USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 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 43 HIS : no HD1:sc= 1.12 K(o=2.5,f=-4.2!) USER MOD Set 1.2: A 44 SER OG : rot -102:sc= 1.34 USER MOD Set 2.1: A 33 HIS : no HE2:sc= 1.17 K(o=1.1,f=-3.3!) USER MOD Set 2.2: A 35 SER OG : rot 180:sc= -0.0233 USER MOD Set 3.1: A 23 GLN : amide:sc= -1.55! C(o=-1.5!,f=-6.6!) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.00782 X(o=-1.5,f=-1.9) USER MOD Set 4.1: A 12 TYR OH : rot 180:sc= -0.193 USER MOD Set 4.2: A 17 ASN : amide:sc= -0.25 K(o=-0.44,f=-2) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 4 ASN : amide:sc= 0.957 K(o=0.96,f=-5.6!) USER MOD Single : A 8 LYS NZ :NH3+ -134:sc= 0.882 (180deg=-0.0415) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= 0.971 (180deg=0.704) USER MOD Single : A 13 ASN : amide:sc= -0.849 X(o=-0.85,f=-0.89) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00377 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 1.14 (180deg=0.984) USER MOD Single : A 49 GLN : amide:sc= -0.968 K(o=-0.97,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 69:sc= 0.978 USER MOD Single : A 66 ASN : amide:sc= 1.04 K(o=1,f=-1.3) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 1.11 (180deg=0.949) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 2.713 12.059 3.513 1.00 74.34 N ATOM 21 CA ALA A 2 1.310 11.775 3.669 1.00 22.35 C ATOM 22 C ALA A 2 1.136 10.612 4.634 1.00 11.34 C ATOM 23 O ALA A 2 1.397 9.459 4.294 1.00 22.32 O ATOM 24 CB ALA A 2 0.683 11.475 2.319 1.00 12.14 C ATOM 0 HA ALA A 2 0.801 12.646 4.082 1.00 22.35 H new ATOM 0 HB1 ALA A 2 -0.378 11.262 2.450 1.00 12.14 H new ATOM 0 HB2 ALA A 2 0.802 12.337 1.663 1.00 12.14 H new ATOM 0 HB3 ALA A 2 1.175 10.610 1.874 1.00 12.14 H new ATOM 30 N THR A 3 0.758 10.926 5.838 1.00 21.31 N ATOM 31 CA THR A 3 0.600 9.949 6.872 1.00 25.41 C ATOM 32 C THR A 3 -0.862 9.568 7.067 1.00 10.44 C ATOM 33 O THR A 3 -1.760 10.413 6.898 1.00 31.41 O ATOM 34 CB THR A 3 1.212 10.469 8.182 1.00 1.32 C ATOM 35 OG1 THR A 3 0.724 11.800 8.434 1.00 64.24 O ATOM 36 CG2 THR A 3 2.731 10.492 8.099 1.00 32.01 C ATOM 0 H THR A 3 0.548 11.880 6.132 1.00 21.31 H new ATOM 0 HA THR A 3 1.129 9.045 6.569 1.00 25.41 H new ATOM 0 HB THR A 3 0.922 9.802 8.994 1.00 1.32 H new ATOM 0 HG1 THR A 3 1.109 12.137 9.270 1.00 64.24 H new ATOM 0 HG21 THR A 3 3.141 10.864 9.038 1.00 32.01 H new ATOM 0 HG22 THR A 3 3.101 9.483 7.916 1.00 32.01 H new ATOM 0 HG23 THR A 3 3.041 11.146 7.284 1.00 32.01 H new ATOM 44 N ASN A 4 -1.082 8.302 7.410 1.00 11.15 N ATOM 45 CA ASN A 4 -2.418 7.700 7.614 1.00 54.41 C ATOM 46 C ASN A 4 -3.294 7.906 6.384 1.00 13.11 C ATOM 47 O ASN A 4 -4.127 8.822 6.326 1.00 14.54 O ATOM 48 CB ASN A 4 -3.121 8.230 8.882 1.00 24.25 C ATOM 49 CG ASN A 4 -4.417 7.489 9.223 1.00 5.45 C ATOM 50 OD1 ASN A 4 -4.407 6.504 9.964 1.00 34.21 O ATOM 51 ND2 ASN A 4 -5.525 7.946 8.699 1.00 50.34 N ATOM 0 H ASN A 4 -0.322 7.639 7.561 1.00 11.15 H new ATOM 0 HA ASN A 4 -2.264 6.631 7.763 1.00 54.41 H new ATOM 0 HB2 ASN A 4 -2.436 8.152 9.726 1.00 24.25 H new ATOM 0 HB3 ASN A 4 -3.343 9.289 8.748 1.00 24.25 H new ATOM 0 HD21 ASN A 4 -6.412 7.485 8.900 1.00 50.34 H new ATOM 0 HD22 ASN A 4 -5.502 8.763 8.089 1.00 50.34 H new ATOM 58 N ILE A 5 -3.043 7.126 5.389 1.00 31.00 N ATOM 59 CA ILE A 5 -3.755 7.210 4.153 1.00 72.44 C ATOM 60 C ILE A 5 -4.741 6.102 4.046 1.00 60.00 C ATOM 61 O ILE A 5 -4.473 4.989 4.456 1.00 73.35 O ATOM 62 CB ILE A 5 -2.800 7.100 2.966 1.00 22.11 C ATOM 63 CG1 ILE A 5 -1.743 8.162 3.068 1.00 44.14 C ATOM 64 CG2 ILE A 5 -3.553 7.192 1.627 1.00 73.41 C ATOM 65 CD1 ILE A 5 -0.815 8.162 1.916 1.00 11.32 C ATOM 0 H ILE A 5 -2.327 6.400 5.408 1.00 31.00 H new ATOM 0 HA ILE A 5 -4.262 8.175 4.135 1.00 72.44 H new ATOM 0 HB ILE A 5 -2.321 6.121 2.995 1.00 22.11 H new ATOM 0 HG12 ILE A 5 -2.222 9.138 3.143 1.00 44.14 H new ATOM 0 HG13 ILE A 5 -1.174 8.015 3.986 1.00 44.14 H new ATOM 0 HG21 ILE A 5 -2.843 7.110 0.804 1.00 73.41 H new ATOM 0 HG22 ILE A 5 -4.279 6.382 1.562 1.00 73.41 H new ATOM 0 HG23 ILE A 5 -4.071 8.149 1.566 1.00 73.41 H new ATOM 0 HD11 ILE A 5 -0.074 8.951 2.046 1.00 11.32 H new ATOM 0 HD12 ILE A 5 -0.311 7.197 1.854 1.00 11.32 H new ATOM 0 HD13 ILE A 5 -1.375 8.338 0.998 1.00 11.32 H new ATOM 77 N VAL A 6 -5.850 6.410 3.486 1.00 52.42 N ATOM 78 CA VAL A 6 -6.873 5.454 3.243 1.00 15.31 C ATOM 79 C VAL A 6 -6.756 4.941 1.827 1.00 2.30 C ATOM 80 O VAL A 6 -6.403 5.694 0.915 1.00 74.24 O ATOM 81 CB VAL A 6 -8.273 6.096 3.418 1.00 74.32 C ATOM 82 CG1 VAL A 6 -9.389 5.141 2.992 1.00 75.13 C ATOM 83 CG2 VAL A 6 -8.468 6.555 4.856 1.00 54.21 C ATOM 0 H VAL A 6 -6.081 7.354 3.175 1.00 52.42 H new ATOM 0 HA VAL A 6 -6.757 4.638 3.956 1.00 15.31 H new ATOM 0 HB VAL A 6 -8.327 6.967 2.764 1.00 74.32 H new ATOM 0 HG11 VAL A 6 -10.355 5.626 3.129 1.00 75.13 H new ATOM 0 HG12 VAL A 6 -9.261 4.877 1.942 1.00 75.13 H new ATOM 0 HG13 VAL A 6 -9.347 4.238 3.601 1.00 75.13 H new ATOM 0 HG21 VAL A 6 -9.455 7.004 4.964 1.00 54.21 H new ATOM 0 HG22 VAL A 6 -8.383 5.699 5.526 1.00 54.21 H new ATOM 0 HG23 VAL A 6 -7.705 7.291 5.110 1.00 54.21 H new ATOM 93 N GLY A 7 -6.977 3.683 1.656 1.00 1.32 N ATOM 94 CA GLY A 7 -7.127 3.156 0.354 1.00 35.41 C ATOM 95 C GLY A 7 -7.446 1.712 0.333 1.00 55.41 C ATOM 96 O GLY A 7 -7.280 1.017 1.311 1.00 4.25 O ATOM 0 H GLY A 7 -7.057 3.001 2.410 1.00 1.32 H new ATOM 0 HA2 GLY A 7 -7.918 3.702 -0.161 1.00 35.41 H new ATOM 0 HA3 GLY A 7 -6.207 3.324 -0.205 1.00 35.41 H new ATOM 100 N LYS A 8 -7.939 1.280 -0.766 1.00 33.42 N ATOM 101 CA LYS A 8 -8.265 -0.082 -0.989 1.00 62.42 C ATOM 102 C LYS A 8 -7.113 -0.747 -1.702 1.00 64.43 C ATOM 103 O LYS A 8 -6.520 -0.160 -2.631 1.00 20.32 O ATOM 104 CB LYS A 8 -9.510 -0.172 -1.868 1.00 2.13 C ATOM 105 CG LYS A 8 -9.949 -1.595 -2.182 1.00 33.51 C ATOM 106 CD LYS A 8 -11.100 -1.623 -3.173 1.00 14.14 C ATOM 107 CE LYS A 8 -12.325 -0.901 -2.644 1.00 63.41 C ATOM 108 NZ LYS A 8 -13.418 -0.894 -3.631 1.00 72.33 N ATOM 0 H LYS A 8 -8.135 1.884 -1.565 1.00 33.42 H new ATOM 0 HA LYS A 8 -8.455 -0.575 -0.036 1.00 62.42 H new ATOM 0 HB2 LYS A 8 -10.330 0.348 -1.372 1.00 2.13 H new ATOM 0 HB3 LYS A 8 -9.319 0.353 -2.804 1.00 2.13 H new ATOM 0 HG2 LYS A 8 -9.106 -2.155 -2.588 1.00 33.51 H new ATOM 0 HG3 LYS A 8 -10.250 -2.095 -1.261 1.00 33.51 H new ATOM 0 HD2 LYS A 8 -10.784 -1.162 -4.109 1.00 14.14 H new ATOM 0 HD3 LYS A 8 -11.359 -2.658 -3.399 1.00 14.14 H new ATOM 0 HE2 LYS A 8 -12.665 -1.383 -1.727 1.00 63.41 H new ATOM 0 HE3 LYS A 8 -12.061 0.124 -2.386 1.00 63.41 H new ATOM 0 HZ1 LYS A 8 -13.824 0.062 -3.693 1.00 72.33 H new ATOM 0 HZ2 LYS A 8 -13.047 -1.174 -4.562 1.00 72.33 H new ATOM 0 HZ3 LYS A 8 -14.156 -1.565 -3.337 1.00 72.33 H new ATOM 122 N VAL A 9 -6.784 -1.941 -1.279 1.00 50.32 N ATOM 123 CA VAL A 9 -5.771 -2.715 -1.937 1.00 31.42 C ATOM 124 C VAL A 9 -6.304 -3.108 -3.296 1.00 12.11 C ATOM 125 O VAL A 9 -7.186 -3.976 -3.412 1.00 24.44 O ATOM 126 CB VAL A 9 -5.359 -3.995 -1.139 1.00 50.12 C ATOM 127 CG1 VAL A 9 -4.257 -4.768 -1.865 1.00 21.13 C ATOM 128 CG2 VAL A 9 -4.906 -3.640 0.264 1.00 73.43 C ATOM 0 H VAL A 9 -7.210 -2.399 -0.473 1.00 50.32 H new ATOM 0 HA VAL A 9 -4.871 -2.105 -2.016 1.00 31.42 H new ATOM 0 HB VAL A 9 -6.240 -4.633 -1.069 1.00 50.12 H new ATOM 0 HG11 VAL A 9 -3.991 -5.653 -1.286 1.00 21.13 H new ATOM 0 HG12 VAL A 9 -4.614 -5.072 -2.849 1.00 21.13 H new ATOM 0 HG13 VAL A 9 -3.380 -4.131 -1.978 1.00 21.13 H new ATOM 0 HG21 VAL A 9 -4.625 -4.549 0.797 1.00 73.43 H new ATOM 0 HG22 VAL A 9 -4.047 -2.971 0.211 