224 -13.650 17.705 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -8.753 -15.337 17.645 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -12.530 -14.503 19.192 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.148 -13.485 19.608 1.00 54.03 H new ATOM 184 N VAL A 10 -9.941 -15.213 21.533 1.00 11.42 N ATOM 185 CA VAL A 10 -10.484 -16.182 22.478 1.00 24.54 C ATOM 186 C VAL A 10 -11.991 -16.333 22.306 1.00 65.31 C ATOM 187 O VAL A 10 -12.735 -15.353 22.362 1.00 73.33 O ATOM 188 CB VAL A 10 -10.181 -15.777 23.932 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.817 -16.761 24.903 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.679 -15.687 24.159 1.00 42.41 C ATOM 0 H VAL A 10 -10.216 -14.248 21.714 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.001 -17.136 22.267 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.612 -14.792 24.114 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.593 -16.459 25.926 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.897 -16.771 24.756 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.418 -17.759 24.723 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.484 -15.400 25.192 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.222 -16.656 23.959 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.254 -14.941 23.488 1.00 42.41 H new ATOM 200 N THR A 11 -12.437 -17.568 22.098 1.00 10.10 N ATOM 201 CA THR A 11 -13.856 -17.847 21.918 1.00 34.03 C ATOM 202 C THR A 11 -14.321 -18.960 22.851 1.00 20.04 C ATOM 203 O THR A 11 -13.522 -19.537 23.589 1.00 73.43 O ATOM 204 CB THR A 11 -14.169 -18.248 20.464 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.012 -18.832 19.856 1.00 45.23 O ATOM 206 CG2 THR A 11 -14.619 -17.041 19.654 1.00 3.03 C ATOM 0 H THR A 11 -11.836 -18.391 22.050 1.00 10.10 H new ATOM 0 HA THR A 11 -14.391 -16.928 22.158 1.00 34.03 H new ATOM 0 HB THR A 11 -14.978 -18.978 20.479 1.00 22.23 H new ATOM 0 HG1 THR A 11 -12.479 -19.290 20.539 1.00 45.23 H new ATOM 0 HG21 THR A 11 -14.834 -17.349 18.631 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.518 -16.617 20.102 1.00 3.03 H new ATOM 0 HG23 THR A 11 -13.828 -16.291 19.648 1.00 3.03 H new ATOM 214 N SER A 12 -15.615 -19.256 22.812 1.00 72.20 N ATOM 215 CA SER A 12 -16.187 -20.298 23.658 1.00 63.13 C ATOM 216 C SER A 12 -16.243 -21.629 22.915 1.00 64.31 C ATOM 217 O SER A 12 -16.169 -21.673 21.687 1.00 41.10 O ATOM 218 CB SER A 12 -17.590 -19.898 24.118 1.00 31.13 C ATOM 219 OG SER A 12 -17.881 -20.440 25.395 1.00 24.24 O ATOM 0 H SER A 12 -16.288 -18.790 22.204 1.00 72.20 H new ATOM 0 HA SER A 12 -15.546 -20.416 24.532 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.669 -18.811 24.154 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.327 -20.247 23.395 1.00 31.13 H new ATOM 0 HG SER A 12 -18.783 -20.169 25.668 1.00 24.24 H new ATOM 225 N LYS A 13 -16.375 -22.715 23.670 1.00 44.22 N ATOM 226 CA LYS A 13 -16.443 -24.049 23.086 1.00 60.22 C ATOM 227 C LYS A 13 -17.883 -24.552 23.043 1.00 54.30 C ATOM 228 O LYS A 13 -18.163 -25.618 22.493 1.00 2.34 O ATOM 229 CB LYS A 13 -15.576 -25.024 23.887 1.00 51.22 C ATOM 230 CG LYS A 13 -15.491 -26.410 23.272 1.00 2.31 C ATOM 231 CD LYS A 13 -16.401 -27.393 23.987 1.00 13.33 C ATOM 232 CE LYS A 13 -16.676 -28.622 23.133 1.00 53.45 C ATOM 233 NZ LYS A 13 -17.755 -28.375 22.137 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.437 -22.697 24.688 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.066 -23.990 22.065 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -14.570 -24.613 23.977 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -15.977 -25.108 24.897 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -15.765 -26.359 22.218 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.462 -26.767 23.317 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -15.942 -27.698 24.927 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -17.343 -26.904 24.236 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -15.763 -28.916 22.614 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -16.959 -29.455 23.776 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -18.586 -28.954 22.374 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -18.018 -27.369 22.153 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -17.416 -28.629 21.187 1.00 51.21 H new ATOM 247 N THR A 14 -18.793 -23.777 23.625 1.00 41.41 N ATOM 248 CA THR A 14 -20.203 -24.143 23.652 1.00 75.14 C ATOM 249 C THR A 14 -20.874 -23.849 22.315 1.00 53.42 C ATOM 250 O THR A 14 -21.418 -24.747 21.672 1.00 1.11 O ATOM 251 CB THR A 14 -20.957 -23.393 24.767 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.765 -21.982 24.625 1.00 34.11 O ATOM 253 CG2 THR A 14 -20.476 -23.840 26.139 1.00 0.42 C ATOM 0 H THR A 14 -18.578 -22.892 24.084 1.00 41.41 H new ATOM 0 HA THR A 14 -20.247 -25.214 23.850 1.00 75.14 H new ATOM 0 HB THR A 14 -22.018 -23.625 24.678 1.00 22.31 H new ATOM 0 HG1 THR A 14 -21.249 -21.513 25.337 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.022 -23.297 26.911 1.00 0.42 H new ATOM 0 HG22 THR A 14 -20.651 -24.910 26.255 1.00 0.42 H new ATOM 0 HG23 THR A 14 -19.410 -23.634 26.236 1.00 0.42 H new ATOM 261 N ASP A 15 -20.830 -22.588 21.901 1.00 13.30 N ATOM 262 CA ASP A 15 -21.432 -22.176 20.638 1.00 3.24 C ATOM 263 C ASP A 15 -20.377 -21.617 19.689 1.00 54.23 C ATOM 264 O ASP A 15 -20.537 -21.662 18.471 1.00 30.21 O ATOM 265 CB ASP A 15 -22.519 -21.129 20.885 1.00 34.54 C ATOM 266 CG ASP A 15 -23.894 -21.748 21.045 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.480 -21.618 22.141 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.384 -22.363 20.075 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.384 -21.833 22.421 1.00 13.30 H new ATOM 0 HA ASP A 15 -21.882 -23.054 20.175 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.274 -20.559 21.781 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -22.536 -20.424 20.054 1.00 34.54 H new ATOM 273 N GLY A 16 -19.295 -21.092 20.257 1.00 45.50 N ATOM 274 CA GLY A 16 -18.230 -20.531 19.448 1.00 13.14 C ATOM 275 C GLY A 16 -18.276 -19.017 19.397 1.00 50.04 C ATOM 276 O GLY A 16 -17.856 -18.410 18.412 1.00 53.34 O ATOM 0 H GLY A 16 -19.138 -21.046 21.264 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -17.268 -20.849 19.849 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -18.300 -20.928 18.435 1.00 13.14 H new ATOM 280 N GLN A 17 -18.789 -18.405 20.459 1.00 15.14 N ATOM 281 CA GLN A 17 -18.890 -16.953 20.530 1.00 71.43 C ATOM 282 C GLN A 17 -17.636 -16.349 21.151 1.00 32.32 C ATOM 283 O GLN A 17 -16.870 -17.022 21.843 1.00 12.20 O ATOM 284 CB GLN A 17 -20.122 -16.545 21.340 1.00 54.31 C ATOM 285 CG GLN A 17 -21.396 -16.467 20.515 1.00 63.40 C ATOM 286 CD GLN A 17 -22.467 -15.620 21.171 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.260 -14.436 21.441 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.621 -16.221 21.434 1.00 74.15 N ATOM 0 H GLN A 17 -19.141 -18.893 21.283 1.00 15.14 H new ATOM 0 HA GLN A 17 -18.989 -16.572 19.514 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.267 -17.260 22.150 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -19.938 -15.575 21.801 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.163 -16.055 19.533 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -21.782 -17.474 20.355 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -23.751 -17.204 21.194 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.378 -15.700 21.876 1.00 74.15 H new ATOM 297 N PRO A 18 -17.417 -15.049 20.901 1.00 51.11 N ATOM 298 CA PRO A 18 -16.255 -14.326 21.427 1.00 61.23 C ATOM 299 C PRO A 18 -16.333 -14.122 22.936 1.00 5.35 C ATOM 300 O PRO A 18 -17.398 -13.822 23.477 1.00 41.13 O ATOM 301 CB PRO A 18 -16.318 -12.979 20.702 1.00 11.54 C ATOM 302 CG PRO A 18 -17.755 -12.804 20.351 1.00 0.34 C ATOM 303 CD PRO A 18 -18.287 -14.186 20.085 1.00 14.12 C ATOM 0 HA PRO A 18 -15.326 -14.872 21.262 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.965 -12.169 21.340 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.690 -12.979 19.811 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.300 -12.326 21.165 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.868 -12.167 19.474 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.333 -14.277 20.378 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.229 -14.442 19.027 1.00 14.12 H new ATOM 311 N ILE A 19 -15.201 -14.287 23.610 1.00 51.31 N ATOM 312 CA ILE A 19 -15.142 -14.120 25.057 1.00 72.32 C ATOM 313 C ILE A 19 -14.785 -12.685 25.430 1.00 61.13 C ATOM 314 O ILE A 19 -13.621 -12.288 25.369 1.00 31.30 O ATOM 315 CB ILE A 19 -14.115 -15.075 25.693 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.450 -16.526 25.344 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.076 -14.883 27.201 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.772 -16.995 25.911 1.00 75.31 C ATOM 0 H ILE A 19 -14.311 -14.536 23.178 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.133 -14.358 25.443 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.129 -14.843 25.291 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.470 -16.635 24.260 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.655 -17.173 25.715 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.345 -15.565 27.636 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.794 -13.855 27.430 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.061 -15.091 27.620 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.944 -18.032 25.624 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.749 -16.919 26.998 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.577 -16.372 25.520 1.00 75.31 H new ATOM 330 N ILE A 20 -15.794 -11.913 25.819 1.00 0.14 N ATOM 331 CA ILE A 20 -15.586 -10.523 26.206 1.00 33.25 C ATOM 332 C ILE A 20 -15.386 -10.395 27.711 1.00 4.43 C ATOM 333 O ILE A 20 -16.056 -11.064 28.496 1.00 31.01 O ATOM 334 CB ILE A 20 -16.771 -9.636 25.779 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.172 -9.944 24.335 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.414 -8.165 25.934 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.299 -10.946 24.221 1.00 42.20 C ATOM 0 H ILE A 20 -16.763 -12.226 25.875 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.686 -10.184 25.693 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.621 -9.853 26.426 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -17.469 -9.018 23.844 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -16.303 -10.325 23.798 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.261 -7.551 25.628 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.172 -7.957 26.976 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.552 -7.932 25.308 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.530 -11.116 23.169 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -17.998 -11.886 24.683 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -19.183 -10.559 24.729 1.00 42.20 H new ATOM 349 N GLY A 21 -14.459 -9.528 28.109 1.00 4.13 N ATOM 350 CA GLY A 21 -14.188 -9.326 29.520 1.00 62.52 C ATOM 351 C GLY A 21 -13.379 -10.458 30.123 1.00 10.52 C ATOM 352 O GLY A 21 -13.535 -10.783 31.300 1.00 13.11 O ATOM 0 H GLY A 21 -13.891 -8.962 27.479 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.649 -8.388 29.653 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -15.131 -9.231 30.058 1.00 62.52 H new ATOM 356 N ALA A 22 -12.513 -11.060 29.315 1.00 14.24 N ATOM 357 CA ALA A 22 -11.677 -12.161 29.775 1.00 24.05 C ATOM 358 C ALA A 22 -10.341 -11.651 30.306 1.00 13.45 C ATOM 359 O ALA A 22 -9.943 -10.520 30.027 1.00 23.13 O ATOM 360 CB ALA A 22 -11.452 -13.160 28.650 1.00 63.11 C ATOM 0 H ALA A 22 -12.372 -10.803 28.338 1.00 14.24 H new ATOM 0 HA ALA A 22 -12.197 -12.662 30.592 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.826 -13.977 29.009 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -12.412 -13.557 28.319 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.957 -12.663 27.816 1.00 63.11 H new ATOM 366 N SER A 23 -9.655 -12.493 31.073 1.00 20.43 N ATOM 367 CA SER A 23 -8.366 -12.125 31.647 1.00 45.41 C ATOM 368 C SER A 23 -7.225 -12.831 30.918 1.00 32.33 C ATOM 369 O SER A 23 -7.026 -14.036 31.072 1.00 40.44 O ATOM 370 CB SER A 23 -8.328 -12.474 33.136 1.00 52.44 C ATOM 371 OG SER A 23 -9.425 -11.897 33.822 1.00 21.24 O ATOM 0 H SER A 23 -9.970 -13.433 31.311 1.00 20.43 H new ATOM 0 HA SER A 23 -8.238 -11.049 31.530 1.00 45.41 H new ATOM 0 HB2 SER A 23 -8.346 -13.557 33.260 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.394 -12.119 33.572 1.00 52.44 H new ATOM 0 HG SER A 23 -9.379 -12.136 34.771 1.00 21.24 H new ATOM 377 N VAL A 24 -6.478 -12.070 30.124 1.00 70.10 N ATOM 378 CA VAL A 24 -5.357 -12.620 29.372 1.00 11.40 C ATOM 379 C VAL A 24 -4.049 -11.938 29.757 1.00 21.15 C ATOM 380 O VAL A 24 -3.944 -10.711 29.728 1.00 75.44 O ATOM 381 CB VAL A 24 -5.573 -12.473 27.854 1.00 12.12 C ATOM 382 CG1 VAL A 24 -5.876 -11.026 27.495 1.00 65.33 C ATOM 383 CG2 VAL A 24 -4.356 -12.975 27.092 1.00 64.12 C ATOM 0 H VAL A 24 -6.629 -11.071 29.985 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.298 -13.679 29.622 1.00 11.40 H new ATOM 0 HB VAL A 24 -6.431 -13.081 27.566 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -6.026 -10.942 26.419 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -6.779 -10.704 28.013 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -5.040 -10.394 27.796 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -4.526 -12.864 26.021 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -3.480 -12.395 27.383 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -4.189 -14.026 27.325 1.00 64.12 H new ATOM 393 N VAL A 25 -3.052 -12.740 30.117 1.00 54.40 N ATOM 394 CA VAL A 25 -1.750 -12.214 30.506 1.00 74.22 C ATOM 395 C VAL A 25 -0.621 -13.079 29.957 1.00 74.52 C ATOM 396 O VAL A 25 -0.852 -14.194 29.489 1.00 52.34 O ATOM 397 CB VAL A 25 -1.615 -12.125 32.037 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.770 -11.333 32.630 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.544 -13.517 32.647 1.00 31.03 C ATOM 0 H VAL A 25 -3.122 -13.757 30.147 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.675 -11.212 30.083 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.688 -11.602 32.273 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.657 -11.281 33.713 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.770 -10.325 32.216 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.712 -11.825 32.386 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.449 -13.435 33.730 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.452 -14.068 32.403 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.680 -14.046 32.246 1.00 31.03 H new ATOM 409 N GLU A 26 0.601 -12.557 30.017 1.00 60.03 N ATOM 410 CA GLU A 26 1.766 -13.283 29.525 1.00 2.03 C ATOM 411 C GLU A 26 2.420 -14.084 30.646 1.00 74.12 C ATOM 412 O GLU A 26 2.652 -13.570 31.740 1.00 32.34 O ATOM 413 CB GLU A 26 2.780 -12.312 28.917 1.00 54.12 C ATOM 414 CG GLU A 26 3.827 -12.989 28.049 1.00 11.04 C ATOM 415 CD GLU A 26 4.852 -12.014 27.504 1.00 42.11 C ATOM 416 OE1 GLU A 26 5.927 -12.470 27.063 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.579 -10.795 27.518 1.00 73.20 O1- ATOM 0 H GLU A 26 0.809 -11.635 30.401 1.00 60.03 H new ATOM 0 HA GLU A 26 1.432 -13.977 28.754 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.248 -11.572 28.319 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.281 -11.772 29.721 1.00 54.12 H new ATOM 0 HG2 GLU A 26 4.336 -13.757 28.632 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.334 -13.494 27.218 1.00 11.04 H new ATOM 424 N THR A 27 2.717 -15.350 30.365 1.00 32.44 N ATOM 425 CA THR A 27 3.343 -16.225 31.349 1.00 21.42 C ATOM 426 C THR A 27 4.589 -15.579 31.945 1.00 43.23 C ATOM 427 O THR A 27 4.890 -15.759 33.125 1.00 52.43 O ATOM 428 CB THR A 27 3.728 -17.581 30.729 1.00 43.33 C ATOM 429 OG1 THR A 27 4.699 -17.389 29.695 1.00 43.23 O ATOM 430 CG2 THR A 27 2.505 -18.283 30.159 1.00 11.11 C ATOM 0 H THR A 27 2.534 -15.792 29.464 1.00 32.44 H new ATOM 0 HA THR A 27 2.610 -16.390 32.138 1.00 21.42 H new ATOM 0 HB THR A 27 4.153 -18.206 31.514 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.254 -17.061 28.886 1.00 43.23 H new ATOM 0 HG21 THR A 27 2.802 -19.238 29.727 1.00 11.11 H new ATOM 0 HG22 THR A 27 1.780 -18.455 30.955 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.055 -17.660 29.386 1.00 11.11 H new ATOM 438 N THR A 28 5.309 -14.824 31.122 1.00 30.42 N ATOM 439 CA THR A 28 6.523 -14.151 31.567 1.00 4.41 C ATOM 440 C THR A 28 6.233 -12.713 31.984 1.00 13.12 C ATOM 441 O THR A 28 6.990 -12.113 32.746 1.00 64.00 O ATOM 442 CB THR A 28 7.600 -14.148 30.467 1.00 64.03 C ATOM 443 OG1 THR A 28 7.012 -13.805 29.207 1.00 63.55 O ATOM 444 CG2 THR A 28 8.274 -15.508 30.365 1.00 20.21 C ATOM 0 H THR A 28 5.072 -14.663 30.143 1.00 30.42 H new ATOM 0 HA THR A 28 6.896 -14.708 32.427 1.00 4.41 H new ATOM 0 HB THR A 28 8.354 -13.406 30.730 1.00 64.03 H new ATOM 0 HG1 THR A 28 6.881 -12.835 29.160 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.031 -15.481 29.581 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.746 -15.753 31.317 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.529 -16.266 30.124 1.00 20.21 H new ATOM 452 N ALA A 29 5.133 -12.166 31.477 1.00 21.15 N ATOM 453 CA ALA A 29 4.742 -10.799 31.800 1.00 63.21 C ATOM 454 C ALA A 29 3.277 -10.731 32.217 1.00 61.33 C ATOM 455 O ALA A 29 2.394 -10.496 31.392 1.00 2.51 O ATOM 456 CB ALA A 29 4.996 -9.884 30.611 1.00 62.41 C ATOM 0 H ALA A 29 4.497 -12.648 30.841 1.00 21.15 H new ATOM 0 HA ALA A 29 5.348 -10.463 32.641 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.700 -8.866 30.865 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.056 -9.901 30.359 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.414 -10.228 29.756 1.00 62.41 H new ATOM 462 N THR A 30 3.024 -10.938 33.507 1.00 64.05 N ATOM 463 CA THR A 30 1.666 -10.902 34.035 1.00 52.03 C ATOM 464 C THR A 30 1.260 -9.482 34.411 1.00 44.32 C ATOM 465 O THR A 30 0.104 -9.092 34.248 1.00 33.44 O ATOM 466 CB THR A 30 1.519 -11.811 35.270 1.00 73.01 C ATOM 467 OG1 THR A 30 2.671 -11.684 36.111 1.00 1.52 O ATOM 468 CG2 THR A 30 1.345 -13.264 34.855 1.00 41.22 C ATOM 0 H THR A 30 3.743 -11.132 34.204 1.00 64.05 H new ATOM 0 HA THR A 30 1.010 -11.267 33.245 1.00 52.03 H new ATOM 0 HB THR A 30 0.632 -11.499 35.820 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.569 -12.263 36.895 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.243 -13.887 35.744 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.451 -13.362 34.239 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.216 -13.586 34.284 1.00 41.22 H new ATOM 476 N THR A 31 2.219 -8.711 34.916 1.00 20.21 N ATOM 477 CA THR A 31 1.961 -7.334 35.316 1.00 74.23 C ATOM 478 C THR A 31 1.318 -6.544 34.183 1.00 5.21 C ATOM 479 O THR A 31 0.540 -5.621 34.421 1.00 44.33 O ATOM 480 CB THR A 31 3.256 -6.624 35.751 1.00 70.21 C ATOM 481 OG1 THR A 31 4.151 -6.511 34.639 1.00 65.04 O ATOM 482 CG2 THR A 31 3.937 -7.382 36.881 1.00 32.33 C ATOM 0 H THR A 31 3.181 -9.018 35.057 1.00 20.21 H new ATOM 0 HA THR A 31 1.275 -7.374 36.162 1.00 74.23 H