USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 THR OG1 : rot 100:sc= 1.04 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -131:sc= 1.2 (180deg=-0.0108) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.836! (180deg=0.382!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 0.0668 (180deg=0.00853) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.372 X(o=0.37,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.19) USER MOD Single : A 43 THR OG1 : rot 41:sc= 0.00751 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 0.219 (180deg=0.121) USER MOD Single : A 50 MET CE :methyl 158:sc= 0 (180deg=-0.155) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc=-0.00311 (180deg=-0.1) USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0488 (180deg=-0.346) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= -1.66! (180deg=-4.23!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -145:sc= 2.07 (180deg=-0.438) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.00246 X(o=0.0025,f=-0.046) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.215 14.213 -4.586 1.00 10.03 N ATOM 2 CA MET A 1 3.034 13.339 -4.640 1.00 1.33 C ATOM 3 C MET A 1 3.414 12.026 -5.350 1.00 72.42 C ATOM 4 O MET A 1 3.643 11.989 -6.567 1.00 31.43 O ATOM 5 CB MET A 1 1.843 14.079 -5.320 1.00 53.33 C ATOM 6 CG MET A 1 2.152 14.700 -6.700 1.00 74.34 C ATOM 7 SD MET A 1 3.427 15.985 -6.633 1.00 73.53 S ATOM 8 CE MET A 1 3.669 16.349 -8.372 1.00 14.14 C ATOM 0 H1 MET A 1 4.002 15.049 -4.006 1.00 10.03 H new ATOM 0 H2 MET A 1 5.012 13.694 -4.165 1.00 10.03 H new ATOM 0 H3 MET A 1 4.468 14.515 -5.549 1.00 10.03 H new ATOM 0 HA MET A 1 2.700 13.085 -3.634 1.00 1.33 H new ATOM 0 HB2 MET A 1 1.017 13.376 -5.433 1.00 53.33 H new ATOM 0 HB3 MET A 1 1.500 14.870 -4.653 1.00 53.33 H new ATOM 0 HG2 MET A 1 2.474 13.913 -7.382 1.00 74.34 H new ATOM 0 HG3 MET A 1 1.237 15.125 -7.113 1.00 74.34 H new ATOM 0 HE1 MET A 1 4.428 17.124 -8.479 1.00 14.14 H new ATOM 0 HE2 MET A 1 3.995 15.447 -8.890 1.00 14.14 H new ATOM 0 HE3 MET A 1 2.731 16.697 -8.805 1.00 14.14 H new ATOM 20 N VAL A 2 3.516 10.939 -4.568 1.00 23.22 N ATOM 21 CA VAL A 2 4.045 9.645 -5.040 1.00 62.11 C ATOM 22 C VAL A 2 2.924 8.600 -5.082 1.00 33.54 C ATOM 23 O VAL A 2 2.265 8.346 -4.065 1.00 32.45 O ATOM 24 CB VAL A 2 5.214 9.132 -4.118 1.00 65.33 C ATOM 25 CG1 VAL A 2 5.862 7.839 -4.678 1.00 4.41 C ATOM 26 CG2 VAL A 2 6.286 10.225 -3.918 1.00 1.13 C ATOM 0 H VAL A 2 3.234 10.931 -3.588 1.00 23.22 H new ATOM 0 HA VAL A 2 4.442 9.794 -6.044 1.00 62.11 H new ATOM 0 HB VAL A 2 4.775 8.895 -3.149 1.00 65.33 H new ATOM 0 HG11 VAL A 2 6.664 7.517 -4.014 1.00 4.41 H new ATOM 0 HG12 VAL A 2 5.109 7.054 -4.745 1.00 4.41 H new ATOM 0 HG13 VAL A 2 6.269 8.036 -5.670 1.00 4.41 H new ATOM 0 HG21 VAL A 2 7.081 9.842 -3.277 1.00 1.13 H new ATOM 0 HG22 VAL A 2 6.703 10.507 -4.885 1.00 1.13 H new ATOM 0 HG23 VAL A 2 5.832 11.099 -3.450 1.00 1.13 H new ATOM 36 N ASP A 3 2.711 8.013 -6.263 1.00 51.31 N ATOM 37 CA ASP A 3 1.760 6.918 -6.459 1.00 34.04 C ATOM 38 C ASP A 3 2.459 5.588 -6.137 1.00 31.41 C ATOM 39 O ASP A 3 3.334 5.153 -6.873 1.00 2.44 O ATOM 40 CB ASP A 3 1.236 6.914 -7.920 1.00 13.31 C ATOM 41 CG ASP A 3 0.414 8.158 -8.291 1.00 20.15 C ATOM 42 OD1 ASP A 3 1.008 9.237 -8.534 1.00 73.42 O ATOM 43 OD2 ASP A 3 -0.833 8.061 -8.350 1.00 73.01 O ATOM 0 H ASP A 3 3.198 8.287 -7.116 1.00 51.31 H new ATOM 0 HA ASP A 3 0.907 7.051 -5.794 1.00 34.04 H new ATOM 0 HB2 ASP A 3 2.085 6.836 -8.600 1.00 13.31 H new ATOM 0 HB3 ASP A 3 0.622 6.026 -8.073 1.00 13.31 H new ATOM 48 N LEU A 4 2.075 4.949 -5.029 1.00 64.41 N ATOM 49 CA LEU A 4 2.694 3.690 -4.589 1.00 72.22 C ATOM 50 C LEU A 4 1.888 2.513 -5.128 1.00 4.54 C ATOM 51 O LEU A 4 0.723 2.353 -4.775 1.00 24.25 O ATOM 52 CB LEU A 4 2.763 3.638 -3.044 1.00 32.33 C ATOM 53 CG LEU A 4 3.638 4.733 -2.364 1.00 75.30 C ATOM 54 CD1 LEU A 4 3.585 4.606 -0.836 1.00 51.51 C ATOM 55 CD2 LEU A 4 5.097 4.687 -2.879 1.00 55.42 C ATOM 0 H LEU A 4 1.333 5.284 -4.414 1.00 64.41 H new ATOM 0 HA LEU A 4 3.711 3.633 -4.977 1.00 72.22 H new ATOM 0 HB2 LEU A 4 1.749 3.715 -2.652 1.00 32.33 H new ATOM 0 HB3 LEU A 4 3.145 2.661 -2.750 1.00 32.33 H new ATOM 0 HG LEU A 4 3.225 5.705 -2.634 1.00 75.30 H new ATOM 0 HD11 LEU A 4 4.204 5.382 -0.385 1.00 51.51 H new ATOM 0 HD12 LEU A 4 2.555 4.720 -0.497 1.00 51.51 H new ATOM 0 HD13 LEU A 4 3.958 3.626 -0.539 1.00 51.51 H new ATOM 0 HD21 LEU A 4 5.682 5.463 -2.385 1.00 55.42 H new ATOM 0 HD22 LEU A 4 5.530 3.711 -2.659 1.00 55.42 H new ATOM 0 HD23 LEU A 4 5.108 4.854 -3.956 1.00 55.42 H new ATOM 67 N LYS A 5 2.498 1.738 -6.044 1.00 13.10 N ATOM 68 CA LYS A 5 1.944 0.463 -6.506 1.00 51.45 C ATOM 69 C LYS A 5 2.635 -0.678 -5.759 1.00 62.10 C ATOM 70 O LYS A 5 3.831 -0.885 -5.928 1.00 21.44 O ATOM 71 CB LYS A 5 2.135 0.263 -8.031 1.00 3.43 C ATOM 72 CG LYS A 5 1.556 1.381 -8.937 1.00 2.13 C ATOM 73 CD LYS A 5 1.515 0.960 -10.425 1.00 34.12 C ATOM 74 CE LYS A 5 2.887 0.529 -10.985 1.00 2.31 C ATOM 75 NZ LYS A 5 2.752 -0.271 -12.223 1.00 33.02 N ATOM 0 H LYS A 5 3.387 1.982 -6.481 1.00 13.10 H new ATOM 0 HA LYS A 5 0.873 0.469 -6.304 1.00 51.45 H new ATOM 0 HB2 LYS A 5 3.202 0.172 -8.235 1.00 3.43 H new ATOM 0 HB3 LYS A 5 1.674 -0.683 -8.315 1.00 3.43 H new ATOM 0 HG2 LYS A 5 0.549 1.632 -8.604 1.00 2.13 H new ATOM 0 HG3 LYS A 5 2.161 2.282 -8.832 1.00 2.13 H new ATOM 0 HD2 LYS A 5 0.810 0.137 -10.541 1.00 34.12 H new ATOM 0 HD3 LYS A 5 1.135 1.792 -11.019 1.00 34.12 H new ATOM 0 HE2 LYS A 5 3.490 1.414 -11.189 1.00 2.31 H new ATOM 0 HE3 LYS A 5 3.419 -0.053 -10.233 1.00 2.31 H new ATOM 0 HZ1 LYS A 5 3.696 -0.541 -12.567 1.00 33.02 H new ATOM 0 HZ2 LYS A 5 2.198 -1.128 -12.024 1.00 33.02 H new ATOM 0 HZ3 LYS A 5 2.267 0.293 -12.950 1.00 33.02 H new ATOM 89 N ILE A 6 1.884 -1.422 -4.944 1.00 31.30 N ATOM 90 CA ILE A 6 2.411 -2.588 -4.232 1.00 35.33 C ATOM 91 C ILE A 6 1.942 -3.847 -4.970 1.00 20.34 C ATOM 92 O ILE A 6 0.752 -4.169 -4.946 1.00 12.33 O ATOM 93 CB ILE A 6 1.950 -2.671 -2.717 1.00 53.33 C ATOM 94 CG1 ILE A 6 2.481 -1.462 -1.868 1.00 74.12 C ATOM 95 CG2 ILE A 6 2.400 -4.015 -2.082 1.00 24.42 C ATOM 96 CD1 ILE A 6 1.769 -0.138 -2.075 1.00 42.22 C ATOM 0 H ILE A 6 0.898 -1.235 -4.760 1.00 31.30 H new ATOM 0 HA ILE A 6 3.497 -2.500 -4.218 1.00 35.33 H new ATOM 0 HB ILE A 6 0.861 -2.620 -2.710 1.00 53.33 H new ATOM 0 HG12 ILE A 6 2.413 -1.727 -0.813 1.00 74.12 H new ATOM 0 HG13 ILE A 6 3.538 -1.322 -2.094 1.00 74.12 H new ATOM 0 HG21 ILE A 6 2.075 -4.053 -1.042 1.00 24.42 H new ATOM 0 HG22 ILE A 6 1.955 -4.844 -2.632 1.00 24.42 H new ATOM 0 HG23 ILE A 6 3.486 -4.092 -2.125 1.00 24.42 H new ATOM 0 HD11 ILE A 6 2.221 0.622 -1.437 1.00 42.22 H new ATOM 0 HD12 ILE A 6 1.858 0.164 -3.119 1.00 42.22 H new ATOM 0 HD13 ILE A 6 0.715 -0.247 -1.818 1.00 42.22 H new ATOM 108 N ASP A 7 2.874 -4.548 -5.626 1.00 12.54 N ATOM 109 CA ASP A 7 2.607 -5.872 -6.216 1.00 42.30 C ATOM 110 C ASP A 7 2.111 -6.833 -5.129 1.00 74.44 C ATOM 111 O ASP A 7 2.679 -6.872 -4.034 1.00 23.41 O ATOM 112 CB ASP A 7 3.891 -6.428 -6.897 1.00 3.25 C ATOM 113 CG ASP A 7 3.837 -7.935 -7.214 1.00 73.12 C ATOM 114 OD1 ASP A 7 3.094 -8.334 -8.137 1.00 31.11 O ATOM 115 OD2 ASP A 7 4.498 -8.732 -6.515 1.00 32.23 O ATOM 0 H ASP A 7 3.830 -4.219 -5.764 1.00 12.54 H new ATOM 0 HA ASP A 7 1.833 -5.775 -6.977 1.00 42.30 H new ATOM 0 HB2 ASP A 7 4.064 -5.880 -7.823 1.00 3.25 H new ATOM 0 HB3 ASP A 7 4.745 -6.235 -6.248 1.00 3.25 H new ATOM 120 N VAL A 8 1.053 -7.594 -5.433 1.00 1.24 N ATOM 121 CA VAL A 8 0.478 -8.588 -4.522 1.00 42.31 C ATOM 122 C VAL A 8 0.307 -9.902 -5.303 1.00 5.02 C ATOM 123 O VAL A 8 -0.316 -9.925 -6.364 1.00 50.44 O ATOM 124 CB VAL A 8 -0.894 -8.125 -3.867 1.00 21.02 C ATOM 125 CG1 VAL A 8 -0.667 -7.061 -2.775 1.00 33.41 C ATOM 126 CG2 VAL A 8 -1.893 -7.584 -4.923 1.00 23.20 C ATOM 0 H VAL A 8 0.568 -7.536 -6.328 1.00 1.24 H new ATOM 0 HA VAL A 8 1.160 -8.723 -3.682 1.00 42.31 H new ATOM 0 HB VAL A 8 -1.330 -9.014 -3.410 1.00 21.02 H new ATOM 0 HG11 VAL A 8 -1.626 -6.767 -2.348 1.00 33.41 H new ATOM 0 HG12 VAL A 8 -0.032 -7.474 -1.991 1.00 33.41 H new ATOM 0 HG13 VAL A 8 -0.182 -6.188 -3.212 1.00 33.41 H new ATOM 0 HG21 VAL A 8 -2.816 -7.280 -4.429 1.00 23.20 H new ATOM 0 HG22 VAL A 8 -1.455 -6.726 -5.433 1.00 23.20 H new ATOM 0 HG23 VAL A 8 -2.112 -8.365 -5.651 1.00 23.20 H new ATOM 136 N SER A 9 0.914 -10.978 -4.777 1.00 73.14 N ATOM 137 CA SER A 9 0.886 -12.326 -5.378 1.00 61.35 C ATOM 138 C SER A 9 -0.485 -13.027 -5.175 1.00 2.22 C ATOM 139 O SER A 9 -0.709 -14.130 -5.701 1.00 53.20 O ATOM 140 CB SER A 9 2.034 -13.166 -4.763 1.00 64.51 C ATOM 141 OG SER A 9 3.300 -12.518 -4.900 1.00 12.43 O ATOM 0 H SER A 9 1.447 -10.938 -3.908 1.00 73.14 H new ATOM 0 HA SER A 9 1.028 -12.234 -6.455 1.00 61.35 H new ATOM 0 HB2 SER