USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 TYR OH : rot 50:sc= 0.617 USER MOD Single : A 9 SER OG : rot 180:sc= 0.23 USER MOD Single : A 10 ASN : amide:sc= 0.161 K(o=0.16,f=-3.9!) USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0.313 (180deg=0.186) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0.584 (180deg=0.548) USER MOD Single : A 21 MET CE :methyl -146:sc= -0.125 (180deg=-1.17) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0242) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 31 THR OG1 : rot 36:sc= 0.26 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 144:sc= -1.4 (180deg=-2.76!) USER MOD Single : A 41 TYR OH : rot -163:sc= 0.579 USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= 0.498 (180deg=0.0844) USER MOD Single : A 49 SER OG : rot -83:sc= 0.648 USER MOD Single : A 50 GLN : amide:sc= -0.0868 X(o=-0.087,f=-0.41) USER MOD Single : A 51 ASN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -142:sc= 0.7 (180deg=-0.444) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= 0.353 (180deg=0.0242) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -2.64 (180deg=-3.51!) USER MOD Single : A 72 GLN : amide:sc= 0.0208 X(o=0.021,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc=-0.00759 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0.561 (180deg=0.492) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 0.558 (180deg=0.556) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.032 (180deg=-0.241) USER MOD Single : A 97 SER OG : rot 26:sc= 0.579 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.219 -1.504 10.229 1.00 53.01 N ATOM 21 CA LEU A 2 -9.756 -2.201 9.008 1.00 33.13 C ATOM 22 C LEU A 2 -8.536 -1.474 8.395 1.00 63.34 C ATOM 23 O LEU A 2 -8.670 -0.377 7.858 1.00 21.31 O ATOM 24 CB LEU A 2 -10.923 -2.287 7.981 1.00 13.31 C ATOM 25 CG LEU A 2 -12.171 -3.117 8.420 1.00 24.01 C ATOM 26 CD1 LEU A 2 -13.313 -2.998 7.390 1.00 41.04 C ATOM 27 CD2 LEU A 2 -11.797 -4.593 8.675 1.00 35.23 C ATOM 0 HA LEU A 2 -9.444 -3.212 9.272 1.00 33.13 H new ATOM 0 HB2 LEU A 2 -11.250 -1.273 7.749 1.00 13.31 H new ATOM 0 HB3 LEU A 2 -10.535 -2.716 7.057 1.00 13.31 H new ATOM 0 HG LEU A 2 -12.532 -2.700 9.360 1.00 24.01 H new ATOM 0 HD11 LEU A 2 -14.167 -3.587 7.724 1.00 41.04 H new ATOM 0 HD12 LEU A 2 -13.608 -1.953 7.293 1.00 41.04 H new ATOM 0 HD13 LEU A 2 -12.972 -3.370 6.424 1.00 41.04 H new ATOM 0 HD21 LEU A 2 -12.686 -5.146 8.979 1.00 35.23 H new ATOM 0 HD22 LEU A 2 -11.393 -5.029 7.761 1.00 35.23 H new ATOM 0 HD23 LEU A 2 -11.048 -4.647 9.465 1.00 35.23 H new ATOM 39 N LEU A 3 -7.340 -2.077 8.538 1.00 14.01 N ATOM 40 CA LEU A 3 -6.067 -1.510 8.041 1.00 61.45 C ATOM 41 C LEU A 3 -5.374 -2.501 7.085 1.00 1.42 C ATOM 42 O LEU A 3 -5.010 -3.612 7.486 1.00 2.22 O ATOM 43 CB LEU A 3 -5.139 -1.169 9.242 1.00 21.52 C ATOM 44 CG LEU A 3 -5.690 -0.142 10.280 1.00 24.40 C ATOM 45 CD1 LEU A 3 -4.688 0.096 11.431 1.00 23.23 C ATOM 46 CD2 LEU A 3 -6.092 1.177 9.596 1.00 10.40 C ATOM 0 H LEU A 3 -7.227 -2.977 9.004 1.00 14.01 H new ATOM 0 HA LEU A 3 -6.278 -0.595 7.488 1.00 61.45 H new ATOM 0 HB2 LEU A 3 -4.908 -2.095 9.768 1.00 21.52 H new ATOM 0 HB3 LEU A 3 -4.199 -0.784 8.848 1.00 21.52 H new ATOM 0 HG LEU A 3 -6.589 -0.571 10.722 1.00 24.40 H new ATOM 0 HD11 LEU A 3 -5.106 0.817 12.134 1.00 23.23 H new ATOM 0 HD12 LEU A 3 -4.496 -0.845 11.947 1.00 23.23 H new ATOM 0 HD13 LEU A 3 -3.754 0.485 11.026 1.00 23.23 H new ATOM 0 HD21 LEU A 3 -6.472 1.873 10.343 1.00 10.40 H new ATOM 0 HD22 LEU A 3 -5.222 1.612 9.104 1.00 10.40 H new ATOM 0 HD23 LEU A 3 -6.867 0.981 8.855 1.00 10.40 H new ATOM 58 N TYR A 4 -5.215 -2.084 5.819 1.00 2.40 N ATOM 59 CA TYR A 4 -4.614 -2.898 4.743 1.00 75.51 C ATOM 60 C TYR A 4 -3.451 -2.136 4.109 1.00 53.54 C ATOM 61 O TYR A 4 -3.389 -0.915 4.198 1.00 50.23 O ATOM 62 CB TYR A 4 -5.694 -3.266 3.683 1.00 44.53 C ATOM 63 CG TYR A 4 -6.814 -4.131 4.275 1.00 43.43 C ATOM 64 CD1 TYR A 4 -7.923 -3.555 4.904 1.00 22.33 C ATOM 65 CD2 TYR A 4 -6.725 -5.519 4.268 1.00 13.02 C ATOM 66 CE1 TYR A 4 -8.893 -4.334 5.494 1.00 44.45 C ATOM 67 CE2 TYR A 4 -7.689 -6.300 4.873 1.00 25.15 C ATOM 68 CZ TYR A 4 -8.769 -5.704 5.479 1.00 15.12 C ATOM 69 OH TYR A 4 -9.712 -6.480 6.112 1.00 34.45 O ATOM 0 H TYR A 4 -5.504 -1.157 5.506 1.00 2.40 H new ATOM 0 HA TYR A 4 -4.227 -3.827 5.162 1.00 75.51 H new ATOM 0 HB2 TYR A 4 -6.122 -2.352 3.270 1.00 44.53 H new ATOM 0 HB3 TYR A 4 -5.223 -3.799 2.857 1.00 44.53 H new ATOM 0 HD1 TYR A 4 -8.020 -2.480 4.927 1.00 22.33 H new ATOM 0 HD2 TYR A 4 -5.887 -5.994 3.780 1.00 13.02 H new ATOM 0 HE1 TYR A 4 -9.747 -3.872 5.966 1.00 44.45 H new ATOM 0 HE2 TYR A 4 -7.595 -7.376 4.870 1.00 25.15 H new ATOM 0 HH TYR A 4 -10.608 -6.206 5.825 1.00 34.45 H new ATOM 79 N VAL A 5 -2.501 -2.878 3.516 1.00 71.40 N ATOM 80 CA VAL A 5 -1.305 -2.307 2.867 1.00 1.52 C ATOM 81 C VAL A 5 -1.151 -2.889 1.446 1.00 41.42 C ATOM 82 O VAL A 5 -1.097 -4.101 1.281 1.00 75.35 O ATOM 83 CB VAL A 5 -0.007 -2.598 3.722 1.00 72.54 C ATOM 84 CG1 VAL A 5 1.259 -2.052 3.031 1.00 34.12 C ATOM 85 CG2 VAL A 5 -0.129 -2.024 5.155 1.00 23.14 C ATOM 0 H VAL A 5 -2.540 -3.896 3.472 1.00 71.40 H new ATOM 0 HA VAL A 5 -1.431 -1.226 2.799 1.00 1.52 H new ATOM 0 HB VAL A 5 0.087 -3.681 3.798 1.00 72.54 H new ATOM 0 HG11 VAL A 5 2.132 -2.270 3.646 1.00 34.12 H new ATOM 0 HG12 VAL A 5 1.375 -2.526 2.056 1.00 34.12 H new ATOM 0 HG13 VAL A 5 1.166 -0.974 2.901 1.00 34.12 H new ATOM 0 HG21 VAL A 5 0.781 -2.243 5.713 1.00 23.14 H new ATOM 0 HG22 VAL A 5 -0.272 -0.945 5.104 1.00 23.14 H new ATOM 0 HG23 VAL A 5 -0.982 -2.480 5.658 1.00 23.14 H new ATOM 95 N LEU A 6 -1.114 -2.013 0.430 1.00 2.45 N ATOM 96 CA LEU A 6 -0.863 -2.387 -0.973 1.00 52.31 C ATOM 97 C LEU A 6 0.514 -1.854 -1.391 1.00 35.43 C ATOM 98 O LEU A 6 0.738 -0.651 -1.389 1.00 30.15 O ATOM 99 CB LEU A 6 -1.979 -1.805 -1.886 1.00 14.02 C ATOM 100 CG LEU A 6 -3.432 -2.279 -1.582 1.00 53.24 C ATOM 101 CD1 LEU A 6 -4.437 -1.757 -2.627 1.00 75.23 C ATOM 102 CD2 LEU A 6 -3.507 -3.803 -1.436 1.00 20.41 C ATOM 0 H LEU A 6 -1.259 -1.012 0.560 1.00 2.45 H new ATOM 0 HA LEU A 6 -0.873 -3.472 -1.076 1.00 52.31 H new ATOM 0 HB2 LEU A 6 -1.950 -0.718 -1.812 1.00 14.02 H new ATOM 0 HB3 LEU A 6 -1.744 -2.060 -2.919 1.00 14.02 H new ATOM 0 HG LEU A 6 -3.717 -1.846 -0.623 1.00 53.24 H new ATOM 0 HD11 LEU A 6 -5.438 -2.110 -2.378 1.00 75.23 H new ATOM 0 HD12 LEU A 6 -4.427 -0.667 -2.629 1.00 75.23 H new ATOM 0 HD13 LEU A 6 -4.158 -2.124 -3.615 1.00 75.23 H new ATOM 0 HD21 LEU A 6 -4.535 -4.098 -1.224 1.00 20.41 H new ATOM 0 HD22 LEU A 6 -3.178 -4.274 -2.362 1.00 20.41 H new ATOM 0 HD23 LEU A 6 -2.862 -4.122 -0.617 1.00 20.41 H new ATOM 114 N ILE A 7 1.447 -2.742 -1.740 1.00 20.00 N ATOM 115 CA ILE A 7 2.836 -2.343 -2.056 1.00 44.20 C ATOM 116 C ILE A 7 3.131 -2.518 -3.563 1.00 3.53 C ATOM 117 O ILE A 7 3.131 -3.635 -4.087 1.00 75.32 O ATOM 118 CB ILE A 7 3.863 -3.137 -1.162 1.00 30.41 C ATOM 119 CG1 ILE A 7 5.329 -2.699 -1.469 1.00 55.44 C ATOM 120 CG2 ILE A 7 3.685 -4.670 -1.291 1.00 41.45 C ATOM 121 CD1 ILE A 7 6.362 -3.323 -0.557 1.00 72.24 C ATOM 0 H ILE A 7 1.274 -3.745 -1.813 1.00 20.00 H new ATOM 0 HA ILE A 7 2.951 -1.284 -1.824 1.00 44.20 H new ATOM 0 HB ILE A 7 3.651 -2.885 -0.123 1.00 30.41 H new ATOM 0 HG12 ILE A 7 5.566 -2.959 -2.501 1.00 55.44 H new ATOM 0 HG13 ILE A 7 5.397 -1.614 -1.389 1.00 55.44 H new ATOM 0 HG21 ILE A 7 4.414 -5.176 -0.657 1.00 41.45 H new ATOM 0 HG22 ILE A 7 2.678 -4.947 -0.978 1.00 41.45 H new ATOM 0 HG23 ILE A 7 3.837 -4.968 -2.328 1.00 41.45 H new ATOM 0 HD11 ILE A 7 7.354 -2.968 -0.835 1.00 72.24 H new ATOM 0 HD12 ILE A 7 6.153 -3.043 0.475 1.00 72.24 H new ATOM 0 HD13 ILE A 7 6.324 -4.408 -0.653 1.00 72.24 H new ATOM 133 N ILE A 8 3.344 -1.395 -4.268 1.00 32.40 N ATOM 134 CA ILE A 8 3.696 -1.396 -5.697 1.00 43.34 C ATOM 135 C ILE A 8 5.226 -1.287 -5.846 1.00 54.35 C ATOM 136 O ILE A 8 5.799 -0.208 -5.640 1.00 61.32 O ATOM 137 CB ILE A 8 3.001 -0.209 -6.467 1.00 0.35 C ATOM 138 CG1 ILE A 8 1.486 -0.136 -6.102 1.00 23.33 C ATOM 139 CG2 ILE A 8 3.201 -0.355 -7.999 1.00 71.42 C ATOM 140 CD1 ILE A 8 0.712 0.959 -6.800 1.00 23.43 C ATOM 0 H ILE A 8 3.277 -0.461 -3.863 1.00 32.40 H new ATOM 0 HA ILE A 8 3.342 -2.330 -6.134 1.00 43.34 H new ATOM 0 HB ILE A 8 3.470 0.725 -6.158 1.00 0.35 H new ATOM 0 HG12 ILE A 8 1.024 -1.094 -6.339 1.00 23.33 H new ATOM 0 HG13 ILE A 8 1.394 0.004 -5.025 1.00 23.33 H new ATOM 0 HG21 ILE A 8 2.713 0.475 -8.510 1.00 71.42 H new ATOM 0 HG22 ILE A 8 4.266 -0.347 -8.229 1.00 71.42 H new ATOM 0 HG23 ILE A 8 2.764 -1.295 -8.335 1.00 71.42 H new ATOM 0 HD11 ILE A 8 -0.330 0.928 -6.481 1.00 23.43 H new ATOM 0 HD12 ILE A 8 1.141 1.928 -6.544 1.00 23.43 H new ATOM 0 HD13 ILE A 8 0.766 0.812 -7.879 1.00 23.43 H new ATOM 152 N SER A 9 5.870 -2.421 -6.166 1.00 22.41 N ATOM 153 CA SER A 9 7.312 -2.490 -6.451 1.00 33.24 C ATOM 154 C SER A 9 7.630 -3.789 -7.211 1.00 65.13 C ATOM 155 O SER A 9 6.838 -4.742 -7.195 1.00 35.21 O ATOM 156 CB SER A 9 8.138 -2.408 -5.134 1.00 0.44 C ATOM 157 OG SER A 9 9.539 -2.414 -5.382 1.00 51.32 O ATOM 0 H SER A 9 5.400 -3.324 -6.235 1.00 22.41 H new ATOM 0 HA SER A 9 7.589 -1.640 -7.074 1.00 33.24 H new ATOM 0 HB2 SER A 9 7.869 -1.500 -4.594 1.00 0.44 H new ATOM 0 HB3 SER A 9 7.880 -3.250 -4.491 1.00 0.44 H new ATOM 0 HG SER A 9 10.022 -2.360 -4.531 1.00 51.32 H new ATOM 163 N ASN A 10 8.793 -3.812 -7.880 1.00 41.31 N ATOM 164 CA ASN A 10 9.344 -5.026 -8.527 1.00 11.24 C ATOM 165 C ASN A 10 10.566 -5.542 -7.742 1.00 14.40 C ATOM 166 O ASN A 10 11.037 -6.663 -7.980 1.00 30.53 O ATOM 167 CB ASN A 10 9.722 -4.761 -10.017 1.00 30.25 C ATOM 168 CG ASN A 10 10.804 -3.689 -10.228 1.00 41.21 C ATOM 169 OD1 ASN A 10 10.865 -2.690 -9.512 1.00 63.32 O ATOM 170 ND2 ASN A 10 11.668 -3.883 -11.221 1.00 1.03 N ATOM 0 H ASN A 10 9.385 -2.989 -7.991 1.00 41.31 H new ATOM 0 HA ASN A 10 8.568 -5.791 -8.516 1.00 11.24 H new ATOM 0 HB2 ASN A 10 10.065 -5.695 -10.462 1.00 30.25 H new ATOM 0 HB3 ASN A 10 8.824 -4.462 -10.557 1.00 30.25 H new ATOM 0 HD21 ASN A 10 12.400 -3.196 -11.402 1.00 1.03 H new ATOM 0 HD22 ASN A 10 11.598 -4.719 -11.802 1.00 1.03 H new ATOM 177 N ASP A 11 11.056 -4.723 -6.788 1.00 31.42 N ATOM 178 CA ASP A 11 12.261 -5.033 -5.996 1.00 0.13 C ATOM 179 C ASP A 11 11.903 -5.956 -4.820 1.00 60.43 C ATOM 180 O ASP A 11 11.263 -5.521 -3.853 1.00 41.33 O ATOM 181 CB ASP A 11 12.923 -3.728 -5.482 1.00 74.34 C ATOM 182 CG ASP A 11 