1.00 73.43 H new ATOM 0 HG23 VAL A 9 -5.719 -3.145 0.795 1.00 73.43 H new ATOM 138 N LYS A 10 -5.826 -2.404 -4.291 1.00 3.41 N ATOM 139 CA LYS A 10 -6.204 -2.617 -5.670 1.00 55.21 C ATOM 140 C LYS A 10 -5.858 -4.042 -6.104 1.00 20.41 C ATOM 141 O LYS A 10 -6.666 -4.724 -6.747 1.00 11.42 O ATOM 142 CB LYS A 10 -5.493 -1.586 -6.534 1.00 12.32 C ATOM 143 CG LYS A 10 -5.780 -1.677 -8.000 1.00 72.42 C ATOM 144 CD LYS A 10 -5.108 -0.543 -8.745 1.00 61.22 C ATOM 145 CE LYS A 10 -5.804 0.768 -8.487 1.00 32.54 C ATOM 146 NZ LYS A 10 -5.267 1.855 -9.313 1.00 23.41 N ATOM 0 H LYS A 10 -5.149 -1.651 -4.165 1.00 3.41 H new ATOM 0 HA LYS A 10 -7.281 -2.496 -5.785 1.00 55.21 H new ATOM 0 HB2 LYS A 10 -5.771 -0.591 -6.187 1.00 12.32 H new ATOM 0 HB3 LYS A 10 -4.418 -1.688 -6.383 1.00 12.32 H new ATOM 0 HG2 LYS A 10 -5.427 -2.633 -8.387 1.00 72.42 H new ATOM 0 HG3 LYS A 10 -6.856 -1.643 -8.168 1.00 72.42 H new ATOM 0 HD2 LYS A 10 -4.065 -0.470 -8.437 1.00 61.22 H new ATOM 0 HD3 LYS A 10 -5.111 -0.755 -9.814 1.00 61.22 H new ATOM 0 HE2 LYS A 10 -6.870 0.656 -8.686 1.00 32.54 H new ATOM 0 HE3 LYS A 10 -5.702 1.030 -7.434 1.00 32.54 H new ATOM 0 HZ1 LYS A 10 -5.962 2.627 -9.365 1.00 23.41 H new ATOM 0 HZ2 LYS A 10 -4.386 2.210 -8.890 1.00 23.41 H new ATOM 0 HZ3 LYS A 10 -5.072 1.500 -10.271 1.00 23.41 H new ATOM 160 N TRP A 11 -4.662 -4.462 -5.751 1.00 22.22 N ATOM 161 CA TRP A 11 -4.180 -5.829 -5.954 1.00 32.43 C ATOM 162 C TRP A 11 -2.860 -5.979 -5.269 1.00 21.22 C ATOM 163 O TRP A 11 -2.222 -4.973 -4.938 1.00 21.23 O ATOM 164 CB TRP A 11 -4.049 -6.248 -7.452 1.00 12.03 C ATOM 165 CG TRP A 11 -3.079 -5.450 -8.284 1.00 3.44 C ATOM 166 CD1 TRP A 11 -3.336 -4.333 -9.008 1.00 44.01 C ATOM 167 CD2 TRP A 11 -1.699 -5.741 -8.486 1.00 73.25 C ATOM 168 NE1 TRP A 11 -2.196 -3.899 -9.626 1.00 53.15 N ATOM 169 CE2 TRP A 11 -1.177 -4.750 -9.325 1.00 22.11 C ATOM 170 CE3 TRP A 11 -0.863 -6.742 -8.030 1.00 63.02 C ATOM 171 CZ2 TRP A 11 0.158 -4.733 -9.717 1.00 25.42 C ATOM 172 CZ3 TRP A 11 0.461 -6.732 -8.416 1.00 44.50 C ATOM 173 CH2 TRP A 11 0.961 -5.729 -9.252 1.00 70.25 C ATOM 0 H TRP A 11 -3.975 -3.855 -5.304 1.00 22.22 H new ATOM 0 HA TRP A 11 -4.931 -6.494 -5.527 1.00 32.43 H new ATOM 0 HB2 TRP A 11 -3.751 -7.296 -7.490 1.00 12.03 H new ATOM 0 HB3 TRP A 11 -5.034 -6.180 -7.914 1.00 12.03 H new ATOM 0 HD1 TRP A 11 -4.301 -3.855 -9.085 1.00 44.01 H new ATOM 0 HE1 TRP A 11 -2.121 -3.071 -10.217 1.00 53.15 H new ATOM 0 HE3 TRP A 11 -1.240 -7.519 -7.382 1.00 63.02 H new ATOM 0 HZ2 TRP A 11 0.542 -3.959 -10.365 1.00 25.42 H new ATOM 0 HZ3 TRP A 11 1.122 -7.511 -8.067 1.00 44.50 H new ATOM 0 HH2 TRP A 11 2.003 -5.745 -9.534 1.00 70.25 H new ATOM 184 N TYR A 12 -2.456 -7.201 -5.052 1.00 23.43 N ATOM 185 CA TYR A 12 -1.175 -7.493 -4.446 1.00 4.44 C ATOM 186 C TYR A 12 -0.780 -8.911 -4.742 1.00 22.12 C ATOM 187 O TYR A 12 -1.450 -9.851 -4.320 1.00 15.31 O ATOM 188 CB TYR A 12 -1.192 -7.261 -2.922 1.00 61.41 C ATOM 189 CG TYR A 12 0.143 -7.550 -2.235 1.00 30.11 C ATOM 190 CD1 TYR A 12 1.200 -6.664 -2.346 1.00 34.30 C ATOM 191 CD2 TYR A 12 0.333 -8.699 -1.469 1.00 40.14 C ATOM 192 CE1 TYR A 12 2.410 -6.903 -1.723 1.00 21.52 C ATOM 193 CE2 TYR A 12 1.544 -8.947 -0.842 1.00 54.15 C ATOM 194 CZ TYR A 12 2.579 -8.044 -0.975 1.00 72.13 C ATOM 195 OH TYR A 12 3.785 -8.279 -0.348 1.00 71.02 O ATOM 0 H TYR A 12 -3.004 -8.028 -5.289 1.00 23.43 H new ATOM 0 HA TYR A 12 -0.443 -6.809 -4.876 1.00 4.44 H new ATOM 0 HB2 TYR A 12 -1.474 -6.227 -2.725 1.00 61.41 H new ATOM 0 HB3 TYR A 12 -1.962 -7.891 -2.477 1.00 61.41 H new ATOM 0 HD1 TYR A 12 1.077 -5.766 -2.933 1.00 34.30 H new ATOM 0 HD2 TYR A 12 -0.476 -9.407 -1.362 1.00 40.14 H new ATOM 0 HE1 TYR A 12 3.220 -6.196 -1.823 1.00 21.52 H new ATOM 0 HE2 TYR A 12 1.677 -9.842 -0.253 1.00 54.15 H new ATOM 0 HH TYR A 12 3.740 -9.127 0.140 1.00 71.02 H new ATOM 205 N ASN A 13 0.287 -9.070 -5.462 1.00 13.23 N ATOM 206 CA ASN A 13 0.797 -10.387 -5.743 1.00 31.50 C ATOM 207 C ASN A 13 1.831 -10.722 -4.714 1.00 54.41 C ATOM 208 O ASN A 13 2.935 -10.180 -4.737 1.00 21.31 O ATOM 209 CB ASN A 13 1.372 -10.509 -7.167 1.00 61.41 C ATOM 210 CG ASN A 13 0.317 -10.370 -8.251 1.00 4.43 C ATOM 211 OD1 ASN A 13 -0.842 -10.692 -8.052 1.00 62.43 O ATOM 212 ND2 ASN A 13 0.715 -9.903 -9.406 1.00 61.01 N ATOM 0 H ASN A 13 0.827 -8.306 -5.869 1.00 13.23 H new ATOM 0 HA ASN A 13 -0.028 -11.098 -5.695 1.00 31.50 H new ATOM 0 HB2 ASN A 13 2.135 -9.744 -7.311 1.00 61.41 H new ATOM 0 HB3 ASN A 13 1.866 -11.475 -7.271 1.00 61.41 H new ATOM 0 HD21 ASN A 13 0.049 -9.800 -10.171 1.00 61.01 H new ATOM 0 HD22 ASN A 13 1.692 -9.642 -9.541 1.00 61.01 H new ATOM 219 N SER A 14 1.470 -11.597 -3.804 1.00 2.42 N ATOM 220 CA SER A 14 2.301 -11.968 -2.675 1.00 40.30 C ATOM 221 C SER A 14 3.647 -12.567 -3.089 1.00 41.40 C ATOM 222 O SER A 14 4.646 -12.369 -2.425 1.00 64.33 O ATOM 223 CB SER A 14 1.523 -12.909 -1.762 1.00 72.35 C ATOM 224 OG SER A 14 0.973 -13.996 -2.501 1.00 53.33 O ATOM 0 H SER A 14 0.573 -12.082 -3.826 1.00 2.42 H new ATOM 0 HA SER A 14 2.548 -11.057 -2.130 1.00 40.30 H new ATOM 0 HB2 SER A 14 2.181 -13.291 -0.981 1.00 72.35 H new ATOM 0 HB3 SER A 14 0.723 -12.361 -1.265 1.00 72.35 H new ATOM 0 HG SER A 14 0.480 -14.587 -1.895 1.00 53.33 H new ATOM 230 N THR A 15 3.674 -13.259 -4.191 1.00 53.31 N ATOM 231 CA THR A 15 4.893 -13.853 -4.665 1.00 72.33 C ATOM 232 C THR A 15 5.810 -12.782 -5.313 1.00 51.10 C ATOM 233 O THR A 15 7.023 -12.946 -5.389 1.00 73.22 O ATOM 234 CB THR A 15 4.577 -14.992 -5.654 1.00 14.34 C ATOM 235 OG1 THR A 15 3.661 -15.904 -5.021 1.00 13.44 O ATOM 236 CG2 THR A 15 5.836 -15.754 -6.031 1.00 21.12 C ATOM 0 H THR A 15 2.860 -13.427 -4.783 1.00 53.31 H new ATOM 0 HA THR A 15 5.431 -14.277 -3.817 1.00 72.33 H new ATOM 0 HB THR A 15 4.146 -14.562 -6.558 1.00 14.34 H new ATOM 0 HG1 THR A 15 3.448 -16.635 -5.638 1.00 13.44 H new ATOM 0 HG21 THR A 15 5.583 -16.552 -6.730 1.00 21.12 H new ATOM 0 HG22 THR A 15 6.547 -15.073 -6.499 1.00 21.12 H new ATOM 0 HG23 THR A 15 6.283 -16.185 -5.135 1.00 21.12 H new ATOM 244 N LYS A 16 5.229 -11.670 -5.744 1.00 62.13 N ATOM 245 CA LYS A 16 6.031 -10.621 -6.359 1.00 44.23 C ATOM 246 C LYS A 16 6.288 -9.494 -5.376 1.00 71.14 C ATOM 247 O LYS A 16 7.097 -8.620 -5.640 1.00 12.53 O ATOM 248 CB LYS A 16 5.338 -10.053 -7.603 1.00 74.10 C ATOM 249 CG LYS A 16 5.070 -11.054 -8.695 1.00 42.31 C ATOM 250 CD LYS A 16 4.449 -10.383 -9.912 1.00 71.22 C ATOM 251 CE LYS A 16 5.369 -9.325 -10.533 1.00 5.54 C ATOM 252 NZ LYS A 16 4.770 -8.688 -11.727 1.00 33.52 N ATOM 0 H LYS A 16 4.230 -11.473 -5.682 1.00 62.13 H new ATOM 0 HA LYS A 16 6.980 -11.069 -6.654 1.00 44.23 H new ATOM 0 HB2 LYS A 16 4.391 -9.606 -7.301 1.00 74.10 H new ATOM 0 HB3 LYS A 16 5.954 -9.251 -8.009 1.00 74.10 H new ATOM 0 HG2 LYS A 16 6.001 -11.543 -8.981 1.00 42.31 H new ATOM 0 HG3 LYS A 16 4.402 -11.832 -8.324 1.00 42.31 H new ATOM 0 HD2 LYS A 16 4.215 -11.140 -10.660 1.00 71.22 H new ATOM 0 HD3 LYS A 16 3.507 -9.917 -9.624 1.00 71.22 H new ATOM 0 HE2 LYS A 16 5.592 -8.560 -9.790 1.00 5.54 H new ATOM 0 HE3 LYS A 16 6.317 -9.788 -10.808 1.00 5.54 H new ATOM 0 HZ1 LYS A 16 5.429 -7.981 -12.111 1.00 33.52 H new ATOM 0 HZ2 LYS A 16 4.581 -9.412 -12.449 1.00 33.52 H new ATOM 0 HZ3 LYS A 16 3.879 -8.222 -11.462 1.00 33.52 H new ATOM 266 N ASN A 17 5.613 -9.549 -4.225 1.00 20.25 N ATOM 267 CA ASN A 17 5.730 -8.534 -3.170 1.00 65.02 C ATOM 268 C ASN A 17 5.451 -7.113 -3.678 1.00 51.42 C ATOM 269 O ASN A 17 5.959 -6.129 -3.128 1.00 51.15 O ATOM 270 CB ASN A 17 7.087 -8.657 -2.500 1.00 54.10 C