A 9 1.829 -13.343 -3.707 1.00 64.51 H new ATOM 0 HB3 SER A 9 2.071 -14.141 -5.248 1.00 64.51 H new ATOM 0 HG SER A 9 3.998 -13.077 -4.499 1.00 12.43 H new ATOM 147 N ASP A 10 -1.396 -12.388 -4.405 1.00 34.11 N ATOM 148 CA ASP A 10 -2.727 -12.953 -4.109 1.00 1.12 C ATOM 149 C ASP A 10 -3.769 -11.821 -3.950 1.00 53.22 C ATOM 150 O ASP A 10 -3.407 -10.644 -3.816 1.00 33.22 O ATOM 151 CB ASP A 10 -2.638 -13.845 -2.834 1.00 52.43 C ATOM 152 CG ASP A 10 -3.895 -14.690 -2.586 1.00 14.11 C ATOM 153 OD1 ASP A 10 -4.100 -15.691 -3.310 1.00 12.21 O ATOM 154 OD2 ASP A 10 -4.727 -14.313 -1.737 1.00 2.11 O ATOM 0 H ASP A 10 -1.229 -11.477 -3.977 1.00 34.11 H new ATOM 0 HA ASP A 10 -3.056 -13.578 -4.939 1.00 1.12 H new ATOM 0 HB2 ASP A 10 -1.777 -14.507 -2.924 1.00 52.43 H new ATOM 0 HB3 ASP A 10 -2.462 -13.208 -1.967 1.00 52.43 H new ATOM 159 N ASP A 11 -5.061 -12.198 -3.934 1.00 33.24 N ATOM 160 CA ASP A 11 -6.179 -11.242 -3.888 1.00 2.13 C ATOM 161 C ASP A 11 -6.513 -10.877 -2.430 1.00 52.13 C ATOM 162 O ASP A 11 -6.815 -9.723 -2.114 1.00 70.21 O ATOM 163 CB ASP A 11 -7.427 -11.823 -4.600 1.00 64.55 C ATOM 164 CG ASP A 11 -7.134 -12.330 -6.021 1.00 4.32 C ATOM 165 OD1 ASP A 11 -7.012 -11.501 -6.955 1.00 74.51 O ATOM 166 OD2 ASP A 11 -6.981 -13.559 -6.206 1.00 41.54 O ATOM 0 H ASP A 11 -5.357 -13.174 -3.953 1.00 33.24 H new ATOM 0 HA ASP A 11 -5.877 -10.336 -4.413 1.00 2.13 H new ATOM 0 HB2 ASP A 11 -7.828 -12.643 -4.004 1.00 64.55 H new ATOM 0 HB3 ASP A 11 -8.200 -11.056 -4.647 1.00 64.55 H new ATOM 171 N GLU A 12 -6.465 -11.889 -1.551 1.00 70.43 N ATOM 172 CA GLU A 12 -6.699 -11.727 -0.103 1.00 41.22 C ATOM 173 C GLU A 12 -5.516 -10.977 0.543 1.00 65.01 C ATOM 174 O GLU A 12 -5.694 -10.239 1.514 1.00 55.53 O ATOM 175 CB GLU A 12 -6.905 -13.121 0.547 1.00 41.24 C ATOM 176 CG GLU A 12 -7.224 -13.090 2.059 1.00 1.24 C ATOM 177 CD GLU A 12 -7.305 -14.479 2.706 1.00 53.21 C ATOM 178 OE1 GLU A 12 -6.240 -15.084 2.943 1.00 14.51 O ATOM 179 OE2 GLU A 12 -8.419 -14.968 2.993 1.00 43.14 O ATOM 0 H GLU A 12 -6.262 -12.851 -1.824 1.00 70.43 H new ATOM 0 HA GLU A 12 -7.599 -11.134 0.060 1.00 41.22 H new ATOM 0 HB2 GLU A 12 -7.717 -13.631 0.029 1.00 41.24 H new ATOM 0 HB3 GLU A 12 -6.005 -13.715 0.392 1.00 41.24 H new ATOM 0 HG2 GLU A 12 -6.458 -12.506 2.570 1.00 1.24 H new ATOM 0 HG3 GLU A 12 -8.172 -12.574 2.210 1.00 1.24 H new ATOM 186 N GLU A 13 -4.305 -11.179 -0.033 1.00 61.33 N ATOM 187 CA GLU A 13 -3.078 -10.424 0.316 1.00 41.51 C ATOM 188 C GLU A 13 -3.339 -8.907 0.299 1.00 62.43 C ATOM 189 O GLU A 13 -2.912 -8.176 1.200 1.00 61.42 O ATOM 190 CB GLU A 13 -1.951 -10.773 -0.704 1.00 43.22 C ATOM 191 CG GLU A 13 -0.573 -10.108 -0.437 1.00 23.01 C ATOM 192 CD GLU A 13 0.177 -10.666 0.790 1.00 72.34 C ATOM 193 OE1 GLU A 13 0.641 -11.827 0.722 1.00 63.25 O ATOM 194 OE2 GLU A 13 0.308 -9.957 1.813 1.00 23.24 O ATOM 0 H GLU A 13 -4.152 -11.878 -0.760 1.00 61.33 H new ATOM 0 HA GLU A 13 -2.771 -10.706 1.323 1.00 41.51 H new ATOM 0 HB2 GLU A 13 -1.816 -11.855 -0.713 1.00 43.22 H new ATOM 0 HB3 GLU A 13 -2.286 -10.485 -1.701 1.00 43.22 H new ATOM 0 HG2 GLU A 13 0.055 -10.234 -1.319 1.00 23.01 H new ATOM 0 HG3 GLU A 13 -0.721 -9.037 -0.301 1.00 23.01 H new ATOM 201 N ALA A 14 -4.089 -8.475 -0.732 1.00 21.11 N ATOM 202 CA ALA A 14 -4.439 -7.074 -0.969 1.00 4.34 C ATOM 203 C ALA A 14 -5.198 -6.451 0.219 1.00 1.45 C ATOM 204 O ALA A 14 -4.928 -5.309 0.597 1.00 12.12 O ATOM 205 CB ALA A 14 -5.284 -6.979 -2.247 1.00 33.34 C ATOM 0 H ALA A 14 -4.473 -9.108 -1.434 1.00 21.11 H new ATOM 0 HA ALA A 14 -3.514 -6.509 -1.084 1.00 4.34 H new ATOM 0 HB1 ALA A 14 -5.549 -5.938 -2.431 1.00 33.34 H new ATOM 0 HB2 ALA A 14 -4.711 -7.362 -3.091 1.00 33.34 H new ATOM 0 HB3 ALA A 14 -6.192 -7.569 -2.127 1.00 33.34 H new ATOM 211 N GLU A 15 -6.141 -7.230 0.802 1.00 65.13 N ATOM 212 CA GLU A 15 -7.033 -6.772 1.894 1.00 32.20 C ATOM 213 C GLU A 15 -6.238 -6.278 3.112 1.00 44.22 C ATOM 214 O GLU A 15 -6.599 -5.270 3.724 1.00 23.43 O ATOM 215 CB GLU A 15 -8.011 -7.903 2.314 1.00 55.22 C ATOM 216 CG GLU A 15 -8.854 -8.475 1.163 1.00 42.12 C ATOM 217 CD GLU A 15 -9.876 -9.520 1.636 1.00 63.20 C ATOM 218 OE1 GLU A 15 -9.455 -10.610 2.077 1.00 10.23 O ATOM 219 OE2 GLU A 15 -11.100 -9.256 1.583 1.00 22.30 O ATOM 0 H GLU A 15 -6.305 -8.198 0.526 1.00 65.13 H new ATOM 0 HA GLU A 15 -7.609 -5.930 1.510 1.00 32.20 H new ATOM 0 HB2 GLU A 15 -7.438 -8.713 2.765 1.00 55.22 H new ATOM 0 HB3 GLU A 15 -8.681 -7.520 3.083 1.00 55.22 H new ATOM 0 HG2 GLU A 15 -9.379 -7.661 0.663 1.00 42.12 H new ATOM 0 HG3 GLU A 15 -8.193 -8.928 0.425 1.00 42.12 H new ATOM 226 N LYS A 16 -5.144 -6.991 3.430 1.00 14.04 N ATOM 227 CA LYS A 16 -4.260 -6.644 4.555 1.00 73.23 C ATOM 228 C LYS A 16 -3.538 -5.310 4.298 1.00 51.00 C ATOM 229 O LYS A 16 -3.429 -4.477 5.188 1.00 3.22 O ATOM 230 CB LYS A 16 -3.215 -7.753 4.799 1.00 12.53 C ATOM 231 CG LYS A 16 -3.785 -9.128 5.206 1.00 14.20 C ATOM 232 CD LYS A 16 -2.668 -10.170 5.449 1.00 23.31 C ATOM 233 CE LYS A 16 -1.837 -10.446 4.184 1.00 14.32 C ATOM 234 NZ LYS A 16 -0.656 -11.310 4.449 1.00 74.53 N ATOM 0 H LYS A 16 -4.849 -7.821 2.916 1.00 14.04 H new ATOM 0 HA LYS A 16 -4.886 -6.544 5.442 1.00 73.23 H new ATOM 0 HB2 LYS A 16 -2.626 -7.878 3.891 1.00 12.53 H new ATOM 0 HB3 LYS A 16 -2.531 -7.418 5.579 1.00 12.53 H new ATOM 0 HG2 LYS A 16 -4.382 -9.019 6.111 1.00 14.20 H new ATOM 0 HG3 LYS A 16 -4.454 -9.489 4.424 1.00 14.20 H new ATOM 0 HD2 LYS A 16 -2.010 -9.815 6.242 1.00 23.31 H new ATOM 0 HD3 LYS A 16 -3.114 -11.102 5.798 1.00 23.31 H new ATOM 0 HE2 LYS A 16 -2.470 -10.923 3.436 1.00 14.32 H new ATOM 0 HE3 LYS A 16 -1.501 -9.499 3.761 1.00 14.32 H new ATOM 0 HZ1 LYS A 16 0.059 -11.156 3.710 1.00 74.53 H new ATOM 0 HZ2 LYS A 16 -0.252 -11.071 5.377 1.00 74.53 H new ATOM 0 HZ3 LYS A 16 -0.948 -12.308 4.445 1.00 74.53 H new ATOM 248 N ILE A 17 -3.073 -5.126 3.061 1.00 64.14 N ATOM 249 CA ILE A 17 -2.279 -3.949 2.667 1.00 34.30 C ATOM 250 C ILE A 17 -3.135 -2.674 2.781 1.00 25.35 C ATOM 251 O ILE A 17 -2.766 -1.695 3.465 1.00 22.22 O ATOM 252 CB ILE A 17 -1.735 -4.150 1.197 1.00 31.34 C ATOM 253 CG1 ILE A 17 -0.959 -5.510 1.083 1.00 43.32 C ATOM 254 CG2 ILE A 17 -0.865 -2.966 0.737 1.00 23.32 C ATOM 255 CD1 ILE A 17 0.051 -5.761 2.192 1.00 11.32 C ATOM 0 H ILE A 17 -3.234 -5.786 2.300 1.00 64.14 H new ATOM 0 HA ILE A 17 -1.426 -3.838 3.336 1.00 34.30 H new ATOM 0 HB ILE A 17 -2.593 -4.186 0.526 1.00 31.34 H new ATOM 0 HG12 ILE A 17 -1.682 -6.326 1.077 1.00 43.32 H new ATOM 0 HG13 ILE A 17 -0.440 -5.537 0.125 1.00 43.32 H new ATOM 0 HG21 ILE A 17 -0.512 -3.146 -0.279 1.00 23.32 H new ATOM 0 HG22 ILE A 17 -1.456 -2.050 0.759 1.00 23.32 H new ATOM 0 HG23 ILE A 17 -0.010 -2.862 1.405 1.00 23.32 H new ATOM 0 HD11 ILE A 17 0.538 -6.723 2.030 1.00 11.32 H new ATOM 0 HD12 ILE A 17 0.801 -4.970 2.187 1.00 11.32 H new ATOM 0 HD13 ILE A 17 -0.460 -5.770 3.155 1.00 11.32 H new ATOM 267 N ILE A 18 -4.323 -2.769 2.185 1.00 33.22 N ATOM 268 CA ILE A 18 -5.296 -1.681 2.130 1.00 44.34 C ATOM 269 C ILE A 18 -5.842 -1.371 3.538 1.00 15.02 C ATOM 270 O ILE A 18 -5.999 -0.198 3.878 1.00 33.52 O ATOM 271 CB ILE A 18 -6.455 -2.037 1.120 1.00 5.11 C ATOM 272 CG1 ILE A 18 -5.858 -2.373 -0.289 1.00 44.03 C ATOM 273 CG2 ILE A 18 -7.498 -0.893 1.017 1.00 0.35 C ATOM 274 CD1 ILE A 18 -6.862 -2.910 -1.295 1.00 14.33 C ATOM 0 H ILE A 18 -4.641 -3.619 1.719 1.00 33.22 H new ATOM 0 HA ILE A 18 -4.801 -0.780 1.766 1.00 44.34 H new ATOM 0 HB ILE A 18 -6.975 -2.915 1.502 1.00 5.11 H new ATOM 0 HG12 ILE A 18 -5.401 -1.472 -0.699 1.00 44.03 H new ATOM 0 HG13 ILE A 18 -5.061 -3.107 -0.165 1.00 44.03 H new ATOM 0 HG21 ILE A 18 -8.280 -1.176 0.312 1.00 0.35 H new ATOM 0 HG22 ILE A 18 -7.940 -0.715 1.997 1.00 0.35 H new ATOM 0 HG23 ILE A 18 -7.008 0.016 0.669 1.00 0.35 H new ATOM 0 HD11 ILE A 18 -6.357 -3.114 -2.239 1.00 14.33 H new ATOM 0 HD12 ILE A 18 -7.303 -3.831 -0.913 1.00 14.33 H new ATOM 0 HD13 ILE A 18 -7.647 -2.171 -1.455 1.00 14.33 H new ATOM 286 N ARG A 19 -6.068 -2.421 4.377 1.00 73.51 N ATOM 287 CA ARG A 19 -6.618 -2.226 5.734 1.00 52.35 C ATOM 288 C ARG A 19 -5.627 -1.429 6.590 1.00 53.32 C ATOM 289 O ARG A 19 -6.033 -0.522 7.301 1.00 10.15 O ATOM 290 CB ARG A 19 -7.008 -3.568 6.449 1.00 34.24 C ATOM 291 CG ARG A 19 -5.856 -4.324 7.155 1.00 62.30 C ATOM 292 CD ARG A 19 -6.304 -5.572 7.937 1.00 22.10 C ATOM 293 NE ARG A 19 -7.331 -5.286 8.961 1.00 34.33 N ATOM 294 CZ ARG A 19 -7.134 -4.644 10.134 1.00 31.34 C ATOM 295 NH1 ARG A 19 -5.929 -4.188 10.486 1.00 11.31 N ATOM 296 NH2 ARG A 19 -8.167 -4.456 10.947 1.00 23.31 N ATOM 0 H ARG A 19 -5.879 -3.394 4.135 1.00 73.51 H new ATOM 0 HA ARG A 19 -7.545 -1.664 5.619 1.00 52.35 H new ATOM 0 HB2 ARG A 19 -7.780 -3.351 7.188 1.00 34.24 H new ATOM 0 HB3 ARG A 19 -7.453 -4.234 5.710 1.00 34.24 H new