14.261 -3.981 -4.765 1.00 41.25 C ATOM 183 OD1 ASP A 11 15.291 -4.139 -5.459 1.00 32.21 O ATOM 184 OD2 ASP A 11 14.296 -4.029 -3.517 1.00 24.13 O ATOM 0 H ASP A 11 10.627 -3.830 -6.547 1.00 31.42 H new ATOM 0 HA ASP A 11 12.975 -5.550 -6.637 1.00 0.13 H new ATOM 0 HB2 ASP A 11 13.088 -3.054 -6.323 1.00 74.34 H new ATOM 0 HB3 ASP A 11 12.239 -3.224 -4.799 1.00 74.34 H new ATOM 189 N LYS A 12 12.367 -7.220 -4.913 1.00 24.14 N ATOM 190 CA LYS A 12 12.020 -8.312 -3.967 1.00 53.53 C ATOM 191 C LYS A 12 12.435 -7.974 -2.526 1.00 21.20 C ATOM 192 O LYS A 12 11.793 -8.420 -1.569 1.00 24.20 O ATOM 193 CB LYS A 12 12.671 -9.680 -4.373 1.00 23.43 C ATOM 194 CG LYS A 12 12.157 -10.297 -5.703 1.00 73.44 C ATOM 195 CD LYS A 12 12.766 -9.646 -6.968 1.00 13.21 C ATOM 196 CE LYS A 12 12.110 -10.144 -8.265 1.00 34.32 C ATOM 197 NZ LYS A 12 10.687 -9.718 -8.357 1.00 22.24 N ATOM 0 H LYS A 12 13.001 -7.519 -5.654 1.00 24.14 H new ATOM 0 HA LYS A 12 10.936 -8.410 -4.016 1.00 53.53 H new ATOM 0 HB2 LYS A 12 13.749 -9.541 -4.450 1.00 23.43 H new ATOM 0 HB3 LYS A 12 12.499 -10.397 -3.570 1.00 23.43 H new ATOM 0 HG2 LYS A 12 12.383 -11.363 -5.710 1.00 73.44 H new ATOM 0 HG3 LYS A 12 11.072 -10.201 -5.742 1.00 73.44 H new ATOM 0 HD2 LYS A 12 12.657 -8.563 -6.903 1.00 13.21 H new ATOM 0 HD3 LYS A 12 13.835 -9.857 -7.002 1.00 13.21 H new ATOM 0 HE2 LYS A 12 12.662 -9.760 -9.123 1.00 34.32 H new ATOM 0 HE3 LYS A 12 12.169 -11.232 -8.309 1.00 34.32 H new ATOM 0 HZ1 LYS A 12 10.330 -9.906 -9.315 1.00 22.24 H new ATOM 0 HZ2 LYS A 12 10.120 -10.249 -7.666 1.00 22.24 H new ATOM 0 HZ3 LYS A 12 10.615 -8.700 -8.154 1.00 22.24 H new ATOM 211 N LYS A 13 13.520 -7.191 -2.392 1.00 11.45 N ATOM 212 CA LYS A 13 14.101 -6.821 -1.092 1.00 52.43 C ATOM 213 C LYS A 13 13.136 -5.883 -0.356 1.00 11.24 C ATOM 214 O LYS A 13 12.733 -6.172 0.767 1.00 44.22 O ATOM 215 CB LYS A 13 15.514 -6.164 -1.268 1.00 61.13 C ATOM 216 CG LYS A 13 16.651 -7.148 -1.668 1.00 34.54 C ATOM 217 CD LYS A 13 16.507 -7.759 -3.083 1.00 32.12 C ATOM 218 CE LYS A 13 17.515 -8.894 -3.343 1.00 21.34 C ATOM 219 NZ LYS A 13 18.929 -8.440 -3.258 1.00 1.14 N ATOM 0 H LYS A 13 14.020 -6.796 -3.188 1.00 11.45 H new ATOM 0 HA LYS A 13 14.243 -7.722 -0.495 1.00 52.43 H new ATOM 0 HB2 LYS A 13 15.444 -5.385 -2.027 1.00 61.13 H new ATOM 0 HB3 LYS A 13 15.789 -5.674 -0.334 1.00 61.13 H new ATOM 0 HG2 LYS A 13 17.605 -6.624 -1.608 1.00 34.54 H new ATOM 0 HG3 LYS A 13 16.686 -7.958 -0.939 1.00 34.54 H new ATOM 0 HD2 LYS A 13 15.494 -8.142 -3.208 1.00 32.12 H new ATOM 0 HD3 LYS A 13 16.646 -6.976 -3.829 1.00 32.12 H new ATOM 0 HE2 LYS A 13 17.351 -9.693 -2.620 1.00 21.34 H new ATOM 0 HE3 LYS A 13 17.333 -9.316 -4.331 1.00 21.34 H new ATOM 0 HZ1 LYS A 13 19.563 -9.244 -3.441 1.00 1.14 H new ATOM 0 HZ2 LYS A 13 19.098 -7.697 -3.966 1.00 1.14 H new ATOM 0 HZ3 LYS A 13 19.116 -8.062 -2.307 1.00 1.14 H new ATOM 233 N LEU A 14 12.707 -4.808 -1.046 1.00 64.22 N ATOM 234 CA LEU A 14 11.787 -3.803 -0.487 1.00 50.20 C ATOM 235 C LEU A 14 10.435 -4.444 -0.125 1.00 13.20 C ATOM 236 O LEU A 14 9.849 -4.119 0.911 1.00 44.01 O ATOM 237 CB LEU A 14 11.624 -2.614 -1.486 1.00 4.23 C ATOM 238 CG LEU A 14 10.880 -1.322 -0.949 1.00 15.53 C ATOM 239 CD1 LEU A 14 11.489 -0.031 -1.527 1.00 2.24 C ATOM 240 CD2 LEU A 14 9.362 -1.357 -1.230 1.00 23.51 C ATOM 0 H LEU A 14 12.990 -4.614 -2.007 1.00 64.22 H new ATOM 0 HA LEU A 14 12.208 -3.406 0.436 1.00 50.20 H new ATOM 0 HB2 LEU A 14 12.617 -2.317 -1.825 1.00 4.23 H new ATOM 0 HB3 LEU A 14 11.084 -2.977 -2.360 1.00 4.23 H new ATOM 0 HG LEU A 14 11.022 -1.322 0.132 1.00 15.53 H new ATOM 0 HD11 LEU A 14 10.951 0.832 -1.135 1.00 2.24 H new ATOM 0 HD12 LEU A 14 12.539 0.035 -1.242 1.00 2.24 H new ATOM 0 HD13 LEU A 14 11.408 -0.046 -2.614 1.00 2.24 H new ATOM 0 HD21 LEU A 14 8.899 -0.449 -0.842 1.00 23.51 H new ATOM 0 HD22 LEU A 14 9.192 -1.420 -2.305 1.00 23.51 H new ATOM 0 HD23 LEU A 14 8.921 -2.226 -0.741 1.00 23.51 H new ATOM 252 N ILE A 15 9.986 -5.388 -0.981 1.00 33.33 N ATOM 253 CA ILE A 15 8.715 -6.115 -0.808 1.00 2.25 C ATOM 254 C ILE A 15 8.718 -6.975 0.481 1.00 50.32 C ATOM 255 O ILE A 15 7.812 -6.842 1.312 1.00 1.45 O ATOM 256 CB ILE A 15 8.400 -6.988 -2.083 1.00 71.24 C ATOM 257 CG1 ILE A 15 8.211 -6.064 -3.333 1.00 32.54 C ATOM 258 CG2 ILE A 15 7.160 -7.894 -1.875 1.00 22.45 C ATOM 259 CD1 ILE A 15 8.085 -6.790 -4.663 1.00 50.55 C ATOM 0 H ILE A 15 10.501 -5.667 -1.816 1.00 33.33 H new ATOM 0 HA ILE A 15 7.920 -5.378 -0.695 1.00 2.25 H new ATOM 0 HB ILE A 15 9.251 -7.648 -2.253 1.00 71.24 H new ATOM 0 HG12 ILE A 15 7.319 -5.456 -3.184 1.00 32.54 H new ATOM 0 HG13 ILE A 15 9.057 -5.380 -3.390 1.00 32.54 H new ATOM 0 HG21 ILE A 15 6.980 -8.477 -2.778 1.00 22.45 H new ATOM 0 HG22 ILE A 15 7.338 -8.568 -1.037 1.00 22.45 H new ATOM 0 HG23 ILE A 15 6.288 -7.275 -1.663 1.00 22.45 H new ATOM 0 HD11 ILE A 15 7.958 -6.062 -5.464 1.00 50.55 H new ATOM 0 HD12 ILE A 15 8.986 -7.376 -4.845 1.00 50.55 H new ATOM 0 HD13 ILE A 15 7.221 -7.453 -4.635 1.00 50.55 H new ATOM 271 N GLU A 16 9.757 -7.825 0.642 1.00 12.41 N ATOM 272 CA GLU A 16 9.856 -8.757 1.789 1.00 25.30 C ATOM 273 C GLU A 16 10.074 -8.020 3.122 1.00 21.34 C ATOM 274 O GLU A 16 9.441 -8.371 4.121 1.00 32.51 O ATOM 275 CB GLU A 16 10.953 -9.829 1.571 1.00 71.30 C ATOM 276 CG GLU A 16 10.658 -10.800 0.411 1.00 52.44 C ATOM 277 CD GLU A 16 11.587 -12.022 0.408 1.00 10.43 C ATOM 278 OE1 GLU A 16 11.332 -12.966 1.187 1.00 43.32 O ATOM 279 OE2 GLU A 16 12.574 -12.050 -0.357 1.00 42.32 O ATOM 0 H GLU A 16 10.540 -7.885 -0.009 1.00 12.41 H new ATOM 0 HA GLU A 16 8.895 -9.268 1.849 1.00 25.30 H new ATOM 0 HB2 GLU A 16 11.903 -9.329 1.380 1.00 71.30 H new ATOM 0 HB3 GLU A 16 11.074 -10.403 2.490 1.00 71.30 H new ATOM 0 HG2 GLU A 16 9.623 -11.136 0.479 1.00 52.44 H new ATOM 0 HG3 GLU A 16 10.760 -10.270 -0.536 1.00 52.44 H new ATOM 286 N GLU A 17 10.954 -6.999 3.128 1.00 13.15 N ATOM 287 CA GLU A 17 11.284 -6.236 4.355 1.00 32.22 C ATOM 288 C GLU A 17 10.065 -5.442 4.859 1.00 75.11 C ATOM 289 O GLU A 17 9.809 -5.389 6.072 1.00 33.32 O ATOM 290 CB GLU A 17 12.484 -5.284 4.113 1.00 74.41 C ATOM 291 CG GLU A 17 13.790 -5.981 3.678 1.00 65.25 C ATOM 292 CD GLU A 17 14.196 -7.168 4.572 1.00 44.41 C ATOM 293 OE1 GLU A 17 14.687 -6.947 5.696 1.00 70.02 O ATOM 294 OE2 GLU A 17 14.031 -8.330 4.153 1.00 13.13 O ATOM 0 H GLU A 17 11.452 -6.681 2.296 1.00 13.15 H new ATOM 0 HA GLU A 17 11.566 -6.956 5.124 1.00 32.22 H new ATOM 0 HB2 GLU A 17 12.205 -4.558 3.349 1.00 74.41 H new ATOM 0 HB3 GLU A 17 12.676 -4.725 5.029 1.00 74.41 H new ATOM 0 HG2 GLU A 17 13.677 -6.334 2.653 1.00 65.25 H new ATOM 0 HG3 GLU A 17 14.597 -5.248 3.676 1.00 65.25 H new ATOM 301 N ALA A 18 9.321 -4.834 3.917 1.00 31.21 N ATOM 302 CA ALA A 18 8.086 -4.097 4.225 1.00 3.21 C ATOM 303 C ALA A 18 6.996 -5.056 4.745 1.00 1.11 C ATOM 304 O ALA A 18 6.297 -4.746 5.714 1.00 12.24 O ATOM 305 CB ALA A 18 7.600 -3.337 2.984 1.00 60.30 C ATOM 0 H ALA A 18 9.559 -4.841 2.925 1.00 31.21 H new ATOM 0 HA ALA A 18 8.298 -3.373 5.011 1.00 3.21 H new ATOM 0 HB1 ALA A 18 6.685 -2.795 3.224 1.00 60.30 H new ATOM 0 HB2 ALA A 18 8.367 -2.631 2.666 1.00 60.30 H new ATOM 0 HB3 ALA A 18 7.402 -4.044 2.179 1.00 60.30 H new ATOM 311 N ARG A 19 6.895 -6.230 4.094 1.00 20.05 N ATOM 312 CA ARG A 19 5.900 -7.270 4.429 1.00 44.21 C ATOM 313 C ARG A 19 6.104 -7.801 5.864 1.00 4.31 C ATOM 314 O ARG A 19 5.133 -8.132 6.550 1.00 45.11 O ATOM 315 CB ARG A 19 5.974 -8.433 3.407 1.00 43.34 C ATOM 316 CG ARG A 19 4.743 -9.360 3.401 1.00 64.55 C ATOM 317 CD ARG A 19 4.942 -10.599 2.512 1.00 53.21 C ATOM 318 NE ARG A 19 6.020 -11.459 3.022 1.00 50.23 N ATOM 319 CZ ARG A 19 5.915 -12.277 4.086 1.00 1.11 C ATOM 320 NH1 ARG A 19 4.779 -12.373 4.770 1.00 15.10 N ATOM 321 NH2 ARG A 19 6.967 -12.974 4.466 1.00 34.33 N ATOM 0 H ARG A 19 7.504 -6.486 3.317 1.00 20.05 H new ATOM 0 HA ARG A 19 4.910 -6.817 4.378 1.00 44.21 H new ATOM 0 HB2 ARG A 19 6.102 -8.015 2.409 1.00 43.34 H new ATOM 0 HB3 ARG A 19 6.861 -9.030 3.619 1.00 43.34 H new ATOM 0 HG2 ARG A 19 4.528 -9.679 4.421 1.00 64.55 H new ATOM 0 HG3 ARG A 19 3.874 -8.802 3.052 1.00 64.55 H new ATOM 0 HD2 ARG A 19 4.013 -11.167 2.464 1.00 53.21 H new ATOM 0 HD3 ARG A 19 5.176 -10.285 1.495 1.00 53.21 H new ATOM 0 HE ARG A 19 6.915 -11.434 2.533 1.00 50.23 H new ATOM 0 HH11 ARG A 19 3.968 -11.821 4.491 1.00 15.10 H new ATOM 0 HH12 ARG A 19 4.719 -12.998 5.573 1.00 15.10 H new ATOM 0 HH21 ARG A 19 7.846 -12.890 3.956 1.00 34.33 H new ATOM 0 HH22 ARG A 19 6.902 -13.598 5.270 1.00 34.33 H new ATOM 335 N LYS A 20 7.385 -7.854 6.294 1.00 63.32 N ATOM 336 CA LYS A 20 7.775 -8.232 7.670 1.00 31.43 C ATOM 337 C LYS A 20 7.146 -7.270 8.692 1.00 44.10 C ATOM 338 O LYS A 20 6.568 -7.705 9.687 1.00 64.24 O ATOM 339 CB LYS A 20 9.321 -8.220 7.831 1.00 75.31 C ATOM 340 CG LYS A 20 10.056 -9.347 7.080 1.00 44.04 C ATOM 341 CD LYS A 20 11.589 -9.259 7.248 1.00 33.32 C ATOM 342 CE LYS A 20 12.339 -10.358 6.487 1.00 33.13 C ATOM 343 NZ LYS A 20 12.109 -10.283 5.019 1.00 51.21 N ATOM 0 H LYS A 20 8.180 -7.635 5.693 1.00 63.32 H new ATOM 0 HA LYS A 20 7.409 -9.242 7.854 1.00 31.43 H new ATOM 0 HB2 LYS A 20 9.702 -7.260 7.481 1.00 75.31 H new ATOM 0 HB3 LYS A 20 9.563 -8.291 8.891 1.00 75.31 H new ATOM 0 HG2 LYS A 20 9.707 -10.313 7.446 1.00 44.04 H new ATOM 0 HG3 LYS A 20 9.805 -9.298 6.020 1.00 44.04 H new ATOM 0 HD2 LYS A 20 11.932 -8.285 6.900 1.00 33.32 H new ATOM 0 HD3 LYS A 20 11.837 -9.324 8.307 1.00 33.32 H new ATOM 0 HE2 LYS A 20 13.407 -10.274 6.690 1.00 33.13 H new ATOM 0 HE3 LYS A 20 12.020 -11.334 6.854 1.00 33.13 H new ATOM 0 HZ1 LYS A 20 12.551 -11.103 4.556 1.00 51.21 H new ATOM 0 HZ2 LYS A 20 11.087 -10.287 4.827 1.00 51.21 H new ATOM 0 HZ3 LYS A 20 12.528 -9.407 4.646 1.00 51.21 H new ATOM 357 N MET A 21 7.266 -5.959 8.410 1.00 51.14 N ATOM 358 CA MET A 21 6.728 -4.891 9.277 1.00 71.41 C ATOM 359 C MET A 21 5.200 -4.855 9.263 1.00 34.53 C ATOM 360 O MET A 21 4.588 -4.425 10.243 1.00 34.43 O ATOM 361 CB MET A 21 7.312 -3.504 8.889 1.00 52.23 C ATOM 362 CG MET A 21 8.639 -3.189 9.583 1.00 2.34 C ATOM 363 SD MET A 21 8.497 -3.128 11.384 1.00 23.52 S ATOM 364 CE MET A 21 7.252 -1.859 11.613 1.00 33.14 C ATOM 0 H MET A 21 7.738 -5.610 7.576 1.00 51.14 H new ATOM 0 HA MET A 21 7.041 -5.123 10.295 1.00 71.41 H new ATOM 0 HB2 MET A 21 7.457 -3.468 7.809 1.00 52.23 H new ATOM 0 HB3 MET A 21 6.587 -2.730 9.139 1.00 52.23 H new ATOM 0 HG2 