ATOM 271 CG ASN A 17 7.189 -9.936 -1.709 1.00 71.31 C ATOM 272 OD1 ASN A 17 6.215 -10.384 -1.107 1.00 54.34 O ATOM 273 ND2 ASN A 17 8.320 -10.564 -1.762 1.00 53.41 N ATOM 0 H ASN A 17 4.965 -10.303 -3.996 1.00 20.25 H new ATOM 0 HA ASN A 17 4.956 -8.722 -2.426 1.00 65.02 H new ATOM 0 HB2 ASN A 17 7.872 -8.630 -3.255 1.00 54.10 H new ATOM 0 HB3 ASN A 17 7.249 -7.804 -1.841 1.00 54.10 H new ATOM 0 HD21 ASN A 17 8.426 -11.464 -1.294 1.00 53.41 H new ATOM 0 HD22 ASN A 17 9.105 -10.159 -2.272 1.00 53.41 H new ATOM 280 N PHE A 18 4.605 -7.016 -4.689 1.00 2.44 N ATOM 281 CA PHE A 18 4.181 -5.742 -5.255 1.00 15.21 C ATOM 282 C PHE A 18 2.690 -5.737 -5.476 1.00 33.41 C ATOM 283 O PHE A 18 2.069 -6.801 -5.641 1.00 12.11 O ATOM 284 CB PHE A 18 4.872 -5.409 -6.593 1.00 32.42 C ATOM 285 CG PHE A 18 6.330 -5.069 -6.513 1.00 41.43 C ATOM 286 CD1 PHE A 18 6.740 -3.865 -5.962 1.00 71.24 C ATOM 287 CD2 PHE A 18 7.285 -5.927 -7.017 1.00 13.12 C ATOM 288 CE1 PHE A 18 8.077 -3.532 -5.913 1.00 23.51 C ATOM 289 CE2 PHE A 18 8.621 -5.600 -6.967 1.00 54.13 C ATOM 290 CZ PHE A 18 9.019 -4.401 -6.415 1.00 30.14 C ATOM 0 H PHE A 18 4.187 -7.826 -5.146 1.00 2.44 H new ATOM 0 HA PHE A 18 4.471 -4.982 -4.529 1.00 15.21 H new ATOM 0 HB2 PHE A 18 4.754 -6.261 -7.262 1.00 32.42 H new ATOM 0 HB3 PHE A 18 4.348 -4.570 -7.051 1.00 32.42 H new ATOM 0 HD1 PHE A 18 6.004 -3.180 -5.567 1.00 71.24 H new ATOM 0 HD2 PHE A 18 6.981 -6.866 -7.456 1.00 13.12 H new ATOM 0 HE1 PHE A 18 8.385 -2.591 -5.481 1.00 23.51 H new ATOM 0 HE2 PHE A 18 9.359 -6.284 -7.361 1.00 54.13 H new ATOM 0 HZ PHE A 18 10.067 -4.144 -6.377 1.00 30.14 H new ATOM 300 N GLY A 19 2.129 -4.566 -5.470 1.00 23.54 N ATOM 301 CA GLY A 19 0.738 -4.385 -5.722 1.00 63.13 C ATOM 302 C GLY A 19 0.416 -2.926 -5.758 1.00 55.54 C ATOM 303 O GLY A 19 1.319 -2.106 -5.712 1.00 72.23 O ATOM 0 H GLY A 19 2.635 -3.699 -5.287 1.00 23.54 H new ATOM 0 HA2 GLY A 19 0.467 -4.850 -6.670 1.00 63.13 H new ATOM 0 HA3 GLY A 19 0.151 -4.877 -4.946 1.00 63.13 H new ATOM 307 N PHE A 20 -0.841 -2.594 -5.815 1.00 0.50 N ATOM 308 CA PHE A 20 -1.276 -1.208 -5.828 1.00 73.14 C ATOM 309 C PHE A 20 -2.380 -0.977 -4.850 1.00 2.20 C ATOM 310 O PHE A 20 -3.092 -1.908 -4.473 1.00 30.30 O ATOM 311 CB PHE A 20 -1.686 -0.721 -7.222 1.00 51.15 C ATOM 312 CG PHE A 20 -0.534 -0.403 -8.135 1.00 63.21 C ATOM 313 CD1 PHE A 20 0.022 0.865 -8.138 1.00 2.34 C ATOM 314 CD2 PHE A 20 -0.006 -1.357 -8.982 1.00 11.13 C ATOM 315 CE1 PHE A 20 1.079 1.174 -8.969 1.00 63.41 C ATOM 316 CE2 PHE A 20 1.053 -1.056 -9.819 1.00 31.21 C ATOM 317 CZ PHE A 20 1.596 0.211 -9.810 1.00 20.14 C ATOM 0 H PHE A 20 -1.603 -3.271 -5.854 1.00 0.50 H new ATOM 0 HA PHE A 20 -0.410 -0.619 -5.527 1.00 73.14 H new ATOM 0 HB2 PHE A 20 -2.306 -1.485 -7.692 1.00 51.15 H new ATOM 0 HB3 PHE A 20 -2.305 0.170 -7.114 1.00 51.15 H new ATOM 0 HD1 PHE A 20 -0.377 1.623 -7.480 1.00 2.34 H new ATOM 0 HD2 PHE A 20 -0.426 -2.352 -8.991 1.00 11.13 H new ATOM 0 HE1 PHE A 20 1.501 2.168 -8.961 1.00 63.41 H new ATOM 0 HE2 PHE A 20 1.454 -1.812 -10.478 1.00 31.21 H new ATOM 0 HZ PHE A 20 2.425 0.449 -10.460 1.00 20.14 H new ATOM 327 N ILE A 21 -2.528 0.264 -4.448 1.00 74.43 N ATOM 328 CA ILE A 21 -3.512 0.674 -3.465 1.00 3.43 C ATOM 329 C ILE A 21 -3.995 2.082 -3.795 1.00 50.42 C ATOM 330 O ILE A 21 -3.187 2.965 -4.042 1.00 13.51 O ATOM 331 CB ILE A 21 -2.901 0.736 -2.023 1.00 44.05 C ATOM 332 CG1 ILE A 21 -2.277 -0.596 -1.612 1.00 71.41 C ATOM 333 CG2 ILE A 21 -3.966 1.148 -1.014 1.00 21.32 C ATOM 334 CD1 ILE A 21 -1.634 -0.578 -0.237 1.00 74.43 C ATOM 0 H ILE A 21 -1.959 1.034 -4.800 1.00 74.43 H new ATOM 0 HA ILE A 21 -4.320 -0.057 -3.493 1.00 3.43 H new ATOM 0 HB ILE A 21 -2.108 1.484 -2.036 1.00 44.05 H new ATOM 0 HG12 ILE A 21 -3.047 -1.368 -1.632 1.00 71.41 H new ATOM 0 HG13 ILE A 21 -1.525 -0.876 -2.350 1.00 71.41 H new ATOM 0 HG21 ILE A 21 -3.527 1.187 -0.017 1.00 21.32 H new ATOM 0 HG22 ILE A 21 -4.356 2.131 -1.277 1.00 21.32 H new ATOM 0 HG23 ILE A 21 -4.778 0.421 -1.025 1.00 21.32 H new ATOM 0 HD11 ILE A 21 -1.214 -1.560 -0.019 1.00 74.43 H new ATOM 0 HD12 ILE A 21 -0.840 0.169 -0.216 1.00 74.43 H new ATOM 0 HD13 ILE A 21 -2.385 -0.330 0.513 1.00 74.43 H new ATOM 346 N GLU A 22 -5.292 2.269 -3.859 1.00 61.13 N ATOM 347 CA GLU A 22 -5.857 3.602 -3.970 1.00 33.41 C ATOM 348 C GLU A 22 -7.147 3.633 -3.202 1.00 52.51 C ATOM 349 O GLU A 22 -7.830 2.616 -3.107 1.00 33.43 O ATOM 350 CB GLU A 22 -6.120 4.051 -5.412 1.00 14.34 C ATOM 351 CG GLU A 22 -7.208 3.283 -6.126 1.00 45.43 C ATOM 352 CD GLU A 22 -7.555 3.912 -7.452 1.00 11.13 C ATOM 353 OE1 GLU A 22 -6.785 3.775 -8.416 1.00 52.13 O ATOM 354 OE2 GLU A 22 -8.615 4.545 -7.550 1.00 74.23 O ATOM 0 H GLU A 22 -5.981 1.517 -3.836 1.00 61.13 H new ATOM 0 HA GLU A 22 -5.120 4.296 -3.565 1.00 33.41 H new ATOM 0 HB2 GLU A 22 -6.385 5.108 -5.406 1.00 14.34 H new ATOM 0 HB3 GLU A 22 -5.195 3.958 -5.981 1.00 14.34 H new ATOM 0 HG2 GLU A 22 -6.884 2.255 -6.285 1.00 45.43 H new ATOM 0 HG3 GLU A 22 -8.098 3.243 -5.498 1.00 45.43 H new ATOM 361 N GLN A 23 -7.489 4.753 -2.648 1.00 32.32 N ATOM 362 CA GLN A 23 -8.768 4.858 -1.981 1.00 50.04 C ATOM 363 C GLN A 23 -9.839 5.078 -2.975 1.00 43.23 C ATOM 364 O GLN A 23 -9.602 5.661 -4.042 1.00 43.40 O ATOM 365 CB GLN A 23 -8.785 5.950 -0.909 1.00 31.30 C ATOM 366 CG GLN A 23 -8.393 7.307 -1.407 1.00 62.20 C ATOM 367 CD GLN A 23 -8.269 8.329 -0.307 1.00 12.50 C ATOM 368 OE1 GLN A 23 -9.215 9.034 0.023 1.00 62.45 O ATOM 369 NE2 GLN A 23 -7.119 8.378 0.296 1.00 4.31 N ATOM 0 H GLN A 23 -6.919 5.599 -2.638 1.00 32.32 H new ATOM 0 HA GLN A 23 -8.945 3.915 -1.464 1.00 50.04 H new ATOM 0 HB2 GLN A 23 -9.786 6.008 -0.481 1.00 31.30 H new ATOM 0 HB3 GLN A 23 -8.110 5.662 -0.103 1.00 31.30 H new ATOM 0 HG2 GLN A 23 -7.442 7.233 -1.934 1.00 62.20 H new ATOM 0 HG3 GLN A 23 -9.133 7.649 -2.131 1.00 62.20 H new ATOM 0 HE21 GLN A 23 -6.357 7.774 -0.010 1.00 4.31 H new ATOM 0 HE22 GLN A 23 -6.979 9.021 1.075 1.00 4.31 H new ATOM 378 N ASP A 24 -11.008 4.631 -2.621 1.00 3.23 N ATOM 379 CA ASP A 24 -12.220 4.770 -3.417 1.00 40.13 C ATOM 380 C ASP A 24 -12.545 6.234 -3.663 1.00 74.53 C ATOM 381 O ASP A 24 -13.347 6.576 -4.538 1.00 34.30 O ATOM 382 CB ASP A 24 -13.389 4.129 -2.684 1.00 23.34 C ATOM 383 CG ASP A 24 -13.267 2.640 -2.509 1.00 53.00 C ATOM 384 OD1 ASP A 24 -12.518 2.193 -1.615 1.00 43.12 O ATOM 385 OD2 ASP A 24 -13.964 1.884 -3.236 1.00 30.42 O ATOM 0 H ASP A 24 -11.163 4.140 -1.740 1.00 3.23 H new ATOM 0 HA ASP A 24 -12.054 4.276 -4.375 1.00 40.13 H new ATOM 0 HB2 ASP A 24 -13.485 4.592 -1.702 1.00 23.34 H new ATOM 0 HB3 ASP A 24 -14.308 4.345 -3.230 1.00 23.34 H new ATOM 390 N ASN A 25 -11.913 7.095 -2.898 1.00 70.12 N ATOM 391 CA ASN A 25 -12.128 8.514 -3.002 1.00 15.01 C ATOM 392 C ASN A 25 -11.186 9.118 -4.043 1.00 1.50 C ATOM 393 O ASN A 25 -11.115 10.333 -4.189 1.00 35.10 O ATOM 394 CB ASN A 25 -11.920 9.192 -1.640 1.00 43.34 C ATOM 395 CG ASN A 25 -12.823 8.636 -0.541 1.00 5.23 C ATOM 396 OD1 ASN A 25 -13.946 8.170 -0.794 1.00 41.03 O ATOM 397 ND2 ASN A 25 -12.345 8.674 0.674 1.00 74.22 N ATOM 0 H ASN A 25 -11.234 6.827 -2.185 1.00 70.12 H new ATOM 0 HA ASN A 25 -13.157 8.685 -3.319 1.00 15.01 H new ATOM 0 HB2 ASN A 25 -10.879 9.074 -1.339 1.00 43.34 H new ATOM 0 HB3 ASN A 25 -12.103 10.262 -1.743 1.00 43.34 H new ATOM 0 HD21 ASN A 25 -12.899 8.314 1.451 1.00 74.22 H new ATOM 0 HD22 ASN A 25 -11.418 9.064 0.845 1.00 74.22 H new ATOM 404 N GLY A 26 -10.448 8.263 -4.760 1.00 42.44 N ATOM 405 CA GLY A 26 -9.592 8.756 -5.814 1.00 25.12 C ATOM 406 C GLY A 26 -8.189 9.053 -5.347 1.00 3.02 C ATOM 407 O GLY A 26 -7.684 10.148 -5.567 1.00 53.24 O ATOM 0 H GLY A 26 -10.433 7.252 -4.626 1.00 42.44 H new ATOM 0 HA2 GLY A 26 -9.553 8.019 -6.617 1.00 25.12 H new ATOM 0 HA3 GLY A 26 -10.028 9.662 -6.234 1.00 25.12 H new ATOM 411 N GLY A 27 -7.564 8.105 -4.681 1.00 64.13 N ATOM 412 CA GLY A 27 -6.189 8.318 -4.225 1.00 50.11 C ATOM 413 C GLY A 27 -5.188 8.025 -5.342 1.00 61.13 C ATOM 414 O GLY A 27 -5.550 7.389 -6.335 1.00 31.13 O ATOM 0 H GLY A 27 -7.966 7.198 -4.443 1.00 64.13 H new ATOM 0 HA2 GLY A 27 -6.070 9.347 -3.886 1.00 50.11 H new ATOM 0 HA3 GLY A 27 -5.982 7.675 -3.369 1.00 50.11 H new ATOM 418 N LYS A 28 -3.949 8.490 -5.192 1.00 62.24 N ATOM 419 CA LYS A 28 -2.911 8.273 -6.213 1.00 2.03 C ATOM 420 C LYS A 28 -2.551 6.802 -6.358 1.00 12.13 C ATOM 421 O LYS A 28 -2.769 6.005 -5.443 1.00 50.23 O ATOM 422 CB LYS A 28 -1.632 9.053 -5.892 1.00 10.22 C ATOM 423 CG LYS A 28 -1.776 10.561 -5.883 1.00 22.22 C ATOM 424 CD LYS A 28 -0.426 11.208 -5.684 1.00 50.45 C ATOM 425 CE LYS A 28 -0.514 12.724 -5.711 1.00 0.43 C ATOM 426 NZ LYS A 28 0.820 13.353 -5.558 1.00 35.44 N ATOM 0 H LYS A 28 -3.635 9.018 -4.378 1.00 62.24 H new ATOM 0 HA LYS A 28 -3.336 8.633 -7.150 1.00 2.03 H new ATOM 0 HB2 LYS A 28 -1.267 8.734 -4.916 1.00 10.22 H new ATOM 0 HB3 LYS A 28 -0.869 8.782 -6.621 1.00 10.22 H new ATOM 0 HG2 LYS A 28 -2.215 10.898 -6.822 1.00 22.22 H new ATOM 0 HG3 LYS A 28 -2.455 10.865 -5.086 1.00 22.22 H new ATOM 0 HD2 LYS A 28 -0.006 10.886 -4.731 1.00 50.45 H new ATOM 0 HD3 LYS A 28 0.257 10.870 -6.464 1.00 50.45 H new ATOM 0 HE2 LYS A 28 -0.963 13.046 -6.651 1.00 0.43 H new ATOM 0 HE3 LYS A 28 -1.171 13.065 -4.911 1.00 0.43 H new ATOM 0 HZ1 LYS A 28 0.721 14.388 -5.581 1.00 35.44 H new ATOM 0 HZ2 LYS A 28 1.237 13.066 -4.650 1.00 35.44 H new ATOM 0 HZ3 LYS A 28 1.439 13.047 -6.336 1.00 35.44 H new ATOM 440 N ASP A 29 -1.997 6.448 -7.507 1.00 71.43 N ATOM 441 CA ASP A 29 -1.540 5.090 -7.735 1.00 33.00 C ATOM 442 C ASP A 29 -0.212 4.875 -7.063 1.00 41.15 C ATOM 443 O ASP A 29 0.857 5.180 -7.627 1.00 15.35 O ATOM 444 CB ASP A 29 -1.433 4.725 -9.224 1.00 11.50 C ATOM 445 CG ASP A 29 -2.751 4.671 -9.941 1.00 13.20 C ATOM 446 OD1 ASP A 29 -3.423 3.625 -9.876 1.00 40.14 O ATOM 447 OD2 ASP A 29 -3.125 5.657 -10.604 1.00 42.30 O ATOM 0 H ASP A 29 -1.854 7.082 -8.293 1.00 71.43 H new ATOM 0 HA ASP A 29 -2.295 4.433 -7.303 1.00 33.00 H new ATOM 0 HB2 ASP A 29 -0.792 5.454 -9.720 1.00 11.50 H new ATOM 0 HB3 ASP A 29 -0.943 3.756 -9.315 1.00 11.50 H new ATOM 452 N VAL A 30 -0.279 4.432 -5.856 1.00 34.43 N ATOM 453 CA VAL A 30 0.880 4.136 -5.080 1.00 73.45 C ATOM 454 C VAL A 30 1.037 2.624 -4.986 1.00 1.31 C ATOM 455 O VAL A 30 0.044 1.897 -4.779 1.00 23.43 O ATOM 456 CB VAL A 30 0.796 4.812 -3.668 1.00 3.11 C ATOM 457 CG1 VAL A 30 -0.464 4.451 -2.935 1.00 50.54 C ATOM 458 CG2 VAL A 30 1.969 4.452 -2.821 1.00 44.20 C ATOM 0 H VAL A 30 -1.158 4.261 -5.368 1.00 34.43 H new ATOM 0 HA VAL A 30 1.766 4.547 -5.565 1.00 73.45 H new ATOM 0 HB VAL A 30 0.794 5.887 -3.851 1.00 3.11 H new ATOM 0 HG11 VAL A 30 -0.474 4.944 -1.963 1.00 50.54 H new ATOM 0 HG12 VAL A 30 -1.328 4.775 -3.515 1.00 50.54 H new ATOM 0 HG13 VAL A 30 -0.506 3.371 -2.794 1.00 50.54 H new ATOM 0 HG21 VAL A 30 1.879 4.938 -1.849 1.00 44.20 H new ATOM 0 HG22 VAL A 30 2.001 3.371 -2.685 1.00 44.20 H new ATOM 0 HG23 VAL A 30 2.886 4.784 -3.309 1.00 44.20 H new ATOM 468 N PHE A 31 2.249 2.136 -5.168 1.00 14.22 N ATOM 469 CA PHE A 31 2.446 0.716 -5.143 1.00 63.20 C ATOM 470 C PHE A 31 2.796 0.256 -3.756 1.00 32.44 C ATOM 471 O PHE A 31 3.499 0.945 -3.018 1.00 63.42 O ATOM 472 CB PHE A 31 3.503 0.235 -6.173 1.00 14.14 C ATOM 473 CG PHE A 31 4.946 0.601 -5.904 1.00 53.33 C ATOM 474 CD1 PHE A 31 5.757 -0.243 -5.150 1.00 0.23 C ATOM 475 CD2 PHE A 31 5.496 1.756 -6.418 1.00 31.33 C ATOM 476 CE1 PHE A 31 7.079 0.063 -4.916 1.00 43.35 C ATOM 477 CE2 PHE A 31 6.823 2.068 -6.184 1.00 35.03 C ATOM 478 CZ PHE A 31 7.614 1.222 -5.434 1.00 11.53 C ATOM 0 H PHE A 31 3.088 2.693 -5.330 1.00 14.22 H new ATOM 0 HA PHE A 31 1.501 0.260 -5.438 1.00 63.20 H new ATOM 0 HB2 PHE A 31 3.437 -0.851 -6.243 1.00 14.14 H new ATOM 0 HB3 PHE A 31 3.229 0.634 -7.150 1.00 14.14 H new ATOM 0 HD1 PHE A 31 5.342 -1.153 -4.742 1.00 0.23 H new ATOM 0 HD2 PHE A 31 4.885 2.423 -7.008 1.00 31.33 H new ATOM 0 HE1 PHE A 31 7.694 -0.603 -4.329 1.00 43.35 H new ATOM 0 HE2 PHE A 31 7.242 2.977 -6.590 1.00 35.03 H new ATOM 0 HZ PHE A 31 8.650 1.468 -5.253 1.00 11.53 H new ATOM 488 N VAL A 32 2.303 -0.879 -3.397 1.00 30.45 N ATOM 489 CA VAL A 32 2.596 -1.448 -2.125 1.00 45.21 C ATOM 490 C VAL A 32 3.689 -2.496 -2.303 1.00 1.24 C ATOM 491 O VAL A 32 3.773 -3.158 -3.349 1.00 15.23 O ATOM 492 CB VAL A 32 1.326 -2.055 -1.446 1.00 62.34 C ATOM 493 CG1 VAL A 32 0.714 -3.164 -2.274 1.00 35.54 C ATOM 494 CG2 VAL A 32 1.614 -2.530 -0.029 1.00 13.41 C ATOM 0 H VAL A 32 1.683 -1.442 -3.979 1.00 30.45 H new ATOM 0 HA VAL A 32 2.946 -0.662 -1.456 1.00 45.21 H new ATOM 0 HB VAL A 32 0.594 -1.250 -1.384 1.00 62.34 H new ATOM 0 HG11 VAL A 32 -0.166 -3.556 -1.764 1.00 35.54 H new ATOM 0 HG12 VAL A 32 0.423 -2.772 -3.249 1.00 35.54 H new ATOM 0 HG13 VAL A 32 1.443 -3.964 -2.407 1.00 35.54 H new ATOM 0 HG21 VAL A 32 0.705 -2.945 0.407 1.00 13.41 H new ATOM 0 HG22 VAL A 32 2.388 -3.297 -0.053 1.00 13.41 H new ATOM 0 HG23 VAL A 32 1.955 -1.689 0.575 1.00 13.41 H new ATOM 504 N HIS A 33 4.529 -2.614 -1.325 1.00 34.44 N ATOM 505 CA HIS A 33 5.635 -3.520 -1.370 1.00 71.52 C ATOM 506 C HIS A 33 5.714 -4.246 -0.031 1.00 10.35 C ATOM 507 O HIS A 33 5.159 -3.767 0.945 1.00 43.41 O ATOM 508 CB HIS A 33 6.905 -2.715 -1.681 1.00 13.15 C ATOM 509 CG HIS A 33 8.117 -3.540 -1.826 1.00 31.51 C ATOM 510 ND1 HIS A 33 8.146 -4.689 -2.558 1.00 60.45 N ATOM 511 CD2 HIS A 33 9.321 -3.412 -1.289 1.00 12.12 C ATOM 512 CE1 HIS A 33 9.321 -5.225 -2.453 1.00 25.31 C ATOM 513 NE2 HIS A 33 10.054 -4.465 -1.696 1.00 24.32 N ATOM 0 H HIS A 33 4.466 -2.077 -0.460 1.00 34.44 H new ATOM 0 HA HIS A 33 5.518 -4.272 -2.150 1.00 71.52 H new ATOM 0 HB2 HIS A 33 6.749 -2.151 -2.601 1.00 13.15 H new ATOM 0 HB3 HIS A 33 7.066 -1.988 -0.885 1.00 13.15 H new ATOM 0 HD1 HIS A 33 7.369 -5.066 -3.101 1.00 60.45 H new ATOM 0 HD2 HIS A 33 9.653 -2.612 -0.644 1.00 12.12 H new ATOM 0 HE1 HIS A 33 9.638 -6.148 -2.916 1.00 25.31 H new ATOM 522 N LYS A 34 6.407 -5.380 0.030 1.00 53.31 N ATOM 523 CA LYS A 34 6.434 -6.177 1.258 1.00 21.13 C ATOM 524 C LYS A 34 7.182 -5.481 2.395 1.00 11.02 C ATOM 525 O LYS A 34 7.004 -5.812 3.556 1.00 42.45 O ATOM 526 CB LYS A 34 6.900 -7.617 1.020 1.00 52.14 C ATOM 527 CG LYS A 34 6.915 -8.469 2.272 1.00 60.32 C ATOM 528 CD LYS A 34 7.232 -9.888 1.965 1.00 44.22 C ATOM 529 CE LYS A 34 7.301 -10.730 3.222 1.00 53.23 C ATOM 530 NZ LYS A 34 8.412 -10.318 4.112 1.00 5.22 N ATOM 0 H LYS A 34 6.950 -5.765 -0.742 1.00 53.31 H new ATOM 0 HA LYS A 34 5.399 -6.257 1.592 1.00 21.13 H new ATOM 0 HB2 LYS A 34 6.247 -8.083 0.282 1.00 52.14 H new ATOM 0 HB3 LYS A 34 7.902 -7.599 0.592 1.00 52.14 H new ATOM 0 HG2 LYS A 34 7.651 -8.075 2.972 1.00 60.32 H new ATOM 0 HG3 LYS A 34 5.944 -8.411 2.764 1.00 60.32 H new ATOM 0 HD2 LYS A 34 6.473 -10.294 1.296 1.00 44.22 H new ATOM 0 HD3 LYS A 34 8.184 -9.942 1.438 1.00 44.22 H new ATOM 0 HE2 LYS A 34 6.357 -10.652 3.762 1.00 53.23 H new ATOM 0 HE3 LYS A 34 7.426 -11.778 2.949 1.00 53.23 H new ATOM 0 HZ1 LYS A 34 8.506 -11.002 4.889 1.00 5.22 H new ATOM 0 HZ2 LYS A 34 9.298 -10.287 3.569 1.00 5.22 H new ATOM 0 HZ3 LYS A 34 8.212 -9.375 4.503 1.00 5.22 