ATOM 0 HG2 ARG A 19 -5.121 -4.622 6.408 1.00 62.30 H new ATOM 0 HG3 ARG A 19 -5.355 -3.641 7.840 1.00 62.30 H new ATOM 0 HD2 ARG A 19 -6.696 -6.309 7.236 1.00 22.10 H new ATOM 0 HD3 ARG A 19 -5.436 -6.020 8.419 1.00 22.10 H new ATOM 0 HE ARG A 19 -8.280 -5.604 8.763 1.00 34.33 H new ATOM 0 HH11 ARG A 19 -5.132 -4.321 9.864 1.00 11.31 H new ATOM 0 HH12 ARG A 19 -5.806 -3.707 11.377 1.00 11.31 H new ATOM 0 HH21 ARG A 19 -9.092 -4.794 10.683 1.00 23.31 H new ATOM 0 HH22 ARG A 19 -8.035 -3.973 11.836 1.00 23.31 H new ATOM 310 N GLU A 20 -4.314 -1.754 6.475 1.00 41.34 N ATOM 311 CA GLU A 20 -3.268 -1.099 7.269 1.00 22.32 C ATOM 312 C GLU A 20 -3.191 0.392 6.950 1.00 15.20 C ATOM 313 O GLU A 20 -3.179 1.220 7.870 1.00 5.22 O ATOM 314 CB GLU A 20 -1.891 -1.772 7.051 1.00 31.42 C ATOM 315 CG GLU A 20 -1.800 -3.239 7.528 1.00 2.21 C ATOM 316 CD GLU A 20 -2.110 -3.455 9.026 1.00 44.02 C ATOM 317 OE1 GLU A 20 -1.236 -3.168 9.870 1.00 54.13 O ATOM 318 OE2 GLU A 20 -3.222 -3.930 9.367 1.00 22.00 O ATOM 0 H GLU A 20 -3.964 -2.468 5.836 1.00 41.34 H new ATOM 0 HA GLU A 20 -3.536 -1.212 8.320 1.00 22.32 H new ATOM 0 HB2 GLU A 20 -1.649 -1.735 5.989 1.00 31.42 H new ATOM 0 HB3 GLU A 20 -1.131 -1.188 7.571 1.00 31.42 H new ATOM 0 HG2 GLU A 20 -2.491 -3.841 6.938 1.00 2.21 H new ATOM 0 HG3 GLU A 20 -0.797 -3.611 7.322 1.00 2.21 H new ATOM 325 N ILE A 21 -3.168 0.729 5.647 1.00 11.43 N ATOM 326 CA ILE A 21 -3.111 2.130 5.214 1.00 63.30 C ATOM 327 C ILE A 21 -4.384 2.893 5.664 1.00 12.11 C ATOM 328 O ILE A 21 -4.297 4.051 6.050 1.00 42.41 O ATOM 329 CB ILE A 21 -2.916 2.260 3.662 1.00 4.12 C ATOM 330 CG1 ILE A 21 -1.727 1.374 3.159 1.00 20.43 C ATOM 331 CG2 ILE A 21 -2.697 3.735 3.252 1.00 35.41 C ATOM 332 CD1 ILE A 21 -0.382 1.666 3.807 1.00 25.15 C ATOM 0 H ILE A 21 -3.188 0.053 4.884 1.00 11.43 H new ATOM 0 HA ILE A 21 -2.241 2.580 5.692 1.00 63.30 H new ATOM 0 HB ILE A 21 -3.830 1.901 3.189 1.00 4.12 H new ATOM 0 HG12 ILE A 21 -1.976 0.327 3.333 1.00 20.43 H new ATOM 0 HG13 ILE A 21 -1.629 1.504 2.081 1.00 20.43 H new ATOM 0 HG21 ILE A 21 -2.565 3.797 2.172 1.00 35.41 H new ATOM 0 HG22 ILE A 21 -3.564 4.327 3.546 1.00 35.41 H new ATOM 0 HG23 ILE A 21 -1.808 4.123 3.749 1.00 35.41 H new ATOM 0 HD11 ILE A 21 0.374 1.000 3.391 1.00 25.15 H new ATOM 0 HD12 ILE A 21 -0.101 2.701 3.612 1.00 25.15 H new ATOM 0 HD13 ILE A 21 -0.454 1.506 4.883 1.00 25.15 H new ATOM 344 N ARG A 22 -5.555 2.218 5.619 1.00 11.34 N ATOM 345 CA ARG A 22 -6.846 2.801 6.063 1.00 42.41 C ATOM 346 C ARG A 22 -6.906 3.007 7.598 1.00 75.10 C ATOM 347 O ARG A 22 -7.541 3.952 8.067 1.00 41.04 O ATOM 348 CB ARG A 22 -8.051 1.929 5.604 1.00 14.22 C ATOM 349 CG ARG A 22 -8.319 1.923 4.077 1.00 45.21 C ATOM 350 CD ARG A 22 -9.530 1.054 3.683 1.00 4.25 C ATOM 351 NE ARG A 22 -10.793 1.547 4.269 1.00 11.24 N ATOM 352 CZ ARG A 22 -12.031 1.302 3.798 1.00 60.13 C ATOM 353 NH1 ARG A 22 -12.230 0.549 2.711 1.00 42.11 N ATOM 354 NH2 ARG A 22 -13.066 1.841 4.423 1.00 21.21 N ATOM 0 H ARG A 22 -5.634 1.260 5.277 1.00 11.34 H new ATOM 0 HA ARG A 22 -6.914 3.780 5.590 1.00 42.41 H new ATOM 0 HB2 ARG A 22 -7.882 0.903 5.931 1.00 14.22 H new ATOM 0 HB3 ARG A 22 -8.948 2.281 6.113 1.00 14.22 H new ATOM 0 HG2 ARG A 22 -8.487 2.946 3.739 1.00 45.21 H new ATOM 0 HG3 ARG A 22 -7.432 1.557 3.559 1.00 45.21 H new ATOM 0 HD2 ARG A 22 -9.621 1.033 2.597 1.00 4.25 H new ATOM 0 HD3 ARG A 22 -9.358 0.028 4.008 1.00 4.25 H new ATOM 0 HE ARG A 22 -10.721 2.125 5.106 1.00 11.24 H new ATOM 0 HH11 ARG A 22 -11.434 0.145 2.218 1.00 42.11 H new ATOM 0 HH12 ARG A 22 -13.178 0.379 2.375 1.00 42.11 H new ATOM 0 HH21 ARG A 22 -12.917 2.428 5.244 1.00 21.21 H new ATOM 0 HH22 ARG A 22 -14.013 1.669 4.084 1.00 21.21 H new ATOM 368 N GLU A 23 -6.263 2.121 8.380 1.00 72.14 N ATOM 369 CA GLU A 23 -6.301 2.196 9.862 1.00 52.32 C ATOM 370 C GLU A 23 -5.466 3.381 10.375 1.00 51.54 C ATOM 371 O GLU A 23 -5.856 4.066 11.332 1.00 2.13 O ATOM 372 CB GLU A 23 -5.824 0.866 10.506 1.00 45.12 C ATOM 373 CG GLU A 23 -6.784 -0.332 10.314 1.00 24.41 C ATOM 374 CD GLU A 23 -8.205 -0.070 10.851 1.00 62.15 C ATOM 375 OE1 GLU A 23 -8.450 -0.283 12.060 1.00 30.11 O ATOM 376 OE2 GLU A 23 -9.086 0.364 10.065 1.00 45.14 O ATOM 0 H GLU A 23 -5.711 1.344 8.017 1.00 72.14 H new ATOM 0 HA GLU A 23 -7.338 2.357 10.158 1.00 52.32 H new ATOM 0 HB2 GLU A 23 -4.852 0.605 10.087 1.00 45.12 H new ATOM 0 HB3 GLU A 23 -5.678 1.028 11.574 1.00 45.12 H new ATOM 0 HG2 GLU A 23 -6.843 -0.574 9.253 1.00 24.41 H new ATOM 0 HG3 GLU A 23 -6.369 -1.205 10.817 1.00 24.41 H new ATOM 383 N GLN A 24 -4.325 3.611 9.719 1.00 74.14 N ATOM 384 CA GLN A 24 -3.388 4.694 10.068 1.00 2.11 C ATOM 385 C GLN A 24 -3.874 6.018 9.439 1.00 44.23 C ATOM 386 O GLN A 24 -3.997 7.043 10.118 1.00 51.32 O ATOM 387 CB GLN A 24 -1.964 4.323 9.574 1.00 54.33 C ATOM 388 CG GLN A 24 -1.463 2.946 10.053 1.00 73.24 C ATOM 389 CD GLN A 24 -0.213 2.467 9.308 1.00 2.14 C ATOM 390 OE1 GLN A 24 -0.308 1.805 8.275 1.00 62.01 O ATOM 391 NE2 GLN A 24 0.965 2.790 9.814 1.00 2.52 N ATOM 0 H GLN A 24 -4.019 3.049 8.924 1.00 74.14 H new ATOM 0 HA GLN A 24 -3.351 4.825 11.149 1.00 2.11 H new ATOM 0 HB2 GLN A 24 -1.955 4.341 8.484 1.00 54.33 H new ATOM 0 HB3 GLN A 24 -1.265 5.088 9.911 1.00 54.33 H new ATOM 0 HG2 GLN A 24 -1.245 2.997 11.120 1.00 73.24 H new ATOM 0 HG3 GLN A 24 -2.259 2.212 9.924 1.00 73.24 H new ATOM 0 HE21 GLN A 24 1.018 3.340 10.672 1.00 2.52 H new ATOM 0 HE22 GLN A 24 1.820 2.490 9.347 1.00 2.52 H new ATOM 400 N TRP A 25 -4.167 5.963 8.128 1.00 13.15 N ATOM 401 CA TRP A 25 -4.666 7.108 7.336 1.00 62.23 C ATOM 402 C TRP A 25 -6.045 6.743 6.724 1.00 31.24 C ATOM 403 O TRP A 25 -6.104 6.176 5.628 1.00 2.14 O ATOM 404 CB TRP A 25 -3.656 7.472 6.216 1.00 34.34 C ATOM 405 CG TRP A 25 -2.245 7.706 6.700 1.00 21.34 C ATOM 406 CD1 TRP A 25 -1.721 8.864 7.201 1.00 44.42 C ATOM 407 CD2 TRP A 25 -1.174 6.742 6.726 1.00 64.02 C ATOM 408 NE1 TRP A 25 -0.413 8.667 7.569 1.00 63.32 N ATOM 409 CE2 TRP A 25 -0.051 7.380 7.275 1.00 4.55 C ATOM 410 CE3 TRP A 25 -1.068 5.400 6.335 1.00 43.21 C ATOM 411 CZ2 TRP A 25 1.161 6.723 7.461 1.00 51.11 C ATOM 412 CZ3 TRP A 25 0.137 4.748 6.516 1.00 64.23 C ATOM 413 CH2 TRP A 25 1.239 5.411 7.072 1.00 61.44 C ATOM 0 H TRP A 25 -4.063 5.110 7.578 1.00 13.15 H new ATOM 0 HA TRP A 25 -4.778 7.976 7.986 1.00 62.23 H new ATOM 0 HB2 TRP A 25 -3.646 6.670 5.478 1.00 34.34 H new ATOM 0 HB3 TRP A 25 -4.006 8.370 5.706 1.00 34.34 H new ATOM 0 HD1 TRP A 25 -2.257 9.797 7.294 1.00 44.42 H new ATOM 0 HE1 TRP A 25 0.193 9.369 7.994 1.00 63.32 H new ATOM 0 HE3 TRP A 25 -1.912 4.885 5.900 1.00 43.21 H new ATOM 0 HZ2 TRP A 25 2.010 7.229 7.896 1.00 51.11 H new ATOM 0 HZ3 TRP A 25 0.231 3.712 6.225 1.00 64.23 H new ATOM 0 HH2 TRP A 25 2.169 4.877 7.197 1.00 61.44 H new ATOM 424 N PRO A 26 -7.182 7.032 7.432 1.00 40.52 N ATOM 425 CA PRO A 26 -8.548 6.672 6.940 1.00 44.14 C ATOM 426 C PRO A 26 -8.999 7.512 5.726 1.00 63.34 C ATOM 427 O PRO A 26 -9.933 7.137 5.012 1.00 50.24 O ATOM 428 CB PRO A 26 -9.440 6.912 8.183 1.00 15.33 C ATOM 429 CG PRO A 26 -8.718 7.972 8.969 1.00 31.21 C ATOM 430 CD PRO A 26 -7.238 7.703 8.764 1.00 31.24 C ATOM 0 HA PRO A 26 -8.597 5.650 6.565 1.00 44.14 H new ATOM 0 HB2 PRO A 26 -10.439 7.242 7.897 1.00 15.33 H new ATOM 0 HB3 PRO A 26 -9.561 5.999 8.766 1.00 15.33 H new ATOM 0 HG2 PRO A 26 -8.986 8.969 8.619 1.00 31.21 H new ATOM 0 HG3 PRO A 26 -8.982 7.923 10.025 1.00 31.21 H new ATOM 0 HD2 PRO A 26 -6.658 8.626 8.772 1.00 31.24 H new ATOM 0 HD3 PRO A 26 -6.834 7.066 9.551 1.00 31.24 H new ATOM 438 N LYS A 27 -8.312 8.636 5.507 1.00 22.11 N ATOM 439 CA LYS A 27 -8.597 9.592 4.430 1.00 11.03 C ATOM 440 C LYS A 27 -7.617 9.432 3.247 1.00 64.21 C ATOM 441 O LYS A 27 -7.440 10.362 2.458 1.00 24.12 O ATOM 442 CB LYS A 27 -8.548 11.032 5.017 1.00 34.41 C ATOM 443 CG LYS A 27 -9.714 11.378 5.979 1.00 35.43 C ATOM 444 CD LYS A 27 -11.095 11.372 5.273 1.00 50.43 C ATOM 445 CE LYS A 27 -11.183 12.384 4.117 1.00 45.53 C ATOM 446 NZ LYS A 27 -12.462 12.277 3.375 1.00 52.11 N ATOM 0 H LYS A 27 -7.521 8.915 6.088 1.00 22.11 H new ATOM 0 HA LYS A 27 -9.592 9.394 4.031 1.00 11.03 H new ATOM 0 HB2 LYS A 27 -7.605 11.161 5.549 1.00 34.41 H new ATOM 0 HB3 LYS A 27 -8.550 11.746 4.193 1.00 34.41 H new ATOM 0 HG2 LYS A 27 -9.727 10.661 6.800 1.00 35.43 H new ATOM 0 HG3 LYS A 27 -9.539 12.361 6.417 1.00 35.43 H new ATOM 0 HD2 LYS A 27 -11.297 10.372 4.889 1.00 50.43 H new ATOM 0 HD3 LYS A 27 -11.872 11.595 6.004 1.00 50.43 H new ATOM 0 HE2 LYS A 27 -11.078 13.394 4.512 1.00 45.53 H new ATOM 0 HE3 LYS A 27 -10.352 12.222 3.430 1.00 45.53 H new ATOM 0 HZ1 LYS A 27 -12.477 12.977 2.606 1.00 52.11 H new ATOM 0 HZ2 LYS A 27 -12.552 11.321 2.975 1.00 52.11 H new ATOM 0 HZ3 LYS A 27 -13.255 12.457 4.023 1.00 52.11 H new ATOM 460 N ALA A 28 -7.039 8.226 3.087 1.00 30.32 N ATOM 461 CA ALA A 28 -5.962 7.988 2.097 1.00 73.10 C ATOM 462 C ALA A 28 -6.537 7.189 0.922 1.00 55.10 C ATOM 463 O ALA A 28 -6.999 6.058 1.139 1.00 3.14 O ATOM 464 CB ALA A 28 -4.783 7.242 2.737 1.00 0.40 C ATOM 0 H ALA A 28 -7.297 7.401 3.628 1.00 30.32 H new ATOM 0 HA ALA A 28 -5.585 8.945 1.737 1.00 73.10 H new ATOM 0 HB1 ALA A 28 -4.006 7.080 1.990 1.00 0.40 H new ATOM 0 HB2 ALA A 28 -4.379 7.835 3.557 1.00 0.40 H new ATOM 0 HB3 ALA A 28 -5.125 6.280 3.119 1.00 0.40 H new ATOM 470 N THR A 29 -6.575 7.773 -0.301 1.00 11.41 N ATOM 471 CA THR A 29 -7.056 7.054 -1.487 1.00 72.15 C ATOM 472 C THR A 29 -6.136 5.872 -1.849 1.00 54.30 C ATOM 473 O THR A 29 -5.019 6.053 -2.352 1.00 74.31 O ATOM 474 CB THR A 29 -7.199 8.017 -2.708 1.00 41.11 C ATOM 475 OG1 THR A 29 -8.003 9.145 -2.329 1.00 32.24 O ATOM 476 CG2 THR A 29 -7.850 7.318 -3.922 1.00 51.35 C ATOM 0 H THR A 29 -6.279 8.732 -0.482 1.00 11.41 H new ATOM 0 HA THR A 29 -8.039 6.653 -1.240 1.00 72.15 H new ATOM 0 HB THR A 29 -6.199 8.336 -3.000 1.00 41.11 H new ATOM 0 HG1 THR A 29 -8.094 9.753 -3.092 1.00 32.24 H new ATOM 0 HG21 THR A 29 -7.930 8.024 -4.749 1.00 51.35 H new ATOM 0 HG22 THR A 29 -7.235 6.471 -4.227 1.00 51.35 H new ATOM 0 HG23 THR A 29 -8.844 6.965 -3.649 1.00 51.35 H new ATOM 484 N VAL A 30 -6.613 4.668 -1.518 1.00 71.11 N ATOM 485 CA VAL A 30 -6.016 3.400 -1.940 1.00 34.14 C ATOM 486 C VAL A 30 -7.018 2.687 -2.863 1.00 61.43 C ATOM 487 O VAL A 30 -8.113 2.316 -2.413 1.00 61.01 O ATOM 488 CB VAL A 30 -5.685 2.469 -0.712 1.00 65.23 C ATOM 489 CG1 VAL A 30 -4.892 1.214 -1.151 1.00 3.14 C ATOM 490 CG2 VAL A 30 -4.927 3.236 0.391 1.00 12.42 C ATOM 0 H VAL A 30 -7.442 4.547 -0.937 1.00 71.11 H new ATOM 0 HA VAL A 30 -5.078 3.608 -2.456 1.00 34.14 H new ATOM 0 HB VAL A 30 -6.636 2.137 -0.295 1.00 65.23 H new ATOM 0 HG11 VAL A 30 -4.680 0.594 -0.280 1.00 3.14 H new ATOM 0 HG12 VAL A 30 -5.482 0.643 -1.868 1.00 3.14 H new ATOM 0 HG13 VAL A 30 -3.954 1.520 -1.615 1.00 3.14 H new ATOM 0 HG21 VAL A 30 -4.715 2.563 1.222 1.00 12.42 H new ATOM 0 HG22 VAL A 30 -3.990 3.621 -0.012 1.00 12.42 H new ATOM 0 HG23 VAL A 30 -5.539 4.066 0.743 1.00 12.42 H new ATOM 500 N THR A 31 -6.661 2.516 -4.138 1.00 74.21 N ATOM 501 CA THR A 31 -7.492 1.808 -5.112 1.00 43.22 C ATOM 502 C THR A 31 -7.057 0.337 -5.169 1.00 24.30 C ATOM 503 O THR A 31 -5.862 0.040 -5.316 1.00 41.14 O ATOM 504 CB THR A 31 -7.339 2.470 -6.521 1.00 62.14 C ATOM 505 OG1 THR A 31 -7.803 3.833 -6.458 1.00 3.44 O ATOM 506 CG2 THR A 31 -8.107 1.728 -7.628 1.00 51.00 C ATOM 0 H THR A 31 -5.784 2.866 -4.524 1.00 74.21 H new ATOM 0 HA THR A 31 -8.538 1.864 -4.812 1.00 43.22 H new ATOM 0 HB THR A 31 -6.281 2.424 -6.780 1.00 62.14 H new ATOM 0 HG1 THR A 31 -7.707 4.252 -7.339 1.00 3.44 H new ATOM 0 HG21 THR A 31 -7.959 2.239 -8.579 1.00 51.00 H new ATOM 0 HG22 THR A 31 -7.738 0.705 -7.704 1.00 51.00 H new ATOM 0 HG23 THR A 31 -9.170 1.713 -7.386 1.00 51.00 H new ATOM 514 N ARG A 32 -8.031 -0.577 -5.058 1.00 13.52 N ATOM 515 CA ARG A 32 -7.779 -2.015 -5.120 1.00 20.42 C ATOM 516 C ARG A 32 -7.722 -2.427 -6.592 1.00 20.44 C ATOM 517 O ARG A 32 -8.624 -2.085 -7.371 1.00 42.12 O ATOM 518 CB ARG A 32 -8.899 -2.776 -4.378 1.00 73.00 C ATOM 519 CG ARG A 32 -8.790 -4.317 -4.431 1.00 63.45 C ATOM 520 CD ARG A 32 -9.924 -5.002 -3.656 1.00 53.43 C ATOM 521 NE ARG A 32 -11.265 -4.631 -4.156 1.00 3.21 N ATOM 522 CZ ARG A 32 -12.330 -4.326 -3.390 1.00 34.33 C ATOM 523 NH1 ARG A 32 -12.255 -4.345 -2.056 1.00 65.21 N ATOM 524 NH2 ARG A 32 -13.476 -4.014 -3.976 1.00 35.33 N ATOM 0 H ARG A 32 -9.013 -0.336 -4.923 1.00 13.52 H new ATOM 0 HA ARG A 32 -6.833 -2.259 -4.637 1.00 20.42 H new ATOM 0 HB2 ARG A 32 -8.900 -2.463 -3.334 1.00 73.00 H new ATOM 0 HB3 ARG A 32 -9.859 -2.480 -4.800 1.00 73.00 H new ATOM 0 HG2 ARG A 32 -8.811 -4.646 -5.470 1.00 63.45 H new ATOM 0 HG3 ARG A 32 -7.830 -4.627 -4.018 1.00 63.45 H new ATOM 0 HD2 ARG A 32 -9.802 -6.083 -3.723 1.00 53.43 H new ATOM 0 HD3 ARG A 32 -9.849 -4.738 -2.601 1.00 53.43 H new ATOM 0 HE ARG A 32 -11.395 -4.604 -5.167 1.00 3.21 H new ATOM 0 HH11 ARG A 32 -11.378 -4.594 -1.598 1.00 65.21 H new ATOM 0 HH12 ARG A 32 -13.074 -4.110 -1.496 1.00 65.21 H new ATOM 0 HH21 ARG A 32 -13.543 -4.007 -4.994 1.00 35.33 H new ATOM 0 HH22 ARG A 32 -14.292 -3.781 -3.410 1.00 35.33 H new ATOM 538 N THR A 33 -6.642 -3.104 -6.971 1.00 4.14 N ATOM 539 CA THR A 33 -6.410 -3.572 -8.335 1.00 11.34 C ATOM 540 C THR A 33 -5.840 -4.997 -8.234 1.00 70.12 C ATOM 541 O THR A 33 -5.007 -5.259 -7.354 1.00 34.43 O ATOM 542 CB THR A 33 -5.436 -2.591 -9.077 1.00 12.32 C ATOM 543 OG1 THR A 33 -5.916 -1.238 -8.939 1.00 52.34 O ATOM 544 CG2 THR A 33 -5.280 -2.909 -10.568 1.00 3.24 C ATOM 0 H THR A 33 -5.889 -3.348 -6.327 1.00 4.14 H new ATOM 0 HA THR A 33 -7.331 -3.593 -8.918 1.00 11.34 H new ATOM 0 HB THR A 33 -4.457 -2.712 -8.613 1.00 12.32 H new ATOM 0 HG1 THR A 33 -5.415 -0.784 -8.229 1.00 52.34 H new ATOM 0 HG21 THR A 33 -4.594 -2.194 -11.023 1.00 3.24 H new ATOM 0 HG22 THR A 33 -4.884 -3.918 -10.685 1.00 3.24 H new ATOM 0 HG23 THR A 33 -6.251 -2.842 -11.058 1.00 3.24 H new ATOM 552 N ASN A 34 -6.320 -5.943 -9.062 1.00 54.01 N ATOM 553 CA ASN A 34 -5.814 -7.324 -9.024 1.00 2.41 C ATOM 554 C ASN A 34 -4.366 -7.350 -9.558 1.00 51.13 C ATOM 555 O ASN A 34 -4.137 -7.208 -10.762 1.00 74.12 O ATOM 556 CB ASN A 34 -6.740 -8.269 -9.834 1.00 21.41 C ATOM 557 CG ASN A 34 -8.166 -8.335 -9.271 1.00 30.34 C ATOM 558 OD1 ASN A 34 -9.052 -7.582 -9.680 1.00 53.44 O ATOM 559 ND2 ASN A 34 -8.383 -9.211 -8.301 1.00 41.32 N ATOM 0 H ASN A 34 -7.048 -5.778 -9.757 1.00 54.01 H new ATOM 0 HA ASN A 34 -5.811 -7.684 -7.995 1.00 2.41 H new ATOM 0 HB2 ASN A 34 -6.779 -7.931 -10.870 1.00 21.41 H new ATOM 0 HB3 ASN A 34 -6.311 -9.271 -9.841 1.00 21.41 H new ATOM 0 HD21 ASN A 34 -9.305 -9.276 -7.870 1.00 41.32 H new ATOM 0 HD22 ASN A 34 -7.628 -9.820 -7.985 1.00 41.32 H new ATOM 566 N GLY A 35 -3.397 -7.501 -8.633 1.00 63.11 N ATOM 567 CA GLY A 35 -1.968 -7.530 -8.967 1.00 50.42 C ATOM 568 C GLY A 35 -1.215 -6.340 -8.398 1.00 41.21 C ATOM 569 O GLY A 35 -0.076 -6.480 -7.961 1.00 71.02 O ATOM 0 H GLY A 35 -3.588 -7.606 -7.636 1.00 63.11 H new ATOM 0 HA2 GLY A 35 -1.527 -8.451 -8.586 1.00 50.42 H new ATOM 0 HA3 GLY A 35 -1.851 -7.546 -10.051 1.00 50.42 H new ATOM 573 N ASP A 36 -1.854 -5.158 -8.418 1.00 61.03 N ATOM 574 CA ASP A 36 -1.236 -3.885 -7.967 1.00 55.43 C ATOM 575 C ASP A 36 -2.098 -3.235 -6.871 1.00 43.32 C ATOM 576 O ASP A 36 -3.313 -3.223 -6.962 1.00 72.31 O ATOM 577 CB ASP A 36 -1.090 -2.875 -9.151 1.00 1.35 C ATOM 578 CG ASP A 36 -0.094 -3.282 -10.257 1.00 1.24 C ATOM 579 OD1 ASP A 36 -0.281 -4.349 -10.885 1.00 22.43 O ATOM 580 OD2 ASP A 36 0.867 -2.519 -10.522 1.00 25.03 O ATOM 0 H ASP A 36 -2.814 -5.051 -8.746 1.00 61.03 H new ATOM 0 HA ASP A 36 -0.246 -4.122 -7.576 1.00 55.43 H new ATOM 0 HB2 ASP A 36 -2.070 -2.731 -9.605 1.00 1.35 H new ATOM 0 HB3 ASP A 36 -0.782 -1.911 -8.746 1.00 1.35 H new ATOM 585 N ILE A 37 -1.462 -2.702 -5.831 1.00 71.41 N ATOM 586 CA ILE A 37 -2.143 -1.845 -4.843 1.00 24.11 C ATOM 587 C ILE A 37 -1.780 -0.402 -5.169 1.00 44.55 C ATOM 588 O ILE A 37 -0.679 0.032 -4.864 1.00 54.40 O ATOM 589 CB ILE A 37 -1.722 -2.210 -3.363 1.00 52.13 C ATOM 590 CG1 ILE A 37 -2.039 -3.706 -3.066 1.00 4.34 C ATOM 591 CG2 ILE A 37 -2.383 -1.273 -2.315 1.00 4.21 C ATOM 592 CD1 ILE A 37 -3.501 -4.070 -3.192 1.00 10.13 C ATOM 0 H ILE A 37 -0.470 -2.845 -5.643 1.00 71.41 H new ATOM 0 HA ILE A 37 -3.221 -1.996 -4.901 1.00 24.11 H new ATOM 0 HB ILE A 37 -0.646 -2.058 -3.278 1.00 52.13 H new ATOM 0 HG12 ILE A 37 -1.461 -4.330 -3.748 1.00 4.34 H new ATOM 0 HG13 ILE A 37 -1.704 -3.943 -2.056 1.00 4.34 H new ATOM 0 HG21 ILE A 37 -2.063 -1.564 -1.314 1.00 4.21 H new ATOM 0 HG22 ILE A 37 -2.083 -0.243 -2.507 1.00 4.21 H new ATOM 0 HG23 ILE A 37 -3.468 -1.354 -2.387 1.00 4.21 H new ATOM 0 HD11 ILE A 37 -3.633 -5.129 -2.969 1.00 10.13 H new ATOM 0 HD12 ILE A 37 -4.086 -3.475 -2.490 1.00 10.13 H new ATOM 0 HD13 ILE A 37 -3.840 -3.869 -4.208 1.00 10.13 H new ATOM 604 N LYS A 38 -2.716 0.342 -5.782 1.00 74.11 N ATOM 605 CA LYS A 38 -2.486 1.748 -6.140 1.00 25.30 C ATOM 606 C LYS A 38 -2.837 2.622 -4.933 1.00 1.11 C ATOM 607 O LYS A 38 -3.846 2.394 -4.268 1.00 23.44 O ATOM 608 CB LYS A 38 -3.292 2.148 -7.411 1.00 54.44 C ATOM 609 CG LYS A 38 -2.646 1.684 -8.744 1.00 23.21 C ATOM 610 CD LYS A 38 -3.245 2.397 -9.980 1.00 73.41 C ATOM 611 CE LYS A 38 -4.725 2.056 -10.229 1.00 63.53 C ATOM 612 NZ LYS A 38 -4.913 0.635 -10.620 1.00 44.04 N ATOM 0 H LYS A 38 -3.639 -0.009 -6.039 1.00 74.11 H new ATOM 0 HA LYS A 38 -1.436 1.898 -6.391 1.00 25.30 H new ATOM 0 HB2 LYS A 38 -4.295 1.726 -7.340 1.00 54.44 H new ATOM 0 HB3 LYS A 38 -3.403 3.232 -7.432 1.00 54.44 H new ATOM 0 HG2 