MET A 21 9.375 -3.944 9.307 1.00 2.34 H new ATOM 0 HG3 MET A 21 9.014 -2.232 9.221 1.00 2.34 H new ATOM 0 HE1 MET A 21 7.467 -1.298 12.523 1.00 33.14 H new ATOM 0 HE2 MET A 21 7.261 -1.182 10.759 1.00 33.14 H new ATOM 0 HE3 MET A 21 6.270 -2.324 11.697 1.00 33.14 H new ATOM 374 N ALA A 22 4.597 -5.255 8.133 1.00 40.53 N ATOM 375 CA ALA A 22 3.145 -5.436 8.037 1.00 45.02 C ATOM 376 C ALA A 22 2.669 -6.523 9.020 1.00 0.24 C ATOM 377 O ALA A 22 1.671 -6.343 9.703 1.00 45.45 O ATOM 378 CB ALA A 22 2.738 -5.777 6.600 1.00 74.15 C ATOM 0 H ALA A 22 5.099 -5.460 7.269 1.00 40.53 H new ATOM 0 HA ALA A 22 2.661 -4.499 8.310 1.00 45.02 H new ATOM 0 HB1 ALA A 22 1.657 -5.908 6.549 1.00 74.15 H new ATOM 0 HB2 ALA A 22 3.037 -4.967 5.935 1.00 74.15 H new ATOM 0 HB3 ALA A 22 3.230 -6.700 6.292 1.00 74.15 H new ATOM 384 N GLU A 23 3.427 -7.632 9.100 1.00 14.24 N ATOM 385 CA GLU A 23 3.132 -8.752 10.025 1.00 45.13 C ATOM 386 C GLU A 23 3.390 -8.356 11.493 1.00 60.32 C ATOM 387 O GLU A 23 2.686 -8.816 12.402 1.00 12.33 O ATOM 388 CB GLU A 23 3.967 -9.990 9.625 1.00 64.24 C ATOM 389 CG GLU A 23 3.653 -10.506 8.209 1.00 71.34 C ATOM 390 CD GLU A 23 4.549 -11.670 7.790 1.00 54.23 C ATOM 391 OE1 GLU A 23 5.695 -11.421 7.357 1.00 45.15 O ATOM 392 OE2 GLU A 23 4.119 -12.845 7.893 1.00 72.34 O ATOM 0 H GLU A 23 4.259 -7.781 8.529 1.00 14.24 H new ATOM 0 HA GLU A 23 2.073 -8.999 9.944 1.00 45.13 H new ATOM 0 HB2 GLU A 23 5.026 -9.740 9.686 1.00 64.24 H new ATOM 0 HB3 GLU A 23 3.786 -10.789 10.344 1.00 64.24 H new ATOM 0 HG2 GLU A 23 2.611 -10.822 8.165 1.00 71.34 H new ATOM 0 HG3 GLU A 23 3.769 -9.690 7.496 1.00 71.34 H new ATOM 399 N LYS A 24 4.399 -7.489 11.702 1.00 65.50 N ATOM 400 CA LYS A 24 4.737 -6.932 13.028 1.00 2.43 C ATOM 401 C LYS A 24 3.638 -5.964 13.516 1.00 32.22 C ATOM 402 O LYS A 24 3.278 -5.957 14.698 1.00 51.12 O ATOM 403 CB LYS A 24 6.122 -6.226 12.977 1.00 73.23 C ATOM 404 CG LYS A 24 7.322 -7.196 12.819 1.00 0.44 C ATOM 405 CD LYS A 24 8.676 -6.473 12.630 1.00 0.41 C ATOM 406 CE LYS A 24 8.970 -5.418 13.718 1.00 30.42 C ATOM 407 NZ LYS A 24 8.844 -5.970 15.094 1.00 35.43 N ATOM 0 H LYS A 24 5.006 -7.153 10.954 1.00 65.50 H new ATOM 0 HA LYS A 24 4.796 -7.752 13.744 1.00 2.43 H new ATOM 0 HB2 LYS A 24 6.128 -5.520 12.147 1.00 73.23 H new ATOM 0 HB3 LYS A 24 6.256 -5.645 13.890 1.00 73.23 H new ATOM 0 HG2 LYS A 24 7.380 -7.836 13.699 1.00 0.44 H new ATOM 0 HG3 LYS A 24 7.143 -7.847 11.963 1.00 0.44 H new ATOM 0 HD2 LYS A 24 9.476 -7.213 12.627 1.00 0.41 H new ATOM 0 HD3 LYS A 24 8.687 -5.989 11.654 1.00 0.41 H new ATOM 0 HE2 LYS A 24 9.978 -5.027 13.578 1.00 30.42 H new ATOM 0 HE3 LYS A 24 8.283 -4.579 13.602 1.00 30.42 H new ATOM 0 HZ1 LYS A 24 9.165 -5.260 15.783 1.00 35.43 H new ATOM 0 HZ2 LYS A 24 7.850 -6.211 15.282 1.00 35.43 H new ATOM 0 HZ3 LYS A 24 9.429 -6.825 15.180 1.00 35.43 H new ATOM 421 N ALA A 25 3.095 -5.167 12.585 1.00 63.20 N ATOM 422 CA ALA A 25 2.023 -4.196 12.874 1.00 74.35 C ATOM 423 C ALA A 25 0.621 -4.822 12.690 1.00 34.44 C ATOM 424 O ALA A 25 -0.390 -4.127 12.855 1.00 1.31 O ATOM 425 CB ALA A 25 2.204 -2.952 11.986 1.00 61.22 C ATOM 0 H ALA A 25 3.385 -5.175 11.607 1.00 63.20 H new ATOM 0 HA ALA A 25 2.096 -3.897 13.920 1.00 74.35 H new ATOM 0 HB1 ALA A 25 1.412 -2.234 12.199 1.00 61.22 H new ATOM 0 HB2 ALA A 25 3.172 -2.496 12.192 1.00 61.22 H new ATOM 0 HB3 ALA A 25 2.156 -3.244 10.937 1.00 61.22 H new ATOM 431 N ASN A 26 0.588 -6.136 12.330 1.00 13.04 N ATOM 432 CA ASN A 26 -0.655 -6.948 12.151 1.00 2.05 C ATOM 433 C ASN A 26 -1.502 -6.484 10.948 1.00 10.20 C ATOM 434 O ASN A 26 -2.641 -6.923 10.787 1.00 54.23 O ATOM 435 CB ASN A 26 -1.517 -6.980 13.454 1.00 31.51 C ATOM 436 CG ASN A 26 -0.773 -7.535 14.675 1.00 31.21 C ATOM 437 OD1 ASN A 26 0.139 -8.360 14.558 1.00 62.02 O ATOM 438 ND2 ASN A 26 -1.173 -7.105 15.863 1.00 2.44 N ATOM 0 H ASN A 26 1.438 -6.672 12.153 1.00 13.04 H new ATOM 0 HA ASN A 26 -0.323 -7.964 11.937 1.00 2.05 H new ATOM 0 HB2 ASN A 26 -1.859 -5.969 13.677 1.00 31.51 H new ATOM 0 HB3 ASN A 26 -2.406 -7.585 13.276 1.00 31.51 H new ATOM 0 HD21 ASN A 26 -0.725 -7.456 16.710 1.00 2.44 H new ATOM 0 HD22 ASN A 26 -1.929 -6.423 15.931 1.00 2.44 H new ATOM 445 N LEU A 27 -0.925 -5.630 10.092 1.00 63.21 N ATOM 446 CA LEU A 27 -1.599 -5.093 8.895 1.00 50.54 C ATOM 447 C LEU A 27 -1.603 -6.150 7.774 1.00 52.25 C ATOM 448 O LEU A 27 -0.582 -6.806 7.534 1.00 21.53 O ATOM 449 CB LEU A 27 -0.874 -3.804 8.421 1.00 70.50 C ATOM 450 CG LEU A 27 -0.595 -2.735 9.526 1.00 11.22 C ATOM 451 CD1 LEU A 27 0.152 -1.516 8.961 1.00 12.25 C ATOM 452 CD2 LEU A 27 -1.881 -2.308 10.258 1.00 43.40 C ATOM 0 H LEU A 27 0.029 -5.288 10.209 1.00 63.21 H new ATOM 0 HA LEU A 27 -2.631 -4.846 9.143 1.00 50.54 H new ATOM 0 HB2 LEU A 27 0.076 -4.089 7.970 1.00 70.50 H new ATOM 0 HB3 LEU A 27 -1.473 -3.341 7.637 1.00 70.50 H new ATOM 0 HG LEU A 27 0.053 -3.209 10.263 1.00 11.22 H new ATOM 0 HD11 LEU A 27 0.328 -0.795 9.759 1.00 12.25 H new ATOM 0 HD12 LEU A 27 1.107 -1.836 8.544 1.00 12.25 H new ATOM 0 HD13 LEU A 27 -0.448 -1.052 8.179 1.00 12.25 H new ATOM 0 HD21 LEU A 27 -1.638 -1.564 11.017 1.00 43.40 H new ATOM 0 HD22 LEU A 27 -2.582 -1.880 9.542 1.00 43.40 H new ATOM 0 HD23 LEU A 27 -2.334 -3.177 10.734 1.00 43.40 H new ATOM 464 N GLU A 28 -2.742 -6.298 7.092 1.00 52.51 N ATOM 465 CA GLU A 28 -2.913 -7.303 6.030 1.00 24.43 C ATOM 466 C GLU A 28 -2.370 -6.706 4.717 1.00 35.53 C ATOM 467 O GLU A 28 -2.893 -5.709 4.220 1.00 2.43 O ATOM 468 CB GLU A 28 -4.415 -7.703 5.936 1.00 33.44 C ATOM 469 CG GLU A 28 -4.728 -9.021 5.181 1.00 41.21 C ATOM 470 CD GLU A 28 -4.512 -8.962 3.655 1.00 74.14 C ATOM 471 OE1 GLU A 28 -5.321 -8.310 2.965 1.00 0.41 O ATOM 472 OE2 GLU A 28 -3.547 -9.573 3.138 1.00 31.23 O ATOM 0 H GLU A 28 -3.572 -5.728 7.257 1.00 52.51 H new ATOM 0 HA GLU A 28 -2.356 -8.215 6.244 1.00 24.43 H new ATOM 0 HB2 GLU A 28 -4.811 -7.786 6.948 1.00 33.44 H new ATOM 0 HB3 GLU A 28 -4.955 -6.892 5.448 1.00 33.44 H new ATOM 0 HG2 GLU A 28 -4.104 -9.815 5.591 1.00 41.21 H new ATOM 0 HG3 GLU A 28 -5.764 -9.297 5.376 1.00 41.21 H new ATOM 479 N LEU A 29 -1.321 -7.332 4.162 1.00 45.03 N ATOM 480 CA LEU A 29 -0.574 -6.794 3.011 1.00 3.23 C ATOM 481 C LEU A 29 -0.828 -7.638 1.754 1.00 34.20 C ATOM 482 O LEU A 29 -0.796 -8.872 1.798 1.00 72.52 O ATOM 483 CB LEU A 29 0.949 -6.702 3.347 1.00 53.21 C ATOM 484 CG LEU A 29 1.889 -6.056 2.242 1.00 2.14 C ATOM 485 CD1 LEU A 29 3.067 -5.292 2.873 1.00 21.31 C ATOM 486 CD2 LEU A 29 2.424 -7.113 1.246 1.00 71.34 C ATOM 0 H LEU A 29 -0.965 -8.227 4.498 1.00 45.03 H new ATOM 0 HA LEU A 29 -0.931 -5.785 2.802 1.00 3.23 H new ATOM 0 HB2 LEU A 29 1.060 -6.126 4.266 1.00 53.21 H new ATOM 0 HB3 LEU A 29 1.312 -7.708 3.556 1.00 53.21 H new ATOM 0 HG LEU A 29 1.270 -5.348 1.691 1.00 2.14 H new ATOM 0 HD11 LEU A 29 3.687 -4.864 2.085 1.00 21.31 H new ATOM 0 HD12 LEU A 29 2.684 -4.493 3.507 1.00 21.31 H new ATOM 0 HD13 LEU A 29 3.665 -5.977 3.474 1.00 21.31 H new ATOM 0 HD21 LEU A 29 3.062 -6.627 0.508 1.00 71.34 H new ATOM 0 HD22 LEU A 29 3.001 -7.863 1.787 1.00 71.34 H new ATOM 0 HD23 LEU A 29 1.586 -7.594 0.741 1.00 71.34 H new ATOM 498 N ARG A 30 -1.051 -6.944 0.625 1.00 14.32 N ATOM 499 CA ARG A 30 -1.183 -7.535 -0.708 1.00 53.44 C ATOM 500 C ARG A 30 -0.099 -6.930 -1.613 1.00 34.11 C ATOM 501 O ARG A 30 0.034 -5.696 -1.710 1.00 72.13 O ATOM 502 CB ARG A 30 -2.592 -7.262 -1.292 1.00 50.44 C ATOM 503 CG ARG A 30 -3.762 -7.836 -0.468 1.00 50.44 C ATOM 504 CD ARG A 30 -3.758 -9.375 -0.427 1.00 0.04 C ATOM 505 NE ARG A 30 -4.873 -9.902 0.376 1.00 10.55 N ATOM 506 CZ ARG A 30 -5.701 -10.889 0.008 1.00 73.25 C ATOM 507 NH1 ARG A 30 -5.568 -11.487 -1.175 1.00 12.04 N ATOM 508 NH2 ARG A 30 -6.670 -11.277 0.830 1.00 74.40 N ATOM 0 H ARG A 30 -1.146 -5.928 0.620 1.00 14.32 H new ATOM 0 HA ARG A 30 -1.057 -8.616 -0.646 1.00 53.44 H new ATOM 0 HB2 ARG A 30 -2.727 -6.184 -1.385 1.00 50.44 H new ATOM 0 HB3 ARG A 30 -2.638 -7.677 -2.299 1.00 50.44 H new ATOM 0 HG2 ARG A 30 -3.709 -7.449 0.550 1.00 50.44 H new ATOM 0 HG3 ARG A 30 -4.705 -7.490 -0.892 1.00 50.44 H new ATOM 0 HD2 ARG A 30 -3.824 -9.766 -1.442 1.00 0.04 H new ATOM 0 HD3 ARG A 30 -2.813 -9.725 -0.012 1.00 0.04 H new ATOM 0 HE ARG A 30 -5.029 -9.480 1.291 1.00 10.55 H new ATOM 0 HH11 ARG A 30 -4.828 -11.195 -1.814 1.00 12.04 H new ATOM 0 HH12 ARG A 30 -6.206 -12.237 -1.442 1.00 12.04 H new ATOM 0 HH21 ARG A 30 -6.781 -10.824 1.737 1.00 74.40 H new ATOM 0 HH22 ARG A 30 -7.303 -12.028 0.554 1.00 74.40 H new ATOM 522 N THR A 31 0.687 -7.803 -2.253 1.00 1.13 N ATOM 523 CA THR A 31 1.778 -7.410 -3.154 1.00 64.22 C ATOM 524 C THR A 31 1.203 -7.043 -4.532 1.00 64.42 C ATOM 525 O THR A 31 0.588 -7.883 -5.191 1.00 2.21 O ATOM 526 CB THR A 31 2.830 -8.558 -3.274 1.00 62.53 C ATOM 527 OG1 THR A 31 2.181 -9.776 -3.678 1.00 64.44 O ATOM 528 CG2 THR A 31 3.560 -8.794 -1.937 1.00 72.44 C ATOM 0 H THR A 31 0.583 -8.813 -2.159 1.00 1.13 H new ATOM 0 HA THR A 31 2.285 -6.537 -2.743 1.00 64.22 H new ATOM 0 HB THR A 31 3.564 -8.259 -4.022 1.00 62.53 H new ATOM 0 HG1 THR A 31 1.451 -9.568 -4.298 1.00 64.44 H new ATOM 0 HG21 THR A 31 4.285 -9.599 -2.055 1.00 72.44 H new ATOM 0 HG22 THR A 31 4.077 -7.882 -1.639 1.00 72.44 H new ATOM 0 HG23 THR A 31 2.835 -9.068 -1.170 1.00 72.44 H new ATOM 536 N VAL A 32 1.356 -5.762 -4.914 1.00 62.32 N ATOM 537 CA VAL A 32 0.820 -5.207 -6.168 1.00 62.13 C ATOM 538 C VAL A 32 1.910 -5.186 -7.259 1.00 24.15 C ATOM 539 O VAL A 32 2.977 -4.589 -7.060 1.00 64.24 O ATOM 540 CB VAL A 32 0.287 -3.746 -5.936 1.00 62.22 C ATOM 541 CG1 VAL A 32 -0.369 -3.175 -7.207 1.00 33.10 C ATOM 542 CG2 VAL A 32 -0.674 -3.687 -4.732 1.00 71.30 C ATOM 0 H VAL A 32 1.861 -5.076 -4.353 1.00 62.32 H new ATOM 0 HA VAL A 32 -0.002 -5.843 -6.496 1.00 62.13 H new ATOM 0 HB VAL A 32 1.146 -3.117 -5.704 1.00 62.22 H new ATOM 0 HG11 VAL A 32 -0.726 -2.164 -7.010 1.00 33.10 H new ATOM 0 HG12 VAL A 32 0.363 -3.150 -8.014 1.00 33.10 H new ATOM 0 HG13 VAL A 32 -1.209 -3.806 -7.498 1.00 33.10 H new ATOM 0 HG21 VAL A 32 -1.026 -2.664 -4.597 1.00 71.30 H new ATOM 0 HG22 VAL A 32 -1.526 -4.342 -4.914 1.00 71.30 H new ATOM 0 HG23 VAL A 32 -0.151 -4.013 -3.833 1.00 71.30 H new ATOM 552 N LYS A 33 1.636 -5.843 -8.396 1.00 73.13 N ATOM 553 CA LYS A 33 2.556 -5.873 -9.549 1.00 4.22 C ATOM 554 C LYS A 33 2.335 -4.633 -10.442 1.00 23.01 C ATOM 555 O LYS A 33 3.281 -3.898 -10.752 1.00 41.23 O ATOM 556 CB LYS A 33 2.345 -7.190 -10.349 1.00 45.44 C ATOM 557 CG LYS A 33 2.572 -8.473 -9.510 1.00 3.45 C ATOM 558 CD LYS A 33 2.202 -9.770 -10.277 1.00 42.22 C ATOM 559 CE LYS A 33 2.263 -11.029 -9.397 1.00 22.52 C ATOM 560 NZ LYS A 33 1.916 -12.267 -10.152 1.00 15.12 N ATOM 0 H LYS A 33 0.774 -6.368 -8.545 1.00 73.13 H new ATOM 0 HA LYS A 33 3.586 -5.846 -9.194 1.00 4.22 H new ATOM 0 HB2 LYS A 33 1.331 -7.203 -10.749 1.00 45.44 H new ATOM 0 HB3 LYS A 33 3.024 -7.199 -11.202 1.00 45.44 H new ATOM 0 HG2 LYS A 33 3.618 -8.522 -9.207 1.00 3.45 H new ATOM 0 HG3 LYS A 33 1.978 -8.414 -8.598 1.00 3.45 H new ATOM 0 HD2 LYS A 33 1.197 -9.669 -10.687 1.00 42.22 H new ATOM 0 HD3 LYS A 33 2.880 -9.891 -11.122 1.00 42.22 H new ATOM 0 HE2 LYS A 33 3.265 -11.130 -8.980 1.00 22.52 H new ATOM 0 HE3 LYS A 33 1.578 -10.915 -8.557 1.00 22.52 H new ATOM 0 HZ1 LYS A 33 1.971 -13.088 -9.516 1.00 15.12 H new ATOM 0 HZ2 LYS A 33 0.950 -12.185 -10.528 1.00 15.12 H new ATOM 0 HZ3 LYS A 33 2.584 -12.393 -10.939 1.00 15.12 H new ATOM 574 N THR A 34 1.065 -4.411 -10.839 1.00 23.35 N ATOM 575 CA THR A 34 0.665 -3.307 -11.748 1.00 0.21 C ATOM 576 C THR A 34 -0.542 -2.529 -11.175 1.00 31.22 C ATOM 577 O THR A 34 -1.112 -2.917 -10.156 1.00 3.52 O ATOM 578 CB THR A 34 0.279 -3.859 -13.160 1.00 44.43 C ATOM 579 OG1 THR A 34 -0.803 -4.792 -13.028 1.00 3.54 O ATOM 580 CG2 THR A 34 1.460 -4.540 -13.878 1.00 12.12 C ATOM 0 H THR A 34 0.282 -4.992 -10.539 1.00 23.35 H new ATOM 0 HA THR A 34 1.520 -2.638 -11.838 1.00 0.21 H new ATOM 0 HB THR A 34 -0.020 -3.006 -13.770 1.00 44.43 H new ATOM 0 HG1 THR A 34 -1.047 -5.137 -13.912 1.00 3.54 H new ATOM 0 HG21 THR A 34 1.133 -4.903 -14.852 1.00 12.12 H new ATOM 0 HG22 THR A 34 2.268 -3.821 -14.011 1.00 12.12 H new ATOM 0 HG23 THR A 34 1.816 -5.378 -13.279 1.00 12.12 H new ATOM 588 N GLU A 35 -0.935 -1.452 -11.882 1.00 63.23 N ATOM 589 CA GLU A 35 -2.134 -0.645 -11.560 1.00 64.22 C ATOM 590 C GLU A 35 -3.416 -1.497 -11.614 1.00 71.11 C ATOM 591 O GLU A 35 -4.358 -1.251 -10.866 1.00 63.21 O ATOM 592 CB GLU A 35 -2.251 0.548 -12.546 1.00 44.12 C ATOM 593 CG GLU A 35 -2.286 0.131 -14.033 1.00 25.01 C ATOM 594 CD GLU A 35 -2.421 1.317 -14.988 1.00 3.24 C ATOM 595 OE1 GLU A 35 -1.448 2.088 -15.122 1.00 41.41 O ATOM 596 OE2 GLU A 35 -3.498 1.499 -15.604 1.00 4.42 O ATOM 0 H GLU A 35 -0.427 -1.113 -12.699 1.00 63.23 H new ATOM 0 HA GLU A 35 -2.022 -0.268 -10.544 1.00 64.22 H new ATOM 0 HB2 GLU A 35 -3.156 1.110 -12.315 1.00 44.12 H new ATOM 0 HB3 GLU A 35 -1.409 1.221 -12.388 1.00 44.12 H new ATOM 0 HG2 GLU A 35 -1.375 -0.417 -14.271 1.00 25.01 H new ATOM 0 HG3 GLU A 35 -3.120 -0.552 -14.192 1.00 25.01 H new ATOM 603 N ASP A 36 -3.424 -2.493 -12.521 1.00 14.22 N ATOM 604 CA ASP A 36 -4.533 -3.445 -12.694 1.00 24.15 C ATOM 605 C ASP A 36 -4.744 -4.273 -11.420 1.00 75.33 C ATOM 606 O ASP A 36 -5.882 -4.549 -11.022 1.00 63.53 O ATOM 607 CB ASP A 36 -4.222 -4.369 -13.899 1.00 21.22 C ATOM 608 CG ASP A 36 -5.353 -5.365 -14.227 1.00 34.31 C ATOM 609 OD1 ASP A 36 -6.339 -4.954 -14.873 1.00 71.05 O ATOM 610 OD2 ASP A 36 -5.254 -6.558 -13.859 1.00 12.41 O ATOM 0 H ASP A 36 -2.648 -2.659 -13.162 1.00 14.22 H new ATOM 0 HA ASP A 36 -5.453 -2.894 -12.886 1.00 24.15 H new ATOM 0 HB2 ASP A 36 -4.027 -3.753 -14.777 1.00 21.22 H new ATOM 0 HB3 ASP A 36 -3.308 -4.926 -13.692 1.00 21.22 H new ATOM 615 N GLU A 37 -3.621 -4.659 -10.791 1.00 32.15 N ATOM 616 CA GLU A 37 -3.617 -5.405 -9.525 1.00 21.53 C ATOM 617 C GLU A 37 -4.031 -4.501 -8.348 1.00 1.42 C ATOM 618 O GLU A 37 -4.701 -4.956 -7.422 1.00 21.42 O ATOM 619 CB GLU A 37 -2.215 -6.013 -9.282 1.00 42.31 C ATOM 620 CG GLU A 37 -1.722 -6.943 -10.410 1.00 64.35 C ATOM 621 CD GLU A 37 -2.674 -8.123 -10.680 1.00 20.11 C ATOM 622 OE1 GLU A 37 -2.822 -8.999 -9.795 1.00 42.23 O ATOM 623 OE2 GLU A 37 -3.286 -8.182 -11.768 1.00 20.31 O ATOM 0 H GLU A 37 -2.687 -4.460 -11.150 1.00 32.15 H new ATOM 0 HA GLU A 37 -4.347 -6.212 -9.593 1.00 21.53 H new ATOM 0 HB2 GLU A 37 -1.497 -5.202 -9.156 1.00 42.31 H new ATOM 0 HB3 GLU A 37 -2.232 -6.573 -8.347 1.00 42.31 H new ATOM 0 HG2 GLU A 37 -1.603 -6.363 -11.325 1.00 64.35 H new ATOM 0 HG3 GLU A 37 -0.737 -7.331 -10.149 1.00 64.35 H new ATOM 630 N LEU A 38 -3.635 -3.213 -8.415 1.00 13.55 N ATOM 631 CA LEU A 38 -3.988 -2.193 -7.407 1.00 20.50 C ATOM 632 C LEU A 38 -5.529 -2.053 -7.348 1.00 23.01 C ATOM 633 O LEU A 38 -6.141 -2.125 -6.274 1.00 5.31 O ATOM 634 CB LEU A 38 -3.276 -0.845 -7.782 1.00 65.13 C ATOM 635 CG LEU A 38 -3.133 0.258 -6.674 1.00 43.02 C ATOM 636 CD1 LEU A 38 -4.455 0.984 -6.361 1.00 14.33 C ATOM 637 CD2 LEU A 38 -2.504 -0.333 -5.395 1.00 23.44 C ATOM 0 H LEU A 38 -3.058 -2.850 -9.174 1.00 13.55 H new ATOM 0 HA LEU A 38 -3.648 -2.484 -6.413 1.00 20.50 H new ATOM 0 HB2 LEU A 38 -2.275 -1.087 -8.141 1.00 65.13 H new ATOM 0 HB3 LEU A 38 -3.817 -0.406 -8.620 1.00 65.13 H new ATOM 0 HG LEU A 38 -2.463 1.017 -7.077 1.00 43.02 H new ATOM 0 HD11 LEU A 38 -4.285 1.733 -5.587 1.00 14.33 H new ATOM 0 HD12 LEU A 38 -4.825 1.472 -7.263 1.00 14.33 H new ATOM 0 HD13 LEU A 38 -5.193 0.262 -6.011 1.00 14.33 H new ATOM 0 HD21 LEU A 38 -2.414 0.448 -4.640 1.00 23.44 H new ATOM 0 HD22 LEU A 38 -3.138 -1.134 -5.015 1.00 23.44 H new ATOM 0 HD23 LEU A 38 -1.516 -0.731 -5.626 1.00 23.44 H new ATOM 649 N LYS A 39 -6.123 -1.923 -8.546 1.00 35.44 N ATOM 650 CA LYS A 39 -7.580 -1.815 -8.743 1.00 11.04 C ATOM 651 C LYS A 39 -8.289 -3.110 -8.324 1.00 23.41 C ATOM 652 O LYS A 39 -9.371 -3.059 -7.750 1.00 20.45 O ATOM 653 CB LYS A 39 -7.881 -1.526 -10.231 1.00 1.41 C ATOM 654 CG LYS A 39 -7.357 -0.169 -10.737 1.00 75.41 C ATOM 655 CD LYS A 39 -7.380 -0.058 -12.281 1.00 15.01 C ATOM 656 CE LYS A 39 -8.788 -0.204 -12.877 1.00 73.24 C ATOM 657 NZ LYS A 39 -8.777 -0.115 -14.364 1.00 3.24 N ATOM 0 H LYS A 39 -5.597 -1.889 -9.419 1.00 35.44 H new ATOM 0 HA LYS A 39 -7.950 -1.000 -8.122 1.00 11.04 H new ATOM 0 HB2 LYS A 39 -7.444 -2.319 -10.838 1.00 1.41 H new ATOM 0 HB3 LYS A 39 -8.959 -1.565 -10.385 1.00 1.41 H new ATOM 0 HG2 LYS A 39 -7.962 0.631 -10.310 1.00 75.41 H new ATOM 0 HG3 LYS A 39 -6.337 -0.022 -10.381 1.00 75.41 H new ATOM 0 HD2 LYS A 39 -6.966 0.906 -12.576 1.00 15.01 H new ATOM 0 HD3 LYS A 39 -6.732 -0.826 -12.704 1.00 15.01 H new ATOM 0 HE2 LYS A 39 -9.212 -1.161 -12.574 1.00 73.24 H new ATOM 0 HE3 LYS A 39 -9.435 0.574 -12.472 1.00 73.24 H new ATOM 0 HZ1 LYS A 39 -9.747 -0.218 -14.725 1.00 3.24 H new ATOM 0 HZ2 LYS A 39 -8.396 0.808 -14.654 1.00 3.24 H new ATOM 0 HZ3 LYS A 39 -8.180 -0.873 -14.753 1.00 3.24 H new ATOM 671 N LYS A 40 -7.645 -4.251 -8.631 1.00 31.24 N ATOM 672 CA LYS A 40 -8.168 -5.599 -8.346 1.00 71.12 C ATOM 673 C LYS A 40 -8.391 -5.799 -6.836 1.00 61.51 C ATOM 674 O LYS A 40 -9.396 -6.385 -6.410 1.00 14.55 O ATOM 675 CB LYS A 40 -7.174 -6.648 -8.904 1.00 55.31 C ATOM 676 CG LYS A 40 -7.580 -8.129 -8.727 1.00 60.32 C ATOM 677 CD LYS A 40 -6.563 -9.129 -9.347 1.00 63.23 C ATOM 678 CE LYS A 40 -6.595 -9.186 -10.894 1.00 52.22 C ATOM 679 NZ LYS A 40 -6.139 -7.923 -11.552 1.00 60.20 N ATOM 0 H LYS A 40 -6.734 -4.262 -9.090 1.00 31.24 H new ATOM 0 HA LYS A 40 -9.136 -5.721 -8.832 1.00 71.12 H new ATOM 0 HB2 LYS A 40 -7.033 -6.455 -9.968 1.00 55.31 H new ATOM 0 HB3 LYS A 40 -6.208 -6.497 -8.422 1.00 55.31 H new ATOM 0 HG2 LYS A 40 -7.687 -8.344 -7.664 1.00 60.32 H new ATOM 0 HG3 LYS A 40 -8.557 -8.287 -9.184 1.00 60.32 H new ATOM 0 HD2 LYS A 40 -5.558 -8.855 -9.025 1.00 63.23 H new ATOM 0 HD3 LYS A 40 -6.763 -10.125 -8.953 1.00 63.23 H new ATOM 0 HE2 LYS A 40 -5.965 -10.009 -11.231 1.00 52.22 H new ATOM 0 HE3 LYS A 40 -7.611 -9.408 -11.220 1.00 52.22 H new ATOM 0 HZ1 LYS A 40 -5.616 -8.153 -12.421 1.00 60.20 H new ATOM 0 HZ2 LYS A 40 -6.965 -7.338 -11.790 1.00 60.20 H new ATOM 0 HZ3 LYS A 40 -5.518 -7.398 -10.903 1.00 60.20 H new ATOM 693 N TYR A 41 -7.443 -5.285 -6.046 1.00 34.01 N ATOM 694 CA TYR A 41 -7.511 -5.343 -4.580 1.00 21.43 C ATOM 695 C TYR A 41 -8.564 -4.359 -4.048 1.00 74.45 C ATOM 696 O TYR A 41 -9.287 -4.681 -3.102 1.00 71.01 O ATOM 697 CB TYR A 41 -6.115 -5.077 -3.963 1.00 70.41 C ATOM 698 CG TYR A 41 -5.046 -6.117 -4.360 1.00 32.34 C ATOM 699 CD1 TYR A 41 -5.362 -7.478 -4.472 1.00 3.21 C ATOM 700 CD2 TYR A 41 -3.727 -5.743 -4.627 1.00 73.23 C ATOM 701 CE1 TYR A 41 -4.409 -8.409 -4.830 1.00 64.32 C ATOM 702 CE2 TYR A 41 -2.770 -6.677 -4.986 1.00 10.52 C ATOM 703 CZ TYR A 41 -3.117 -8.005 -5.090 1.00 64.31 C ATOM 704 OH TYR A 41 -2.168 -8.939 -5.445 1.00 55.23 O ATOM 0 H TYR A 41 -6.609 -4.818 -6.402 1.00 34.01 H new ATOM 0 HA TYR A 41 -7.819 -6.345 -4.282 1.00 21.43 H new ATOM 0 HB2 TYR A 41 -5.776 -4.087 -4.269 1.00 70.41 H new ATOM 0 HB3 TYR A 41 -6.206 -5.061 -2.877 1.00 70.41 H new ATOM 0 HD1 TYR A 41 -6.372 -7.804 -4.274 1.00 3.21 H new ATOM 0 HD2 TYR A 41 -3.447 -4.703 -4.552 1.00 73.23 H new ATOM 0 HE1 TYR A 41 -4.675 -9.453 -4.906 1.00 64.32 H new ATOM 0 HE2 TYR A 41 -1.755 -6.365 -5.184 1.00 10.52 H new ATOM 0 HH TYR A 41 -1.273 -8.555 -5.332 1.00 55.23 H new ATOM 714 N LEU A 42 -8.657 -3.165 -4.677 1.00 61.04 N ATOM 715 CA LEU A 42 -9.661 -2.141 -4.303 1.00 15.01 C ATOM 716 C LEU A 42 -11.109 -2.621 -4.559 1.00 35.45 C ATOM 717 O LEU A 42 -12.008 -2.272 -3.788 1.00 62.42 O ATOM 718 CB LEU A 42 -9.399 -0.807 -5.047 1.00 14.31 C ATOM 719 CG LEU A 42 -8.081 -0.062 -4.679 1.00 4.13 C ATOM 720 CD1 LEU A 42 -7.936 1.240 -5.492 1.00 73.21 C ATOM 721 CD2 LEU A 42 -7.987 0.210 -3.159 1.00 40.52 C ATOM 0 H LEU A 42 -8.048 -2.886 -5.447 1.00 61.04 H new ATOM 0 HA LEU A 42 -9.554 -1.973 -3.231 1.00 15.01 H new ATOM 0 HB2 LEU A 42 -9.391 -1.008 -6.118 1.00 14.31 H new ATOM 0 HB3 LEU A 42 -10.237 -0.137 -4.854 1.00 14.31 H new ATOM 0 HG LEU A 42 -7.249 -0.715 -4.943 1.00 4.13 H new ATOM 0 HD11 LEU A 42 -7.008 1.740 -5.216 1.00 73.21 H new ATOM 0 HD12 LEU A 42 -7.918 1.004 -6.556 1.00 73.21 H new ATOM 0 HD13 LEU A 42 -8.779 1.897 -5.280 1.00 73.21 H new ATOM 0 HD21 LEU A 42 -7.055 0.731 -2.940 1.00 40.52 H new ATOM 0 HD22 LEU A 42 -8.830 0.827 -2.847 1.00 40.52 H new ATOM 0 HD23 LEU A 42 -8.010 -0.736 -2.618 1.00 40.52 H new ATOM 733 N GLU A 43 -11.317 -3.413 -5.648 1.00 34.55 N ATOM 734 CA GLU A 43 -12.622 -4.058 -5.962 1.00 54.32 C ATOM 735 C GLU A 43 -13.134 -4.856 -4.755 1.00 63.41 C ATOM 736 O GLU A 43 -14.318 -4.798 -4.407 1.00 32.33 O ATOM 737 CB GLU A 43 -12.516 -5.013 -7.190 1.00 50.11 C ATOM 738 CG GLU A 43 -12.234 -4.330 -8.539 1.00 43.45 C ATOM 739 CD GLU A 43 -12.143 -5.340 -9.700 1.00 44.13 C ATOM 740 