new ATOM 0 HB THR A 31 2.994 -5.628 36.109 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.971 -6.057 34.924 1.00 65.04 H new ATOM 0 HG21 THR A 31 4.849 -6.861 37.171 1.00 32.33 H new ATOM 0 HG22 THR A 31 3.265 -7.440 37.737 1.00 32.33 H new ATOM 0 HG23 THR A 31 4.185 -8.389 36.546 1.00 32.33 H new ATOM 490 N ASN A 32 1.646 -6.912 32.949 1.00 33.34 N ATOM 491 CA ASN A 32 1.099 -6.236 31.778 1.00 52.15 C ATOM 492 C ASN A 32 -0.144 -6.958 31.266 1.00 70.20 C ATOM 493 O ASN A 32 -0.424 -6.958 30.067 1.00 25.25 O ATOM 494 CB ASN A 32 2.151 -6.159 30.670 1.00 21.20 C ATOM 495 CG ASN A 32 1.731 -5.242 29.537 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.181 -4.165 29.768 1.00 74.30 O ATOM 497 ND2 ASN A 32 1.991 -5.665 28.306 1.00 53.21 N ATOM 0 H ASN A 32 2.288 -7.675 32.734 1.00 33.34 H new ATOM 0 HA ASN A 32 0.816 -5.225 32.071 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.092 -5.805 31.090 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.334 -7.159 30.276 1.00 21.20 H new ATOM 0 HD21 ASN A 32 1.733 -5.090 27.504 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.449 -6.565 28.162 1.00 53.21 H new ATOM 504 N GLY A 33 -0.887 -7.571 32.182 1.00 61.22 N ATOM 505 CA GLY A 33 -2.091 -8.287 31.803 1.00 53.12 C ATOM 506 C GLY A 33 -3.137 -7.378 31.189 1.00 52.44 C ATOM 507 O GLY A 33 -3.260 -6.213 31.570 1.00 13.13 O ATOM 0 H GLY A 33 -0.677 -7.585 33.180 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.834 -9.072 31.092 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.510 -8.777 32.682 1.00 53.12 H new ATOM 511 N THR A 34 -3.893 -7.909 30.233 1.00 73.43 N ATOM 512 CA THR A 34 -4.931 -7.138 29.563 1.00 24.51 C ATOM 513 C THR A 34 -6.215 -7.948 29.423 1.00 64.20 C ATOM 514 O THR A 34 -6.229 -9.153 29.674 1.00 40.52 O ATOM 515 CB THR A 34 -4.474 -6.677 28.166 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.380 -5.692 27.654 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.401 -7.853 27.204 1.00 1.21 C ATOM 0 H THR A 34 -3.805 -8.871 29.906 1.00 73.43 H new ATOM 0 HA THR A 34 -5.123 -6.262 30.183 1.00 24.51 H new ATOM 0 HB THR A 34 -3.479 -6.242 28.260 1.00 43.53 H new ATOM 0 HG1 THR A 34 -5.081 -5.403 26.766 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.076 -7.502 26.224 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.689 -8.588 27.581 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.385 -8.313 27.116 1.00 1.21 H new ATOM 525 N ILE A 35 -7.291 -7.279 29.022 1.00 53.35 N ATOM 526 CA ILE A 35 -8.579 -7.938 28.848 1.00 41.13 C ATOM 527 C ILE A 35 -8.931 -8.077 27.370 1.00 31.20 C ATOM 528 O ILE A 35 -8.423 -7.337 26.527 1.00 21.21 O ATOM 529 CB ILE A 35 -9.706 -7.169 29.562 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.681 -5.693 29.159 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.572 -7.315 31.070 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.854 -4.902 29.692 1.00 62.41 C ATOM 0 H ILE A 35 -7.296 -6.281 28.812 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.488 -8.929 29.292 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.664 -7.592 29.259 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.756 -5.242 29.518 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.669 -5.622 28.071 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -10.375 -6.766 31.561 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.634 -8.369 31.340 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.610 -6.914 31.390 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.771 -3.865 29.367 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.783 -5.328 29.312 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.855 -4.942 30.781 1.00 62.41 H new ATOM 544 N THR A 36 -9.804 -9.031 27.063 1.00 11.05 N ATOM 545 CA THR A 36 -10.225 -9.267 25.686 1.00 11.35 C ATOM 546 C THR A 36 -11.220 -8.207 25.227 1.00 20.04 C ATOM 547 O THR A 36 -11.968 -7.653 26.032 1.00 42.14 O ATOM 548 CB THR A 36 -10.864 -10.658 25.526 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.653 -10.972 26.678 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.796 -11.725 25.332 1.00 55.34 C ATOM 0 H THR A 36 -10.233 -9.653 27.748 1.00 11.05 H new ATOM 0 HA THR A 36 -9.329 -9.213 25.067 1.00 11.35 H new ATOM 0 HB THR A 36 -11.503 -10.639 24.643 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.466 -11.443 26.399 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.271 -12.700 25.221 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.216 -11.500 24.437 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.135 -11.740 26.199 1.00 55.34 H new ATOM 558 N ASP A 37 -11.225 -7.932 23.927 1.00 12.13 N ATOM 559 CA ASP A 37 -12.129 -6.939 23.359 1.00 12.53 C ATOM 560 C ASP A 37 -13.528 -7.520 23.177 1.00 15.53 C ATOM 561 O ASP A 37 -13.793 -8.661 23.560 1.00 0.31 O ATOM 562 CB ASP A 37 -11.594 -6.437 22.018 1.00 5.44 C ATOM 563 CG ASP A 37 -10.396 -5.522 22.179 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.231 -4.607 21.345 1.00 11.40 O ATOM 565 OD2 ASP A 37 -9.624 -5.719 23.140 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.613 -8.383 23.247 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.190 -6.101 24.053 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.316 -7.290 21.399 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.386 -5.905 21.490 1.00 5.44 H new ATOM 570 N PHE A 38 -14.420 -6.729 22.592 1.00 33.31 N ATOM 571 CA PHE A 38 -15.793 -7.164 22.361 1.00 53.25 C ATOM 572 C PHE A 38 -15.828 -8.396 21.461 1.00 61.41 C ATOM 573 O PHE A 38 -16.724 -9.234 21.572 1.00 72.12 O ATOM 574 CB PHE A 38 -16.609 -6.035 21.729 1.00 35.41 C ATOM 575 CG PHE A 38 -16.588 -4.762 22.526 1.00 23.40 C ATOM 576 CD1 PHE A 38 -16.970 -4.757 23.858 1.00 64.43 C ATOM 577 CD2 PHE A 38 -16.186 -3.571 21.944 1.00 13.51 C ATOM 578 CE1 PHE A 38 -16.952 -3.587 24.593 1.00 20.23 C ATOM 579 CE2 PHE A 38 -16.165 -2.398 22.675 1.00 23.43 C ATOM 580 CZ PHE A 38 -16.547 -2.406 24.002 1.00 34.05 C ATOM 0 H PHE A 38 -14.217 -5.783 22.269 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.232 -7.425 23.324 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.224 -5.835 20.729 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.641 -6.365 21.613 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -17.285 -5.677 24.327 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -15.885 -3.559 20.907 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -17.255 -3.596 25.630 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -15.850 -1.476 22.209 1.00 23.43 H new ATOM 0 HZ PHE A 38 -16.529 -1.491 24.576 1.00 34.05 H new ATOM 590 N ASP A 39 -14.849 -8.499 20.570 1.00 22.51 N ATOM 591 CA ASP A 39 -14.766 -9.629 19.651 1.00 30.24 C ATOM 592 C ASP A 39 -13.763 -10.664 20.151 1.00 3.40 C ATOM 593 O ASP A 39 -13.260 -11.479 19.378 1.00 20.40 O ATOM 594 CB ASP A 39 -14.369 -9.150 18.254 1.00 73.22 C ATOM 595 CG ASP A 39 -15.519 -9.224 17.269 1.00 23.23 C ATOM 596 OD1 ASP A 39 -15.734 -10.309 16.689 1.00 51.04 O ATOM 597 OD2 ASP A 39 -16.204 -8.198 17.077 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.101 -7.814 20.464 1.00 22.51 H new ATOM 0 HA ASP A 39 -15.749 -10.097 19.601 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -14.011 -8.122 18.313 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.540 -9.756 17.887 1.00 73.22 H new ATOM 602 N GLY A 40 -13.475 -10.624 21.448 1.00 73.03 N ATOM 603 CA GLY A 40 -12.533 -11.563 22.029 1.00 73.43 C ATOM 604 C GLY A 40 -11.136 -11.405 21.462 1.00 75.31 C ATOM 605 O GLY A 40 -10.366 -12.364 21.418 1.00 64.34 O ATOM 0 H GLY A 40 -13.877 -9.958 22.107 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -12.502 -11.421 23.109 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -12.882 -12.580 21.851 1.00 73.43 H new ATOM 609 N ASN A 41 -10.809 -10.194 21.025 1.00 12.43 N ATOM 610 CA ASN A 41 -9.495 -9.915 20.457 1.00 23.51 C ATOM 611 C ASN A 41 -8.647 -9.092 21.422 1.00 23.24 C ATOM 612 O ASN A 41 -9.158 -8.219 22.123 1.00 21.02 O ATOM 613 CB ASN A 41 -9.639 -9.174 19.126 1.00 52.24 C ATOM 614 CG ASN A 41 -10.010 -7.715 19.314 1.00 71.23 C ATOM 615 OD1 ASN A 41 -9.194 -6.909 19.762 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.246 -7.370 18.975 1.00 22.41 N ATOM 0 H ASN A 41 -11.436 -9.390 21.053 1.00 12.43 H new ATOM 0 HA ASN A 41 -8.993 -10.867 20.283 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.702 -9.240 18.573 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -10.401 -9.665 18.521 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.553 -6.403 19.082 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.889 -8.072 18.608 1.00 22.41 H new ATOM 623 N PHE A 42 -7.349 -9.375 21.451 1.00 71.21 N ATOM 624 CA PHE A 42 -6.431 -8.662 22.330 1.00 52.03 C ATOM 625 C PHE A 42 -5.071 -8.478 21.662 1.00 31.22 C ATOM 626 O PHE A 42 -4.742 -9.167 20.696 1.00 60.33 O ATOM 627 CB PHE A 42 -6.265 -9.417 23.650 1.00 2.54 C ATOM 628 CG PHE A 42 -5.918 -10.867 23.473 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.602 -11.293 23.553 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.907 -11.804 23.224 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.279 -12.627 23.390 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.591 -13.140 23.061 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.276 -13.551 23.142 1.00 22.53 C ATOM 0 H PHE A 42 -6.909 -10.093 20.876 1.00 71.21 H new ATOM 0 HA PHE A 42 -6.853 -7.678 22.533 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.485 -8.935 24.239 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.190 -9.340 24.222 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -3.819 -10.574 