LYS A 38 -1.573 1.871 -8.707 1.00 23.21 H new ATOM 0 HG3 LYS A 38 -2.778 0.607 -8.851 1.00 23.21 H new ATOM 0 HD2 LYS A 38 -3.146 3.475 -9.851 1.00 73.41 H new ATOM 0 HD3 LYS A 38 -2.665 2.126 -10.862 1.00 73.41 H new ATOM 0 HE2 LYS A 38 -5.301 2.263 -9.327 1.00 63.53 H new ATOM 0 HE3 LYS A 38 -5.119 2.702 -11.013 1.00 63.53 H new ATOM 0 HZ1 LYS A 38 -5.514 0.585 -11.467 1.00 44.04 H new ATOM 0 HZ2 LYS A 38 -3.988 0.206 -10.826 1.00 44.04 H new ATOM 0 HZ3 LYS A 38 -5.368 0.118 -9.841 1.00 44.04 H new ATOM 626 N LEU A 39 -1.963 3.590 -4.648 1.00 20.21 N ATOM 627 CA LEU A 39 -2.039 4.443 -3.457 1.00 31.52 C ATOM 628 C LEU A 39 -1.619 5.864 -3.873 1.00 31.45 C ATOM 629 O LEU A 39 -0.667 6.023 -4.635 1.00 1.35 O ATOM 630 CB LEU A 39 -1.100 3.833 -2.359 1.00 14.32 C ATOM 631 CG LEU A 39 -1.339 4.233 -0.861 1.00 45.42 C ATOM 632 CD1 LEU A 39 -0.519 3.322 0.078 1.00 3.44 C ATOM 633 CD2 LEU A 39 -1.008 5.712 -0.585 1.00 61.44 C ATOM 0 H LEU A 39 -1.168 3.808 -5.249 1.00 20.21 H new ATOM 0 HA LEU A 39 -3.045 4.494 -3.041 1.00 31.52 H new ATOM 0 HB2 LEU A 39 -1.172 2.748 -2.427 1.00 14.32 H new ATOM 0 HB3 LEU A 39 -0.075 4.101 -2.614 1.00 14.32 H new ATOM 0 HG LEU A 39 -2.402 4.097 -0.663 1.00 45.42 H new ATOM 0 HD11 LEU A 39 -0.696 3.613 1.113 1.00 3.44 H new ATOM 0 HD12 LEU A 39 -0.823 2.285 -0.065 1.00 3.44 H new ATOM 0 HD13 LEU A 39 0.542 3.424 -0.151 1.00 3.44 H new ATOM 0 HD21 LEU A 39 -1.191 5.936 0.466 1.00 61.44 H new ATOM 0 HD22 LEU A 39 0.040 5.900 -0.819 1.00 61.44 H new ATOM 0 HD23 LEU A 39 -1.638 6.348 -1.206 1.00 61.44 H new ATOM 645 N ASP A 40 -2.316 6.885 -3.359 1.00 74.05 N ATOM 646 CA ASP A 40 -2.005 8.305 -3.638 1.00 52.32 C ATOM 647 C ASP A 40 -1.465 8.941 -2.352 1.00 23.43 C ATOM 648 O ASP A 40 -2.233 9.192 -1.415 1.00 60.12 O ATOM 649 CB ASP A 40 -3.264 9.080 -4.125 1.00 20.35 C ATOM 650 CG ASP A 40 -3.828 8.592 -5.469 1.00 32.34 C ATOM 651 OD1 ASP A 40 -3.356 9.054 -6.533 1.00 20.42 O ATOM 652 OD2 ASP A 40 -4.758 7.762 -5.476 1.00 0.13 O ATOM 0 H ASP A 40 -3.114 6.757 -2.736 1.00 74.05 H new ATOM 0 HA ASP A 40 -1.262 8.357 -4.434 1.00 52.32 H new ATOM 0 HB2 ASP A 40 -4.043 8.998 -3.367 1.00 20.35 H new ATOM 0 HB3 ASP A 40 -3.014 10.137 -4.212 1.00 20.35 H new ATOM 657 N ALA A 41 -0.146 9.161 -2.295 1.00 31.41 N ATOM 658 CA ALA A 41 0.510 9.773 -1.125 1.00 52.44 C ATOM 659 C ALA A 41 0.505 11.302 -1.253 1.00 33.10 C ATOM 660 O ALA A 41 0.967 11.844 -2.268 1.00 10.33 O ATOM 661 CB ALA A 41 1.942 9.240 -0.968 1.00 70.20 C ATOM 0 H ALA A 41 0.496 8.923 -3.051 1.00 31.41 H new ATOM 0 HA ALA A 41 -0.049 9.502 -0.230 1.00 52.44 H new ATOM 0 HB1 ALA A 41 2.410 9.703 -0.099 1.00 70.20 H new ATOM 0 HB2 ALA A 41 1.915 8.159 -0.832 1.00 70.20 H new ATOM 0 HB3 ALA A 41 2.519 9.479 -1.861 1.00 70.20 H new ATOM 667 N GLN A 42 -0.014 11.989 -0.213 1.00 41.13 N ATOM 668 CA GLN A 42 -0.115 13.467 -0.191 1.00 75.21 C ATOM 669 C GLN A 42 1.266 14.141 -0.015 1.00 31.23 C ATOM 670 O GLN A 42 1.415 15.335 -0.298 1.00 50.51 O ATOM 671 CB GLN A 42 -1.107 13.939 0.911 1.00 41.24 C ATOM 672 CG GLN A 42 -2.529 13.355 0.784 1.00 4.40 C ATOM 673 CD GLN A 42 -3.231 13.689 -0.542 1.00 23.05 C ATOM 674 OE1 GLN A 42 -3.025 14.750 -1.129 1.00 51.35 O ATOM 675 NE2 GLN A 42 -4.046 12.772 -1.030 1.00 2.13 N ATOM 0 H GLN A 42 -0.373 11.540 0.630 1.00 41.13 H new ATOM 0 HA GLN A 42 -0.504 13.778 -1.161 1.00 75.21 H new ATOM 0 HB2 GLN A 42 -0.702 13.668 1.886 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -1.171 15.027 0.883 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -2.476 12.272 0.891 1.00 4.40 H new ATOM 0 HG3 GLN A 42 -3.138 13.727 1.608 1.00 4.40 H new ATOM 0 HE21 GLN A 42 -4.197 11.901 -0.521 1.00 2.13 H new ATOM 0 HE22 GLN A 42 -4.524 12.934 -1.916 1.00 2.13 H new ATOM 684 N THR A 43 2.254 13.365 0.472 1.00 35.44 N ATOM 685 CA THR A 43 3.659 13.789 0.522 1.00 32.35 C ATOM 686 C THR A 43 4.592 12.557 0.564 1.00 14.21 C ATOM 687 O THR A 43 4.135 11.415 0.729 1.00 72.14 O ATOM 688 CB THR A 43 3.953 14.761 1.725 1.00 55.10 C ATOM 689 OG1 THR A 43 5.269 15.323 1.584 1.00 1.32 O ATOM 690 CG2 THR A 43 3.844 14.067 3.094 1.00 64.23 C ATOM 0 H THR A 43 2.096 12.427 0.841 1.00 35.44 H new ATOM 0 HA THR A 43 3.859 14.352 -0.389 1.00 32.35 H new ATOM 0 HB THR A 43 3.194 15.543 1.693 1.00 55.10 H new ATOM 0 HG1 THR A 43 5.428 15.552 0.644 1.00 1.32 H new ATOM 0 HG21 THR A 43 4.057 14.786 3.885 1.00 64.23 H new ATOM 0 HG22 THR A 43 2.836 13.674 3.223 1.00 64.23 H new ATOM 0 HG23 THR A 43 4.562 13.248 3.145 1.00 64.23 H new ATOM 698 N GLU A 44 5.900 12.822 0.417 1.00 1.42 N ATOM 699 CA GLU A 44 6.959 11.803 0.355 1.00 64.14 C ATOM 700 C GLU A 44 7.159 11.112 1.707 1.00 64.33 C ATOM 701 O GLU A 44 7.330 9.893 1.755 1.00 21.32 O ATOM 702 CB GLU A 44 8.299 12.442 -0.117 1.00 14.30 C ATOM 703 CG GLU A 44 8.355 12.813 -1.619 1.00 71.40 C ATOM 704 CD GLU A 44 7.277 13.813 -2.084 1.00 22.35 C ATOM 705 OE1 GLU A 44 7.214 14.934 -1.536 1.00 41.33 O ATOM 706 OE2 GLU A 44 6.506 13.493 -3.008 1.00 51.02 O ATOM 0 H GLU A 44 6.259 13.773 0.336 1.00 1.42 H new ATOM 0 HA GLU A 44 6.645 11.048 -0.366 1.00 64.14 H new ATOM 0 HB2 GLU A 44 8.482 13.342 0.471 1.00 14.30 H new ATOM 0 HB3 GLU A 44 9.111 11.748 0.101 1.00 14.30 H new ATOM 0 HG2 GLU A 44 9.337 13.233 -1.838 1.00 71.40 H new ATOM 0 HG3 GLU A 44 8.260 11.900 -2.207 1.00 71.40 H new ATOM 713 N LYS A 45 7.144 11.904 2.801 1.00 24.32 N ATOM 714 CA LYS A 45 7.372 11.387 4.164 1.00 5.25 C ATOM 715 C LYS A 45 6.284 10.376 4.533 1.00 72.14 C ATOM 716 O LYS A 45 6.569 9.321 5.102 1.00 73.31 O ATOM 717 CB LYS A 45 7.404 12.552 5.191 1.00 63.43 C ATOM 718 CG LYS A 45 7.868 12.161 6.618 1.00 3.14 C ATOM 719 CD LYS A 45 9.355 11.713 6.680 1.00 45.24 C ATOM 720 CE LYS A 45 10.344 12.825 6.288 1.00 71.13 C ATOM 721 NZ LYS A 45 11.756 12.381 6.366 1.00 72.41 N ATOM 0 H LYS A 45 6.975 12.909 2.764 1.00 24.32 H new ATOM 0 HA LYS A 45 8.339 10.884 4.189 1.00 5.25 H new ATOM 0 HB2 LYS A 45 8.065 13.331 4.812 1.00 63.43 H new ATOM 0 HB3 LYS A 45 6.406 12.985 5.257 1.00 63.43 H new ATOM 0 HG2 LYS A 45 7.724 13.011 7.285 1.00 3.14 H new ATOM 0 HG3 LYS A 45 7.237 11.354 6.989 1.00 3.14 H new ATOM 0 HD2 LYS A 45 9.583 11.374 7.690 1.00 45.24 H new ATOM 0 HD3 LYS A 45 9.498 10.859 6.017 1.00 45.24 H new ATOM 0 HE2 LYS A 45 10.127 13.159 5.273 1.00 71.13 H new ATOM 0 HE3 LYS A 45 10.199 13.683 6.944 1.00 71.13 H new ATOM 0 HZ1 LYS A 45 12.382 13.165 6.093 1.00 72.41 H new ATOM 0 HZ2 LYS A 45 11.974 12.087 7.339 1.00 72.41 H new ATOM 0 HZ3 LYS A 45 11.904 11.579 5.721 1.00 72.41 H new ATOM 735 N GLU A 46 5.033 10.737 4.192 1.00 43.34 N ATOM 736 CA GLU A 46 3.868 9.873 4.393 1.00 51.35 C ATOM 737 C GLU A 46 4.015 8.578 3.581 1.00 13.44 C ATOM 738 O GLU A 46 3.768 7.492 4.108 1.00 30.54 O ATOM 739 CB GLU A 46 2.551 10.629 4.021 1.00 41.02 C ATOM 740 CG GLU A 46 1.369 10.338 4.971 1.00 33.32 C ATOM 741 CD GLU A 46 1.577 10.915 6.390 1.00 23.13 C ATOM 742 OE1 GLU A 46 2.179 10.233 7.253 1.00 43.20 O ATOM 743 OE2 GLU A 46 1.137 12.056 6.648 1.00 11.11 O ATOM 0 H GLU A 46 4.807 11.638 3.770 1.00 43.34 H new ATOM 0 HA GLU A 46 3.811 9.604 5.448 1.00 51.35 H new ATOM 0 HB2 GLU A 46 2.748 11.701 4.020 1.00 41.02 H new ATOM 0 HB3 GLU A 46 2.263 10.357 3.006 1.00 41.02 H new ATOM 0 HG2 GLU A 46 0.457 10.756 4.545 1.00 33.32 H new ATOM 0 HG3 GLU A 46 1.223 9.260 5.041 1.00 33.32 H new ATOM 750 N ALA A 47 4.412 8.725 2.297 1.00 72.52 N ATOM 751 CA ALA A 47 4.691 7.593 1.390 1.00 72.34 C ATOM 752 C ALA A 47 5.643 6.560 2.018 1.00 53.41 C ATOM 753 O ALA A 47 5.346 5.362 1.991 1.00 23.55 O ATOM 754 CB ALA A 47 5.257 8.097 0.049 1.00 3.14 C ATOM 0 H ALA A 47 4.548 9.637 1.861 1.00 72.52 H new ATOM 0 HA ALA A 47 3.741 7.090 1.209 1.00 72.34 H new ATOM 0 HB1 ALA A 47 5.456 7.247 -0.604 1.00 3.14 H new ATOM 0 HB2 ALA A 47 4.533 8.759 -0.426 1.00 3.14 H new ATOM 0 HB3 ALA A 47 6.184 8.642 0.227 1.00 3.14 H new ATOM 760 N GLU A 48 6.758 7.044 2.608 1.00 53.53 N ATOM 761 CA GLU A 48 7.779 6.188 3.244 1.00 25.15 C ATOM 762 C GLU A 48 7.172 5.264 4.312 1.00 61.44 C ATOM 763 O GLU A 48 7.552 4.100 4.425 1.00 4.31 O ATOM 764 CB GLU A 48 8.890 7.054 3.895 1.00 74.31 C ATOM 765 CG GLU A 48 9.633 7.999 2.932 1.00 52.31 C ATOM 766 CD GLU A 48 10.310 7.288 1.742 1.00 11.25 C ATOM 767 OE1 GLU A 48 11.436 6.769 1.903 1.00 72.14 O ATOM 768 OE2 GLU A 48 9.732 7.271 0.634 1.00 0.41 O ATOM 0 H GLU A 48 6.974 8.040 2.656 1.00 53.53 H new ATOM 0 HA GLU A 48 8.206 5.569 2.455 1.00 25.15 H new ATOM 0 HB2 GLU A 48 8.444 7.650 4.691 1.00 74.31 H new ATOM 0 HB3 GLU A 48 9.618 6.391 4.362 1.00 74.31 H new ATOM 0 HG2 GLU A 48 8.927 8.735 2.547 1.00 52.31 H new ATOM 0 HG3 GLU A 48 10.391 8.547 3.492 1.00 52.31 H new ATOM 775 N LYS A 49 6.221 5.808 5.084 1.00 65.44 N ATOM 776 CA LYS A 49 5.568 5.101 6.203 1.00 51.01 C ATOM 777 