OE1 GLU A 43 -13.199 -5.723 -10.252 1.00 21.52 O ATOM 741 OE2 GLU A 43 -11.026 -5.775 -10.058 1.00 43.43 O ATOM 0 H GLU A 43 -10.587 -3.621 -6.330 1.00 34.55 H new ATOM 0 HA GLU A 43 -13.321 -3.257 -6.202 1.00 54.32 H new ATOM 0 HB2 GLU A 43 -11.725 -5.738 -6.997 1.00 50.11 H new ATOM 0 HB3 GLU A 43 -13.447 -5.573 -7.274 1.00 50.11 H new ATOM 0 HG2 GLU A 43 -13.023 -3.608 -8.750 1.00 43.45 H new ATOM 0 HG3 GLU A 43 -11.300 -3.772 -8.473 1.00 43.45 H new ATOM 748 N GLU A 44 -12.196 -5.581 -4.134 1.00 63.45 N ATOM 749 CA GLU A 44 -12.454 -6.423 -2.973 1.00 42.21 C ATOM 750 C GLU A 44 -12.722 -5.548 -1.721 1.00 15.04 C ATOM 751 O GLU A 44 -13.683 -5.783 -1.007 1.00 32.35 O ATOM 752 CB GLU A 44 -11.246 -7.377 -2.745 1.00 31.03 C ATOM 753 CG GLU A 44 -11.518 -8.547 -1.777 1.00 51.25 C ATOM 754 CD GLU A 44 -12.527 -9.577 -2.323 1.00 4.42 C ATOM 755 OE1 GLU A 44 -12.170 -10.331 -3.260 1.00 43.32 O ATOM 756 OE2 GLU A 44 -13.672 -9.654 -1.817 1.00 63.50 O ATOM 0 H GLU A 44 -11.221 -5.595 -4.434 1.00 63.45 H new ATOM 0 HA GLU A 44 -13.344 -7.026 -3.152 1.00 42.21 H new ATOM 0 HB2 GLU A 44 -10.937 -7.785 -3.707 1.00 31.03 H new ATOM 0 HB3 GLU A 44 -10.408 -6.794 -2.362 1.00 31.03 H new ATOM 0 HG2 GLU A 44 -10.578 -9.053 -1.558 1.00 51.25 H new ATOM 0 HG3 GLU A 44 -11.893 -8.148 -0.834 1.00 51.25 H new ATOM 763 N PHE A 45 -11.880 -4.511 -1.495 1.00 64.54 N ATOM 764 CA PHE A 45 -11.975 -3.629 -0.293 1.00 40.20 C ATOM 765 C PHE A 45 -13.239 -2.736 -0.287 1.00 3.45 C ATOM 766 O PHE A 45 -13.586 -2.167 0.754 1.00 60.23 O ATOM 767 CB PHE A 45 -10.703 -2.740 -0.162 1.00 64.21 C ATOM 768 CG PHE A 45 -9.389 -3.512 0.010 1.00 31.14 C ATOM 769 CD1 PHE A 45 -9.333 -4.694 0.761 1.00 52.03 C ATOM 770 CD2 PHE A 45 -8.210 -3.063 -0.590 1.00 54.41 C ATOM 771 CE1 PHE A 45 -8.145 -5.389 0.904 1.00 70.51 C ATOM 772 CE2 PHE A 45 -7.029 -3.761 -0.443 1.00 52.05 C ATOM 773 CZ PHE A 45 -6.994 -4.923 0.299 1.00 22.23 C ATOM 0 H PHE A 45 -11.122 -4.259 -2.129 1.00 64.54 H new ATOM 0 HA PHE A 45 -12.051 -4.297 0.565 1.00 40.20 H new ATOM 0 HB2 PHE A 45 -10.624 -2.111 -1.049 1.00 64.21 H new ATOM 0 HB3 PHE A 45 -10.830 -2.073 0.691 1.00 64.21 H new ATOM 0 HD1 PHE A 45 -10.229 -5.067 1.234 1.00 52.03 H new ATOM 0 HD2 PHE A 45 -8.223 -2.157 -1.177 1.00 54.41 H new ATOM 0 HE1 PHE A 45 -8.118 -6.296 1.489 1.00 70.51 H new ATOM 0 HE2 PHE A 45 -6.127 -3.395 -0.911 1.00 52.05 H new ATOM 0 HZ PHE A 45 -6.068 -5.468 0.407 1.00 22.23 H new ATOM 783 N ARG A 46 -13.898 -2.611 -1.452 1.00 1.23 N ATOM 784 CA ARG A 46 -15.167 -1.856 -1.595 1.00 4.24 C ATOM 785 C ARG A 46 -16.284 -2.432 -0.696 1.00 24.43 C ATOM 786 O ARG A 46 -17.049 -1.674 -0.088 1.00 72.21 O ATOM 787 CB ARG A 46 -15.622 -1.865 -3.074 1.00 40.40 C ATOM 788 CG ARG A 46 -14.882 -0.870 -3.998 1.00 60.32 C ATOM 789 CD ARG A 46 -15.119 -1.178 -5.490 1.00 30.32 C ATOM 790 NE ARG A 46 -16.557 -1.319 -5.837 1.00 21.21 N ATOM 791 CZ ARG A 46 -17.183 -2.483 -6.110 1.00 24.51 C ATOM 792 NH1 ARG A 46 -16.530 -3.647 -6.083 1.00 44.12 N ATOM 793 NH2 ARG A 46 -18.475 -2.470 -6.391 1.00 31.00 N ATOM 0 H ARG A 46 -13.571 -3.028 -2.324 1.00 1.23 H new ATOM 0 HA ARG A 46 -14.980 -0.831 -1.274 1.00 4.24 H new ATOM 0 HB2 ARG A 46 -15.491 -2.871 -3.471 1.00 40.40 H new ATOM 0 HB3 ARG A 46 -16.689 -1.645 -3.110 1.00 40.40 H new ATOM 0 HG2 ARG A 46 -15.217 0.144 -3.780 1.00 60.32 H new ATOM 0 HG3 ARG A 46 -13.813 -0.905 -3.786 1.00 60.32 H new ATOM 0 HD2 ARG A 46 -14.683 -0.381 -6.093 1.00 30.32 H new ATOM 0 HD3 ARG A 46 -14.597 -2.098 -5.752 1.00 30.32 H new ATOM 0 HE ARG A 46 -17.116 -0.467 -5.872 1.00 21.21 H new ATOM 0 HH11 ARG A 46 -15.537 -3.669 -5.852 1.00 44.12 H new ATOM 0 HH12 ARG A 46 -17.024 -4.514 -6.293 1.00 44.12 H new ATOM 0 HH21 ARG A 46 -18.986 -1.587 -6.400 1.00 31.00 H new ATOM 0 HH22 ARG A 46 -18.960 -3.343 -6.599 1.00 31.00 H new ATOM 807 N LYS A 47 -16.325 -3.777 -0.588 1.00 42.10 N ATOM 808 CA LYS A 47 -17.376 -4.511 0.166 1.00 2.12 C ATOM 809 C LYS A 47 -17.400 -4.085 1.657 1.00 63.23 C ATOM 810 O LYS A 47 -18.429 -4.178 2.331 1.00 2.14 O ATOM 811 CB LYS A 47 -17.120 -6.046 0.048 1.00 73.21 C ATOM 812 CG LYS A 47 -15.955 -6.577 0.927 1.00 11.54 C ATOM 813 CD LYS A 47 -15.443 -7.966 0.505 1.00 31.32 C ATOM 814 CE LYS A 47 -16.518 -9.061 0.538 1.00 13.11 C ATOM 815 NZ LYS A 47 -15.976 -10.360 0.048 1.00 4.24 N ATOM 0 H LYS A 47 -15.632 -4.389 -1.019 1.00 42.10 H new ATOM 0 HA LYS A 47 -18.347 -4.266 -0.264 1.00 2.12 H new ATOM 0 HB2 LYS A 47 -18.033 -6.575 0.320 1.00 73.21 H new ATOM 0 HB3 LYS A 47 -16.910 -6.287 -0.994 1.00 73.21 H new ATOM 0 HG2 LYS A 47 -15.129 -5.867 0.886 1.00 11.54 H new ATOM 0 HG3 LYS A 47 -16.286 -6.622 1.965 1.00 11.54 H new ATOM 0 HD2 LYS A 47 -15.035 -7.901 -0.504 1.00 31.32 H new ATOM 0 HD3 LYS A 47 -14.623 -8.255 1.162 1.00 31.32 H new ATOM 0 HE2 LYS A 47 -16.890 -9.179 1.556 1.00 13.11 H new ATOM 0 HE3 LYS A 47 -17.366 -8.761 -0.078 1.00 13.11 H new ATOM 0 HZ1 LYS A 47 -16.723 -10.880 -0.456 1.00 4.24 H new ATOM 0 HZ2 LYS A 47 -15.181 -10.183 -0.599 1.00 4.24 H new ATOM 0 HZ3 LYS A 47 -15.645 -10.925 0.856 1.00 4.24 H new ATOM 829 N GLU A 48 -16.244 -3.592 2.133 1.00 54.52 N ATOM 830 CA GLU A 48 -15.998 -3.246 3.538 1.00 63.45 C ATOM 831 C GLU A 48 -15.337 -1.863 3.636 1.00 51.33 C ATOM 832 O GLU A 48 -14.606 -1.581 4.593 1.00 22.55 O ATOM 833 CB GLU A 48 -15.092 -4.345 4.153 1.00 64.13 C ATOM 834 CG GLU A 48 -13.764 -4.557 3.390 1.00 63.13 C ATOM 835 CD GLU A 48 -12.904 -5.664 3.993 1.00 62.32 C ATOM 836 OE1 GLU A 48 -12.171 -5.388 4.955 1.00 13.23 O ATOM 837 OE2 GLU A 48 -12.980 -6.821 3.525 1.00 41.22 O ATOM 0 H GLU A 48 -15.436 -3.420 1.534 1.00 54.52 H new ATOM 0 HA GLU A 48 -16.937 -3.198 4.089 1.00 63.45 H new ATOM 0 HB2 GLU A 48 -14.868 -4.082 5.187 1.00 64.13 H new ATOM 0 HB3 GLU A 48 -15.642 -5.286 4.175 1.00 64.13 H new ATOM 0 HG2 GLU A 48 -13.983 -4.799 2.350 1.00 63.13 H new ATOM 0 HG3 GLU A 48 -13.199 -3.625 3.388 1.00 63.13 H new ATOM 844 N SER A 49 -15.660 -0.977 2.667 1.00 74.51 N ATOM 845 CA SER A 49 -15.045 0.366 2.567 1.00 73.23 C ATOM 846 C SER A 49 -15.459 1.318 3.726 1.00 74.34 C ATOM 847 O SER A 49 -15.036 2.485 3.758 1.00 72.04 O ATOM 848 CB SER A 49 -15.339 0.998 1.186 1.00 25.12 C ATOM 849 OG SER A 49 -16.730 1.041 0.907 1.00 43.32 O ATOM 0 H SER A 49 -16.348 -1.170 1.939 1.00 74.51 H new ATOM 0 HA SER A 49 -13.969 0.226 2.666 1.00 73.23 H new ATOM 0 HB2 SER A 49 -14.932 2.009 1.155 1.00 25.12 H new ATOM 0 HB3 SER A 49 -14.831 0.426 0.410 1.00 25.12 H new ATOM 0 HG SER A 49 -17.019 0.176 0.549 1.00 43.32 H new ATOM 855 N GLN A 50 -16.293 0.818 4.666 1.00 10.55 N ATOM 856 CA GLN A 50 -16.558 1.495 5.944 1.00 45.12 C ATOM 857 C GLN A 50 -15.370 1.259 6.900 1.00 63.13 C ATOM 858 O GLN A 50 -14.827 0.153 6.932 1.00 40.41 O ATOM 859 CB GLN A 50 -17.917 1.001 6.550 1.00 70.12 C ATOM 860 CG GLN A 50 -18.053 -0.518 6.863 1.00 25.33 C ATOM 861 CD GLN A 50 -17.682 -0.917 8.304 1.00 24.31 C ATOM 862 OE1 GLN A 50 -18.514 -0.851 9.211 1.00 44.44 O ATOM 863 NE2 GLN A 50 -16.450 -1.350 8.531 1.00 23.43 N ATOM 0 H GLN A 50 -16.796 -0.062 4.555 1.00 10.55 H new ATOM 0 HA GLN A 50 -16.654 2.569 5.786 1.00 45.12 H new ATOM 0 HB2 GLN A 50 -18.094 1.552 7.474 1.00 70.12 H new ATOM 0 HB3 GLN A 50 -18.713 1.275 5.858 1.00 70.12 H new ATOM 0 HG2 GLN A 50 -19.081 -0.824 6.670 1.00 25.33 H new ATOM 0 HG3 GLN A 50 -17.420 -1.075 6.172 1.00 25.33 H new ATOM 0 HE21 GLN A 50 -15.777 -1.397 7.766 1.00 23.43 H new ATOM 0 HE22 GLN A 50 -16.175 -1.636 9.471 1.00 23.43 H new ATOM 872 N ASN A 51 -14.933 2.330 7.606 1.00 44.03 N ATOM 873 CA ASN A 51 -13.901 2.260 8.683 1.00 5.32 C ATOM 874 C ASN A 51 -12.582 1.600 8.204 1.00 34.34 C ATOM 875 O ASN A 51 -11.843 0.998 9.004 1.00 61.21 O ATOM 876 CB ASN A 51 -14.477 1.518 9.926 1.00 34.15 C ATOM 877 CG ASN A 51 -15.667 2.242 10.557 1.00 12.42 C ATOM 878 OD1 ASN A 51 -15.499 3.087 11.436 1.00 35.01 O ATOM 879 ND2 ASN A 51 -16.880 1.933 10.112 1.00 24.31 N ATOM 0 H ASN A 51 -15.285 3.274 7.448 1.00 44.03 H new ATOM 0 HA ASN A 51 -13.649 3.283 8.961 1.00 5.32 H new ATOM 0 HB2 ASN A 51 -14.784 0.514 9.633 1.00 34.15 H new ATOM 0 HB3 ASN A 51 -13.690 1.406 10.672 1.00 34.15 H new ATOM 0 HD21 ASN A 51 -17.700 2.400 10.500 1.00 24.31 H new ATOM 0 HD22 ASN A 51 -16.992 1.229 9.383 1.00 24.31 H new ATOM 886 N ILE A 52 -12.281 1.759 6.906 1.00 22.31 N ATOM 887 CA ILE A 52 -11.111 1.141 6.267 1.00 53.45 C ATOM 888 C ILE A 52 -10.075 2.222 5.934 1.00 52.53 C ATOM 889 O ILE A 52 -10.430 3.374 5.640 1.00 32.20 O ATOM 890 CB ILE A 52 -11.506 0.337 4.964 1.00 32.14 C ATOM 891 CG1 ILE A 52 -10.368 -0.648 4.539 1.00 10.11 C ATOM 892 CG2 ILE A 52 -11.869 1.286 3.797 1.00 61.02 C ATOM 893 CD1 ILE A 52 -10.735 -1.589 3.399 1.00 43.24 C ATOM 0 H ILE A 52 -12.845 2.322 6.269 1.00 22.31 H new ATOM 0 HA ILE A 52 -10.682 0.426 6.969 1.00 53.45 H new ATOM 0 HB ILE A 52 -12.392 -0.250 5.205 1.00 32.14 H new ATOM 0 HG12 ILE A 52 -9.494 -0.067 4.245 1.00 10.11 H new ATOM 0 HG13 ILE A 52 -10.079 -1.243 5.405 1.00 10.11 H new ATOM 0 HG21 ILE A 52 -12.135 0.698 2.919 1.00 61.02 H new ATOM 0 HG22 ILE A 52 -12.715 1.910 4.085 1.00 61.02 H new ATOM 0 HG23 ILE A 52 -11.013 1.920 3.564 1.00 61.02 H new ATOM 0 HD11 ILE A 52 -9.886 -2.234 3.172 1.00 43.24 H new ATOM 0 HD12 ILE A 52 -11.588 -2.201 3.693 1.00 43.24 H new ATOM 0 HD13 ILE A 52 -10.994 -1.006 2.515 1.00 43.24 H new ATOM 905 N LYS A 53 -8.799 1.847 6.024 1.00 52.14 N ATOM 906 CA LYS A 53 -7.670 2.654 5.577 1.00 0.14 C ATOM 907 C LYS A 53 -6.694 1.704 4.876 1.00 31.54 C ATOM 908 O LYS A 53 -6.418 0.618 5.391 1.00 72.13 O ATOM 909 CB LYS A 53 -6.966 3.392 6.757 1.00 5.43 C ATOM 910 CG LYS A 53 -7.899 4.263 7.624 1.00 42.33 C ATOM 911 CD LYS A 53 -7.138 5.266 8.522 1.00 11.12 C ATOM 912 CE LYS A 53 -8.096 6.209 9.268 1.00 5.52 C ATOM 913 NZ LYS A 53 -9.057 6.869 8.337 1.00 64.33 N ATOM 0 H LYS A 53 -8.518 0.950 6.420 1.00 52.14 H new ATOM 0 HA LYS A 53 -8.020 3.435 4.902 1.00 0.14 H new ATOM 0 HB2 LYS A 53 -6.486 2.651 7.396 1.00 5.43 H new ATOM 0 HB3 LYS A 53 -6.175 4.023 6.352 1.00 5.43 H new ATOM 0 HG2 LYS A 53 -8.580 4.812 6.974 1.00 42.33 H new ATOM 0 HG3 LYS A 53 -8.510 3.615 8.252 1.00 42.33 H new ATOM 0 HD2 LYS A 53 -6.532 4.719 9.244 1.00 11.12 H new ATOM 0 HD3 LYS A 53 -6.453 5.854 7.911 1.00 11.12 H new ATOM 0 HE2 LYS A 53 -8.647 5.646 10.021 1.00 5.52 H new ATOM 0 HE3 LYS A 53 -7.520 6.969 9.796 1.00 5.52 H new ATOM 0 HZ1 LYS A 53 -9.212 7.852 8.638 1.00 