H new ATOM 544 N SER A 35 7.997 -4.501 2.057 1.00 74.22 N ATOM 545 CA SER A 35 8.614 -3.635 3.074 1.00 4.33 C ATOM 546 C SER A 35 7.522 -2.963 3.945 1.00 23.45 C ATOM 547 O SER A 35 7.775 -2.541 5.078 1.00 2.22 O ATOM 548 CB SER A 35 9.467 -2.582 2.395 1.00 13.41 C ATOM 549 OG SER A 35 10.419 -3.195 1.553 1.00 63.51 O ATOM 0 H SER A 35 8.254 -4.276 1.096 1.00 74.22 H new ATOM 0 HA SER A 35 9.245 -4.242 3.723 1.00 4.33 H new ATOM 0 HB2 SER A 35 8.835 -1.911 1.813 1.00 13.41 H new ATOM 0 HB3 SER A 35 9.972 -1.974 3.145 1.00 13.41 H new ATOM 0 HG SER A 35 10.963 -2.506 1.118 1.00 63.51 H new ATOM 555 N ALA A 36 6.309 -2.881 3.405 1.00 53.10 N ATOM 556 CA ALA A 36 5.181 -2.362 4.123 1.00 32.00 C ATOM 557 C ALA A 36 4.602 -3.426 5.026 1.00 43.21 C ATOM 558 O ALA A 36 4.109 -3.125 6.117 1.00 4.23 O ATOM 559 CB ALA A 36 4.139 -1.885 3.186 1.00 32.42 C ATOM 0 H ALA A 36 6.095 -3.177 2.453 1.00 53.10 H new ATOM 0 HA ALA A 36 5.521 -1.522 4.728 1.00 32.00 H new ATOM 0 HB1 ALA A 36 3.292 -1.495 3.751 1.00 32.42 H new ATOM 0 HB2 ALA A 36 4.549 -1.095 2.557 1.00 32.42 H new ATOM 0 HB3 ALA A 36 3.807 -2.713 2.559 1.00 32.42 H new ATOM 565 N VAL A 37 4.651 -4.677 4.560 1.00 72.42 N ATOM 566 CA VAL A 37 4.241 -5.804 5.373 1.00 44.33 C ATOM 567 C VAL A 37 5.171 -5.901 6.533 1.00 23.45 C ATOM 568 O VAL A 37 4.741 -5.893 7.635 1.00 21.53 O ATOM 569 CB VAL A 37 4.239 -7.163 4.615 1.00 25.31 C ATOM 570 CG1 VAL A 37 3.921 -8.310 5.591 1.00 24.14 C ATOM 571 CG2 VAL A 37 3.215 -7.135 3.489 1.00 22.42 C ATOM 0 H VAL A 37 4.971 -4.925 3.624 1.00 72.42 H new ATOM 0 HA VAL A 37 3.211 -5.621 5.680 1.00 44.33 H new ATOM 0 HB VAL A 37 5.227 -7.328 4.186 1.00 25.31 H new ATOM 0 HG11 VAL A 37 3.922 -9.257 5.052 1.00 24.14 H new ATOM 0 HG12 VAL A 37 4.676 -8.339 6.377 1.00 24.14 H new ATOM 0 HG13 VAL A 37 2.940 -8.147 6.037 1.00 24.14 H new ATOM 0 HG21 VAL A 37 3.223 -8.091 2.966 1.00 22.42 H new ATOM 0 HG22 VAL A 37 2.223 -6.957 3.904 1.00 22.42 H new ATOM 0 HG23 VAL A 37 3.465 -6.337 2.790 1.00 22.42 H new ATOM 581 N ASP A 38 6.461 -5.924 6.256 1.00 13.12 N ATOM 582 CA ASP A 38 7.488 -5.995 7.298 1.00 3.11 C ATOM 583 C ASP A 38 7.435 -4.808 8.232 1.00 65.42 C ATOM 584 O ASP A 38 7.903 -4.883 9.374 1.00 21.30 O ATOM 585 CB ASP A 38 8.901 -6.186 6.724 1.00 32.22 C ATOM 586 CG ASP A 38 9.127 -7.573 6.165 1.00 75.21 C ATOM 587 OD1 ASP A 38 9.535 -8.474 6.943 1.00 23.33 O ATOM 588 OD2 ASP A 38 8.902 -7.795 4.964 1.00 62.25 O ATOM 0 H ASP A 38 6.834 -5.894 5.307 1.00 13.12 H new ATOM 0 HA ASP A 38 7.258 -6.885 7.884 1.00 3.11 H new ATOM 0 HB2 ASP A 38 9.071 -5.451 5.937 1.00 32.22 H new ATOM 0 HB3 ASP A 38 9.635 -5.991 7.506 1.00 32.22 H new ATOM 593 N ALA A 39 6.860 -3.710 7.763 1.00 10.45 N ATOM 594 CA ALA A 39 6.691 -2.541 8.601 1.00 51.03 C ATOM 595 C ALA A 39 5.736 -2.821 9.781 1.00 41.33 C ATOM 596 O ALA A 39 5.916 -2.284 10.869 1.00 65.45 O ATOM 597 CB ALA A 39 6.179 -1.371 7.780 1.00 5.30 C ATOM 0 H ALA A 39 6.506 -3.608 6.812 1.00 10.45 H new ATOM 0 HA ALA A 39 7.667 -2.287 9.014 1.00 51.03 H new ATOM 0 HB1 ALA A 39 6.057 -0.500 8.424 1.00 5.30 H new ATOM 0 HB2 ALA A 39 6.894 -1.141 6.990 1.00 5.30 H new ATOM 0 HB3 ALA A 39 5.218 -1.631 7.336 1.00 5.30 H new ATOM 603 N ALA A 40 4.735 -3.672 9.565 1.00 64.34 N ATOM 604 CA ALA A 40 3.737 -3.936 10.618 1.00 54.32 C ATOM 605 C ALA A 40 3.494 -5.431 10.844 1.00 33.43 C ATOM 606 O ALA A 40 2.682 -5.819 11.692 1.00 54.35 O ATOM 607 CB ALA A 40 2.435 -3.252 10.259 1.00 23.31 C ATOM 0 H ALA A 40 4.588 -4.183 8.695 1.00 64.34 H new ATOM 0 HA ALA A 40 4.134 -3.535 11.551 1.00 54.32 H new ATOM 0 HB1 ALA A 40 1.696 -3.446 11.036 1.00 23.31 H new ATOM 0 HB2 ALA A 40 2.600 -2.178 10.175 1.00 23.31 H new ATOM 0 HB3 ALA A 40 2.071 -3.639 9.307 1.00 23.31 H new ATOM 613 N GLY A 41 4.196 -6.248 10.100 1.00 44.02 N ATOM 614 CA GLY A 41 4.006 -7.686 10.109 1.00 1.42 C ATOM 615 C GLY A 41 2.591 -8.045 9.772 1.00 72.33 C ATOM 616 O GLY A 41 1.943 -8.790 10.493 1.00 51.32 O ATOM 0 H GLY A 41 4.926 -5.934 9.461 1.00 44.02 H new ATOM 0 HA2 GLY A 41 4.683 -8.150 9.392 1.00 1.42 H new ATOM 0 HA3 GLY A 41 4.261 -8.084 11.091 1.00 1.42 H new ATOM 620 N LEU A 42 2.120 -7.472 8.687 1.00 70.12 N ATOM 621 CA LEU A 42 0.778 -7.673 8.188 1.00 22.23 C ATOM 622 C LEU A 42 0.680 -9.151 7.759 1.00 40.40 C ATOM 623 O LEU A 42 1.623 -9.677 7.188 1.00 41.24 O ATOM 624 CB LEU A 42 0.602 -6.723 6.981 1.00 61.13 C ATOM 625 CG LEU A 42 -0.818 -6.305 6.565 1.00 3.31 C ATOM 626 CD1 LEU A 42 -1.694 -7.472 6.176 1.00 41.51 C ATOM 627 CD2 LEU A 42 -1.468 -5.462 7.646 1.00 71.34 C ATOM 0 H LEU A 42 2.674 -6.837 8.112 1.00 70.12 H new ATOM 0 HA LEU A 42 0.003 -7.461 8.925 1.00 22.23 H new ATOM 0 HB2 LEU A 42 1.164 -5.814 7.193 1.00 61.13 H new ATOM 0 HB3 LEU A 42 1.072 -7.195 6.119 1.00 61.13 H new ATOM 0 HG LEU A 42 -0.713 -5.699 5.665 1.00 3.31 H new ATOM 0 HD11 LEU A 42 -2.682 -7.107 5.894 1.00 41.51 H new ATOM 0 HD12 LEU A 42 -1.246 -7.998 5.333 1.00 41.51 H new ATOM 0 HD13 LEU A 42 -1.787 -8.154 7.021 1.00 41.51 H new ATOM 0 HD21 LEU A 42 -2.472 -5.177 7.331 1.00 71.34 H new ATOM 0 HD22 LEU A 42 -1.527 -6.037 8.570 1.00 71.34 H new ATOM 0 HD23 LEU A 42 -0.873 -4.565 7.815 1.00 71.34 H new ATOM 639 N HIS A 43 -0.427 -9.816 8.053 1.00 62.30 N ATOM 640 CA HIS A 43 -0.549 -11.238 7.740 1.00 40.01 C ATOM 641 C HIS A 43 -0.492 -11.499 6.236 1.00 5.15 C ATOM 642 O HIS A 43 0.338 -12.272 5.771 1.00 60.14 O ATOM 643 CB HIS A 43 -1.836 -11.838 8.329 1.00 34.53 C ATOM 644 CG HIS A 43 -1.980 -13.321 8.099 1.00 2.33 C ATOM 645 ND1 HIS A 43 -2.728 -13.861 7.075 1.00 24.13 N ATOM 646 CD2 HIS A 43 -1.473 -14.374 8.778 1.00 52.32 C ATOM 647 CE1 HIS A 43 -2.672 -15.173 7.136 1.00 24.32 C ATOM 648 NE2 HIS A 43 -1.919 -15.511 8.157 1.00 31.42 N ATOM 0 H HIS A 43 -1.245 -9.404 8.502 1.00 62.30 H new ATOM 0 HA HIS A 43 0.307 -11.730 8.202 1.00 40.01 H new ATOM 0 HB2 HIS A 43 -1.859 -11.643 9.401 1.00 34.53 H new ATOM 0 HB3 HIS A 43 -2.695 -11.328 7.894 1.00 34.53 H new ATOM 0 HD2 HIS A 43 -0.835 -14.328 9.648 1.00 52.32 H new ATOM 0 HE1 HIS A 43 -3.163 -15.858 6.460 1.00 24.32 H new ATOM 0 HE2 HIS A 43 -1.701 -16.466 8.442 1.00 31.42 H new ATOM 657 N SER A 44 -1.370 -10.859 5.499 1.00 12.11 N ATOM 658 CA SER A 44 -1.468 -11.071 4.074 1.00 11.34 C ATOM 659 C SER A 44 -2.341 -10.003 3.441 1.00 54.21 C ATOM 660 O SER A 44 -3.217 -9.435 4.105 1.00 31.30 O ATOM 661 CB SER A 44 -2.046 -12.474 3.814 1.00 31.32 C ATOM 662 OG SER A 44 -3.257 -12.679 4.550 1.00 53.15 O ATOM 0 H SER A 44 -2.034 -10.179 5.869 1.00 12.11 H new ATOM 0 HA SER A 44 -0.477 -11.003 3.624 1.00 11.34 H new ATOM 0 HB2 SER A 44 -2.239 -12.599 2.749 1.00 31.32 H new ATOM 0 HB3 SER A 44 -1.313 -13.230 4.096 1.00 31.32 H new ATOM 0 HG SER A 44 -3.071 -13.228 5.340 1.00 53.15 H new ATOM 668 N LEU A 45 -2.098 -9.710 2.187 1.00 44.04 N ATOM 669 CA LEU A 45 -2.904 -8.744 1.477 1.00 52.52 C ATOM 670 C LEU A 45 -3.647 -9.421 0.365 1.00 63.33 C ATOM 671 O LEU A 45 -3.200 -10.443 -0.162 1.00 53.42 O ATOM 672 CB LEU A 45 -2.050 -7.620 0.887 1.00 65.11 C ATOM 673 CG LEU A 45 -1.242 -6.775 1.865 1.00 63.44 C ATOM 674 CD1 LEU A 45 -0.384 -5.789 1.099 1.00 44.30 C ATOM 675 CD2 LEU A 45 -2.171 -6.033 2.817 1.00 63.42 C ATOM 0 H LEU A 45 -1.348 -10.126 1.635 1.00 44.04 H new ATOM 0 HA LEU A 45 -3.602 -8.310 2.193 1.00 52.52 H new ATOM 0 HB2 LEU A 45 -1.358 -8.062 0.170 1.00 65.11 H new ATOM 0 HB3 LEU A 45 -2.707 -6.954 0.327 1.00 65.11 H new ATOM 0 HG LEU A 45 -0.598 -7.430 2.451 1.00 63.44 H new ATOM 0 HD11 LEU A 45 0.192 -5.186 1.801 1.00 44.30 H new ATOM 0 HD12 