23.745 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.937 -11.487 23.156 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.249 -12.946 23.456 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.372 -13.861 22.871 1.00 3.45 H new ATOM 0 HZ PHE A 42 -5.026 -14.594 23.012 1.00 22.53 H new ATOM 643 N THR A 43 -4.284 -7.541 22.183 1.00 70.14 N ATOM 644 CA THR A 43 -2.962 -7.264 21.638 1.00 1.25 C ATOM 645 C THR A 43 -2.021 -6.735 22.715 1.00 72.34 C ATOM 646 O THR A 43 -2.350 -5.787 23.428 1.00 32.41 O ATOM 647 CB THR A 43 -3.031 -6.243 20.487 1.00 55.40 C ATOM 648 OG1 THR A 43 -1.709 -5.906 20.050 1.00 61.44 O ATOM 649 CG2 THR A 43 -3.764 -4.983 20.924 1.00 0.43 C ATOM 0 H THR A 43 -4.540 -6.961 22.982 1.00 70.14 H new ATOM 0 HA THR A 43 -2.576 -8.208 21.254 1.00 1.25 H new ATOM 0 HB THR A 43 -3.581 -6.696 19.662 1.00 55.40 H new ATOM 0 HG1 THR A 43 -1.762 -5.258 19.317 1.00 61.44 H new ATOM 0 HG21 THR A 43 -3.800 -4.277 20.094 1.00 0.43 H new ATOM 0 HG22 THR A 43 -4.779 -5.239 21.227 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.238 -4.529 21.764 1.00 0.43 H new ATOM 657 N LEU A 44 -0.851 -7.354 22.828 1.00 30.33 N ATOM 658 CA LEU A 44 0.137 -6.944 23.820 1.00 30.51 C ATOM 659 C LEU A 44 1.511 -6.772 23.179 1.00 15.23 C ATOM 660 O LEU A 44 1.777 -7.308 22.104 1.00 43.42 O ATOM 661 CB LEU A 44 0.214 -7.974 24.949 1.00 2.24 C ATOM 662 CG LEU A 44 -1.014 -8.069 25.854 1.00 41.34 C ATOM 663 CD1 LEU A 44 -1.476 -6.682 26.274 1.00 14.32 C ATOM 664 CD2 LEU A 44 -2.139 -8.817 25.153 1.00 72.23 C ATOM 0 H LEU A 44 -0.563 -8.141 22.246 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.175 -5.985 24.233 1.00 30.51 H new ATOM 0 HB2 LEU A 44 0.392 -8.955 24.508 1.00 2.24 H new ATOM 0 HB3 LEU A 44 1.080 -7.741 25.568 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.738 -8.626 26.750 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -2.351 -6.769 26.918 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -0.675 -6.180 26.817 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -1.734 -6.101 25.389 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -3.004 -8.874 25.813 1.00 72.23 H new ATOM 0 HD22 LEU A 44 -2.413 -8.289 24.240 1.00 72.23 H new ATOM 0 HD23 LEU A 44 -1.806 -9.824 24.903 1.00 72.23 H new ATOM 676 N SER A 45 2.380 -6.022 23.849 1.00 73.42 N ATOM 677 CA SER A 45 3.727 -5.777 23.344 1.00 30.11 C ATOM 678 C SER A 45 4.721 -6.762 23.952 1.00 54.45 C ATOM 679 O SER A 45 5.057 -6.673 25.133 1.00 53.14 O ATOM 680 CB SER A 45 4.158 -4.342 23.655 1.00 12.24 C ATOM 681 OG SER A 45 3.595 -3.430 22.729 1.00 52.35 O ATOM 0 H SER A 45 2.176 -5.574 24.742 1.00 73.42 H new ATOM 0 HA SER A 45 3.716 -5.919 22.263 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.848 -4.077 24.666 1.00 12.24 H new ATOM 0 HB3 SER A 45 5.245 -4.271 23.626 1.00 12.24 H new ATOM 0 HG SER A 45 3.884 -2.520 22.950 1.00 52.35 H new ATOM 687 N VAL A 46 5.189 -7.701 23.135 1.00 11.02 N ATOM 688 CA VAL A 46 6.146 -8.703 23.590 1.00 13.10 C ATOM 689 C VAL A 46 7.295 -8.854 22.601 1.00 41.33 C ATOM 690 O VAL A 46 7.095 -8.959 21.390 1.00 34.03 O ATOM 691 CB VAL A 46 5.472 -10.072 23.790 1.00 71.43 C ATOM 692 CG1 VAL A 46 6.481 -11.097 24.284 1.00 64.43 C ATOM 693 CG2 VAL A 46 4.303 -9.954 24.757 1.00 21.52 C ATOM 0 H VAL A 46 4.921 -7.789 22.155 1.00 11.02 H new ATOM 0 HA VAL A 46 6.537 -8.356 24.546 1.00 13.10 H new ATOM 0 HB VAL A 46 5.086 -10.411 22.829 1.00 71.43 H new ATOM 0 HG11 VAL A 46 5.986 -12.059 24.420 1.00 64.43 H new ATOM 0 HG12 VAL A 46 7.282 -11.201 23.552 1.00 64.43 H new ATOM 0 HG13 VAL A 46 6.899 -10.767 25.235 1.00 64.43 H new ATOM 0 HG21 VAL A 46 3.838 -10.931 24.887 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.663 -9.593 25.720 1.00 21.52 H new ATOM 0 HG23 VAL A 46 3.570 -9.254 24.358 1.00 21.52 H new ATOM 703 N PRO A 47 8.530 -8.866 23.124 1.00 12.13 N ATOM 704 CA PRO A 47 9.737 -9.005 22.304 1.00 2.21 C ATOM 705 C PRO A 47 9.872 -10.401 21.703 1.00 41.24 C ATOM 706 O PRO A 47 10.121 -10.550 20.508 1.00 33.23 O ATOM 707 CB PRO A 47 10.872 -8.738 23.295 1.00 32.44 C ATOM 708 CG PRO A 47 10.305 -9.091 24.626 1.00 60.01 C ATOM 709 CD PRO A 47 8.843 -8.746 24.558 1.00 52.01 C ATOM 0 HA PRO A 47 9.730 -8.327 21.450 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.749 -9.344 23.065 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.188 -7.695 23.263 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.446 -10.150 24.842 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.801 -8.534 25.421 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.241 -9.428 25.159 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.650 -7.739 24.928 1.00 52.01 H new ATOM 717 N VAL A 48 9.705 -11.419 22.541 1.00 62.33 N ATOM 718 CA VAL A 48 9.807 -12.803 22.093 1.00 40.41 C ATOM 719 C VAL A 48 8.427 -13.409 21.863 1.00 23.10 C ATOM 720 O VAL A 48 7.412 -12.718 21.947 1.00 71.24 O ATOM 721 CB VAL A 48 10.572 -13.668 23.110 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.949 -13.080 23.382 1.00 61.40 C ATOM 723 CG2 VAL A 48 9.777 -13.802 24.400 1.00 30.33 C ATOM 0 H VAL A 48 9.498 -11.311 23.534 1.00 62.33 H new ATOM 0 HA VAL A 48 10.357 -12.791 21.152 1.00 40.41 H new ATOM 0 HB VAL A 48 10.705 -14.664 22.687 1.00 11.01 H new ATOM 0 HG11 VAL A 48 12.475 -13.705 24.103 1.00 61.40 H new ATOM 0 HG12 VAL A 48 12.518 -13.040 22.453 1.00 61.40 H new ATOM 0 HG13 VAL A 48 11.841 -12.073 23.785 1.00 61.40 H new ATOM 0 HG21 VAL A 48 10.333 -14.417 25.108 1.00 30.33 H new ATOM 0 HG22 VAL A 48 9.611 -12.814 24.830 1.00 30.33 H new ATOM 0 HG23 VAL A 48 8.816 -14.271 24.188 1.00 30.33 H new ATOM 733 N ASN A 49 8.397 -14.706 21.575 1.00 53.04 N ATOM 734 CA ASN A 49 7.140 -15.406 21.334 1.00 3.42 C ATOM 735 C ASN A 49 6.791 -16.316 22.506 1.00 15.14 C ATOM 736 O ASN A 49 6.407 -17.470 22.317 1.00 41.55 O ATOM 737 CB ASN A 49 7.230 -16.227 20.045 1.00 63.41 C ATOM 738 CG ASN A 49 7.022 -15.381 18.805 1.00 20.23 C ATOM 739 OD1 ASN A 49 6.009 -14.694 18.671 1.00 0.21 O ATOM 740 ND2 ASN A 49 7.982 -15.428 17.888 1.00 2.13 N ATOM 0 H ASN A 49 9.228 -15.293 21.503 1.00 53.04 H new ATOM 0 HA ASN A 49 6.351 -14.661 21.229 1.00 3.42 H new ATOM 0 HB2 ASN A 49 8.206 -16.710 19.992 1.00 63.41 H new ATOM 0 HB3 ASN A 49 6.483 -17.020 20.070 1.00 63.41 H new ATOM 0 HD21 ASN A 49 7.896 -14.881 17.031 1.00 2.13 H new ATOM 0 HD22 ASN A 49 8.805 -16.011 18.040 1.00 2.13 H new ATOM 747 N SER A 50 6.926 -15.788 23.719 1.00 44.25 N ATOM 748 CA SER A 50 6.627 -16.553 24.923 1.00 32.14 C ATOM 749 C SER A 50 5.189 -17.062 24.901 1.00 64.13 C ATOM 750 O SER A 50 4.447 -16.823 23.948 1.00 43.22 O ATOM 751 CB SER A 50 6.857 -15.694 26.169 1.00 24.20 C ATOM 752 OG SER A 50 8.188 -15.818 26.636 1.00 2.44 O ATOM 0 H SER A 50 7.241 -14.833 23.893 1.00 44.25 H new ATOM 0 HA SER A 50 7.297 -17.412 24.953 1.00 32.14 H new ATOM 0 HB2 SER A 50 6.645 -14.650 25.939 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.163 -15.994 26.954 1.00 24.20 H new ATOM 0 HG SER A 50 8.309 -15.258 27.431 1.00 2.44 H new ATOM 758 N THR A 51 4.802 -17.768 25.959 1.00 5.13 N ATOM 759 CA THR A 51 3.454 -18.314 26.062 1.00 65.34 C ATOM 760 C THR A 51 2.498 -17.304 26.687 1.00 50.11 C ATOM 761 O THR A 51 2.925 -16.366 27.361 1.00 60.11 O ATOM 762 CB THR A 51 3.434 -19.607 26.897 1.00 55.53 C ATOM 763 OG1 THR A 51 4.622 -20.368 26.652 1.00 72.33 O ATOM 764 CG2 THR A 51 2.210 -20.448 26.564 1.00 1.44 C ATOM 0 H THR A 51 5.403 -17.975 26.757 1.00 5.13 H new ATOM 0 HA THR A 51 3.127 -18.541 25.047 1.00 65.34 H new ATOM 0 HB THR A 51 3.391 -19.331 27.951 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.602 -21.188 27.188 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.218 -21.356 27.166 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.307 -19.877 26.780 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.228 -20.714 25.507 1.00 1.44 H new ATOM 772 N LEU A 52 1.204 -17.502 26.460 1.00 33.00 N ATOM 773 CA LEU A 52 0.186 -16.608 27.002 1.00 60.43 C ATOM 774 C LEU A 52 -0.855 -17.388 27.798 1.00 61.44 C ATOM 775 O LEU A 52 -1.330 -18.435 27.359 1.00 62.04 O ATOM 776 CB LEU A 52 -0.493 -15.832 25.873 1.00 25.32 C ATOM 777 CG LEU A 52 0.352 -14.752 25.197 1.00 24.22 C ATOM 778 CD1 LEU A 52 1.305 -15.373 24.189 1.00 0.43 C ATOM 779 CD2 LEU A 52 -0.541 -13.720 24.523 1.00 44.14 C ATOM 0 H LEU A 52 0.835 -18.274 25.904 1.00 33.00 H new ATOM 0 HA LEU A 52 0.676 -15.903 27.674 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.813 -16.543 25.112 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.393 -15.364 26.271 1.00 25.32 H new ATOM 0 HG LEU A 52 0.943 -14.248 25.962 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.898 -14.589 23.718 1.00 0.43 H new ATOM 0 HD12 LEU A 52 1.968 -16.073 24.698 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.734 -15.903 23.427 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.077 -12.959 24.047 1.00 44.14 H new ATOM 0 HD22 LEU A 52 -1.158 -14.209 23.770 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -1.183 -13.251 25.269 1.00 44.14 H new ATOM 791 N LYS A 53 -1.207 -16.869 28.970 1.00 74.15 N ATOM 792 CA LYS A 53 -2.195 -17.513 29.827 1.00 74.21 C ATOM 793 C LYS A 53 -3.512 -16.743 29.814 1.00 31.10 C ATOM 794 O LYS A 53 -3.556 -15.566 30.169 1.00 13.00 O ATOM 795 CB LYS A 53 -1.667 -17.619 31.259 1.00 14.13 C ATOM 796 CG LYS A 53 -2.713 -18.076 32.261 1.00 13.04 C ATOM 797 CD LYS A 53 -2.085 -18.441 33.595 1.00 71.31 C ATOM 798 CE LYS A 53 -2.175 -17.290 34.586 1.00 44.24 C ATOM 799 NZ LYS A 53 -1.022 -17.280 35.529 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.822 -16.003 29.348 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.377 -18.515 29.439 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.829 -18.316 31.278 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -1.280 -16.648 31.568 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.448 -17.284 32.408 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.248 -18.938 31.862 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.586 -19.317 34.007 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -1.040 -18.712 33.445 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.209 -16.345 34.043 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.105 -17.368 35.150 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -1.120 -16.481 36.188 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -1.004 -18.171 36.065 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -0.136 -17.180 34.993 1.00 24.22 H new ATOM 813 N ILE A 54 -4.581 -17.416 29.403 1.00 64.31 N ATOM 814 CA ILE A 54 -5.899 -16.795 29.346 1.00 34.23 C ATOM 815 C ILE A 54 -6.875 -17.491 30.289 1.00 24.45 C ATOM 816 O ILE A 54 -6.888 -18.718 30.393 1.00 52.53 O ATOM 817 CB ILE A 54 -6.474 -16.823 27.918 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.538 -16.090 26.954 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.861 -16.199 27.894 1.00 55.33 C ATOM 820 CD1 ILE A 54 -5.347 -16.807 25.636 1.00 73.40 C ATOM 0 H ILE A 54 -4.561 -18.391 29.105 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.773 -15.758 29.657 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.558 -17.861 27.596 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.935 -15.093 26.762 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.567 -15.960 27.432 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -8.255 -16.226 26.878 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.523 -16.759 28.555 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.801 -15.165 28.232 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -4.672 -16.231 25.003 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -4.921 -17.794 25.817 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -6.310 -16.914 25.137 1.00 73.40 H new ATOM 832 N THR A 55 -7.694 -16.698 30.974 1.00 53.10 N ATOM 833 CA THR A 55 -8.675 -17.237 31.908 1.00 62.11 C ATOM 834 C THR A 55 -9.895 -16.329 32.007 1.00 50.41 C ATOM 835 O THR A 55 -9.769 -15.106 32.045 1.00 11.34 O ATOM 836 CB THR A 55 -8.071 -17.421 33.313 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.641 -16.158 33.831 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.895 -18.387 33.274 1.00 13.32 C ATOM 0 H THR A 55 -7.697 -15.681 30.899 1.00 53.10 H new ATOM 0 HA THR A 55 -8.979 -18.210 31.521 1.00 62.11 H new ATOM 0 HB THR A 55 -8.840 -17.836 33.964 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.260 -16.284 34.725 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.485 -18.501 34.277 1.00 13.32 H new ATOM 0 HG22 THR A 55 -7.232 -19.356 32.907 1.00 13.32 H new ATOM 0 HG23 THR A 55 -6.125 -17.996 32.609 1.00 13.32 H new ATOM 846 N TYR A 56 -11.077 -16.937 32.049 1.00 11.42 N ATOM 847 CA TYR A 56 -12.320 -16.183 32.143 1.00 11.02 C ATOM 848 C TYR A 56 -13.244 -16.783 33.199 1.00 62.40 C ATOM 849 O TYR A 56 -13.607 -17.956 33.126 1.00 41.44 O ATOM 850 CB TYR A 56 -13.028 -16.156 30.787 1.00 44.12 C ATOM 851 CG TYR A 56 -14.261 -15.280 30.765 1.00 65.43 C ATOM 852 CD1 TYR A 56 -14.262 -14.032 31.374 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.425 -15.702 30.134 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.386 -13.229 31.358 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.554 -14.905 30.110 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.529 -13.669 30.724 1.00 31.42 C ATOM 857 OH TYR A 56 -17.651 -12.873 30.703 1.00 41.25 O ATOM 0 H TYR A 56 -11.199 -17.949 32.019 1.00 11.42 H new ATOM 0 HA TYR A 56 -12.074 -15.163 32.439 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.329 -15.804 30.028 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.310 -17.173 30.513 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -13.368 -13.683 31.869 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.448 -16.669 29.654 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -15.370 -12.262 31.839 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.450 -15.247 29.614 1.00 41.03 H new ATOM 0 HH TYR A 56 -18.368 -13.330 30.215 1.00 41.25 H new ATOM 867 N ILE A 57 -13.619 -15.967 34.180 1.00 62.21 N ATOM 868 CA ILE A 57 -14.500 -16.416 35.250 1.00 35.22 C ATOM 869 C ILE A 57 -15.755 -17.077 34.689 1.00 41.02 C ATOM 870 O ILE A 57 -16.570 -16.428 34.032 1.00 74.23 O ATOM 871 CB ILE A 57 -14.914 -15.248 36.165 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.930 -15.723 37.205 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.486 -14.106 35.340 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.200 -14.707 38.294 1.00 34.03 C ATOM 0 H ILE A 57 -13.326 -14.993 34.255 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.939 -17.145 35.835 1.00 35.22 H new ATOM 0 HB ILE A 57 -14.030 -14.884 36.688 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.867 -15.963 36.703 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.568 -16.645 37.661 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.774 -13.288 36.001 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.733 -13.754 34.634 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.361 -14.455 34.793 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.930 -15.111 38.996 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.273 -14.485 38.822 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.592 -13.793 37.849 1.00 34.03 H new ATOM 886 N GLY A 58 -15.905 -18.371 34.953 1.00 41.22 N ATOM 887 CA GLY A 58 -17.064 -19.097 34.468 1.00 34.45 C ATOM 888 C GLY A 58 -16.689 -20.399 33.787 1.00 45.03 C ATOM 889 O GLY A 58 -17.222 -21.458 34.120 1.00 23.42 O ATOM 0 H GLY A 58 -15.245 -18.929 35.494 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.733 -19.307 35.303 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.615 -18.470 33.767 1.00 34.45 H new ATOM 893 N TYR A 59 -15.771 -20.321 32.830 1.00 61.23 N ATOM 894 CA TYR A 59 -15.329 -21.501 32.098 1.00 30.13 C ATOM 895 C TYR A 59 -13.913 -21.898 32.507 1.00 1.25 C ATOM 896 O TYR A 59 -13.228 -21.158 33.213 1.00 60.34 O ATOM 897 CB TYR A 59 -15.383 -21.242 30.592 1.00 42.25 C ATOM 898 CG TYR A 59 -16.788 -21.197 30.035 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.214 -22.127 29.094 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.688 -20.223 30.448 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.496 -22.088 28.582 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.973 -20.179 29.943 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.372 -21.113 29.010 1.00 4.31 C ATOM 904 OH TYR A 59 -20.651 -21.071 28.503 1.00 24.41 O ATOM 0 H TYR A 59 -15.319 -19.453 32.543 1.00 61.23 H new ATOM 0 HA TYR A 59 -16.002 -22.323 32.343 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.885 -20.297 30.376 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.822 -22.022 30.077 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.531 -22.893 28.758 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.378 -19.488 31.176 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.811 -22.817 27.850 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.662 -19.417 30.277 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.140 -20.325 28.909 1.00 24.41 H new ATOM 914 N LYS A 60 -13.481 -23.071 32.058 1.00 52.23 N ATOM 915 CA LYS A 60 -12.147 -23.568 32.373 1.00 72.32 C ATOM 916 C LYS A 60 -11.074 -22.666 31.772 1.00 51.35 C ATOM 917 O LYS A 60 -11.315 -21.926 30.817 1.00 73.04 O ATOM 918 CB LYS A 60 -11.977 -24.997 31.854 1.00 13.13 C ATOM 919 CG LYS A 60 -12.544 -26.054 32.784 1.00 75.30 C ATOM 920 CD LYS A 60 -11.881 -27.404 32.567 1.00 4.44 C ATOM 921 CE LYS A 60 -12.706 -28.288 31.644 1.00 2.10 C ATOM 922 NZ LYS A 60 -13.659 -29.145 32.403 1.00 3.41 N1+ ATOM 0 H LYS A 60 -14.036 -23.696 31.474 1.00 52.23 H new ATOM 0 HA LYS A 60 -12.032 -23.566 33.457 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.463 -25.082 30.882 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.916 -25.194 31.698 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.404 -25.742 33.819 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.618 -26.145 32.621 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -10.888 -27.259 32.142 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -11.747 -27.903 33.527 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -13.259 -27.664 30.942 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -12.041 -28.919 31.055 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -13.819 -30.031 31.883 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -13.262 -29.360 33.340 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -14.563 -28.643 32.517 1.00 3.41 H new ATOM 936 N PRO A 61 -9.861 -22.727 32.341 1.00 20.42 N ATOM 937 CA PRO A 61 -8.727 -21.924 31.875 1.00 52.34 C ATOM 938 C PRO A 61 -8.218 -22.376 30.510 1.00 43.11 C ATOM 939 O PRO A 61 -8.538 -23.471 30.048 1.00 71.32 O ATOM 940 CB PRO A 61 -7.661 -22.159 32.948 1.00 12.55 C ATOM 941 CG PRO A 61 -8.004 -23.483 33.538 1.00 64.21 C ATOM 942 CD PRO A 61 -9.503 -23.587 33.481 1.00 62.33 C ATOM 0 HA PRO A 61 -8.996 -20.876 31.745 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.660 -22.165 32.517 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.679 -21.373 33.703 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.535 -24.293 32.979 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.647 -23.557 34.565 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.829 -24.616 33.326 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.965 -23.242 34.406 1.00 62.33 H new ATOM 950 N VAL A 62 -7.423 -21.524 29.868 1.00 41.12 N ATOM 951 CA VAL A 62 -6.868 -21.837 28.557 1.00 22.22 C ATOM 952 C VAL A 62 -5.525 -21.145 28.349 1.00 13.54 C ATOM 953 O VAL A 62 -5.336 -19.997 28.754 1.00 74.11 O ATOM 954 CB VAL A 62 -7.829 -21.420 27.427 1.00 23.31 C ATOM 955 CG1 VAL A 62 -9.116 -22.228 27.495 1.00 24.54 C ATOM 956 CG2 VAL A 62 -8.121 -19.929 27.501 1.00 33.21 C ATOM 0 H VAL A 62 -7.150 -20.612 30.235 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.726 -22.917 28.523 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.349 -21.626 26.470 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -9.782 -21.920 26.689 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.886 -23.288 27.390 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -9.603 -22.056 28.455 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -8.801 -19.651 26.696 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -8.581 -19.696 28.461 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -7.191 -19.371 27.399 1.00 33.21 H new ATOM 966 N THR A 63 -4.595 -21.850 27.714 1.00 11.33 N ATOM 967 CA THR A 63 -3.268 -21.305 27.453 1.00 11.40 C ATOM 968 C THR A 63 -2.878 -21.490 25.990 1.00 54.21 C ATOM 969 O THR A 63 -3.149 -22.529 25.391 1.00 35.44 O ATOM 970 CB THR A 63 -2.203 -21.968 28.345 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.305 -23.394 28.253 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.364 -21.536 29.794 1.00 60.11 C ATOM 0 H THR A 63 -4.736 -22.800 27.371 1.00 11.33 H new ATOM 0 HA THR A 63 -3.311 -20.241 27.684 1.00 11.40 H new ATOM 0 HB THR A 63 -1.221 -21.651 27.995 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.623 -23.808 28.822 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.600 -22.018 30.404 1.00 60.11 H new ATOM 0 HG22 THR A 63 -2.256 -20.454 29.865 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.351 -21.826 30.153 1.00 60.11 H new ATOM 980 N VAL A 64 -2.237 -20.472 25.422 1.00 54.51 N ATOM 981 CA VAL A 64 -1.806 -20.523 24.029 1.00 53.21 C ATOM 982 C VAL A 64 -0.516 -19.738 23.825 1.00 13.32 C ATOM 983 O VAL A 64 -0.269 -18.739 24.501 1.00 10.04 O ATOM 984 CB VAL A 64 -2.888 -19.966 23.087 1.00 74.21 C ATOM 985 CG1 VAL A 64 -4.047 -20.944 22.965 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.375 -18.610 23.577 1.00 14.45 C ATOM 0 H VAL A 64 -2.005 -19.604 25.904 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.631 -21.572 23.789 1.00 53.21 H new ATOM 0 HB VAL A 64 -2.449 -19.834 22.098 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.802 -20.532 22.295 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.684 -21.890 22.565 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.487 -21.111 23.948 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -4.140 -18.231 22.899 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.796 -18.714 24.577 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.538 -17.912 23.607 1.00 14.45 H new ATOM 996 N LYS A 65 0.306 -20.196 22.887 1.00 23.50 N ATOM 997 CA LYS A 65 1.572 -19.537 22.590 1.00 33.44 C ATOM 998 C LYS A 65 1.353 -18.304 21.720 1.00 51.13 C ATOM 999 O LYS A 65 0.362 -18.212 20.995 1.00 14.12 O ATOM 1000 CB LYS A 65 2.524 -20.507 21.888 1.00 53.40 C ATOM 1001 CG LYS A 65 3.026 -21.625 22.785 1.00 44.43 C ATOM 1002 CD LYS A 65 4.229 -21.187 23.602 1.00 43.14 C ATOM 1003 CE LYS A 65 5.484 -21.105 22.746 1.00 1.42 C ATOM 1004 NZ LYS A 65 5.855 -22.429 22.176 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.118 -21.022 22.319 1.00 23.50 H new ATOM 0 HA LYS A 65 2.017 -19.220 23.533 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.015 -20.943 21.028 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.378 -19.950 21.504 1.00 53.40 H new ATOM 0 HG2 LYS A 65 2.226 -21.942 23.454 1.00 44.43 H new ATOM 0 HG3 LYS A 65 3.293 -22.489 22.176 1.00 44.43 H new ATOM 0 HD2 LYS A 65 4.030 -20.214 24.052 1.00 43.14 H new ATOM 0 HD3 LYS A 65 4.390 -21.890 24.420 1.00 43.14 H new ATOM 0 HE2 LYS A 65 5.325 -20.393 21.936 1.00 1.42 H new ATOM 0 HE3 LYS A 65 6.310 -20.725 23.348 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 6.857 -22.418 21.896 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 5.703 -23.169 22.890 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 5.265 -22.626 21.342 1.00 70.32 H new ATOM 1018 N ALA A 66 2.283 -17.357 21.796 1.00 25.33 N ATOM 1019 CA ALA A 66 2.192 -16.132 21.012 1.00 72.41 C ATOM 1020 C ALA A 66 2.503 -16.395 19.543 1.00 62.14 C ATOM 1021 O ALA A 66 3.474 -17.077 19.217 1.00 13.22 O ATOM 1022 CB ALA A 66 3.133 -15.076 21.572 1.00 71.52 C ATOM 0 H ALA A 66 3.108 -17.415 22.393 1.00 25.33 H new ATOM 0 HA ALA A 66 1.168 -15.763 21.079 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.055 -14.166 20.977 1.00 71.52 H new ATOM 0 HB2 ALA A 66 2.862 -14.858 22.605 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.158 -15.446 21.536 1.00 71.52 H new ATOM 1028 N ALA A 67 1.673 -15.850 18.660 1.00 60.43 N ATOM 1029 CA ALA A 67 1.861 -16.026 17.226 1.00 33.34 C ATOM 1030 C ALA A 67 1.040 -15.012 16.436 1.00 63.13 C ATOM 1031 O ALA A 67 0.308 -14.207 17.013 1.00 55.04 O ATOM 1032 CB ALA A 67 1.491 -17.442 16.814 1.00 32.31 C ATOM 0 H ALA A 67 0.864 -15.283 18.913 1.00 60.43 H new ATOM 0 HA ALA A 67 2.914 -15.858 17.000 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.637 -17.558 15.740 1.00 32.31 H new ATOM 0 HB2 ALA A 67 2.124 -18.153 17.345 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.446 -17.632 17.061 1.00 32.31 H new ATOM 1038 N ALA A 68 1.166 -15.056 15.114 1.00 60.23 N ATOM 1039 CA ALA A 68 0.434 -14.142 14.246 1.00 73.13 C ATOM 1040 C ALA A 68 -1.056 -14.151 14.570 1.00 2.42 C ATOM 1041 O ALA A 68 -1.640 -13.113 14.881 1.00 53.41 O ATOM 1042 CB ALA A 68 0.661 -14.505 12.786 1.00 13.31 C ATOM 0 H ALA A 68 1.768 -15.715 14.621 1.00 60.23 H new ATOM 0 HA ALA A 68 0.811 -13.134 14.421 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.108 -13.814 12.149 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.724 -14.439 12.556 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.313 -15.522 12.606 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.665 -15.330 14.496 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.088 -15.473 14.782 1.00 43.13 C ATOM 1050 C ILE A 69 -3.376 -16.795 15.486 1.00 23.51 C ATOM 1051 O ILE A 69 -3.247 -17.867 14.895 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.931 -15.396 13.496 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.690 -14.065 12.781 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.408 -15.568 13.820 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -2.514 -14.095 11.830 1.00 23.11 C ATOM 0 H ILE A 69 -1.196 -16.199 14.241 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.363 -14.647 15.437 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.627 -16.205 12.831 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.588 -13.791 12.227 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -3.525 -13.286 13.526 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.991 -15.511 12.901 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.567 -16.538 14.291 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.726 -14.778 14.501 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -2.402 -13.119 11.359 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -1.606 -14.338 12.382 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -2.685 -14.851 11.063 1.00 23.11 H new ATOM 1067 N VAL A 70 -3.769 -16.710 16.753 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.079 -17.899 17.539 1.00 74.42 C ATOM 1069 C VAL A 70 -5.531 -17.888 18.003 1.00 52.51 C ATOM 1070 O VAL A 70 -6.072 -16.841 18.358 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.160 -18.014 18.769 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.426 -16.877 19.744 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -3.343 -19.363 19.446 1.00 74.33 C ATOM 0 H VAL A 70 -3.880 -15.830 17.257 1.00 42.53 H new ATOM 0 HA VAL A 70 -3.914 -18.759 16.890 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.125 -17.938 18.436 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -2.767 -16.976 20.607 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.238 -15.923 19.251 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -4.464 -16.916 20.074 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.686 -19.427 20.313 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -4.379 -19.471 19.767 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.096 -20.159 18.744 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.157 -19.060 17.998 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.548 -19.186 18.419 1.00 11.52 C ATOM 1085 C ASN A 71 -7.662 -20.054 19.667 1.00 55.40 C ATOM 1086 O ASN A 71 -7.044 -21.115 19.759 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.392 -19.781 17.290 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.629 -18.796 16.162 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -8.389 -19.102 14.995 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.102 -17.604 16.508 1.00 50.40 N ATOM 0 H ASN A 71 -5.723 -19.936 17.707 1.00 53.23 H new ATOM 0 HA ASN A 71 -7.922 -18.190 18.656 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -7.894 -20.667 16.896 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.352 -20.107 17.691 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.281 -16.899 