64.33 H new ATOM 0 HZ2 LYS A 53 -8.668 6.860 7.373 1.00 64.33 H new ATOM 0 HZ3 LYS A 53 -9.961 6.356 8.350 1.00 64.33 H new ATOM 927 N VAL A 54 -6.211 2.098 3.696 1.00 11.14 N ATOM 928 CA VAL A 54 -5.234 1.322 2.913 1.00 14.24 C ATOM 929 C VAL A 54 -3.955 2.157 2.705 1.00 73.42 C ATOM 930 O VAL A 54 -4.039 3.334 2.410 1.00 12.22 O ATOM 931 CB VAL A 54 -5.834 0.882 1.529 1.00 10.02 C ATOM 932 CG1 VAL A 54 -4.805 0.108 0.682 1.00 74.33 C ATOM 933 CG2 VAL A 54 -7.136 0.060 1.710 1.00 32.00 C ATOM 0 H VAL A 54 -6.487 2.972 3.249 1.00 11.14 H new ATOM 0 HA VAL A 54 -4.987 0.417 3.469 1.00 14.24 H new ATOM 0 HB VAL A 54 -6.088 1.793 0.987 1.00 10.02 H new ATOM 0 HG11 VAL A 54 -5.257 -0.179 -0.267 1.00 74.33 H new ATOM 0 HG12 VAL A 54 -3.938 0.742 0.494 1.00 74.33 H new ATOM 0 HG13 VAL A 54 -4.491 -0.787 1.219 1.00 74.33 H new ATOM 0 HG21 VAL A 54 -7.524 -0.228 0.733 1.00 32.00 H new ATOM 0 HG22 VAL A 54 -6.923 -0.835 2.294 1.00 32.00 H new ATOM 0 HG23 VAL A 54 -7.878 0.664 2.231 1.00 32.00 H new ATOM 943 N LEU A 55 -2.780 1.540 2.874 1.00 73.51 N ATOM 944 CA LEU A 55 -1.480 2.206 2.714 1.00 73.22 C ATOM 945 C LEU A 55 -0.809 1.713 1.440 1.00 42.20 C ATOM 946 O LEU A 55 -0.404 0.551 1.368 1.00 44.41 O ATOM 947 CB LEU A 55 -0.566 1.902 3.917 1.00 51.35 C ATOM 948 CG LEU A 55 0.847 2.578 3.900 1.00 24.20 C ATOM 949 CD1 LEU A 55 0.763 4.105 4.083 1.00 32.10 C ATOM 950 CD2 LEU A 55 1.779 1.931 4.930 1.00 21.14 C ATOM 0 H LEU A 55 -2.703 0.555 3.128 1.00 73.51 H new ATOM 0 HA LEU A 55 -1.645 3.282 2.656 1.00 73.22 H new ATOM 0 HB2 LEU A 55 -1.082 2.210 4.826 1.00 51.35 H new ATOM 0 HB3 LEU A 55 -0.429 0.822 3.979 1.00 51.35 H new ATOM 0 HG LEU A 55 1.276 2.408 2.912 1.00 24.20 H new ATOM 0 HD11 LEU A 55 1.767 4.529 4.064 1.00 32.10 H new ATOM 0 HD12 LEU A 55 0.172 4.536 3.275 1.00 32.10 H new ATOM 0 HD13 LEU A 55 0.291 4.331 5.039 1.00 32.10 H new ATOM 0 HD21 LEU A 55 2.753 2.419 4.897 1.00 21.14 H new ATOM 0 HD22 LEU A 55 1.352 2.041 5.927 1.00 21.14 H new ATOM 0 HD23 LEU A 55 1.896 0.872 4.700 1.00 21.14 H new ATOM 962 N ILE A 56 -0.679 2.586 0.437 1.00 14.40 N ATOM 963 CA ILE A 56 -0.039 2.229 -0.830 1.00 45.34 C ATOM 964 C ILE A 56 1.405 2.774 -0.864 1.00 60.34 C ATOM 965 O ILE A 56 1.608 3.991 -0.931 1.00 64.43 O ATOM 966 CB ILE A 56 -0.870 2.721 -2.074 1.00 63.31 C ATOM 967 CG1 ILE A 56 -2.319 2.135 -2.038 1.00 3.11 C ATOM 968 CG2 ILE A 56 -0.163 2.322 -3.389 1.00 14.43 C ATOM 969 CD1 ILE A 56 -3.235 2.608 -3.161 1.00 43.51 C ATOM 0 H ILE A 56 -1.011 3.550 0.480 1.00 14.40 H new ATOM 0 HA ILE A 56 -0.004 1.141 -0.894 1.00 45.34 H new ATOM 0 HB ILE A 56 -0.937 3.808 -2.030 1.00 63.31 H new ATOM 0 HG12 ILE A 56 -2.256 1.047 -2.075 1.00 3.11 H new ATOM 0 HG13 ILE A 56 -2.776 2.395 -1.083 1.00 3.11 H new ATOM 0 HG21 ILE A 56 -0.751 2.670 -4.238 1.00 14.43 H new ATOM 0 HG22 ILE A 56 0.827 2.777 -3.422 1.00 14.43 H new ATOM 0 HG23 ILE A 56 -0.066 1.237 -3.435 1.00 14.43 H new ATOM 0 HD11 ILE A 56 -4.216 2.147 -3.049 1.00 43.51 H new ATOM 0 HD12 ILE A 56 -3.337 3.692 -3.115 1.00 43.51 H new ATOM 0 HD13 ILE A 56 -2.808 2.324 -4.123 1.00 43.51 H new ATOM 981 N LEU A 57 2.402 1.858 -0.784 1.00 43.51 N ATOM 982 CA LEU A 57 3.837 2.211 -0.889 1.00 41.44 C ATOM 983 C LEU A 57 4.259 2.011 -2.337 1.00 4.10 C ATOM 984 O LEU A 57 4.251 0.887 -2.840 1.00 51.43 O ATOM 985 CB LEU A 57 4.769 1.350 0.028 1.00 55.05 C ATOM 986 CG LEU A 57 4.563 1.443 1.575 1.00 5.22 C ATOM 987 CD1 LEU A 57 4.467 2.904 2.063 1.00 73.41 C ATOM 988 CD2 LEU A 57 3.363 0.597 2.024 1.00 10.23 C ATOM 0 H LEU A 57 2.234 0.861 -0.646 1.00 43.51 H new ATOM 0 HA LEU A 57 3.945 3.244 -0.558 1.00 41.44 H new ATOM 0 HB2 LEU A 57 4.652 0.306 -0.263 1.00 55.05 H new ATOM 0 HB3 LEU A 57 5.800 1.628 -0.189 1.00 55.05 H new ATOM 0 HG LEU A 57 5.450 1.024 2.050 1.00 5.22 H new ATOM 0 HD11 LEU A 57 4.324 2.918 3.144 1.00 73.41 H new ATOM 0 HD12 LEU A 57 5.386 3.433 1.812 1.00 73.41 H new ATOM 0 HD13 LEU A 57 3.622 3.395 1.579 1.00 73.41 H new ATOM 0 HD21 LEU A 57 3.243 0.680 3.104 1.00 10.23 H new ATOM 0 HD22 LEU A 57 2.460 0.955 1.530 1.00 10.23 H new ATOM 0 HD23 LEU A 57 3.533 -0.446 1.757 1.00 10.23 H new ATOM 1000 N VAL A 58 4.617 3.100 -3.001 1.00 24.50 N ATOM 1001 CA VAL A 58 4.982 3.093 -4.422 1.00 54.54 C ATOM 1002 C VAL A 58 6.477 3.402 -4.581 1.00 10.40 C ATOM 1003 O VAL A 58 7.047 4.159 -3.795 1.00 14.13 O ATOM 1004 CB VAL A 58 4.121 4.137 -5.202 1.00 64.20 C ATOM 1005 CG1 VAL A 58 2.625 3.752 -5.194 1.00 61.41 C ATOM 1006 CG2 VAL A 58 4.316 5.546 -4.630 1.00 33.34 C ATOM 0 H VAL A 58 4.665 4.024 -2.571 1.00 24.50 H new ATOM 0 HA VAL A 58 4.785 2.104 -4.835 1.00 54.54 H new ATOM 0 HB VAL A 58 4.463 4.135 -6.237 1.00 64.20 H new ATOM 0 HG11 VAL A 58 2.054 4.499 -5.745 1.00 61.41 H new ATOM 0 HG12 VAL A 58 2.498 2.777 -5.665 1.00 61.41 H new ATOM 0 HG13 VAL A 58 2.266 3.707 -4.166 1.00 61.41 H new ATOM 0 HG21 VAL A 58 3.706 6.254 -5.191 1.00 33.34 H new ATOM 0 HG22 VAL A 58 4.016 5.558 -3.582 1.00 33.34 H new ATOM 0 HG23 VAL A 58 5.366 5.829 -4.710 1.00 33.34 H new ATOM 1016 N SER A 59 7.101 2.808 -5.602 1.00 0.41 N ATOM 1017 CA SER A 59 8.544 2.974 -5.863 1.00 21.43 C ATOM 1018 C SER A 59 8.832 4.182 -6.786 1.00 41.05 C ATOM 1019 O SER A 59 9.983 4.637 -6.870 1.00 1.33 O ATOM 1020 CB SER A 59 9.104 1.663 -6.457 1.00 71.51 C ATOM 1021 OG SER A 59 10.512 1.715 -6.625 1.00 12.22 O ATOM 0 H SER A 59 6.628 2.200 -6.271 1.00 0.41 H new ATOM 0 HA SER A 59 9.047 3.186 -4.920 1.00 21.43 H new ATOM 0 HB2 SER A 59 8.847 0.830 -5.803 1.00 71.51 H new ATOM 0 HB3 SER A 59 8.631 1.470 -7.420 1.00 71.51 H new ATOM 0 HG SER A 59 10.828 0.867 -7.001 1.00 12.22 H new ATOM 1027 N ASN A 60 7.783 4.715 -7.464 1.00 2.52 N ATOM 1028 CA ASN A 60 7.926 5.810 -8.469 1.00 55.03 C ATOM 1029 C ASN A 60 6.796 6.847 -8.330 1.00 55.12 C ATOM 1030 O ASN A 60 5.725 6.534 -7.801 1.00 71.22 O ATOM 1031 CB ASN A 60 7.925 5.245 -9.924 1.00 23.32 C ATOM 1032 CG ASN A 60 9.105 4.319 -10.231 1.00 0.53 C ATOM 1033 OD1 ASN A 60 10.152 4.761 -10.707 1.00 32.11 O ATOM 1034 ND2 ASN A 60 8.947 3.031 -9.951 1.00 4.21 N ATOM 0 H ASN A 60 6.820 4.404 -7.334 1.00 2.52 H new ATOM 0 HA ASN A 60 8.882 6.296 -8.275 1.00 55.03 H new ATOM 0 HB2 ASN A 60 6.996 4.701 -10.091 1.00 23.32 H new ATOM 0 HB3 ASN A 60 7.937 6.078 -10.627 1.00 23.32 H new ATOM 0 HD21 ASN A 60 9.706 2.373 -10.129 1.00 4.21 H new ATOM 0 HD22 ASN A 60 8.067 2.699 -9.557 1.00 4.21 H new ATOM 1041 N ASP A 61 7.072 8.084 -8.816 1.00 43.22 N ATOM 1042 CA ASP A 61 6.085 9.202 -8.895 1.00 21.11 C ATOM 1043 C ASP A 61 4.910 8.850 -9.816 1.00 24.23 C ATOM 1044 O ASP A 61 3.784 9.298 -9.592 1.00 55.32 O ATOM 1045 CB ASP A 61 6.758 10.502 -9.424 1.00 51.34 C ATOM 1046 CG ASP A 61 7.921 10.980 -8.549 1.00 0.10 C ATOM 1047 OD1 ASP A 61 9.040 10.426 -8.679 1.00 25.43 O ATOM 1048 OD2 ASP A 61 7.723 11.883 -7.704 1.00 12.15 O ATOM 0 H ASP A 61 7.994 8.340 -9.169 1.00 43.22 H new ATOM 0 HA ASP A 61 5.712 9.365 -7.884 1.00 21.11 H new ATOM 0 HB2 ASP A 61 7.122 10.329 -10.437 1.00 51.34 H new ATOM 0 HB3 ASP A 61 6.009 11.292 -9.485 1.00 51.34 H new ATOM 1053 N GLU A 62 5.211 8.063 -10.865 1.00 70.54 N ATOM 1054 CA GLU A 62 4.214 7.560 -11.825 1.00 72.10 C ATOM 1055 C GLU A 62 3.156 6.719 -11.085 1.00 21.51 C ATOM 1056 O GLU A 62 1.939 6.942 -11.216 1.00 41.13 O ATOM 1057 CB GLU A 62 4.930 6.707 -12.917 1.00 31.23 C ATOM 1058 CG GLU A 62 4.020 6.193 -14.059 1.00 13.33 C ATOM 1059 CD GLU A 62 3.470 7.317 -14.960 1.00 74.41 C ATOM 1060 OE1 GLU A 62 4.140 7.687 -15.952 1.00 35.15 O ATOM 1061 OE2 GLU A 62 2.374 7.846 -14.675 1.00 21.22 O ATOM 0 H GLU A 62 6.162 7.756 -11.071 1.00 70.54 H new ATOM 0 HA GLU A 62 3.712 8.399 -12.307 1.00 72.10 H new ATOM 0 HB2 GLU A 62 5.730 7.304 -13.354 1.00 31.23 H new ATOM 0 HB3 GLU A 62 5.399 5.849 -12.435 1.00 31.23 H new ATOM 0 HG2 GLU A 62 4.583 5.489 -14.672 1.00 13.33 H new ATOM 0 HG3 GLU A 62 3.184 5.643 -13.627 1.00 13.33 H new ATOM 1068 N GLU A 63 3.668 5.795 -10.255 1.00 71.12 N ATOM 1069 CA GLU A 63 2.849 4.869 -9.468 1.00 44.53 C ATOM 1070 C GLU A 63 2.100 5.631 -8.358 1.00 14.00 C ATOM 1071 O GLU A 63 0.971 5.289 -8.028 1.00 63.14 O ATOM 1072 CB GLU A 63 3.752 3.768 -8.846 1.00 35.52 C ATOM 1073 CG GLU A 63 4.795 3.153 -9.798 1.00 72.50 C ATOM 1074 CD GLU A 63 4.201 2.493 -11.050 1.00 50.42 C ATOM 1075 OE1 GLU A 63 3.800 1.315 -10.975 1.00 42.05 O ATOM 1076 OE2 GLU A 63 4.147 3.144 -12.118 1.00 2.23 O ATOM 0 H GLU A 63 4.671 5.672 -10.113 1.00 71.12 H new ATOM 0 HA GLU A 63 2.115 4.400 -10.123 1.00 44.53 H new ATOM 0 HB2 GLU A 63 4.274 4.192 -7.988 1.00 35.52 H new ATOM 0 HB3 GLU A 63 3.114 2.969 -8.468 1.00 35.52 H new ATOM 0 HG2 GLU A 63 5.490 3.933 -10.109 1.00 72.50 H new ATOM 0 HG3 GLU A 63 5.375 2.410 -9.251 1.00 72.50 H new ATOM 1083 N LEU A 64 2.777 6.657 -7.786 1.00 10.43 N ATOM 1084 CA LEU A 64 2.230 7.529 -6.723 1.00 12.24 C ATOM 1085 C LEU A 64 0.930 8.195 -7.166 1.00 22.04 C ATOM 1086 O LEU A 64 -0.125 8.001 -6.541 1.00 61.31 O ATOM 1087 CB LEU A 64 3.286 8.611 -6.340 1.00 72.12 C ATOM 1088 CG LEU A 64 2.868 9.656 -5.254 1.00 51.52 C ATOM 1089 CD1 LEU A 64 2.634 9.000 -3.876 1.00 30.50 C ATOM 1090 CD2 LEU A 64 3.902 10.796 -5.159 1.00 72.13 C ATOM 0 H LEU A 64 3.730 6.903 -8.055 1.00 10.43 H new ATOM 0 HA LEU A 64 2.007 6.912 -5.852 1.00 12.24 H new ATOM 0 HB2 LEU A 64 4.184 8.100 -5.991 1.00 72.12 H new ATOM 0 HB3 LEU A 64 3.559 9.153 -7.245 1.00 72.12 H new ATOM 0 HG LEU A 64 1.916 10.084 -5.568 1.00 51.52 H new ATOM 0 HD11 LEU A 64 2.346 9.764 -3.154 1.00 30.50 H new ATOM 0 HD12 LEU A 64 1.839 8.258 -3.956 1.00 30.50 H new ATOM 0 HD13 LEU A 64 3.551 8.514 -3.544 1.00 30.50 H new ATOM 0 HD21 LEU A 64 3.588 11.509 -4.397 1.00 72.13 H new ATOM 0 HD22 LEU A 64 4.875 10.384 -4.891 1.00 72.13 H new ATOM 0 HD23 LEU A 64 3.975 11.302 -6.122 1.00 72.13 H new ATOM 1102 N ASP A 65 1.032 8.959 -8.269 1.00 13.44 N ATOM 1103 CA ASP A 65 -0.075 9.751 -8.796 1.00 61.31 C ATOM 1104 C ASP A 65 -1.233 8.843 -9.218 1.00 62.53 C ATOM 1105 O ASP A 65 -2.380 9.080 -8.822 1.00 52.12 O ATOM 1106 CB ASP A 65 0.390 10.655 -9.965 1.00 50.42 C ATOM 1107 CG ASP A 65 -0.690 11.681 -10.365 1.00 54.55 C ATOM 1108 OD1 ASP A 65 -0.991 12.577 -9.545 1.00 44.11 O ATOM 1109 OD2 ASP A 65 -1.255 11.585 -11.471 1.00 15.33 O ATOM 0 H ASP A 65 1.890 9.039 -8.815 1.00 13.44 H new ATOM 0 HA ASP A 65 -0.433 10.406 -8.002 1.00 61.31 H new ATOM 0 HB2 ASP A 65 1.301 11.180 -9.677 1.00 50.42 H new ATOM 0 HB3 ASP A 