C LYS A 49 4.538 4.087 5.671 1.00 14.32 C ATOM 778 O LYS A 49 4.409 2.979 6.188 1.00 42.41 O ATOM 779 CB LYS A 49 4.849 6.130 7.091 1.00 21.11 C ATOM 780 CG LYS A 49 5.698 7.336 7.515 1.00 21.21 C ATOM 781 CD LYS A 49 4.840 8.384 8.260 1.00 71.31 C ATOM 782 CE LYS A 49 5.574 9.699 8.539 1.00 2.42 C ATOM 783 NZ LYS A 49 4.669 10.724 9.127 1.00 11.43 N ATOM 0 H LYS A 49 5.878 6.759 4.951 1.00 65.44 H new ATOM 0 HA LYS A 49 6.325 4.567 6.777 1.00 51.01 H new ATOM 0 HB2 LYS A 49 3.970 6.494 6.559 1.00 21.11 H new ATOM 0 HB3 LYS A 49 4.491 5.625 7.988 1.00 21.11 H new ATOM 0 HG2 LYS A 49 6.512 7.003 8.159 1.00 21.21 H new ATOM 0 HG3 LYS A 49 6.153 7.792 6.636 1.00 21.21 H new ATOM 0 HD2 LYS A 49 3.948 8.595 7.670 1.00 71.31 H new ATOM 0 HD3 LYS A 49 4.504 7.959 9.206 1.00 71.31 H new ATOM 0 HE2 LYS A 49 6.405 9.514 9.220 1.00 2.42 H new ATOM 0 HE3 LYS A 49 6.001 10.081 7.612 1.00 2.42 H new ATOM 0 HZ1 LYS A 49 5.104 11.664 9.037 1.00 11.43 H new ATOM 0 HZ2 LYS A 49 3.759 10.714 8.623 1.00 11.43 H new ATOM 0 HZ3 LYS A 49 4.510 10.511 10.133 1.00 11.43 H new ATOM 797 N MET A 50 3.776 4.559 4.670 1.00 44.22 N ATOM 798 CA MET A 50 2.749 3.773 3.954 1.00 51.54 C ATOM 799 C MET A 50 3.326 2.444 3.430 1.00 34.43 C ATOM 800 O MET A 50 2.929 1.363 3.879 1.00 72.30 O ATOM 801 CB MET A 50 2.130 4.604 2.795 1.00 21.52 C ATOM 802 CG MET A 50 1.227 5.747 3.258 1.00 25.05 C ATOM 803 SD MET A 50 0.713 6.826 1.914 1.00 73.31 S ATOM 804 CE MET A 50 -0.558 7.796 2.719 1.00 72.11 C ATOM 0 H MET A 50 3.856 5.516 4.327 1.00 44.22 H new ATOM 0 HA MET A 50 1.957 3.533 4.663 1.00 51.54 H new ATOM 0 HB2 MET A 50 2.936 5.016 2.187 1.00 21.52 H new ATOM 0 HB3 MET A 50 1.554 3.938 2.152 1.00 21.52 H new ATOM 0 HG2 MET A 50 0.343 5.331 3.741 1.00 25.05 H new ATOM 0 HG3 MET A 50 1.753 6.337 4.009 1.00 25.05 H new ATOM 0 HE1 MET A 50 -0.697 8.733 2.180 1.00 72.11 H new ATOM 0 HE2 MET A 50 -1.494 7.238 2.723 1.00 72.11 H new ATOM 0 HE3 MET A 50 -0.258 8.009 3.745 1.00 72.11 H new ATOM 814 N GLU A 51 4.304 2.555 2.517 1.00 41.34 N ATOM 815 CA GLU A 51 4.989 1.405 1.904 1.00 60.14 C ATOM 816 C GLU A 51 5.750 0.559 2.951 1.00 34.14 C ATOM 817 O GLU A 51 5.896 -0.651 2.781 1.00 43.33 O ATOM 818 CB GLU A 51 5.944 1.924 0.783 1.00 43.31 C ATOM 819 CG GLU A 51 7.092 2.815 1.298 1.00 3.21 C ATOM 820 CD GLU A 51 7.877 3.557 0.206 1.00 21.23 C ATOM 821 OE1 GLU A 51 7.342 4.529 -0.369 1.00 24.23 O ATOM 822 OE2 GLU A 51 9.040 3.186 -0.065 1.00 32.35 O ATOM 0 H GLU A 51 4.645 3.455 2.180 1.00 41.34 H new ATOM 0 HA GLU A 51 4.243 0.743 1.465 1.00 60.14 H new ATOM 0 HB2 GLU A 51 6.369 1.069 0.258 1.00 43.31 H new ATOM 0 HB3 GLU A 51 5.360 2.487 0.055 1.00 43.31 H new ATOM 0 HG2 GLU A 51 6.680 3.549 1.990 1.00 3.21 H new ATOM 0 HG3 GLU A 51 7.786 2.195 1.866 1.00 3.21 H new ATOM 829 N LYS A 52 6.222 1.205 4.055 1.00 45.45 N ATOM 830 CA LYS A 52 6.935 0.525 5.147 1.00 71.12 C ATOM 831 C LYS A 52 5.981 -0.396 5.925 1.00 1.21 C ATOM 832 O LYS A 52 6.328 -1.533 6.255 1.00 43.15 O ATOM 833 CB LYS A 52 7.588 1.560 6.102 1.00 20.10 C ATOM 834 CG LYS A 52 8.426 0.956 7.248 1.00 12.13 C ATOM 835 CD LYS A 52 9.128 2.035 8.115 1.00 42.34 C ATOM 836 CE LYS A 52 10.054 1.419 9.176 1.00 22.43 C ATOM 837 NZ LYS A 52 10.786 2.442 9.969 1.00 12.30 N ATOM 0 H LYS A 52 6.113 2.209 4.201 1.00 45.45 H new ATOM 0 HA LYS A 52 7.725 -0.086 4.710 1.00 71.12 H new ATOM 0 HB2 LYS A 52 8.226 2.220 5.515 1.00 20.10 H new ATOM 0 HB3 LYS A 52 6.802 2.178 6.535 1.00 20.10 H new ATOM 0 HG2 LYS A 52 7.780 0.350 7.883 1.00 12.13 H new ATOM 0 HG3 LYS A 52 9.178 0.288 6.829 1.00 12.13 H new ATOM 0 HD2 LYS A 52 9.707 2.696 7.470 1.00 42.34 H new ATOM 0 HD3 LYS A 52 8.374 2.650 8.607 1.00 42.34 H new ATOM 0 HE2 LYS A 52 9.464 0.798 9.850 1.00 22.43 H new ATOM 0 HE3 LYS A 52 10.774 0.763 8.686 1.00 22.43 H new ATOM 0 HZ1 LYS A 52 11.394 1.970 10.668 1.00 12.30 H new ATOM 0 HZ2 LYS A 52 11.373 3.019 9.333 1.00 12.30 H new ATOM 0 HZ3 LYS A 52 10.104 3.053 10.461 1.00 12.30 H new ATOM 851 N ALA A 53 4.767 0.114 6.184 1.00 5.34 N ATOM 852 CA ALA A 53 3.698 -0.625 6.878 1.00 40.24 C ATOM 853 C ALA A 53 3.318 -1.890 6.093 1.00 2.41 C ATOM 854 O ALA A 53 2.988 -2.926 6.676 1.00 13.24 O ATOM 855 CB ALA A 53 2.485 0.292 7.072 1.00 74.21 C ATOM 0 H ALA A 53 4.496 1.060 5.915 1.00 5.34 H new ATOM 0 HA ALA A 53 4.056 -0.942 7.857 1.00 40.24 H new ATOM 0 HB1 ALA A 53 1.694 -0.255 7.585 1.00 74.21 H new ATOM 0 HB2 ALA A 53 2.775 1.157 7.669 1.00 74.21 H new ATOM 0 HB3 ALA A 53 2.123 0.627 6.100 1.00 74.21 H new ATOM 861 N VAL A 54 3.390 -1.770 4.760 1.00 73.02 N ATOM 862 CA VAL A 54 3.199 -2.883 3.830 1.00 2.30 C ATOM 863 C VAL A 54 4.336 -3.920 3.979 1.00 74.22 C ATOM 864 O VAL A 54 4.079 -5.122 4.028 1.00 52.13 O ATOM 865 CB VAL A 54 3.146 -2.350 2.356 1.00 31.23 C ATOM 866 CG1 VAL A 54 3.002 -3.498 1.342 1.00 31.54 C ATOM 867 CG2 VAL A 54 2.013 -1.306 2.183 1.00 22.52 C ATOM 0 H VAL A 54 3.585 -0.884 4.295 1.00 73.02 H new ATOM 0 HA VAL A 54 2.254 -3.371 4.066 1.00 2.30 H new ATOM 0 HB VAL A 54 4.095 -1.854 2.153 1.00 31.23 H new ATOM 0 HG11 VAL A 54 2.969 -3.089 0.332 1.00 31.54 H new ATOM 0 HG12 VAL A 54 3.853 -4.172 1.433 1.00 31.54 H new ATOM 0 HG13 VAL A 54 2.082 -4.047 1.542 1.00 31.54 H new ATOM 0 HG21 VAL A 54 1.998 -0.953 1.152 1.00 22.52 H new ATOM 0 HG22 VAL A 54 1.054 -1.766 2.423 1.00 22.52 H new ATOM 0 HG23 VAL A 54 2.189 -0.464 2.853 1.00 22.52 H new ATOM 877 N LYS A 55 5.591 -3.423 4.048 1.00 23.12 N ATOM 878 CA LYS A 55 6.808 -4.266 4.212 1.00 2.14 C ATOM 879 C LYS A 55 6.769 -5.091 5.528 1.00 34.11 C ATOM 880 O LYS A 55 7.407 -6.140 5.625 1.00 41.31 O ATOM 881 CB LYS A 55 8.093 -3.384 4.154 1.00 43.34 C ATOM 882 CG LYS A 55 8.313 -2.671 2.802 1.00 73.02 C ATOM 883 CD LYS A 55 9.398 -1.579 2.881 1.00 23.20 C ATOM 884 CE LYS A 55 10.828 -2.131 3.039 1.00 41.32 C ATOM 885 NZ LYS A 55 11.248 -2.961 1.871 1.00 72.24 N ATOM 0 H LYS A 55 5.794 -2.425 3.992 1.00 23.12 H new ATOM 0 HA LYS A 55 6.830 -4.976 3.385 1.00 2.14 H new ATOM 0 HB2 LYS A 55 8.041 -2.634 4.943 1.00 43.34 H new ATOM 0 HB3 LYS A 55 8.959 -4.010 4.367 1.00 43.34 H new ATOM 0 HG2 LYS A 55 8.596 -3.406 2.049 1.00 73.02 H new ATOM 0 HG3 LYS A 55 7.375 -2.224 2.474 1.00 73.02 H new ATOM 0 HD2 LYS A 55 9.352 -0.969 1.979 1.00 23.20 H new ATOM 0 HD3 LYS A 55 9.178 -0.922 3.722 1.00 23.20 H new ATOM 0 HE2 LYS A 55 11.524 -1.301 3.161 1.00 41.32 H new ATOM 0 HE3 LYS A 55 10.885 -2.731 3.947 1.00 41.32 H new ATOM 0 HZ1 LYS A 55 12.261 -3.183 1.949 1.00 72.24 H new ATOM 0 HZ2 LYS A 55 10.700 -3.845 1.858 1.00 72.24 H new ATOM 0 HZ3 LYS A 55 11.076 -2.434 0.991 1.00 72.24 H new ATOM 899 N LYS A 56 6.015 -4.586 6.530 1.00 31.30 N ATOM 900 CA LYS A 56 5.755 -5.308 7.793 1.00 13.33 C ATOM 901 C LYS A 56 4.815 -6.517 7.546 1.00 53.04 C ATOM 902 O LYS A 56 5.011 -7.593 8.120 1.00 12.42 O ATOM 903 CB LYS A 56 5.167 -4.334 8.880 1.00 31.32 C ATOM 904 CG LYS A 56 6.183 -3.636 9.842 1.00 12.52 C ATOM 905 CD LYS A 56 7.110 -2.565 9.199 1.00 51.24 C ATOM 906 CE LYS A 56 8.327 -3.146 8.451 1.00 75.12 C ATOM 907 NZ LYS A 56 9.212 -3.957 9.345 1.00 72.25 N ATOM 0 H LYS A 56 5.571 -3.669 6.485 1.00 31.30 H new ATOM 0 HA LYS A 56 6.701 -5.694 8.173 1.00 13.33 H new ATOM 0 HB2 LYS A 56 4.601 -3.557 8.366 1.00 31.32 H new ATOM 0 HB3 LYS A 56 4.458 -4.896 9.488 1.00 31.32 H new ATOM 0 HG2 LYS A 56 5.623 -3.164 10.649 1.00 12.52 H new ATOM 0 HG3 LYS A 56 6.809 -4.404 10.295 1.00 12.52 H new ATOM 0 HD2 LYS A 56 6.524 -1.964 8.504 1.00 51.24 H new ATOM 0 HD3 LYS A 56 7.465 -1.893 9.980 1.00 51.24 H new ATOM 0 HE2 LYS A 56 7.980 -3.768 7.626 1.00 75.12 H new ATOM 0 HE3 LYS A 56 8.905 -2.331 8.014 1.00 75.12 H new ATOM 0 HZ1 LYS A 56 10.140 -4.083 8.893 1.00 72.25 H new ATOM 0 HZ2 LYS A 56 9.333 -3.465 10.253 1.00 72.25 H new ATOM 0 HZ3 LYS A 56 8.779 -4.888 9.511 1.00 72.25 H new ATOM 921 N VAL A 57 3.806 -6.314 6.681 1.00 62.15 N ATOM 922 CA VAL A 57 2.816 -7.358 6.316 1.00 50.14 C ATOM 923 C VAL A 57 3.424 -8.383 5.329 1.00 51.04 C ATOM 924 O VAL A 57 3.033 -9.555 5.303 1.00 43.15 O ATOM 925 CB VAL A 57 1.528 -6.708 5.686 1.00 11.01 C ATOM 926 CG1 VAL A 57 0.434 -7.760 5.398 1.00 4.52 C ATOM 927 CG2 VAL A 57 0.975 -5.595 6.599 1.00 11.32 C ATOM 0 H VAL A 57 3.649 -5.422 6.211 1.00 62.15 H new ATOM 0 HA VAL A 57 2.537 -7.882 7.230 1.00 50.14 H new ATOM 0 HB VAL A 57 1.822 -6.268 4.733 1.00 11.01 H new ATOM 0 HG11 VAL A 57 -0.437 -7.269 4.964 1.00 4.52 H new ATOM 0 HG12 VAL A 57 0.818 -8.502 4.699 1.00 4.52 H new ATOM 0 HG13 VAL A 57 0.148 -8.251 6.328 1.00 4.52 H new ATOM 0 HG21 VAL A 57 0.085 -5.160 6.144 1.00 11.32 H new ATOM 0 HG22 VAL A 57 0.717 -6.016 7.571 1.00 11.32 H new ATOM 0 HG23 VAL A 57 1.732 -4.821 6.729 1.00 11.32 H new ATOM 937 N LYS A 58 4.399 -7.911 4.539 1.00 65.13 N ATOM 938 CA LYS A 58 5.049 -8.698 3.482 1.00 