LEU A 45 0.296 -6.332 0.443 1.00 44.30 H new ATOM 0 HD13 LEU A 45 -1.023 -5.138 0.501 1.00 44.30 H new ATOM 0 HD21 LEU A 45 -1.580 -5.434 3.509 1.00 63.42 H new ATOM 0 HD22 LEU A 45 -2.832 -5.381 2.246 1.00 63.42 H new ATOM 0 HD23 LEU A 45 -2.767 -6.753 3.378 1.00 63.42 H new ATOM 687 N GLU A 46 -4.762 -8.860 0.020 1.00 33.30 N ATOM 688 CA GLU A 46 -5.583 -9.318 -1.060 1.00 22.02 C ATOM 689 C GLU A 46 -6.365 -8.134 -1.542 1.00 63.01 C ATOM 690 O GLU A 46 -6.441 -7.120 -0.829 1.00 70.32 O ATOM 691 CB GLU A 46 -6.538 -10.442 -0.612 1.00 1.34 C ATOM 692 CG GLU A 46 -7.458 -10.065 0.538 1.00 3.43 C ATOM 693 CD GLU A 46 -8.436 -11.156 0.880 1.00 32.55 C ATOM 694 OE1 GLU A 46 -8.026 -12.163 1.491 1.00 65.12 O ATOM 695 OE2 GLU A 46 -9.636 -11.035 0.520 1.00 11.32 O ATOM 0 H GLU A 46 -5.141 -8.042 0.498 1.00 33.30 H new ATOM 0 HA GLU A 46 -4.961 -9.735 -1.852 1.00 22.02 H new ATOM 0 HB2 GLU A 46 -7.147 -10.745 -1.464 1.00 1.34 H new ATOM 0 HB3 GLU A 46 -5.946 -11.309 -0.318 1.00 1.34 H new ATOM 0 HG2 GLU A 46 -6.857 -9.832 1.417 1.00 3.43 H new ATOM 0 HG3 GLU A 46 -8.006 -9.160 0.278 1.00 3.43 H new ATOM 702 N GLU A 47 -6.933 -8.226 -2.704 1.00 20.00 N ATOM 703 CA GLU A 47 -7.699 -7.136 -3.215 1.00 54.02 C ATOM 704 C GLU A 47 -9.030 -7.066 -2.497 1.00 42.35 C ATOM 705 O GLU A 47 -9.549 -8.083 -2.025 1.00 33.50 O ATOM 706 CB GLU A 47 -7.887 -7.186 -4.743 1.00 23.20 C ATOM 707 CG GLU A 47 -8.553 -8.440 -5.297 1.00 13.31 C ATOM 708 CD GLU A 47 -7.672 -9.677 -5.263 1.00 52.01 C ATOM 709 OE1 GLU A 47 -7.651 -10.385 -4.235 1.00 53.45 O ATOM 710 OE2 GLU A 47 -6.979 -9.955 -6.271 1.00 31.22 O ATOM 0 H GLU A 47 -6.880 -9.042 -3.314 1.00 20.00 H new ATOM 0 HA GLU A 47 -7.134 -6.224 -3.021 1.00 54.02 H new ATOM 0 HB2 GLU A 47 -8.479 -6.322 -5.044 1.00 23.20 H new ATOM 0 HB3 GLU A 47 -6.909 -7.081 -5.212 1.00 23.20 H new ATOM 0 HG2 GLU A 47 -9.461 -8.638 -4.727 1.00 13.31 H new ATOM 0 HG3 GLU A 47 -8.857 -8.252 -6.327 1.00 13.31 H new ATOM 717 N GLY A 48 -9.563 -5.886 -2.401 1.00 5.44 N ATOM 718 CA GLY A 48 -10.813 -5.688 -1.686 1.00 2.43 C ATOM 719 C GLY A 48 -10.597 -5.269 -0.242 1.00 12.35 C ATOM 720 O GLY A 48 -11.542 -4.899 0.452 1.00 72.41 O ATOM 0 H GLY A 48 -9.162 -5.039 -2.804 1.00 5.44 H new ATOM 0 HA2 GLY A 48 -11.404 -4.928 -2.197 1.00 2.43 H new ATOM 0 HA3 GLY A 48 -11.392 -6.611 -1.710 1.00 2.43 H new ATOM 724 N GLN A 49 -9.363 -5.340 0.212 1.00 43.33 N ATOM 725 CA GLN A 49 -9.009 -4.923 1.554 1.00 34.43 C ATOM 726 C GLN A 49 -8.881 -3.433 1.626 1.00 25.11 C ATOM 727 O GLN A 49 -8.289 -2.819 0.752 1.00 41.10 O ATOM 728 CB GLN A 49 -7.677 -5.549 1.967 1.00 21.02 C ATOM 729 CG GLN A 49 -7.740 -7.007 2.367 1.00 32.23 C ATOM 730 CD GLN A 49 -8.064 -7.241 3.843 1.00 44.43 C ATOM 731 OE1 GLN A 49 -7.633 -8.232 4.417 1.00 3.55 O ATOM 732 NE2 GLN A 49 -8.804 -6.362 4.467 1.00 71.04 N ATOM 0 H GLN A 49 -8.577 -5.688 -0.338 1.00 43.33 H new ATOM 0 HA GLN A 49 -9.799 -5.253 2.228 1.00 34.43 H new ATOM 0 HB2 GLN A 49 -6.975 -5.447 1.139 1.00 21.02 H new ATOM 0 HB3 GLN A 49 -7.270 -4.978 2.802 1.00 21.02 H new ATOM 0 HG2 GLN A 49 -8.494 -7.507 1.758 1.00 32.23 H new ATOM 0 HG3 GLN A 49 -6.783 -7.476 2.138 1.00 32.23 H new ATOM 0 HE21 GLN A 49 -9.153 -5.543 3.969 1.00 71.04 H new ATOM 0 HE22 GLN A 49 -9.033 -6.495 5.452 1.00 71.04 H new ATOM 741 N ASP A 50 -9.430 -2.861 2.641 1.00 72.01 N ATOM 742 CA ASP A 50 -9.245 -1.468 2.891 1.00 25.14 C ATOM 743 C ASP A 50 -8.079 -1.348 3.804 1.00 63.11 C ATOM 744 O ASP A 50 -8.027 -2.009 4.841 1.00 61.10 O ATOM 745 CB ASP A 50 -10.474 -0.819 3.510 1.00 52.11 C ATOM 746 CG ASP A 50 -11.622 -0.613 2.550 1.00 71.43 C ATOM 747 OD1 ASP A 50 -12.346 -1.573 2.255 1.00 55.34 O ATOM 748 OD2 ASP A 50 -11.833 0.549 2.107 1.00 43.04 O ATOM 0 H ASP A 50 -10.019 -3.341 3.321 1.00 72.01 H new ATOM 0 HA ASP A 50 -9.075 -0.946 1.949 1.00 25.14 H new ATOM 0 HB2 ASP A 50 -10.817 -1.437 4.340 1.00 52.11 H new ATOM 0 HB3 ASP A 50 -10.188 0.146 3.928 1.00 52.11 H new ATOM 753 N VAL A 51 -7.151 -0.554 3.444 1.00 15.12 N ATOM 754 CA VAL A 51 -5.941 -0.472 4.169 1.00 34.34 C ATOM 755 C VAL A 51 -5.541 0.976 4.407 1.00 70.12 C ATOM 756 O VAL A 51 -5.944 1.885 3.675 1.00 73.34 O ATOM 757 CB VAL A 51 -4.819 -1.256 3.421 1.00 61.23 C ATOM 758 CG1 VAL A 51 -4.501 -0.655 2.050 1.00 32.44 C ATOM 759 CG2 VAL A 51 -3.576 -1.430 4.267 1.00 0.45 C ATOM 0 H VAL A 51 -7.205 0.063 2.634 1.00 15.12 H new ATOM 0 HA VAL A 51 -6.088 -0.930 5.147 1.00 34.34 H new ATOM 0 HB VAL A 51 -5.215 -2.255 3.238 1.00 61.23 H new ATOM 0 HG11 VAL A 51 -3.714 -1.237 1.571 1.00 32.44 H new ATOM 0 HG12 VAL A 51 -5.396 -0.674 1.428 1.00 32.44 H new ATOM 0 HG13 VAL A 51 -4.166 0.375 2.173 1.00 32.44 H new ATOM 0 HG21 VAL A 51 -2.825 -1.982 3.701 1.00 0.45 H new ATOM 0 HG22 VAL A 51 -3.180 -0.451 4.537 1.00 0.45 H new ATOM 0 HG23 VAL A 51 -3.827 -1.983 5.172 1.00 0.45 H new ATOM 769 N ILE A 52 -4.810 1.169 5.443 1.00 63.13 N ATOM 770 CA ILE A 52 -4.285 2.433 5.820 1.00 42.02 C ATOM 771 C ILE A 52 -2.776 2.311 5.778 1.00 41.31 C ATOM 772 O ILE A 52 -2.222 1.323 6.262 1.00 11.22 O ATOM 773 CB ILE A 52 -4.731 2.806 7.256 1.00 10.10 C ATOM 774 CG1 ILE A 52 -6.264 2.764 7.355 1.00 4.33 C ATOM 775 CG2 ILE A 52 -4.212 4.196 7.628 1.00 41.34 C ATOM 776 CD1 ILE A 52 -6.803 2.961 8.750 1.00 42.42 C ATOM 0 H ILE A 52 -4.549 0.417 6.081 1.00 63.13 H new ATOM 0 HA ILE A 52 -4.645 3.210 5.146 1.00 42.02 H new ATOM 0 HB ILE A 52 -4.313 2.082 7.956 1.00 10.10 H new ATOM 0 HG12 ILE A 52 -6.679 3.535 6.706 1.00 4.33 H new ATOM 0 HG13 ILE A 52 -6.615 1.804 6.975 1.00 4.33 H new ATOM 0 HG21 ILE A 52 -4.533 4.445 8.639 1.00 41.34 H new ATOM 0 HG22 ILE A 52 -3.123 4.202 7.581 1.00 41.34 H new ATOM 0 HG23 ILE A 52 -4.610 4.932 6.929 1.00 41.34 H new ATOM 0 HD11 ILE A 52 -7.892 2.917 8.729 1.00 42.42 H new ATOM 0 HD12 ILE A 52 -6.421 2.176 9.402 1.00 42.42 H new ATOM 0 HD13 ILE A 52 -6.486 3.933 9.128 1.00 42.42 H new ATOM 788 N PHE A 53 -2.126 3.262 5.185 1.00 25.11 N ATOM 789 CA PHE A 53 -0.687 3.226 5.060 1.00 21.03 C ATOM 790 C PHE A 53 -0.132 4.615 5.168 1.00 21.33 C ATOM 791 O PHE A 53 -0.878 5.569 5.352 1.00 33.01 O ATOM 792 CB PHE A 53 -0.271 2.602 3.707 1.00 62.24 C ATOM 793 CG PHE A 53 -0.830 3.292 2.490 1.00 71.33 C ATOM 794 CD1 PHE A 53 -2.109 3.008 2.039 1.00 30.32 C ATOM 795 CD2 PHE A 53 -0.071 4.213 1.792 1.00 40.23 C ATOM 796 CE1 PHE A 53 -2.611 3.627 0.924 1.00 44.42 C ATOM 797 CE2 PHE A 53 -0.572 4.837 0.675 1.00 72.43 C ATOM 798 CZ PHE A 53 -1.845 4.543 0.240 1.00 54.20 C ATOM 0 H PHE A 53 -2.566 4.085 4.773 1.00 25.11 H new ATOM 0 HA PHE A 53 -0.286 2.610 5.865 1.00 21.03 H new ATOM 0 HB2 PHE A 53 0.817 2.606 3.641 1.00 62.24 H new ATOM 0 HB3 PHE A 53 -0.587 1.559 3.692 1.00 62.24 H new ATOM 0 HD1 PHE A 53 -2.717 2.291 2.572 1.00 30.32 H new ATOM 0 HD2 PHE A 53 0.929 4.445 2.129 1.00 40.23 H new ATOM 0 HE1 PHE A 53 -3.609 3.396 0.582 1.00 44.42 H new ATOM 0 HE2 PHE A 53 0.031 5.556 0.140 1.00 72.43 H new ATOM 0 HZ PHE A 53 -2.242 5.031 -0.638 1.00 54.20 H new ATOM 808 N ASP A 54 1.154 4.730 5.050 1.00 23.23 N ATOM 809 CA ASP A 54 1.799 6.013 5.046 1.00 31.11 C ATOM 810 C ASP A 54 2.587 6.105 3.793 1.00 53.34 C ATOM 811 O ASP A 54 3.138 5.098 3.326 1.00 2.11 O ATOM 812 CB ASP A 54 2.706 6.219 6.268 1.00 22.44 C ATOM 813 CG ASP A 54 1.955 6.179 7.579 1.00 22.54 C ATOM 814 OD1 ASP A 54 1.379 7.205 7.995 1.00 40.33 O ATOM 815 OD2 ASP A 54 1.933 5.133 8.223 1.00 52.51 O ATOM 0 H ASP A 54 1.790 3.938 4.953 1.00 23.23 H new ATOM 0 HA ASP A 54 1.043 6.796 5.098 1.00 31.11 H new ATOM 0 HB2 ASP A 54 3.477 5.448 6.274 