65 0.638 10.035 -10.826 1.00 50.42 H new ATOM 1114 N LYS A 66 -0.885 7.737 -9.918 1.00 1.13 N ATOM 1115 CA LYS A 66 -1.870 6.799 -10.471 1.00 50.22 C ATOM 1116 C LYS A 66 -2.651 6.098 -9.338 1.00 21.43 C ATOM 1117 O LYS A 66 -3.877 6.016 -9.396 1.00 42.10 O ATOM 1118 CB LYS A 66 -1.184 5.760 -11.408 1.00 45.43 C ATOM 1119 CG LYS A 66 -2.163 4.843 -12.192 1.00 31.24 C ATOM 1120 CD LYS A 66 -3.235 5.648 -12.980 1.00 5.00 C ATOM 1121 CE LYS A 66 -4.075 4.777 -13.924 1.00 50.12 C ATOM 1122 NZ LYS A 66 -3.287 4.311 -15.089 1.00 2.14 N ATOM 0 H LYS A 66 0.083 7.478 -10.110 1.00 1.13 H new ATOM 0 HA LYS A 66 -2.583 7.366 -11.070 1.00 50.22 H new ATOM 0 HB2 LYS A 66 -0.558 6.294 -12.123 1.00 45.43 H new ATOM 0 HB3 LYS A 66 -0.522 5.134 -10.810 1.00 45.43 H new ATOM 0 HG2 LYS A 66 -1.597 4.223 -12.887 1.00 31.24 H new ATOM 0 HG3 LYS A 66 -2.660 4.168 -11.495 1.00 31.24 H new ATOM 0 HD2 LYS A 66 -3.897 6.148 -12.273 1.00 5.00 H new ATOM 0 HD3 LYS A 66 -2.741 6.428 -13.560 1.00 5.00 H new ATOM 0 HE2 LYS A 66 -4.460 3.916 -13.378 1.00 50.12 H new ATOM 0 HE3 LYS A 66 -4.937 5.345 -14.272 1.00 50.12 H new ATOM 0 HZ1 LYS A 66 -3.768 3.502 -15.532 1.00 2.14 H new ATOM 0 HZ2 LYS A 66 -3.200 5.083 -15.780 1.00 2.14 H new ATOM 0 HZ3 LYS A 66 -2.340 4.020 -14.773 1.00 2.14 H new ATOM 1136 N ALA A 67 -1.936 5.650 -8.287 1.00 22.43 N ATOM 1137 CA ALA A 67 -2.543 4.924 -7.154 1.00 62.20 C ATOM 1138 C ALA A 67 -3.492 5.822 -6.344 1.00 72.43 C ATOM 1139 O ALA A 67 -4.512 5.338 -5.841 1.00 12.10 O ATOM 1140 CB ALA A 67 -1.456 4.339 -6.253 1.00 34.13 C ATOM 0 H ALA A 67 -0.928 5.780 -8.200 1.00 22.43 H new ATOM 0 HA ALA A 67 -3.138 4.108 -7.565 1.00 62.20 H new ATOM 0 HB1 ALA A 67 -1.919 3.807 -5.422 1.00 34.13 H new ATOM 0 HB2 ALA A 67 -0.840 3.648 -6.828 1.00 34.13 H new ATOM 0 HB3 ALA A 67 -0.832 5.145 -5.865 1.00 34.13 H new ATOM 1146 N LYS A 68 -3.139 7.129 -6.217 1.00 53.25 N ATOM 1147 CA LYS A 68 -4.027 8.137 -5.591 1.00 63.12 C ATOM 1148 C LYS A 68 -5.344 8.247 -6.376 1.00 64.32 C ATOM 1149 O LYS A 68 -6.424 8.281 -5.781 1.00 63.42 O ATOM 1150 CB LYS A 68 -3.360 9.536 -5.522 1.00 14.42 C ATOM 1151 CG LYS A 68 -2.149 9.641 -4.572 1.00 73.22 C ATOM 1152 CD LYS A 68 -1.583 11.082 -4.427 1.00 74.02 C ATOM 1153 CE LYS A 68 -0.862 11.616 -5.687 1.00 42.53 C ATOM 1154 NZ LYS A 68 -1.781 11.903 -6.823 1.00 33.15 N ATOM 0 H LYS A 68 -2.248 7.505 -6.540 1.00 53.25 H new ATOM 0 HA LYS A 68 -4.224 7.801 -4.573 1.00 63.12 H new ATOM 0 HB2 LYS A 68 -3.040 9.818 -6.525 1.00 14.42 H new ATOM 0 HB3 LYS A 68 -4.110 10.263 -5.210 1.00 14.42 H new ATOM 0 HG2 LYS A 68 -2.440 9.275 -3.587 1.00 73.22 H new ATOM 0 HG3 LYS A 68 -1.357 8.985 -4.935 1.00 73.22 H new ATOM 0 HD2 LYS A 68 -2.402 11.757 -4.178 1.00 74.02 H new ATOM 0 HD3 LYS A 68 -0.887 11.103 -3.589 1.00 74.02 H new ATOM 0 HE2 LYS A 68 -0.322 12.527 -5.428 1.00 42.53 H new ATOM 0 HE3 LYS A 68 -0.119 10.886 -6.007 1.00 42.53 H new ATOM 0 HZ1 LYS A 68 -1.330 12.580 -7.472 1.00 33.15 H new ATOM 0 HZ2 LYS A 68 -1.989 11.021 -7.333 1.00 33.15 H new ATOM 0 HZ3 LYS A 68 -2.666 12.309 -6.459 1.00 33.15 H new ATOM 1168 N GLU A 69 -5.224 8.289 -7.720 1.00 75.15 N ATOM 1169 CA GLU A 69 -6.382 8.436 -8.628 1.00 74.23 C ATOM 1170 C GLU A 69 -7.361 7.268 -8.454 1.00 43.14 C ATOM 1171 O GLU A 69 -8.551 7.484 -8.209 1.00 64.45 O ATOM 1172 CB GLU A 69 -5.924 8.532 -10.104 1.00 41.53 C ATOM 1173 CG GLU A 69 -5.016 9.737 -10.401 1.00 52.54 C ATOM 1174 CD GLU A 69 -4.622 9.838 -11.873 1.00 61.41 C ATOM 1175 OE1 GLU A 69 -3.946 8.920 -12.368 1.00 54.31 O ATOM 1176 OE2 GLU A 69 -5.023 10.811 -12.551 1.00 71.40 O ATOM 0 H GLU A 69 -4.328 8.223 -8.204 1.00 75.15 H new ATOM 0 HA GLU A 69 -6.893 9.362 -8.366 1.00 74.23 H new ATOM 0 HB2 GLU A 69 -5.394 7.617 -10.369 1.00 41.53 H new ATOM 0 HB3 GLU A 69 -6.805 8.587 -10.744 1.00 41.53 H new ATOM 0 HG2 GLU A 69 -5.528 10.652 -10.104 1.00 52.54 H new ATOM 0 HG3 GLU A 69 -4.114 9.664 -9.793 1.00 52.54 H new ATOM 1183 N LEU A 70 -6.809 6.037 -8.504 1.00 23.34 N ATOM 1184 CA LEU A 70 -7.585 4.781 -8.444 1.00 24.51 C ATOM 1185 C LEU A 70 -8.330 4.673 -7.101 1.00 61.45 C ATOM 1186 O LEU A 70 -9.507 4.302 -7.061 1.00 31.10 O ATOM 1187 CB LEU A 70 -6.634 3.562 -8.653 1.00 14.02 C ATOM 1188 CG LEU A 70 -5.796 3.579 -9.971 1.00 1.23 C ATOM 1189 CD1 LEU A 70 -4.764 2.433 -10.011 1.00 44.20 C ATOM 1190 CD2 LEU A 70 -6.704 3.574 -11.219 1.00 12.55 C ATOM 0 H LEU A 70 -5.804 5.886 -8.588 1.00 23.34 H new ATOM 0 HA LEU A 70 -8.328 4.783 -9.241 1.00 24.51 H new ATOM 0 HB2 LEU A 70 -5.948 3.510 -7.808 1.00 14.02 H new ATOM 0 HB3 LEU A 70 -7.231 2.650 -8.635 1.00 14.02 H new ATOM 0 HG LEU A 70 -5.234 4.513 -9.982 1.00 1.23 H new ATOM 0 HD11 LEU A 70 -4.203 2.481 -10.944 1.00 44.20 H new ATOM 0 HD12 LEU A 70 -4.078 2.531 -9.169 1.00 44.20 H new ATOM 0 HD13 LEU A 70 -5.281 1.475 -9.948 1.00 44.20 H new ATOM 0 HD21 LEU A 70 -6.087 3.586 -12.118 1.00 12.55 H new ATOM 0 HD22 LEU A 70 -7.322 2.676 -11.215 1.00 12.55 H new ATOM 0 HD23 LEU A 70 -7.344 4.456 -11.207 1.00 12.55 H new ATOM 1202 N ALA A 71 -7.617 5.031 -6.015 1.00 62.44 N ATOM 1203 CA ALA A 71 -8.141 5.048 -4.639 1.00 42.30 C ATOM 1204 C ALA A 71 -9.364 5.974 -4.476 1.00 52.40 C ATOM 1205 O ALA A 71 -10.381 5.572 -3.900 1.00 73.52 O ATOM 1206 CB ALA A 71 -7.020 5.491 -3.697 1.00 42.10 C ATOM 0 H ALA A 71 -6.641 5.322 -6.073 1.00 62.44 H new ATOM 0 HA ALA A 71 -8.480 4.041 -4.395 1.00 42.30 H new ATOM 0 HB1 ALA A 71 -7.392 5.509 -2.672 1.00 42.10 H new ATOM 0 HB2 ALA A 71 -6.187 4.792 -3.769 1.00 42.10 H new ATOM 0 HB3 ALA A 71 -6.682 6.488 -3.978 1.00 42.10 H new ATOM 1212 N GLN A 72 -9.240 7.210 -4.994 1.00 32.51 N ATOM 1213 CA GLN A 72 -10.287 8.248 -4.880 1.00 72.54 C ATOM 1214 C GLN A 72 -11.522 7.887 -5.719 1.00 43.45 C ATOM 1215 O GLN A 72 -12.651 8.204 -5.332 1.00 2.25 O ATOM 1216 CB GLN A 72 -9.725 9.628 -5.305 1.00 50.35 C ATOM 1217 CG GLN A 72 -8.589 10.142 -4.400 1.00 22.31 C ATOM 1218 CD GLN A 72 -7.969 11.444 -4.906 1.00 45.20 C ATOM 1219 OE1 GLN A 72 -8.400 12.534 -4.534 1.00 1.53 O ATOM 1220 NE2 GLN A 72 -6.978 11.339 -5.786 1.00 2.53 N ATOM 0 H GLN A 72 -8.412 7.519 -5.504 1.00 32.51 H new ATOM 0 HA GLN A 72 -10.597 8.302 -3.836 1.00 72.54 H new ATOM 0 HB2 GLN A 72 -9.359 9.561 -6.329 1.00 50.35 H new ATOM 0 HB3 GLN A 72 -10.536 10.356 -5.303 1.00 50.35 H new ATOM 0 HG2 GLN A 72 -8.976 10.297 -3.393 1.00 22.31 H new ATOM 0 HG3 GLN A 72 -7.814 9.379 -4.330 1.00 22.31 H new ATOM 0 HE21 GLN A 72 -6.645 10.418 -6.072 1.00 2.53 H new ATOM 0 HE22 GLN A 72 -6.550 12.179 -6.175 1.00 2.53 H new ATOM 1229 N LYS A 73 -11.292 7.199 -6.851 1.00 0.51 N ATOM 1230 CA LYS A 73 -12.373 6.698 -7.723 1.00 73.34 C ATOM 1231 C LYS A 73 -13.199 5.623 -7.002 1.00 43.33 C ATOM 1232 O LYS A 73 -14.412 5.507 -7.208 1.00 43.44 O ATOM 1233 CB LYS A 73 -11.791 6.133 -9.048 1.00 13.51 C ATOM 1234 CG LYS A 73 -11.138 7.188 -9.971 1.00 11.44 C ATOM 1235 CD LYS A 73 -12.115 8.297 -10.423 1.00 22.52 C ATOM 1236 CE LYS A 73 -13.311 7.748 -11.226 1.00 1.53 C ATOM 1237 NZ LYS A 73 -14.285 8.815 -11.564 1.00 22.22 N ATOM 0 H LYS A 73 -10.356 6.974 -7.188 1.00 0.51 H new ATOM 0 HA LYS A 73 -13.030 7.534 -7.962 1.00 73.34 H new ATOM 0 HB2 LYS A 73 -11.049 5.372 -8.807 1.00 13.51 H new ATOM 0 HB3 LYS A 73 -12.591 5.636 -9.597 1.00 13.51 H new ATOM 0 HG2 LYS A 73 -10.297 7.645 -9.450 1.00 11.44 H new ATOM 0 HG3 LYS A 73 -10.734 6.689 -10.852 1.00 11.44 H new ATOM 0 HD2 LYS A 73 -12.485 8.828 -9.546 1.00 22.52 H new ATOM 0 HD3 LYS A 73 -11.577 9.023 -11.032 1.00 22.52 H new ATOM 0 HE2 LYS A 73 -12.950 7.282 -12.143 1.00 1.53 H new ATOM 0 HE3 LYS A 73 -13.810 6.970 -10.648 1.00 1.53 H new ATOM 0 HZ1 LYS A 73 -15.074 8.406 -12.104 1.00 22.22 H new ATOM 0 HZ2 LYS A 73 -14.649 9.243 -10.689 1.00 22.22 H new ATOM 0 HZ3 LYS A 73 -13.815 9.545 -12.137 1.00 22.22 H new ATOM 1251 N MET A 74 -12.518 4.836 -6.162 1.00 64.03 N ATOM 1252 CA MET A 74 -13.147 3.808 -5.317 1.00 54.43 C ATOM 1253 C MET A 74 -13.672 4.415 -3.996 1.00 64.52 C ATOM 1254 O MET A 74 -14.374 3.735 -3.245 1.00 51.23 O ATOM 1255 CB MET A 74 -12.125 2.684 -5.016 1.00 55.12 C ATOM 1256 CG MET A 74 -11.625 1.925 -6.248 1.00 24.54 C ATOM 1257 SD MET A 74 -12.926 0.999 -7.091 1.00 12.01 S ATOM 1258 CE MET A 74 -11.955 -0.078 -8.151 1.00 23.42 C ATOM 0 H MET A 74 -11.506 4.893 -6.047 1.00 64.03 H new ATOM 0 HA MET A 74 -13.998 3.392 -5.857 1.00 54.43 H new ATOM 0 HB2 MET A 74 -11.268 3.119 -4.502 1.00 55.12 H new ATOM 0 HB3 MET A 74 -12.581 1.972 -4.328 1.00 55.12 H new ATOM 0 HG2 MET A 74 -11.181 2.633 -6.947 1.00 24.54 H new ATOM 0 HG3 MET A 74 -10.835 1.237 -5.947 1.00 24.54 H new ATOM 0 HE1 MET A 74 -12.622 -0.712 -8.735 1.00 23.42 H new ATOM 0 HE2 MET A 74 -11.347 0.526 -8.824 1.00 23.42 H new ATOM 0 HE3 MET A 74 -11.306 -0.703 -7.538 1.00 23.42 H new ATOM 1268 N GLU A 75 -13.285 5.688 -3.720 1.00 24.02 N ATOM 1269 CA GLU A 75 -13.650 6.440 -2.488 1.00 51.33 C ATOM 1270 C GLU A 75 -13.244 5.706 -1.181 1.00 15.43 C ATOM 1271 O GLU A 75 -13.748 6.016 -0.096 1.00 14.34 O ATOM 1272 CB GLU A 75 -15.162 6.805 -2.508 1.00 3.12 C ATOM 1273 CG GLU A 75 -15.559 7.719 -3.688 1.00 33.13 C ATOM 1274 CD GLU A 75 -17.048 8.097 -3.697 1.00 31.23 C ATOM 1275 OE1 GLU A 75 -17.445 9.019 -2.949 1.00 13.50 O ATOM 1276 OE2 GLU A 75 -17.830 7.477 -4.449 1.00 24.14 O ATOM 0 H GLU A 75 -12.701 6.230 -4.357 1.00 24.02 H new ATOM 0 HA GLU A 75 -13.071 7.364 -2.490 1.00 51.33 H new ATOM 0 HB2 GLU A 75 -15.749 5.888 -2.556 1.00 3.12 H new ATOM 0 HB3 GLU A 75 -15.421 7.300 -1.572 1.00 3.12 H new ATOM 0 HG2 GLU A 75 -14.961 8.630 -3.649 1.00 33.13 H new ATOM 0 HG3 GLU A 75 -15.314 7.217 -4.624 1.00 33.13 H new ATOM 1283 N ILE A 76 -12.298 4.760 -1.306 1.00 72.01 N ATOM 1284 CA ILE A 76 -11.697 4.048 -0.173 1.00 0.15 C ATOM 1285 C ILE A 76 -10.612 4.956 0.420 1.00 13.33 C ATOM 1286 O ILE A 76 -9.818 5.527 -0.345 1.00 3.00 O ATOM 1287 CB ILE A 76 -11.080 2.676 -0.653 1.00 74.15 C ATOM 1288 CG1 ILE A 76 -12.195 1.770 -1.274 1.00 10.30 C ATOM 1289 CG2 ILE A 76 -10.338 1.943 0.495 1.00 25.13 C ATOM 1290 CD1 ILE A 76 -11.695 0.488 -1.926 1.00 11.11 C ATOM 0 H ILE A 76 -11.927 4.467 -2.210 1.00 72.01 H new ATOM 0 HA ILE A 76 -12.450 3.820 0.582 1.00 0.15 H new ATOM 0 HB ILE A 76 -10.338 2.893 -1.422 1.00 74.15 H new ATOM 0 HG12 ILE A 76 -12.907 1.508 -0.491 1.00 10.30 H new ATOM 0 HG13 ILE A 76 -12.740 2.350 -2.019 1.00 10.30 H new ATOM 0 HG21 ILE A 76 -9.929 1.004 0.122 1.00 25.13 H new ATOM 0 