35.11 C ATOM 939 C LYS A 58 6.468 -8.141 3.214 1.00 64.24 C ATOM 940 O LYS A 58 6.618 -7.124 2.535 1.00 63.42 O ATOM 941 CB LYS A 58 4.167 -8.742 2.193 1.00 71.52 C ATOM 942 CG LYS A 58 3.545 -7.390 1.762 1.00 75.43 C ATOM 943 CD LYS A 58 2.577 -7.533 0.565 1.00 61.14 C ATOM 944 CE LYS A 58 3.275 -7.890 -0.741 1.00 31.20 C ATOM 945 NZ LYS A 58 2.306 -8.243 -1.790 1.00 20.53 N ATOM 0 H LYS A 58 4.762 -6.961 4.617 1.00 65.13 H new ATOM 0 HA LYS A 58 5.156 -9.731 3.814 1.00 35.11 H new ATOM 0 HB2 LYS A 58 4.775 -9.121 1.371 1.00 71.52 H new ATOM 0 HB3 LYS A 58 3.361 -9.459 2.350 1.00 71.52 H new ATOM 0 HG2 LYS A 58 3.010 -6.955 2.606 1.00 75.43 H new ATOM 0 HG3 LYS A 58 4.343 -6.696 1.498 1.00 75.43 H new ATOM 0 HD2 LYS A 58 1.838 -8.301 0.795 1.00 61.14 H new ATOM 0 HD3 LYS A 58 2.034 -6.597 0.433 1.00 61.14 H new ATOM 0 HE2 LYS A 58 3.882 -7.047 -1.073 1.00 31.20 H new ATOM 0 HE3 LYS A 58 3.954 -8.726 -0.575 1.00 31.20 H new ATOM 0 HZ1 LYS A 58 2.668 -9.048 -2.340 1.00 20.53 H new ATOM 0 HZ2 LYS A 58 1.399 -8.502 -1.352 1.00 20.53 H new ATOM 0 HZ3 LYS A 58 2.165 -7.428 -2.421 1.00 20.53 H new ATOM 959 N PRO A 59 7.554 -8.792 3.768 1.00 43.42 N ATOM 960 CA PRO A 59 8.970 -8.365 3.540 1.00 43.43 C ATOM 961 C PRO A 59 9.450 -8.568 2.082 1.00 14.44 C ATOM 962 O PRO A 59 10.554 -8.150 1.717 1.00 60.21 O ATOM 963 CB PRO A 59 9.783 -9.247 4.532 1.00 2.04 C ATOM 964 CG PRO A 59 8.765 -9.800 5.492 1.00 15.14 C ATOM 965 CD PRO A 59 7.494 -9.955 4.688 1.00 63.01 C ATOM 0 HA PRO A 59 9.094 -7.295 3.705 1.00 43.43 H new ATOM 0 HB2 PRO A 59 10.307 -10.047 4.009 1.00 2.04 H new ATOM 0 HB3 PRO A 59 10.538 -8.659 5.054 1.00 2.04 H new ATOM 0 HG2 PRO A 59 9.090 -10.757 5.901 1.00 15.14 H new ATOM 0 HG3 PRO A 59 8.616 -9.127 6.336 1.00 15.14 H new ATOM 0 HD2 PRO A 59 7.469 -10.900 4.146 1.00 63.01 H new ATOM 0 HD3 PRO A 59 6.607 -9.927 5.321 1.00 63.01 H new ATOM 973 N ASN A 60 8.614 -9.231 1.269 1.00 54.42 N ATOM 974 CA ASN A 60 8.874 -9.465 -0.168 1.00 54.01 C ATOM 975 C ASN A 60 8.045 -8.491 -1.041 1.00 31.33 C ATOM 976 O ASN A 60 7.912 -8.706 -2.259 1.00 22.43 O ATOM 977 CB ASN A 60 8.548 -10.943 -0.517 1.00 24.22 C ATOM 978 CG ASN A 60 9.376 -11.950 0.294 1.00 43.15 C ATOM 979 OD1 ASN A 60 8.975 -12.370 1.379 1.00 11.35 O ATOM 980 ND2 ASN A 60 10.540 -12.338 -0.210 1.00 3.44 N ATOM 0 H ASN A 60 7.729 -9.625 1.589 1.00 54.42 H new ATOM 0 HA ASN A 60 9.927 -9.277 -0.377 1.00 54.01 H new ATOM 0 HB2 ASN A 60 7.488 -11.127 -0.340 1.00 24.22 H new ATOM 0 HB3 ASN A 60 8.727 -11.107 -1.580 1.00 24.22 H new ATOM 0 HD21 ASN A 60 11.124 -12.998 0.304 1.00 3.44 H new ATOM 0 HD22 ASN A 60 10.851 -11.976 -1.111 1.00 3.44 H new ATOM 987 N ALA A 61 7.496 -7.422 -0.406 1.00 73.14 N ATOM 988 CA ALA A 61 6.720 -6.373 -1.098 1.00 1.05 C ATOM 989 C ALA A 61 7.536 -5.709 -2.236 1.00 61.22 C ATOM 990 O ALA A 61 8.558 -5.055 -1.985 1.00 75.14 O ATOM 991 CB ALA A 61 6.238 -5.310 -0.090 1.00 20.32 C ATOM 0 H ALA A 61 7.582 -7.269 0.599 1.00 73.14 H new ATOM 0 HA ALA A 61 5.853 -6.851 -1.553 1.00 1.05 H new ATOM 0 HB1 ALA A 61 5.668 -4.543 -0.614 1.00 20.32 H new ATOM 0 HB2 ALA A 61 5.606 -5.782 0.662 1.00 20.32 H new ATOM 0 HB3 ALA A 61 7.100 -4.852 0.396 1.00 20.32 H new ATOM 997 N THR A 62 7.071 -5.913 -3.478 1.00 43.00 N ATOM 998 CA THR A 62 7.648 -5.303 -4.676 1.00 53.34 C ATOM 999 C THR A 62 6.879 -4.002 -4.965 1.00 23.22 C ATOM 1000 O THR A 62 5.767 -4.026 -5.497 1.00 34.14 O ATOM 1001 CB THR A 62 7.550 -6.315 -5.871 1.00 54.10 C ATOM 1002 OG1 THR A 62 8.242 -7.529 -5.525 1.00 31.22 O ATOM 1003 CG2 THR A 62 8.132 -5.754 -7.179 1.00 12.31 C ATOM 0 H THR A 62 6.272 -6.516 -3.676 1.00 43.00 H new ATOM 0 HA THR A 62 8.702 -5.065 -4.532 1.00 53.34 H new ATOM 0 HB THR A 62 6.491 -6.506 -6.045 1.00 54.10 H new ATOM 0 HG1 THR A 62 8.181 -8.164 -6.269 1.00 31.22 H new ATOM 0 HG21 THR A 62 8.036 -6.499 -7.969 1.00 12.31 H new ATOM 0 HG22 THR A 62 7.588 -4.853 -7.462 1.00 12.31 H new ATOM 0 HG23 THR A 62 9.185 -5.512 -7.034 1.00 12.31 H new ATOM 1011 N ILE A 63 7.473 -2.864 -4.567 1.00 14.03 N ATOM 1012 CA ILE A 63 6.813 -1.552 -4.575 1.00 32.24 C ATOM 1013 C ILE A 63 7.414 -0.671 -5.682 1.00 45.44 C ATOM 1014 O ILE A 63 8.635 -0.618 -5.842 1.00 31.41 O ATOM 1015 CB ILE A 63 6.966 -0.872 -3.156 1.00 4.33 C ATOM 1016 CG1 ILE A 63 6.325 -1.801 -2.070 1.00 13.42 C ATOM 1017 CG2 ILE A 63 6.344 0.550 -3.126 1.00 53.35 C ATOM 1018 CD1 ILE A 63 6.554 -1.387 -0.634 1.00 70.12 C ATOM 0 H ILE A 63 8.434 -2.831 -4.228 1.00 14.03 H new ATOM 0 HA ILE A 63 5.750 -1.677 -4.782 1.00 32.24 H new ATOM 0 HB ILE A 63 8.027 -0.747 -2.940 1.00 4.33 H new ATOM 0 HG12 ILE A 63 5.251 -1.849 -2.248 1.00 13.42 H new ATOM 0 HG13 ILE A 63 6.716 -2.810 -2.205 1.00 13.42 H new ATOM 0 HG21 ILE A 63 6.471 0.982 -2.133 1.00 53.35 H new ATOM 0 HG22 ILE A 63 6.842 1.181 -3.862 1.00 53.35 H new ATOM 0 HG23 ILE A 63 5.282 0.487 -3.362 1.00 53.35 H new ATOM 0 HD11 ILE A 63 6.067 -2.099 0.032 1.00 70.12 H new ATOM 0 HD12 ILE A 63 7.624 -1.369 -0.427 1.00 70.12 H new ATOM 0 HD13 ILE A 63 6.136 -0.394 -0.471 1.00 70.12 H new ATOM 1030 N ARG A 64 6.529 -0.028 -6.457 1.00 5.04 N ATOM 1031 CA ARG A 64 6.886 0.898 -7.536 1.00 41.33 C ATOM 1032 C ARG A 64 6.497 2.313 -7.103 1.00 32.22 C ATOM 1033 O ARG A 64 5.316 2.583 -6.854 1.00 30.41 O ATOM 1034 CB ARG A 64 6.153 0.538 -8.873 1.00 23.14 C ATOM 1035 CG ARG A 64 6.717 -0.669 -9.667 1.00 3.13 C ATOM 1036 CD ARG A 64 6.541 -2.042 -8.980 1.00 70.44 C ATOM 1037 NE ARG A 64 6.893 -3.156 -9.885 1.00 52.13 N ATOM 1038 CZ ARG A 64 8.132 -3.650 -10.075 1.00 1.04 C ATOM 1039 NH1 ARG A 64 9.183 -3.147 -9.427 1.00 40.53 N ATOM 1040 NH2 ARG A 64 8.306 -4.652 -10.917 1.00 23.41 N ATOM 0 H ARG A 64 5.521 -0.142 -6.347 1.00 5.04 H new ATOM 0 HA ARG A 64 7.958 0.828 -7.720 1.00 41.33 H new ATOM 0 HB2 ARG A 64 5.106 0.337 -8.645 1.00 23.14 H new ATOM 0 HB3 ARG A 64 6.176 1.414 -9.521 1.00 23.14 H new ATOM 0 HG2 ARG A 64 6.231 -0.702 -10.642 1.00 3.13 H new ATOM 0 HG3 ARG A 64 7.779 -0.503 -9.846 1.00 3.13 H new ATOM 0 HD2 ARG A 64 7.167 -2.086 -8.089 1.00 70.44 H new ATOM 0 HD3 ARG A 64 5.508 -2.154 -8.650 1.00 70.44 H new ATOM 0 HE ARG A 64 6.133 -3.588 -10.411 1.00 52.13 H new ATOM 0 HH11 ARG A 64 9.057 -2.374 -8.773 1.00 40.53 H new ATOM 0 HH12 ARG A 64 10.113 -3.535 -9.585 1.00 40.53 H new ATOM 0 HH21 ARG A 64 7.507 -5.044 -11.416 1.00 23.41 H new ATOM 0 HH22 ARG A 64 9.239 -5.034 -11.069 1.00 23.41 H new ATOM 1054 N LYS A 65 7.493 3.200 -6.993 1.00 22.00 N ATOM 1055 CA LYS A 65 7.243 4.627 -6.775 1.00 54.41 C ATOM 1056 C LYS A 65 6.970 5.276 -8.139 1.00 4.15 C ATOM 1057 O LYS A 65 7.903 5.589 -8.893 1.00 30.31 O ATOM 1058 CB LYS A 65 8.469 5.289 -6.092 1.00 24.31 C ATOM 1059 CG LYS A 65 8.641 4.940 -4.599 1.00 20.41 C ATOM 1060 CD LYS A 65 10.025 5.369 -4.062 1.00 10.35 C ATOM 1061 CE LYS A 65 10.214 5.046 -2.577 1.00 71.12 C ATOM 1062 NZ LYS A 65 9.291 5.826 -1.717 1.00 2.10 N ATOM 0 H LYS A 65 8.481 2.953 -7.052 1.00 22.00 H new ATOM 0 HA LYS A 65 6.383 4.764 -6.119 1.00 54.41 H new ATOM 0 HB2 LYS A 65 9.371 4.991 -6.627 1.00 24.31 H new ATOM 0 HB3 LYS A 65 8.383 6.371 -6.191 1.00 24.31 H new ATOM 0 HG2 LYS A 65 7.859 5.430 -4.019 1.00 20.41 H new ATOM 0 HG3 LYS A 65 8.515 3.866 -4.460 1.00 20.41 H new ATOM 0 HD2 LYS A 65 10.804 4.870 -4.639 1.00 10.35 H new ATOM 0 HD3 LYS A 65 10.152 6.441 -4.215 1.00 10.35 H new ATOM 0 HE2 LYS A 65 10.049 3.981 -2.414 1.00 71.12 H new ATOM 0 HE3 LYS A 65 11.244 5.257 -2.288 1.00 71.12 H new ATOM 0 HZ1 LYS A 65 9.767 6.065 -0.824 1.00 2.10 H new ATOM 0 HZ2 LYS A 65 9.016 6.701 -2.207 1.00 2.10 H new ATOM 0 HZ3 LYS A 65 8.442 5.260 -1.516 1.00 2.10 H new ATOM 1076 N THR A 66 5.687 5.451 -8.444 1.00 43.44 N ATOM 1077 CA THR A 66 5.194 6.158 -9.639 1.00 35.54 C ATOM 1078 C THR A 66 4.915 7.637 -9.270 1.00 72.21 C ATOM 1079 O THR A 66 4.946 7.988 -8.083 1.00 13.23 O ATOM 1080 CB THR A 66 3.896 5.432 -10.143 1.00 31.41 C ATOM 1081 OG1 THR A 66 4.130 4.014 -10.178 1.00 72.45 O ATOM 1082 CG2 THR A 66 3.439 5.870 -11.543 1.00 71.02 C ATOM 0 H THR A 66 4.934 5.097 -7.854 1.00 43.44 H new ATOM 0 HA THR A 66 5.933 6.145 -10.440 1.00 35.54 H new ATOM 0 HB THR A 66 3.107 5.705 -9.442 1.00 31.41 H new ATOM 0 HG1 THR A 66 3.322 3.557 -10.490 1.00 72.45 H new ATOM 0 HG21 THR A 66 2.537 5.323 -11.819 1.00 71.02 H new ATOM 0 HG22 THR A 66 3.228 6.939 -11.539 1.00 71.02 H new ATOM 0 HG23 THR A 66 4.227 5.658 -12.266 1.00 71.02 H new ATOM 1090 N GLY A 67 4.649 8.501 -10.270 1.00 53.44 N ATOM 1091 CA GLY A 67 4.451 9.935 -10.031 1.00 53.10 C ATOM 1092 C GLY A 67 5.770 10.664 -9.821 1.00 21.35 C ATOM 1093 O GLY A 67 6.802 10.255 -10.377 1.00 3.13 O ATOM 0 H GLY A 67 4.567 8.226 -11.249 1.00 53.44 H new ATOM 0 HA2 GLY A 67 3.924 10.375 -10.878 1.00 53.10 H new ATOM 0 HA3 GLY A 67 3.817 10.073 -9.155 1.00 53.10 