1.00 22.44 H new ATOM 0 HB3 ASP A 54 3.215 7.179 6.177 1.00 22.44 H new ATOM 820 N LEU A 55 2.640 7.258 3.221 1.00 42.40 N ATOM 821 CA LEU A 55 3.300 7.411 1.973 1.00 73.22 C ATOM 822 C LEU A 55 4.473 8.340 2.042 1.00 23.45 C ATOM 823 O LEU A 55 4.354 9.542 2.322 1.00 24.22 O ATOM 824 CB LEU A 55 2.317 7.819 0.894 1.00 72.04 C ATOM 825 CG LEU A 55 2.862 8.113 -0.505 1.00 21.11 C ATOM 826 CD1 LEU A 55 3.745 6.987 -0.975 1.00 44.10 C ATOM 827 CD2 LEU A 55 1.700 8.296 -1.479 1.00 72.23 C ATOM 0 H LEU A 55 2.232 8.112 3.601 1.00 42.40 H new ATOM 0 HA LEU A 55 3.711 6.437 1.708 1.00 73.22 H new ATOM 0 HB2 LEU A 55 1.575 7.026 0.803 1.00 72.04 H new ATOM 0 HB3 LEU A 55 1.792 8.709 1.241 1.00 72.04 H new ATOM 0 HG LEU A 55 3.454 9.027 -0.466 1.00 21.11 H new ATOM 0 HD11 LEU A 55 4.124 7.213 -1.972 1.00 44.10 H new ATOM 0 HD12 LEU A 55 4.582 6.870 -0.287 1.00 44.10 H new ATOM 0 HD13 LEU A 55 3.169 6.062 -1.007 1.00 44.10 H new ATOM 0 HD21 LEU A 55 2.090 8.505 -2.475 1.00 72.23 H new ATOM 0 HD22 LEU A 55 1.102 7.385 -1.507 1.00 72.23 H new ATOM 0 HD23 LEU A 55 1.078 9.128 -1.151 1.00 72.23 H new ATOM 839 N GLU A 56 5.581 7.766 1.780 1.00 13.53 N ATOM 840 CA GLU A 56 6.825 8.446 1.694 1.00 34.31 C ATOM 841 C GLU A 56 7.149 8.508 0.221 1.00 72.11 C ATOM 842 O GLU A 56 7.168 7.471 -0.458 1.00 51.13 O ATOM 843 CB GLU A 56 7.881 7.659 2.457 1.00 3.40 C ATOM 844 CG GLU A 56 9.240 8.314 2.510 1.00 3.22 C ATOM 845 CD GLU A 56 10.198 7.514 3.333 1.00 45.31 C ATOM 846 OE1 GLU A 56 10.237 7.706 4.576 1.00 71.20 O ATOM 847 OE2 GLU A 56 10.917 6.674 2.772 1.00 14.11 O ATOM 0 H GLU A 56 5.657 6.763 1.611 1.00 13.53 H new ATOM 0 HA GLU A 56 6.791 9.446 2.127 1.00 34.31 H new ATOM 0 HB2 GLU A 56 7.530 7.499 3.476 1.00 3.40 H new ATOM 0 HB3 GLU A 56 7.984 6.676 1.998 1.00 3.40 H new ATOM 0 HG2 GLU A 56 9.632 8.426 1.499 1.00 3.22 H new ATOM 0 HG3 GLU A 56 9.147 9.316 2.928 1.00 3.22 H new ATOM 854 N GLU A 57 7.361 9.679 -0.285 1.00 5.22 N ATOM 855 CA GLU A 57 7.523 9.827 -1.695 1.00 75.23 C ATOM 856 C GLU A 57 8.983 9.756 -2.100 1.00 33.15 C ATOM 857 O GLU A 57 9.856 10.384 -1.496 1.00 34.32 O ATOM 858 CB GLU A 57 6.833 11.094 -2.188 1.00 22.44 C ATOM 859 CG GLU A 57 6.802 11.231 -3.695 1.00 70.21 C ATOM 860 CD GLU A 57 5.947 12.369 -4.139 1.00 41.43 C ATOM 861 OE1 GLU A 57 4.711 12.205 -4.183 1.00 43.23 O ATOM 862 OE2 GLU A 57 6.483 13.442 -4.464 1.00 35.14 O ATOM 0 H GLU A 57 7.426 10.543 0.253 1.00 5.22 H new ATOM 0 HA GLU A 57 7.033 8.986 -2.186 1.00 75.23 H new ATOM 0 HB2 GLU A 57 5.810 11.109 -1.811 1.00 22.44 H new ATOM 0 HB3 GLU A 57 7.341 11.960 -1.765 1.00 22.44 H new ATOM 0 HG2 GLU A 57 7.817 11.375 -4.066 1.00 70.21 H new ATOM 0 HG3 GLU A 57 6.430 10.306 -4.135 1.00 70.21 H new ATOM 869 N LYS A 58 9.226 8.981 -3.111 1.00 20.33 N ATOM 870 CA LYS A 58 10.532 8.727 -3.628 1.00 52.41 C ATOM 871 C LYS A 58 10.730 9.561 -4.894 1.00 61.51 C ATOM 872 O LYS A 58 10.511 9.075 -6.006 1.00 15.15 O ATOM 873 CB LYS A 58 10.652 7.223 -3.936 1.00 4.33 C ATOM 874 CG LYS A 58 12.003 6.763 -4.442 1.00 64.13 C ATOM 875 CD LYS A 58 11.985 5.274 -4.731 1.00 35.32 C ATOM 876 CE LYS A 58 13.328 4.799 -5.229 1.00 50.44 C ATOM 877 NZ LYS A 58 13.323 3.359 -5.552 1.00 45.43 N ATOM 0 H LYS A 58 8.490 8.489 -3.618 1.00 20.33 H new ATOM 0 HA LYS A 58 11.300 9.002 -2.905 1.00 52.41 H new ATOM 0 HB2 LYS A 58 10.414 6.665 -3.030 1.00 4.33 H new ATOM 0 HB3 LYS A 58 9.898 6.961 -4.678 1.00 4.33 H new ATOM 0 HG2 LYS A 58 12.265 7.312 -5.347 1.00 64.13 H new ATOM 0 HG3 LYS A 58 12.770 6.986 -3.701 1.00 64.13 H new ATOM 0 HD2 LYS A 58 11.716 4.728 -3.827 1.00 35.32 H new ATOM 0 HD3 LYS A 58 11.220 5.054 -5.475 1.00 35.32 H new ATOM 0 HE2 LYS A 58 13.607 5.368 -6.116 1.00 50.44 H new ATOM 0 HE3 LYS A 58 14.086 4.997 -4.471 1.00 50.44 H new ATOM 0 HZ1 LYS A 58 14.265 3.076 -5.890 1.00 45.43 H new ATOM 0 HZ2 LYS A 58 13.082 2.813 -4.700 1.00 45.43 H new ATOM 0 HZ3 LYS A 58 12.618 3.172 -6.294 1.00 45.43 H new ATOM 891 N GLN A 59 11.066 10.838 -4.698 1.00 20.11 N ATOM 892 CA GLN A 59 11.237 11.829 -5.779 1.00 61.42 C ATOM 893 C GLN A 59 9.911 12.076 -6.536 1.00 30.20 C ATOM 894 O GLN A 59 9.220 13.068 -6.280 1.00 31.12 O ATOM 895 CB GLN A 59 12.405 11.466 -6.729 1.00 44.32 C ATOM 896 CG GLN A 59 12.620 12.455 -7.873 1.00 12.33 C ATOM 897 CD GLN A 59 13.841 12.128 -8.710 1.00 60.41 C ATOM 898 OE1 GLN A 59 14.938 12.605 -8.436 1.00 23.13 O ATOM 899 NE2 GLN A 59 13.669 11.317 -9.714 1.00 53.22 N ATOM 0 H GLN A 59 11.231 11.226 -3.769 1.00 20.11 H new ATOM 0 HA GLN A 59 11.514 12.773 -5.310 1.00 61.42 H new ATOM 0 HB2 GLN A 59 13.324 11.399 -6.146 1.00 44.32 H new ATOM 0 HB3 GLN A 59 12.221 10.477 -7.150 1.00 44.32 H new ATOM 0 HG2 GLN A 59 11.738 12.461 -8.513 1.00 12.33 H new ATOM 0 HG3 GLN A 59 12.724 13.460 -7.464 1.00 12.33 H new ATOM 0 HE21 GLN A 59 12.742 10.940 -9.912 1.00 53.22 H new ATOM 0 HE22 GLN A 59 14.461 11.059 -10.303 1.00 53.22 H new ATOM 908 N GLY A 60 9.563 11.171 -7.422 1.00 3.42 N ATOM 909 CA GLY A 60 8.324 11.258 -8.149 1.00 63.11 C ATOM 910 C GLY A 60 7.596 9.939 -8.129 1.00 31.12 C ATOM 911 O GLY A 60 6.606 9.746 -8.834 1.00 70.25 O ATOM 0 H GLY A 60 10.131 10.357 -7.656 1.00 3.42 H new ATOM 0 HA2 GLY A 60 7.694 12.032 -7.711 1.00 63.11 H new ATOM 0 HA3 GLY A 60 8.522 11.553 -9.179 1.00 63.11 H new ATOM 915 N LYS A 61 8.100 9.023 -7.334 1.00 25.11 N ATOM 916 CA LYS A 61 7.520 7.726 -7.190 1.00 4.24 C ATOM 917 C LYS A 61 6.922 7.608 -5.793 1.00 24.33 C ATOM 918 O LYS A 61 7.355 8.283 -4.876 1.00 41.20 O ATOM 919 CB LYS A 61 8.580 6.632 -7.461 1.00 64.33 C ATOM 920 CG LYS A 61 8.046 5.203 -7.405 1.00 71.41 C ATOM 921 CD LYS A 61 6.846 5.023 -8.335 1.00 43.44 C ATOM 922 CE LYS A 61 7.184 5.281 -9.788 1.00 23.32 C ATOM 923 NZ LYS A 61 5.978 5.238 -10.632 1.00 72.54 N ATOM 0 H LYS A 61 8.935 9.169 -6.766 1.00 25.11 H new ATOM 0 HA LYS A 61 6.723 7.585 -7.920 1.00 4.24 H new ATOM 0 HB2 LYS A 61 9.018 6.804 -8.444 1.00 64.33 H new ATOM 0 HB3 LYS A 61 9.384 6.735 -6.732 1.00 64.33 H new ATOM 0 HG2 LYS A 61 8.835 4.506 -7.687 1.00 71.41 H new ATOM 0 HG3 LYS A 61 7.756 4.960 -6.383 1.00 71.41 H new ATOM 0 HD2 LYS A 61 6.461 4.009 -8.231 1.00 43.44 H new ATOM 0 HD3 LYS A 61 6.049 5.700 -8.027 1.00 43.44 H new ATOM 0 HE2 LYS A 61 7.664 6.255 -9.885 1.00 23.32 H new ATOM 0 HE3 LYS A 61 7.900 4.536 -10.135 1.00 23.32 H new ATOM 0 HZ1 LYS A 61 6.241 5.418 -11.622 1.00 72.54 H new ATOM 0 HZ2 LYS A 61 5.535 4.300 -10.557 1.00 72.54 H new ATOM 0 HZ3 LYS A 61 5.306 5.965 -10.314 1.00 72.54 H new ATOM 937 N ALA A 62 5.954 6.762 -5.638 1.00 51.15 N ATOM 938 CA ALA A 62 5.240 6.632 -4.405 1.00 15.33 C ATOM 939 C ALA A 62 5.086 5.167 -4.045 1.00 2.12 C ATOM 940 O ALA A 62 4.634 4.368 -4.868 1.00 21.21 O ATOM 941 CB ALA A 62 3.873 7.289 -4.561 1.00 52.23 C ATOM 0 H ALA A 62 5.632 6.133 -6.373 1.00 51.15 H new ATOM 0 HA ALA A 62 5.791 7.123 -3.603 1.00 15.33 H new ATOM 0 HB1 ALA A 62 3.317 7.198 -3.628 1.00 52.23 H new ATOM 0 HB2 ALA A 62 4.002 8.344 -4.805 1.00 52.23 H new ATOM 0 HB3 ALA A 62 3.322 6.796 -5.362 1.00 52.23 H new ATOM 947 N TYR A 63 5.457 4.812 -2.829 1.00 64.22 N ATOM 948 CA TYR A 63 5.308 3.447 -2.360 1.00 43.42 C ATOM 949 C TYR A 63 4.667 3.418 -0.981 1.00 54.22 C ATOM 950 O TYR A 63 5.022 4.200 -0.089 1.00 5.23 O ATOM 951 CB TYR A 63 6.632 2.682 -2.372 1.00 52.21 C ATOM 952 CG TYR A 63 7.727 3.217 -1.464 1.00 62.23 C ATOM 953 CD1 TYR A 63 8.400 4.408 -1.742 1.00 43.10 C ATOM 954 CD2 TYR A 63 8.093 2.514 -0.332 1.00 32.45 C ATOM 955 CE1 TYR A 63 9.404 4.870 -0.904 1.00 44.23 C ATOM 956 CE2 TYR A 63 9.086 