15.793 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.287 -17.394 17.489 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.458 -19.597 20.629 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.655 -20.333 21.872 1.00 24.20 C ATOM 1099 C VAL A 72 -10.131 -20.639 22.102 1.00 31.43 C ATOM 1100 O VAL A 72 -11.006 -19.877 21.687 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.112 -19.547 23.081 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.159 -20.402 24.338 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.695 -19.064 22.809 1.00 24.11 C ATOM 0 H VAL A 72 -8.977 -18.721 20.571 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.103 -21.268 21.777 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.746 -18.674 23.239 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.772 -19.830 25.181 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.189 -20.695 24.541 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.550 -21.294 24.194 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.327 -18.511 23.673 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.048 -19.921 22.624 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.694 -18.413 21.934 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.401 -21.758 22.764 1.00 10.54 N ATOM 1114 CA LEU A 73 -11.773 -22.166 23.050 1.00 72.02 C ATOM 1115 C LEU A 73 -11.983 -22.359 24.548 1.00 3.23 C ATOM 1116 O LEU A 73 -11.171 -22.995 25.222 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.106 -23.460 22.306 1.00 3.23 C ATOM 1118 CG LEU A 73 -11.218 -24.664 22.622 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.066 -25.903 22.861 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -10.225 -24.904 21.496 1.00 64.32 C ATOM 0 H LEU A 73 -9.689 -22.399 23.113 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.440 -21.375 22.708 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -13.139 -23.728 22.528 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -12.051 -23.264 21.235 1.00 3.23 H new ATOM 0 HG LEU A 73 -10.658 -24.450 23.533 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.418 -26.750 23.084 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -12.737 -25.728 23.702 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.652 -26.120 21.968 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -9.601 -25.765 21.738 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -10.765 -25.097 20.569 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -9.595 -24.023 21.372 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.076 -21.807 25.063 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.394 -21.921 26.482 1.00 22.25 C ATOM 1134 C LEU A 74 -14.251 -23.154 26.751 1.00 10.24 C ATOM 1135 O LEU A 74 -15.341 -23.297 26.199 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.122 -20.666 26.964 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.478 -19.922 28.134 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.034 -19.569 27.812 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.272 -18.669 28.473 1.00 34.41 C ATOM 0 H LEU A 74 -13.757 -21.276 24.519 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.458 -22.025 27.031 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.208 -19.976 26.125 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.135 -20.946 27.252 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.485 -20.578 29.004 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.592 -19.040 28.656 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.470 -20.482 27.620 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.004 -18.932 26.928 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.798 -18.153 29.308 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.298 -18.009 27.606 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.290 -18.946 28.748 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.750 -24.041 27.606 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.471 -25.262 27.948 1.00 73.42 C ATOM 1153 C GLU A 75 -15.334 -25.054 29.190 1.00 44.11 C ATOM 1154 O GLU A 75 -14.958 -24.318 30.101 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.489 -26.412 28.183 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.746 -26.844 26.929 1.00 21.34 C ATOM 1157 CD GLU A 75 -13.535 -27.835 26.097 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -14.513 -28.406 26.622 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -13.173 -28.040 24.919 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.849 -23.937 28.074 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.122 -25.515 27.112 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.764 -26.111 28.939 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -14.033 -27.267 28.585 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -12.520 -25.966 26.324 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -11.792 -27.290 27.212 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.490 -25.707 29.216 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.406 -25.593 30.344 1.00 55.40 C ATOM 1168 C GLU A 76 -16.730 -26.027 31.641 1.00 52.44 C ATOM 1169 O GLU A 76 -15.969 -26.995 31.663 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.658 -26.439 30.102 1.00 21.40 C ATOM 1171 CG GLU A 76 -19.219 -26.306 28.696 1.00 75.12 C ATOM 1172 CD GLU A 76 -18.909 -27.510 27.828 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -19.861 -28.200 27.407 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -17.714 -27.763 27.570 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.815 -26.321 28.469 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.696 -24.546 30.438 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.421 -27.486 30.292 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.426 -26.150 30.820 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -20.299 -26.171 28.751 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.809 -25.411 28.229 1.00 75.12 H new ATOM 1181 N ASP A 77 -17.011 -25.303 32.719 1.00 24.14 N ATOM 1182 CA ASP A 77 -16.430 -25.612 34.021 1.00 14.13 C ATOM 1183 C ASP A 77 -17.328 -26.564 34.804 1.00 2.45 C ATOM 1184 O ASP A 77 -18.548 -26.398 34.838 1.00 35.31 O ATOM 1185 CB ASP A 77 -16.205 -24.328 34.821 1.00 0.41 C ATOM 1186 CG ASP A 77 -17.460 -23.863 35.533 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -18.501 -23.712 34.860 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -17.401 -23.647 36.761 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.637 -24.498 32.717 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.470 -26.100 33.856 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -15.415 -24.493 35.554 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.858 -23.542 34.151 1.00 0.41 H new ATOM 1193 N THR A 78 -16.717 -27.563 35.433 1.00 73.11 N ATOM 1194 CA THR A 78 -17.461 -28.543 36.215 1.00 32.45 C ATOM 1195 C THR A 78 -16.554 -29.255 37.212 1.00 35.21 C ATOM 1196 O THR A 78 -15.348 -29.369 36.994 1.00 74.43 O ATOM 1197 CB THR A 78 -18.133 -29.592 35.308 1.00 13.32 C ATOM 1198 OG1 THR A 78 -18.650 -30.665 36.102 1.00 10.33 O ATOM 1199 CG2 THR A 78 -17.143 -30.138 34.289 1.00 23.12 C ATOM 0 H THR A 78 -15.709 -27.715 35.416 1.00 73.11 H new ATOM 0 HA THR A 78 -18.232 -27.995 36.757 1.00 32.45 H new ATOM 0 HB THR A 78 -18.951 -29.110 34.773 1.00 13.32 H new ATOM 0 HG1 THR A 78 -19.077 -31.327 35.519 1.00 10.33 H new ATOM 0 HG21 THR A 78 -17.639 -30.877 33.660 1.00 23.12 H new ATOM 0 HG22 THR A 78 -16.773 -29.322 33.668 1.00 23.12 H new ATOM 0 HG23 THR A 78 -16.307 -30.607 34.809 1.00 23.12 H new ATOM 1207 N GLN A 79 -17.141 -29.734 38.303 1.00 71.11 N ATOM 1208 CA GLN A 79 -16.384 -30.435 39.333 1.00 23.05 C ATOM 1209 C GLN A 79 -15.991 -31.832 38.863 1.00 15.21 C ATOM 1210 O GLN A 79 -16.477 -32.313 37.840 1.00 62.32 O ATOM 1211 CB GLN A 79 -17.203 -30.531 40.621 1.00 33.22 C ATOM 1212 CG GLN A 79 -17.366 -29.199 41.338 1.00 21.24 C ATOM 1213 CD GLN A 79 -16.166 -28.844 42.192 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -15.048 -28.722 41.690 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -16.390 -28.676 43.489 1.00 4.20 N ATOM 0 H GLN A 79 -18.139 -29.650 38.497 1.00 71.11 H new ATOM 0 HA GLN A 79 -15.475 -29.867 39.530 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -18.189 -30.931 40.386 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -16.723 -31.241 41.295 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -17.528 -28.412 40.601 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -18.256 -29.236 41.966 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -17.333 -28.787 43.862 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -15.619 -28.436 44.113 1.00 4.20 H new ATOM 1224 N MET A 80 -15.105 -32.477 39.615 1.00 10.55 N ATOM 1225 CA MET A 80 -14.647 -33.819 39.275 1.00 33.12 C ATOM 1226 C MET A 80 -15.706 -34.860 39.624 1.00 54.10 C ATOM 1227 O MET A 80 -16.651 -34.575 40.360 1.00 32.25 O ATOM 1228 CB MET A 80 -13.342 -34.136 40.008 1.00 43.24 C ATOM 1229 CG MET A 80 -12.113 -33.521 39.356 1.00 33.52 C ATOM 1230 SD MET A 80 -10.696 -33.458 40.468 1.00 41.55 S ATOM 1231 CE MET A 80 -9.583 -32.407 39.537 1.00 74.23 C ATOM 0 H MET A 80 -14.690 -32.092 40.464 1.00 10.55 H new ATOM 0 HA MET A 80 -14.470 -33.854 38.200 1.00 33.12 H new ATOM 0 HB2 MET A 80 -13.416 -33.778 41.035 1.00 43.24 H new ATOM 0 HB3 MET A 80 -13.215 -35.218 40.056 1.00 43.24 H new ATOM 0 HG2 MET A 80 -11.849 -34.098 38.470 1.00 33.52 H new ATOM 0 HG3 MET A 80 -12.351 -32.512 39.020 1.00 33.52 H new ATOM 0 HE1 MET A 80 -8.657 -32.273 40.096 1.00 74.23 H new ATOM 0 HE2 MET A 