H new ATOM 1097 N GLY A 68 5.757 11.738 -9.010 1.00 41.30 N ATOM 1098 CA GLY A 68 6.974 12.524 -8.775 1.00 22.24 C ATOM 1099 C GLY A 68 6.849 13.512 -7.627 1.00 70.14 C ATOM 1100 O GLY A 68 5.743 13.823 -7.173 1.00 33.21 O ATOM 0 H GLY A 68 4.931 12.074 -8.516 1.00 41.30 H new ATOM 0 HA2 GLY A 68 7.801 11.844 -8.570 1.00 22.24 H new ATOM 0 HA3 GLY A 68 7.226 13.068 -9.685 1.00 22.24 H new ATOM 1104 N SER A 69 8.001 14.011 -7.164 1.00 2.42 N ATOM 1105 CA SER A 69 8.096 14.974 -6.056 1.00 43.21 C ATOM 1106 C SER A 69 8.311 16.391 -6.620 1.00 2.43 C ATOM 1107 O SER A 69 9.226 16.594 -7.436 1.00 25.33 O ATOM 1108 CB SER A 69 9.265 14.561 -5.140 1.00 62.11 C ATOM 1109 OG SER A 69 9.148 13.195 -4.774 1.00 32.44 O ATOM 0 H SER A 69 8.908 13.754 -7.553 1.00 2.42 H new ATOM 0 HA SER A 69 7.174 14.977 -5.475 1.00 43.21 H new ATOM 0 HB2 SER A 69 10.213 14.727 -5.652 1.00 62.11 H new ATOM 0 HB3 SER A 69 9.272 15.184 -4.246 1.00 62.11 H new ATOM 0 HG SER A 69 9.898 12.946 -4.194 1.00 32.44 H new ATOM 1115 N LEU A 70 7.457 17.363 -6.215 1.00 74.33 N ATOM 1116 CA LEU A 70 7.622 18.773 -6.630 1.00 62.50 C ATOM 1117 C LEU A 70 8.891 19.381 -5.985 1.00 51.43 C ATOM 1118 O LEU A 70 9.237 19.045 -4.843 1.00 34.11 O ATOM 1119 CB LEU A 70 6.326 19.619 -6.351 1.00 61.52 C ATOM 1120 CG LEU A 70 5.735 19.658 -4.887 1.00 72.44 C ATOM 1121 CD1 LEU A 70 6.541 20.575 -3.932 1.00 72.51 C ATOM 1122 CD2 LEU A 70 4.253 20.085 -4.906 1.00 22.22 C ATOM 0 H LEU A 70 6.655 17.196 -5.607 1.00 74.33 H new ATOM 0 HA LEU A 70 7.765 18.801 -7.710 1.00 62.50 H new ATOM 0 HB2 LEU A 70 6.534 20.647 -6.649 1.00 61.52 H new ATOM 0 HB3 LEU A 70 5.543 19.248 -7.012 1.00 61.52 H new ATOM 0 HG LEU A 70 5.815 18.643 -4.498 1.00 72.44 H new ATOM 0 HD11 LEU A 70 6.085 20.559 -2.942 1.00 72.51 H new ATOM 0 HD12 LEU A 70 7.568 20.217 -3.864 1.00 72.51 H new ATOM 0 HD13 LEU A 70 6.537 21.595 -4.317 1.00 72.51 H new ATOM 0 HD21 LEU A 70 3.867 20.105 -3.887 1.00 22.22 H new ATOM 0 HD22 LEU A 70 4.166 21.078 -5.346 1.00 22.22 H new ATOM 0 HD23 LEU A 70 3.677 19.374 -5.498 1.00 22.22 H new ATOM 1134 N GLU A 71 9.589 20.258 -6.725 1.00 65.30 N ATOM 1135 CA GLU A 71 10.842 20.881 -6.265 1.00 3.34 C ATOM 1136 C GLU A 71 10.580 22.337 -5.844 1.00 74.50 C ATOM 1137 O GLU A 71 10.103 23.146 -6.650 1.00 61.01 O ATOM 1138 CB GLU A 71 11.918 20.855 -7.379 1.00 65.53 C ATOM 1139 CG GLU A 71 13.310 21.403 -6.942 1.00 51.54 C ATOM 1140 CD GLU A 71 14.305 21.634 -8.094 1.00 1.50 C ATOM 1141 OE1 GLU A 71 14.167 21.004 -9.164 1.00 35.52 O ATOM 1142 OE2 GLU A 71 15.240 22.447 -7.931 1.00 53.42 O ATOM 0 H GLU A 71 9.302 20.555 -7.658 1.00 65.30 H new ATOM 0 HA GLU A 71 11.209 20.310 -5.412 1.00 3.34 H new ATOM 0 HB2 GLU A 71 12.038 19.829 -7.728 1.00 65.53 H new ATOM 0 HB3 GLU A 71 11.560 21.440 -8.226 1.00 65.53 H new ATOM 0 HG2 GLU A 71 13.164 22.345 -6.413 1.00 51.54 H new ATOM 0 HG3 GLU A 71 13.753 20.704 -6.233 1.00 51.54 H new ATOM 1149 N HIS A 72 10.873 22.639 -4.574 1.00 64.30 N ATOM 1150 CA HIS A 72 10.931 24.015 -4.059 1.00 31.54 C ATOM 1151 C HIS A 72 12.390 24.487 -4.209 1.00 43.33 C ATOM 1152 O HIS A 72 13.259 24.063 -3.441 1.00 73.11 O ATOM 1153 CB HIS A 72 10.452 24.054 -2.581 1.00 21.23 C ATOM 1154 CG HIS A 72 10.433 25.425 -1.956 1.00 44.12 C ATOM 1155 ND1 HIS A 72 11.266 25.784 -0.922 1.00 13.15 N ATOM 1156 CD2 HIS A 72 9.655 26.509 -2.199 1.00 35.10 C ATOM 1157 CE1 HIS A 72 11.000 27.017 -0.555 1.00 50.22 C ATOM 1158 NE2 HIS A 72 10.031 27.481 -1.315 1.00 10.04 N ATOM 0 H HIS A 72 11.078 21.932 -3.868 1.00 64.30 H new ATOM 0 HA HIS A 72 10.270 24.681 -4.614 1.00 31.54 H new ATOM 0 HB2 HIS A 72 9.448 23.633 -2.529 1.00 21.23 H new ATOM 0 HB3 HIS A 72 11.100 23.409 -1.987 1.00 21.23 H new ATOM 0 HD2 HIS A 72 8.883 26.589 -2.950 1.00 35.10 H new ATOM 0 HE1 HIS A 72 11.494 27.559 0.238 1.00 50.22 H new ATOM 0 HE2 HIS A 72 9.626 28.415 -1.254 1.00 10.04 H new ATOM 1167 N HIS A 73 12.634 25.303 -5.253 1.00 41.10 N ATOM 1168 CA HIS A 73 13.984 25.739 -5.680 1.00 64.32 C ATOM 1169 C HIS A 73 14.750 26.452 -4.543 1.00 2.12 C ATOM 1170 O HIS A 73 14.335 27.516 -4.071 1.00 60.35 O ATOM 1171 CB HIS A 73 13.867 26.663 -6.930 1.00 41.43 C ATOM 1172 CG HIS A 73 15.173 27.257 -7.426 1.00 65.11 C ATOM 1173 ND1 HIS A 73 15.502 28.593 -7.284 1.00 71.55 N ATOM 1174 CD2 HIS A 73 16.212 26.693 -8.085 1.00 35.41 C ATOM 1175 CE1 HIS A 73 16.678 28.818 -7.834 1.00 70.25 C ATOM 1176 NE2 HIS A 73 17.126 27.681 -8.323 1.00 51.03 N ATOM 0 H HIS A 73 11.889 25.686 -5.835 1.00 41.10 H new ATOM 0 HA HIS A 73 14.558 24.850 -5.940 1.00 64.32 H new ATOM 0 HB2 HIS A 73 13.416 26.092 -7.742 1.00 41.43 H new ATOM 0 HB3 HIS A 73 13.183 27.478 -6.695 1.00 41.43 H new ATOM 0 HD2 HIS A 73 16.302 25.655 -8.370 1.00 35.41 H new ATOM 0 HE1 HIS A 73 17.186 29.770 -7.876 1.00 70.25 H new ATOM 0 HE2 HIS A 73 18.017 27.557 -8.805 1.00 51.03 H new ATOM 1185 N HIS A 74 15.856 25.823 -4.106 1.00 41.32 N ATOM 1186 CA HIS A 74 16.822 26.408 -3.150 1.00 23.41 C ATOM 1187 C HIS A 74 17.743 27.395 -3.911 1.00 63.33 C ATOM 1188 O HIS A 74 17.621 27.524 -5.136 1.00 55.04 O ATOM 1189 CB HIS A 74 17.656 25.280 -2.457 1.00 63.50 C ATOM 1190 CG HIS A 74 16.849 24.239 -1.702 1.00 24.11 C ATOM 1191 ND1 HIS A 74 17.011 23.974 -0.356 1.00 12.02 N ATOM 1192 CD2 HIS A 74 15.902 23.364 -2.125 1.00 3.35 C ATOM 1193 CE1 HIS A 74 16.209 22.992 0.002 1.00 44.53 C ATOM 1194 NE2 HIS A 74 15.525 22.605 -1.053 1.00 12.32 N ATOM 0 H HIS A 74 16.110 24.883 -4.409 1.00 41.32 H new ATOM 0 HA HIS A 74 16.288 26.948 -2.368 1.00 23.41 H new ATOM 0 HB2 HIS A 74 18.250 24.772 -3.217 1.00 63.50 H new ATOM 0 HB3 HIS A 74 18.356 25.745 -1.763 1.00 63.50 H new ATOM 0 HD2 HIS A 74 15.515 23.282 -3.130 1.00 3.35 H new ATOM 0 HE1 HIS A 74 16.127 22.575 0.995 1.00 44.53 H new ATOM 0 HE2 HIS A 74 14.828 21.861 -1.068 1.00 12.32 H new ATOM 1203 N HIS A 75 18.668 28.057 -3.181 1.00 55.20 N ATOM 1204 CA HIS A 75 19.523 29.153 -3.710 1.00 21.02 C ATOM 1205 C HIS A 75 18.666 30.403 -4.000 1.00 22.42 C ATOM 1206 O HIS A 75 18.202 30.614 -5.130 1.00 31.13 O ATOM 1207 CB HIS A 75 20.379 28.749 -4.963 1.00 74.22 C ATOM 1208 CG HIS A 75 21.499 27.793 -4.684 1.00 54.25 C ATOM 1209 ND1 HIS A 75 21.631 26.573 -5.311 1.00 23.22 N ATOM 1210 CD2 HIS A 75 22.576 27.915 -3.879 1.00 42.05 C ATOM 1211 CE1 HIS A 75 22.739 25.994 -4.903 1.00 60.13 C ATOM 1212 NE2 HIS A 75 23.331 26.788 -4.033 1.00 44.24 N ATOM 0 H HIS A 75 18.847 27.847 -2.199 1.00 55.20 H new ATOM 0 HA HIS A 75 20.248 29.381 -2.929 1.00 21.02 H new ATOM 0 HB2 HIS A 75 19.719 28.304 -5.707 1.00 74.22 H new ATOM 0 HB3 HIS A 75 20.795 29.653 -5.407 1.00 74.22 H new ATOM 0 HD2 HIS A 75 22.799 28.751 -3.232 1.00 42.05 H new ATOM 0 HE1 HIS A 75 23.103 25.030 -5.226 1.00 60.13 H new ATOM 0 HE2 HIS A 75 24.210 26.592 -3.553 1.00 44.24 H new ATOM 1221 N HIS A 76 18.413 31.187 -2.933 1.00 54.14 N ATOM 1222 CA HIS A 76 17.689 32.480 -2.995 1.00 65.31 C ATOM 1223 C HIS A 76 18.003 33.332 -1.740 1.00 74.53 C ATOM 1224 O HIS A 76 17.177 34.147 -1.300 1.00 12.24 O ATOM 1225 CB HIS A 76 16.150 32.265 -3.193 1.00 11.20 C ATOM 1226 CG HIS A 76 15.476 31.328 -2.205 1.00 41.12 C ATOM 1227 ND1 HIS A 76 15.143 30.027 -2.517 1.00 72.23 N ATOM 1228 CD2 HIS A 76 15.050 31.517 -0.930 1.00 41.21 C ATOM 1229 CE1 HIS A 76 14.553 29.465 -1.485 1.00 53.32 C ATOM 1230 NE2 HIS A 76 14.485 30.346 -0.508 1.00 40.33 N ATOM 0 H HIS A 76 18.709 30.939 -1.989 1.00 54.14 H new ATOM 0 HA HIS A 76 18.040 33.032 -3.867 1.00 65.31 H new ATOM 0 HB2 HIS A 76 15.657 33.236 -3.137 1.00 11.20 H new ATOM 0 HB3 HIS A 76 15.983 31.881 -4.199 1.00 11.20 H new ATOM 0 HD1 HIS A 76 15.326 29.571 -3.411 1.00 72.23 H new ATOM 0 HD2 HIS A 76 15.141 32.426 -0.354 1.00 41.21 H new ATOM 0 HE1 HIS A 76 14.185 28.450 -1.445 1.00 53.32 H new ATOM 1239 N HIS A 77 19.216 33.134 -1.175 1.00 11.42 N ATOM 1240 CA HIS A 77 19.730 33.943 -0.047 1.00 24.54 C ATOM 1241 C HIS A 77 20.311 35.279 -0.590 1.00 24.20 C ATOM 1242 O HIS A 77 21.459 35.288 -1.091 1.00 44.15 O ATOM 1243 CB HIS A 77 20.790 33.142 0.773 1.00 22.41 C ATOM 1244 CG HIS A 77 21.442 33.925 1.900 1.00 0.24 C ATOM 1245 ND1 HIS A 77 22.594 34.665 1.729 1.00 11.30 N ATOM 1246 CD2 HIS A 77 21.105 34.070 3.211 1.00 21.31 C ATOM 1247 CE1 HIS A 77 22.933 35.226 2.873 1.00 5.01 C ATOM 1248 NE2 HIS A 77 22.046 34.880 3.783 1.00 3.11 N ATOM 1249 OXT HIS A 77 19.610 36.309 -0.534 1.00 37.66 O ATOM 0 H HIS A 77 19.864 32.411 -1.487 1.00 11.42 H new ATOM 0 HA HIS A 77 18.911 34.176 0.634 1.00 24.54 H new ATOM 0 HB2 HIS A 77 20.312 32.257 1.192 1.00 22.41 H new ATOM 0 HB3 HIS A 77 21.568 32.793 0.094 1.00 22.41 H new ATOM 0 HD2 HIS A 77 20.253 33.628 3.707 1.00 21.31 H new ATOM 0 HE1 HIS A 77 23.791 35.861 3.036 1.00 5.01 H new ATOM 0 HE2 HIS A 77 22.059 35.171 4.761 1.00 3.11 H new TER 1258 HIS A 77