2.967 0.503 1.00 13.25 C ATOM 957 CZ TYR A 63 9.737 4.140 0.220 1.00 4.30 C ATOM 958 OH TYR A 63 10.736 4.575 1.065 1.00 54.25 O ATOM 0 H TYR A 63 5.865 5.451 -2.147 1.00 64.22 H new ATOM 0 HA TYR A 63 4.645 2.936 -3.058 1.00 43.42 H new ATOM 0 HB2 TYR A 63 6.432 1.647 -2.094 1.00 52.21 H new ATOM 0 HB3 TYR A 63 7.011 2.670 -3.394 1.00 52.21 H new ATOM 0 HD1 TYR A 63 8.135 4.977 -2.621 1.00 43.10 H new ATOM 0 HD2 TYR A 63 7.588 1.589 -0.098 1.00 32.45 H new ATOM 0 HE1 TYR A 63 9.920 5.792 -1.128 1.00 44.23 H new ATOM 0 HE2 TYR A 63 9.354 2.399 1.382 1.00 13.25 H new ATOM 0 HH TYR A 63 10.439 5.383 1.534 1.00 54.25 H new ATOM 968 N ALA A 64 3.719 2.544 -0.840 1.00 22.54 N ATOM 969 CA ALA A 64 2.941 2.394 0.377 1.00 3.23 C ATOM 970 C ALA A 64 3.691 1.578 1.397 1.00 55.22 C ATOM 971 O ALA A 64 4.206 0.493 1.090 1.00 23.00 O ATOM 972 CB ALA A 64 1.604 1.738 0.055 1.00 1.54 C ATOM 0 H ALA A 64 3.449 1.894 -1.578 1.00 22.54 H new ATOM 0 HA ALA A 64 2.763 3.383 0.800 1.00 3.23 H new ATOM 0 HB1 ALA A 64 1.023 1.627 0.971 1.00 1.54 H new ATOM 0 HB2 ALA A 64 1.054 2.361 -0.651 1.00 1.54 H new ATOM 0 HB3 ALA A 64 1.777 0.756 -0.386 1.00 1.54 H new ATOM 978 N VAL A 65 3.748 2.102 2.602 1.00 5.00 N ATOM 979 CA VAL A 65 4.413 1.453 3.718 1.00 72.13 C ATOM 980 C VAL A 65 3.602 1.618 4.977 1.00 63.14 C ATOM 981 O VAL A 65 2.661 2.406 4.999 1.00 52.10 O ATOM 982 CB VAL A 65 5.871 1.965 3.971 1.00 43.42 C ATOM 983 CG1 VAL A 65 6.793 1.593 2.830 1.00 61.40 C ATOM 984 CG2 VAL A 65 5.895 3.470 4.203 1.00 21.42 C ATOM 0 H VAL A 65 3.330 3.001 2.840 1.00 5.00 H new ATOM 0 HA VAL A 65 4.491 0.400 3.446 1.00 72.13 H new ATOM 0 HB VAL A 65 6.233 1.473 4.874 1.00 43.42 H new ATOM 0 HG11 VAL A 65 7.797 1.963 3.038 1.00 61.40 H new ATOM 0 HG12 VAL A 65 6.821 0.509 2.724 1.00 61.40 H new ATOM 0 HG13 VAL A 65 6.426 2.039 1.905 1.00 61.40 H new ATOM 0 HG21 VAL A 65 6.921 3.795 4.376 1.00 21.42 H new ATOM 0 HG22 VAL A 65 5.495 3.980 3.326 1.00 21.42 H new ATOM 0 HG23 VAL A 65 5.286 3.714 5.073 1.00 21.42 H new ATOM 994 N ASN A 66 3.976 0.862 6.008 1.00 34.12 N ATOM 995 CA ASN A 66 3.333 0.903 7.332 1.00 55.50 C ATOM 996 C ASN A 66 1.854 0.546 7.207 1.00 33.43 C ATOM 997 O ASN A 66 0.971 1.378 7.453 1.00 61.20 O ATOM 998 CB ASN A 66 3.483 2.285 7.990 1.00 51.54 C ATOM 999 CG ASN A 66 3.173 2.259 9.481 1.00 64.12 C ATOM 1000 OD1 ASN A 66 3.412 1.256 10.161 1.00 21.52 O ATOM 1001 ND2 ASN A 66 2.642 3.330 9.994 1.00 44.42 N ATOM 0 H ASN A 66 4.744 0.193 5.952 1.00 34.12 H new ATOM 0 HA ASN A 66 3.832 0.171 7.967 1.00 55.50 H new ATOM 0 HB2 ASN A 66 4.500 2.646 7.840 1.00 51.54 H new ATOM 0 HB3 ASN A 66 2.817 2.993 7.496 1.00 51.54 H new ATOM 0 HD21 ASN A 66 2.410 3.359 10.987 1.00 44.42 H new ATOM 0 HD22 ASN A 66 2.458 4.141 9.403 1.00 44.42 H new ATOM 1008 N LEU A 67 1.584 -0.670 6.777 1.00 1.12 N ATOM 1009 CA LEU A 67 0.219 -1.053 6.511 1.00 73.42 C ATOM 1010 C LEU A 67 -0.551 -1.405 7.753 1.00 52.41 C ATOM 1011 O LEU A 67 -0.053 -2.060 8.660 1.00 40.24 O ATOM 1012 CB LEU A 67 0.096 -2.195 5.524 1.00 12.45 C ATOM 1013 CG LEU A 67 0.700 -2.010 4.144 1.00 23.51 C ATOM 1014 CD1 LEU A 67 0.226 -3.093 3.264 1.00 21.42 C ATOM 1015 CD2 LEU A 67 0.366 -0.671 3.542 1.00 62.12 C ATOM 0 H LEU A 67 2.280 -1.396 6.608 1.00 1.12 H new ATOM 0 HA LEU A 67 -0.218 -0.159 6.067 1.00 73.42 H new ATOM 0 HB2 LEU A 67 0.554 -3.076 5.974 1.00 12.45 H new ATOM 0 HB3 LEU A 67 -0.964 -2.415 5.398 1.00 12.45 H new ATOM 0 HG LEU A 67 1.785 -2.048 4.245 1.00 23.51 H new ATOM 0 HD11 LEU A 67 0.655 -2.968 2.270 1.00 21.42 H new ATOM 0 HD12 LEU A 67 0.533 -4.055 3.674 1.00 21.42 H new ATOM 0 HD13 LEU A 67 -0.861 -3.058 3.197 1.00 21.42 H new ATOM 0 HD21 LEU A 67 0.823 -0.591 2.556 1.00 62.12 H new ATOM 0 HD22 LEU A 67 -0.716 -0.573 3.450 1.00 62.12 H new ATOM 0 HD23 LEU A 67 0.749 0.122 4.184 1.00 62.12 H new ATOM 1027 N ARG A 68 -1.756 -0.966 7.754 1.00 4.31 N ATOM 1028 CA ARG A 68 -2.715 -1.189 8.764 1.00 64.12 C ATOM 1029 C ARG A 68 -4.028 -1.446 8.078 1.00 23.54 C ATOM 1030 O ARG A 68 -4.385 -0.709 7.200 1.00 71.22 O ATOM 1031 CB ARG A 68 -2.834 0.081 9.552 1.00 24.40 C ATOM 1032 CG ARG A 68 -1.710 0.371 10.503 1.00 32.45 C ATOM 1033 CD ARG A 68 -1.806 1.790 10.994 1.00 65.44 C ATOM 1034 NE ARG A 68 -3.091 2.079 11.629 1.00 54.12 N ATOM 1035 CZ ARG A 68 -3.749 3.236 11.499 1.00 12.33 C ATOM 1036 NH1 ARG A 68 -3.227 4.220 10.771 1.00 45.42 N ATOM 1037 NH2 ARG A 68 -4.920 3.405 12.097 1.00 41.43 N ATOM 0 H ARG A 68 -2.122 -0.399 6.989 1.00 4.31 H new ATOM 0 HA ARG A 68 -2.442 -2.023 9.411 1.00 64.12 H new ATOM 0 HB2 ARG A 68 -2.916 0.913 8.853 1.00 24.40 H new ATOM 0 HB3 ARG A 68 -3.764 0.048 10.119 1.00 24.40 H new ATOM 0 HG2 ARG A 68 -1.749 -0.318 11.347 1.00 32.45 H new ATOM 0 HG3 ARG A 68 -0.753 0.213 10.007 1.00 32.45 H new ATOM 0 HD2 ARG A 68 -1.002 1.980 11.706 1.00 65.44 H new ATOM 0 HD3 ARG A 68 -1.657 2.471 10.156 1.00 65.44 H new ATOM 0 HE ARG A 68 -3.512 1.352 12.208 1.00 54.12 H new ATOM 0 HH11 ARG A 68 -2.325 4.092 10.312 1.00 45.42 H new ATOM 0 HH12 ARG A 68 -3.729 5.102 10.672 1.00 45.42 H new ATOM 0 HH21 ARG A 68 -5.320 2.652 12.657 1.00 41.43 H new ATOM 0 HH22 ARG A 68 -5.421 4.288 11.997 1.00 41.43 H new ATOM 1051 N ILE A 69 -4.740 -2.463 8.441 1.00 21.30 N ATOM 1052 CA ILE A 69 -6.009 -2.695 7.783 1.00 35.31 C ATOM 1053 C ILE A 69 -7.063 -1.773 8.390 1.00 25.44 C ATOM 1054 O ILE A 69 -7.083 -1.555 9.615 1.00 20.03 O ATOM 1055 CB ILE A 69 -6.461 -4.173 7.853 1.00 44.14 C ATOM 1056 CG1 ILE A 69 -5.341 -5.087 7.346 1.00 3.35 C ATOM 1057 CG2 ILE A 69 -7.724 -4.377 7.019 1.00 20.53 C ATOM 1058 CD1 ILE A 69 -5.676 -6.558 7.374 1.00 25.12 C ATOM 0 H ILE A 69 -4.486 -3.135 9.165 1.00 21.30 H new ATOM 0 HA ILE A 69 -5.883 -2.470 6.724 1.00 35.31 H new ATOM 0 HB ILE A 69 -6.682 -4.426 8.890 1.00 44.14 H new ATOM 0 HG12 ILE A 69 -5.092 -4.803 6.324 1.00 3.35 H new ATOM 0 HG13 ILE A 69 -4.450 -4.918 7.950 1.00 3.35 H new ATOM 0 HG21 ILE A 69 -8.033 -5.421 7.076 1.00 20.53 H new ATOM 0 HG22 ILE A 69 -8.521 -3.741 7.404 1.00 20.53 H new ATOM 0 HG23 ILE A 69 -7.521 -4.115 5.981 1.00 20.53 H new ATOM 0 HD11 ILE A 69 -4.828 -7.131 6.999 1.00 25.12 H new ATOM 0 HD12 ILE A 69 -5.895 -6.862 8.398 1.00 25.12 H new ATOM 0 HD13 ILE A 69 -6.547 -6.745 6.746 1.00 25.12 H new ATOM 1070 N LYS A 70 -7.886 -1.216 7.533 1.00 62.34 N ATOM 1071 CA LYS A 70 -8.914 -0.266 7.910 1.00 4.54 C ATOM 1072 C LYS A 70 -9.963 -0.950 8.776 1.00 71.24 C ATOM 1073 O LYS A 70 -10.760 -1.752 8.239 1.00 37.80 O ATOM 1074 CB LYS A 70 -9.601 0.319 6.675 1.00 32.54 C ATOM 1075 CG LYS A 70 -10.333 1.622 6.966 1.00 42.45 C ATOM 1076 CD LYS A 70 -11.110 2.141 5.759 1.00 72.55 C ATOM 1077 CE LYS A 70 -12.322 1.269 5.461 1.00 74.13 C ATOM 1078 NZ LYS A 70 -13.068 1.715 4.264 1.00 10.10 N ATOM 1079 OXT LYS A 70 -10.018 -0.670 9.983 1.00 37.80 O ATOM 0 H LYS A 70 -7.862 -1.413 6.532 1.00 62.34 H new ATOM 0 HA LYS A 70 -8.435 0.540 8.467 1.00 4.54 H new ATOM 0 HB2 LYS A 70 -8.856 0.492 5.899 1.00 32.54 H new ATOM 0 HB3 LYS A 70 -10.309 -0.409 6.280 1.00 32.54 H new ATOM 0 HG2 LYS A 70 -11.021 1.470 7.798 1.00 42.45 H new ATOM 0 HG3 LYS A 70 -9.612 2.377 7.281 1.00 42.45 H new ATOM 0 HD2 LYS A 70 -11.434 3.165 5.946 1.00 72.55 H new ATOM 0 HD3 LYS A 70 -10.456 2.168 4.887 1.00 72.55 H new ATOM 0 HE2 LYS A 70 -11.996 0.239 5.318 1.00 74.13 H new ATOM 0 HE3 LYS A 70 -12.989 1.275 6.323 1.00 74.13 H new ATOM 0 HZ1 LYS A 70 -13.961 1.186 4.195 1.00 10.10 H new ATOM 0 HZ2 LYS A 70 -13.273 2.732 4.341 1.00 10.10 H new ATOM 0 HZ3 LYS A 70 -12.496 1.541 3.413 1.00 10.10 H new