80 -9.363 -32.871 38.576 1.00 74.23 H new ATOM 0 HE3 MET A 80 -10.051 -31.437 39.372 1.00 74.23 H new ATOM 1241 N VAL A 81 -15.541 -36.066 39.091 1.00 0.53 N ATOM 1242 CA VAL A 81 -16.482 -37.150 39.348 1.00 1.25 C ATOM 1243 C VAL A 81 -16.579 -37.452 40.838 1.00 62.43 C ATOM 1244 O VAL A 81 -17.626 -37.255 41.455 1.00 3.11 O ATOM 1245 CB VAL A 81 -16.076 -38.434 38.600 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -17.063 -39.555 38.889 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -15.979 -38.171 37.105 1.00 54.24 C ATOM 0 H VAL A 81 -14.765 -36.317 38.479 1.00 0.53 H new ATOM 0 HA VAL A 81 -17.454 -36.818 38.984 1.00 1.25 H new ATOM 0 HB VAL A 81 -15.094 -38.746 38.956 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -16.760 -40.454 38.352 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -17.078 -39.759 39.960 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -18.059 -39.256 38.563 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -15.691 -39.089 36.592 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -16.946 -37.834 36.731 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -15.230 -37.401 36.919 1.00 54.24 H new ATOM 1257 N ASP A 82 -15.482 -37.933 41.412 1.00 21.33 N ATOM 1258 CA ASP A 82 -15.442 -38.261 42.832 1.00 52.35 C ATOM 1259 C ASP A 82 -15.609 -37.007 43.685 1.00 42.13 C ATOM 1260 O ASP A 82 -15.758 -35.905 43.160 1.00 40.40 O ATOM 1261 CB ASP A 82 -14.127 -38.959 43.179 1.00 62.52 C ATOM 1262 CG ASP A 82 -12.924 -38.057 42.987 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -12.406 -37.992 41.852 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -12.499 -37.415 43.971 1.00 1.31 O1- ATOM 0 H ASP A 82 -14.608 -38.105 40.915 1.00 21.33 H new ATOM 0 HA ASP A 82 -16.270 -38.937 43.047 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -14.161 -39.298 44.214 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -14.015 -39.847 42.556 1.00 62.52 H new ATOM 1269 N GLU A 83 -15.581 -37.186 45.002 1.00 63.12 N ATOM 1270 CA GLU A 83 -15.731 -36.068 45.927 1.00 23.02 C ATOM 1271 C GLU A 83 -14.546 -35.994 46.885 1.00 10.51 C ATOM 1272 O GLU A 83 -14.719 -35.801 48.090 1.00 50.40 O ATOM 1273 CB GLU A 83 -17.034 -36.203 46.718 1.00 13.42 C ATOM 1274 CG GLU A 83 -17.434 -34.933 47.452 1.00 3.23 C ATOM 1275 CD GLU A 83 -18.929 -34.845 47.691 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -19.328 -34.318 48.751 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -19.697 -35.302 46.821 1.00 64.43 O1- ATOM 0 H GLU A 83 -15.456 -38.093 45.452 1.00 63.12 H new ATOM 0 HA GLU A 83 -15.763 -35.148 45.344 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -17.836 -36.487 46.036 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -16.929 -37.012 47.440 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -16.914 -34.891 48.409 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -17.110 -34.067 46.875 1.00 3.23 H new ATOM 1284 N VAL A 84 -13.343 -36.148 46.343 1.00 23.40 N ATOM 1285 CA VAL A 84 -12.129 -36.099 47.149 1.00 2.42 C ATOM 1286 C VAL A 84 -11.388 -34.781 46.947 1.00 11.52 C ATOM 1287 O VAL A 84 -10.310 -34.748 46.354 1.00 34.13 O ATOM 1288 CB VAL A 84 -11.182 -37.265 46.811 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -10.016 -37.308 47.788 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -11.939 -38.584 46.815 1.00 53.25 C ATOM 0 H VAL A 84 -13.183 -36.308 45.348 1.00 23.40 H new ATOM 0 HA VAL A 84 -12.438 -36.183 48.191 1.00 2.42 H new ATOM 0 HB VAL A 84 -10.781 -37.105 45.810 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -9.358 -38.139 47.533 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -9.459 -36.373 47.731 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -10.395 -37.443 48.801 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -11.254 -39.397 46.574 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -12.370 -38.753 47.802 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -12.736 -38.548 46.072 1.00 53.25 H new ATOM 1300 N VAL A 85 -11.974 -33.696 47.443 1.00 23.03 N ATOM 1301 CA VAL A 85 -11.370 -32.376 47.317 1.00 53.43 C ATOM 1302 C VAL A 85 -11.366 -31.644 48.655 1.00 23.44 C ATOM 1303 O VAL A 85 -12.418 -31.410 49.249 1.00 52.44 O ATOM 1304 CB VAL A 85 -12.110 -31.516 46.276 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -11.412 -30.176 46.096 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -12.212 -32.255 44.950 1.00 13.25 C ATOM 0 H VAL A 85 -12.867 -33.706 47.936 1.00 23.03 H new ATOM 0 HA VAL A 85 -10.343 -32.529 46.986 1.00 53.43 H new ATOM 0 HB VAL A 85 -13.120 -31.327 46.639 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -11.949 -29.582 45.357 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -11.396 -29.643 47.047 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -10.390 -30.341 45.755 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -12.738 -31.633 44.226 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -11.211 -32.477 44.579 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -12.760 -33.186 45.094 1.00 13.25 H new ATOM 1316 N VAL A 86 -10.175 -31.285 49.123 1.00 13.51 N ATOM 1317 CA VAL A 86 -10.034 -30.577 50.390 1.00 11.22 C ATOM 1318 C VAL A 86 -10.716 -31.336 51.523 1.00 63.12 C ATOM 1319 O VAL A 86 -11.836 -31.010 51.918 1.00 25.30 O ATOM 1320 CB VAL A 86 -10.626 -29.157 50.309 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -10.397 -28.408 51.613 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -10.026 -28.397 49.136 1.00 73.01 C ATOM 0 H VAL A 86 -9.294 -31.473 48.644 1.00 13.51 H new ATOM 0 HA VAL A 86 -8.966 -30.506 50.595 1.00 11.22 H new ATOM 0 HB VAL A 86 -11.701 -29.238 50.149 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -10.822 -27.407 51.537 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -10.878 -28.945 52.430 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -9.327 -28.334 51.807 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -10.455 -27.396 49.093 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -8.946 -28.324 49.264 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -10.246 -28.926 48.209 1.00 73.01 H new ATOM 1332 N THR A 87 -10.032 -32.351 52.043 1.00 32.30 N ATOM 1333 CA THR A 87 -10.572 -33.158 53.130 1.00 63.34 C ATOM 1334 C THR A 87 -10.006 -32.717 54.475 1.00 32.24 C ATOM 1335 O THR A 87 -8.984 -32.036 54.537 1.00 11.13 O ATOM 1336 CB THR A 87 -10.269 -34.654 52.924 1.00 65.24 C ATOM 1337 OG1 THR A 87 -10.963 -35.435 53.903 1.00 1.23 O ATOM 1338 CG2 THR A 87 -8.775 -34.921 53.022 1.00 64.13 C ATOM 0 H THR A 87 -9.104 -32.633 51.729 1.00 32.30 H new ATOM 0 HA THR A 87 -11.652 -33.010 53.127 1.00 63.34 H new ATOM 0 HB THR A 87 -10.609 -34.937 51.928 1.00 65.24 H new ATOM 0 HG1 THR A 87 -10.766 -36.385 53.763 1.00 1.23 H new ATOM 0 HG21 THR A 87 -8.585 -35.984 52.873 1.00 64.13 H new ATOM 0 HG22 THR A 87 -8.252 -34.348 52.256 1.00 64.13 H new ATOM 0 HG23 THR A 87 -8.416 -34.622 54.007 1.00 64.13 H new ATOM 1346 N GLY A 88 -10.678 -33.112 55.553 1.00 61.42 N ATOM 1347 CA GLY A 88 -10.226 -32.748 56.883 1.00 23.00 C ATOM 1348 C GLY A 88 -10.956 -31.539 57.433 1.00 61.32 C ATOM 1349 O GLY A 88 -12.177 -31.435 57.313 1.00 11.31 O ATOM 0 H GLY A 88 -11.527 -33.677 55.528 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -10.370 -33.593 57.556 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -9.156 -32.541 56.856 1.00 23.00 H new ATOM 1353 N TYR A 89 -10.208 -30.624 58.040 1.00 75.33 N ATOM 1354 CA TYR A 89 -10.792 -29.418 58.613 1.00 31.00 C ATOM 1355 C TYR A 89 -9.878 -28.215 58.400 1.00 2.11 C ATOM 1356 O TYR A 89 -8.690 -28.259 58.719 1.00 10.14 O ATOM 1357 CB TYR A 89 -11.054 -29.615 60.107 1.00 63.35 C ATOM 1358 CG TYR A 89 -12.065 -28.645 60.677 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -11.665 -27.418 61.192 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -13.419 -28.956 60.703 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -12.584 -26.529 61.715 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -14.345 -28.073 61.222 1.00 50.14 C ATOM 1363 CZ TYR A 89 -13.924 -26.860 61.727 1.00 73.01 C ATOM 1364 OH TYR A 89 -14.843 -25.978 62.247 1.00 13.23 O ATOM 0 H TYR A 89 -9.196 -30.695 58.148 1.00 75.33 H new ATOM 0 HA TYR A 89 -11.738 -29.226 58.106 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -11.405 -30.633 60.275 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -10.115 -29.508 60.649 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -10.618 -27.155 61.183 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -13.753 -29.905 60.310 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -12.256 -25.580 62.112 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -15.394 -28.331 61.233 1.00 50.14 H new ATOM 0 HH TYR A 89 -15.741 -26.363 62.178 1.00 13.23 H new ATOM 1374 N THR A 90 -10.442 -27.140 57.858 1.00 63.13 N ATOM 1375 CA THR A 90 -9.680 -25.925 57.602 1.00 73.03 C ATOM 1376 C THR A 90 -9.014 -25.414 58.874 1.00 22.02 C ATOM 1377 O THR A 90 -8.285 -24.422 58.851 1.00 3.25 O ATOM 1378 CB THR A 90 -10.573 -24.813 57.021 1.00 65.23 C ATOM 1379 OG1 THR A 90 -11.652 -24.532 57.920 1.00 50.24 O ATOM 1380 CG2 THR A 90 -11.130 -25.218 55.665 1.00 14.03 C ATOM 0 H THR A 90 -11.424 -27.087 57.588 1.00 63.13 H new ATOM 0 HA THR A 90 -8.912 -26.183 56.872 1.00 73.03 H new ATOM 0 HB THR A 90 -9.964 -23.918 56.893 1.00 65.23 H new ATOM 0 HG1 THR A 90 -12.214 -23.823 57.544 1.00 50.24 H new ATOM 0 HG21 THR A 90 -11.757 -24.416 55.275 1.00 14.03 H new ATOM 0 HG22 THR A 90 -10.307 -25.403 54.974 1.00 14.03 H new ATOM 0 HG23 THR A 90 -11.725 -26.125 55.772 1.00 14.03 H new TER 1388 THR A 90