HG22 ILE A 76 -9.527 2.571 0.864 1.00 25.13 H new ATOM 0 HG23 ILE A 76 -11.036 1.738 1.307 1.00 25.13 H new ATOM 0 HD11 ILE A 76 -12.541 -0.071 -2.326 1.00 11.11 H new ATOM 0 HD12 ILE A 76 -11.008 0.735 -2.735 1.00 11.11 H new ATOM 0 HD13 ILE A 76 -11.177 -0.120 -1.184 1.00 11.11 H new ATOM 1302 N ASP A 77 -10.597 5.134 1.754 1.00 53.10 N ATOM 1303 CA ASP A 77 -9.592 5.991 2.401 1.00 23.11 C ATOM 1304 C ASP A 77 -8.214 5.349 2.278 1.00 35.15 C ATOM 1305 O ASP A 77 -7.998 4.239 2.759 1.00 1.40 O ATOM 1306 CB ASP A 77 -9.910 6.266 3.884 1.00 11.34 C ATOM 1307 CG ASP A 77 -8.850 7.187 4.528 1.00 42.22 C ATOM 1308 OD1 ASP A 77 -8.663 8.321 4.023 1.00 33.30 O ATOM 1309 OD2 ASP A 77 -8.213 6.803 5.531 1.00 70.13 O ATOM 0 H ASP A 77 -11.261 4.701 2.396 1.00 53.10 H new ATOM 0 HA ASP A 77 -9.608 6.952 1.887 1.00 23.11 H new ATOM 0 HB2 ASP A 77 -10.894 6.728 3.967 1.00 11.34 H new ATOM 0 HB3 ASP A 77 -9.954 5.323 4.429 1.00 11.34 H new ATOM 1314 N VAL A 78 -7.305 6.041 1.575 1.00 64.21 N ATOM 1315 CA VAL A 78 -5.960 5.542 1.286 1.00 21.45 C ATOM 1316 C VAL A 78 -4.895 6.608 1.604 1.00 63.11 C ATOM 1317 O VAL A 78 -5.080 7.795 1.313 1.00 20.11 O ATOM 1318 CB VAL A 78 -5.844 5.095 -0.217 1.00 62.52 C ATOM 1319 CG1 VAL A 78 -4.407 4.682 -0.567 1.00 21.42 C ATOM 1320 CG2 VAL A 78 -6.836 3.946 -0.545 1.00 22.32 C ATOM 0 H VAL A 78 -7.487 6.968 1.190 1.00 64.21 H new ATOM 0 HA VAL A 78 -5.782 4.676 1.924 1.00 21.45 H new ATOM 0 HB VAL A 78 -6.109 5.956 -0.831 1.00 62.52 H new ATOM 0 HG11 VAL A 78 -4.360 4.378 -1.613 1.00 21.42 H new ATOM 0 HG12 VAL A 78 -3.736 5.525 -0.404 1.00 21.42 H new ATOM 0 HG13 VAL A 78 -4.103 3.849 0.067 1.00 21.42 H new ATOM 0 HG21 VAL A 78 -6.730 3.661 -1.592 1.00 22.32 H new ATOM 0 HG22 VAL A 78 -6.619 3.086 0.089 1.00 22.32 H new ATOM 0 HG23 VAL A 78 -7.856 4.283 -0.363 1.00 22.32 H new ATOM 1330 N ARG A 79 -3.810 6.164 2.261 1.00 24.33 N ATOM 1331 CA ARG A 79 -2.576 6.922 2.485 1.00 70.52 C ATOM 1332 C ARG A 79 -1.560 6.428 1.438 1.00 22.33 C ATOM 1333 O ARG A 79 -1.082 5.298 1.537 1.00 23.51 O ATOM 1334 CB ARG A 79 -2.033 6.666 3.935 1.00 42.14 C ATOM 1335 CG ARG A 79 -2.640 7.511 5.084 1.00 11.40 C ATOM 1336 CD ARG A 79 -4.174 7.386 5.281 1.00 14.14 C ATOM 1337 NE ARG A 79 -4.935 8.268 4.372 1.00 74.23 N ATOM 1338 CZ ARG A 79 -5.456 9.461 4.695 1.00 11.12 C ATOM 1339 NH1 ARG A 79 -5.332 9.962 5.924 1.00 55.42 N ATOM 1340 NH2 ARG A 79 -6.105 10.159 3.767 1.00 2.23 N ATOM 0 H ARG A 79 -3.771 5.228 2.665 1.00 24.33 H new ATOM 0 HA ARG A 79 -2.751 7.993 2.387 1.00 70.52 H new ATOM 0 HB2 ARG A 79 -2.189 5.614 4.172 1.00 42.14 H new ATOM 0 HB3 ARG A 79 -0.956 6.834 3.926 1.00 42.14 H new ATOM 0 HG2 ARG A 79 -2.150 7.228 6.015 1.00 11.40 H new ATOM 0 HG3 ARG A 79 -2.401 8.559 4.904 1.00 11.40 H new ATOM 0 HD2 ARG A 79 -4.475 6.352 5.115 1.00 14.14 H new ATOM 0 HD3 ARG A 79 -4.426 7.630 6.313 1.00 14.14 H new ATOM 0 HE ARG A 79 -5.076 7.941 3.416 1.00 74.23 H new ATOM 0 HH11 ARG A 79 -4.833 9.436 6.641 1.00 55.42 H new ATOM 0 HH12 ARG A 79 -5.736 10.871 6.147 1.00 55.42 H new ATOM 0 HH21 ARG A 79 -6.202 9.786 2.823 1.00 2.23 H new ATOM 0 HH22 ARG A 79 -6.506 11.068 4.000 1.00 2.23 H new ATOM 1354 N THR A 80 -1.255 7.244 0.420 1.00 2.02 N ATOM 1355 CA THR A 80 -0.334 6.850 -0.664 1.00 43.42 C ATOM 1356 C THR A 80 0.996 7.600 -0.478 1.00 71.42 C ATOM 1357 O THR A 80 1.033 8.832 -0.581 1.00 65.34 O ATOM 1358 CB THR A 80 -0.936 7.155 -2.079 1.00 71.12 C ATOM 1359 OG1 THR A 80 -2.293 6.686 -2.142 1.00 3.14 O ATOM 1360 CG2 THR A 80 -0.130 6.486 -3.210 1.00 64.44 C ATOM 0 H THR A 80 -1.633 8.186 0.321 1.00 2.02 H new ATOM 0 HA THR A 80 -0.171 5.774 -0.610 1.00 43.42 H new ATOM 0 HB THR A 80 -0.894 8.235 -2.220 1.00 71.12 H new ATOM 0 HG1 THR A 80 -2.666 6.880 -3.027 1.00 3.14 H new ATOM 0 HG21 THR A 80 -0.584 6.725 -4.171 1.00 64.44 H new ATOM 0 HG22 THR A 80 0.896 6.853 -3.192 1.00 64.44 H new ATOM 0 HG23 THR A 80 -0.131 5.405 -3.067 1.00 64.44 H new ATOM 1368 N ARG A 81 2.077 6.860 -0.176 1.00 30.32 N ATOM 1369 CA ARG A 81 3.413 7.423 0.113 1.00 32.13 C ATOM 1370 C ARG A 81 4.434 6.843 -0.871 1.00 40.41 C ATOM 1371 O ARG A 81 4.445 5.625 -1.108 1.00 22.00 O ATOM 1372 CB ARG A 81 3.841 7.085 1.571 1.00 64.51 C ATOM 1373 CG ARG A 81 2.890 7.603 2.676 1.00 64.05 C ATOM 1374 CD ARG A 81 2.799 9.143 2.727 1.00 24.33 C ATOM 1375 NE ARG A 81 1.983 9.610 3.866 1.00 23.02 N ATOM 1376 CZ ARG A 81 1.524 10.865 4.038 1.00 72.43 C ATOM 1377 NH1 ARG A 81 1.784 11.830 3.153 1.00 61.13 N ATOM 1378 NH2 ARG A 81 0.825 11.158 5.124 1.00 31.12 N ATOM 0 H ARG A 81 2.050 5.842 -0.124 1.00 30.32 H new ATOM 0 HA ARG A 81 3.371 8.507 0.003 1.00 32.13 H new ATOM 0 HB2 ARG A 81 3.926 6.002 1.666 1.00 64.51 H new ATOM 0 HB3 ARG A 81 4.834 7.499 1.746 1.00 64.51 H new ATOM 0 HG2 ARG A 81 1.894 7.192 2.511 1.00 64.05 H new ATOM 0 HG3 ARG A 81 3.231 7.233 3.643 1.00 64.05 H new ATOM 0 HD2 ARG A 81 3.802 9.563 2.803 1.00 24.33 H new ATOM 0 HD3 ARG A 81 2.368 9.512 1.796 1.00 24.33 H new ATOM 0 HE ARG A 81 1.747 8.924 4.583 1.00 23.02 H new ATOM 0 HH11 ARG A 81 2.342 11.625 2.324 1.00 61.13 H new ATOM 0 HH12 ARG A 81 1.425 12.772 3.306 1.00 61.13 H new ATOM 0 HH21 ARG A 81 0.639 10.437 5.821 1.00 31.12 H new ATOM 0 HH22 ARG A 81 0.473 12.105 5.264 1.00 31.12 H new ATOM 1392 N LYS A 82 5.284 7.706 -1.451 1.00 23.23 N ATOM 1393 CA LYS A 82 6.365 7.275 -2.345 1.00 33.14 C ATOM 1394 C LYS A 82 7.622 6.985 -1.519 1.00 51.50 C ATOM 1395 O LYS A 82 8.141 7.869 -0.832 1.00 51.43 O ATOM 1396 CB LYS A 82 6.676 8.332 -3.436 1.00 63.34 C ATOM 1397 CG LYS A 82 7.599 7.791 -4.555 1.00 42.23 C ATOM 1398 CD LYS A 82 8.119 8.891 -5.506 1.00 14.22 C ATOM 1399 CE LYS A 82 9.147 9.823 -4.839 1.00 64.12 C ATOM 1400 NZ LYS A 82 9.701 10.817 -5.800 1.00 72.25 N ATOM 0 H LYS A 82 5.240 8.716 -1.313 1.00 23.23 H new ATOM 0 HA LYS A 82 6.037 6.370 -2.857 1.00 33.14 H new ATOM 0 HB2 LYS A 82 5.741 8.676 -3.878 1.00 63.34 H new ATOM 0 HB3 LYS A 82 7.147 9.198 -2.971 1.00 63.34 H new ATOM 0 HG2 LYS A 82 8.449 7.282 -4.100 1.00 42.23 H new ATOM 0 HG3 LYS A 82 7.055 7.046 -5.136 1.00 42.23 H new ATOM 0 HD2 LYS A 82 8.573 8.424 -6.380 1.00 14.22 H new ATOM 0 HD3 LYS A 82 7.277 9.484 -5.863 1.00 14.22 H new ATOM 0 HE2 LYS A 82 8.676 10.346 -4.007 1.00 64.12 H new ATOM 0 HE3 LYS A 82 9.960 9.228 -4.423 1.00 64.12 H new ATOM 0 HZ1 LYS A 82 10.311 11.489 -5.292 1.00 72.25 H new ATOM 0 HZ2 LYS A 82 10.259 10.324 -6.526 1.00 72.25 H new ATOM 0 HZ3 LYS A 82 8.921 11.333 -6.254 1.00 72.25 H new ATOM 1414 N VAL A 83 8.086 5.735 -1.584 1.00 1.01 N ATOM 1415 CA VAL A 83 9.289 5.259 -0.882 1.00 24.52 C ATOM 1416 C VAL A 83 10.308 4.733 -1.909 1.00 41.25 C ATOM 1417 O VAL A 83 9.926 4.167 -2.942 1.00 41.44 O ATOM 1418 CB VAL A 83 8.916 4.148 0.166 1.00 31.33 C ATOM 1419 CG1 VAL A 83 7.982 4.720 1.263 1.00 70.04 C ATOM 1420 CG2 VAL A 83 8.276 2.914 -0.519 1.00 63.33 C ATOM 0 H VAL A 83 7.630 5.008 -2.136 1.00 1.01 H new ATOM 0 HA VAL A 83 9.738 6.088 -0.336 1.00 24.52 H new ATOM 0 HB VAL A 83 9.839 3.817 0.642 1.00 31.33 H new ATOM 0 HG11 VAL A 83 7.736 3.934 1.978 1.00 70.04 H new ATOM 0 HG12 VAL A 83 8.486 5.537 1.780 1.00 70.04 H new ATOM 0 HG13 VAL A 83 7.066 5.092 0.804 1.00 70.04 H new ATOM 0 HG21 VAL A 83 8.031 2.166 0.235 1.00 63.33 H new ATOM 0 HG22 VAL A 83 7.367 3.217 -1.039 1.00 63.33 H new ATOM 0 HG23 VAL A 83 8.979 2.490 -1.236 1.00 63.33 H new ATOM 1430 N THR A 84 11.601 4.959 -1.643 1.00 55.32 N ATOM 1431 CA THR A 84 12.697 4.561 -2.556 1.00 10.44 C ATOM 1432 C THR A 84 13.686 3.583 -1.880 1.00 54.12 C ATOM 1433 O THR A 84 14.702 3.214 -2.476 1.00 55.31 O ATOM 1434 CB THR A 84 13.451 5.832 -3.083 1.00 4.01 C ATOM 1435 OG1 THR A 84 13.870 6.640 -1.971 1.00 4.02 O ATOM 1436 CG2 THR A 84 12.580 6.680 -4.032 1.00 64.41 C ATOM 0 H THR A 84 11.923 5.421 -0.793 1.00 55.32 H new ATOM 0 HA THR A 84 12.250 4.036 -3.400 1.00 10.44 H new ATOM 0 HB THR A 84 14.315 5.486 -3.650 1.00 4.01 H new ATOM 0 HG1 THR A 84 14.342 7.432 -2.302 1.00 4.02 H new ATOM 0 HG21 THR A 84 13.147 7.548 -4.369 1.00 64.41 H new ATOM 0 HG22 THR A 84 12.290 6.079 -4.894 1.00 64.41 H new ATOM 0 HG23 THR A 84 11.686 7.013 -3.505 1.00 64.41 H new ATOM 1444 N SER A 85 13.366 3.149 -0.642 1.00 44.54 N ATOM 1445 CA SER A 85 14.223 2.235 0.147 1.00 43.23 C ATOM 1446 C SER A 85 13.355 1.357 1.086 1.00 41.11 C ATOM 1447 O SER A 85 12.287 1.808 1.520 1.00 62.23 O ATOM 1448 CB SER A 85 15.264 3.047 0.955 1.00 4.55 C ATOM 1449 OG SER A 85 16.067 3.861 0.113 1.00 55.43 O ATOM 0 H SER A 85 12.508 3.421 -0.161 1.00 44.54 H new ATOM 0 HA SER A 85 14.758 1.574 -0.535 1.00 43.23 H new ATOM 0 HB2 SER A 85 14.750 3.674 1.684 1.00 4.55 H new ATOM 0 HB3 SER A 85 15.902 2.364 1.516 1.00 4.55 H new ATOM 0 HG SER A 85 16.711 4.360 0.658 1.00 55.43 H new ATOM 1455 N PRO A 86 13.786 0.075 1.376 1.00 55.22 N ATOM 1456 CA PRO A 86 13.008 -0.896 2.197 1.00 14.23 C ATOM 1457 C PRO A 86 12.545 -0.344 3.554 1.00 54.40 C ATOM 1458 O PRO A 86 11.367 -0.445 3.891 1.00 32.11 O ATOM 1459 CB PRO A 86 13.982 -2.085 2.382 1.00 31.43 C ATOM 1460 CG PRO A 86 14.877 -2.016 1.184 1.00 10.24 C ATOM 1461 CD PRO A 86 15.054 -0.541 0.888 1.00 33.10 C ATOM 0 HA PRO A 86 12.075 -1.162 1.701 1.00 14.23 H new ATOM 0 HB2 PRO A 86 14.549 -1.995 3.309 1.00 31.43 H new ATOM 0 HB3 PRO A 86 13.448 -3.034 2.426 1.00 31.43 H new ATOM 0 HG2 PRO A 86 15.836 -2.493 1.384 1.00 10.24 H new ATOM 0 HG3 PRO A 86 14.434 -2.535 0.334 1.00 10.24 H new ATOM 0 HD2 PRO A 86 15.922 -0.131 1.404 1.00 33.10 H new ATOM 0 HD3 PRO A 86 15.202 -0.362 -0.177 1.00 33.10 H new ATOM 1469 N ASP A 87 13.475 0.283 4.293 1.00 1.24 N ATOM 1470 CA ASP A 87 13.211 0.775 5.666 1.00 32.33 C ATOM 1471 C ASP A 87 12.385 2.071 5.654 1.00 30.10 C ATOM 1472 O ASP A 87 11.735 2.398 6.656 1.00 14.24 O ATOM 1473 CB ASP A 87 14.520 0.932 6.481 1.00 32.02 C ATOM 1474 CG ASP A 87 15.214 -0.411 6.752 1.00 33.20 C ATOM 1475 OD1 ASP A 87 15.945 -0.900 5.867 1.00 44.22 O ATOM 1476 OD2 ASP A 87 15.012 -0.999 7.844 1.00 34.42 O ATOM 0 H ASP A 87 14.424 0.465 3.965 1.00 1.24 H new ATOM 0 HA ASP A 87 12.611 0.018 6.171 1.00 32.33 H new ATOM 0 HB2 ASP A 87 15.203 1.587 5.940 1.00 32.02 H new ATOM 0 HB3 ASP A 87 14.296 1.419 7.430 1.00 32.02 H new ATOM 1481 N GLU A 88 12.433 2.821 4.531 1.00 51.41 N ATOM 1482 CA GLU A 88 11.519 3.963 4.292 1.00 52.13 C ATOM 1483 C GLU A 88 10.068 3.454 4.186 1.00 24.55 C ATOM 1484 O GLU A 88 9.157 4.044 4.770 1.00 61.25 O ATOM 1485 CB GLU A 88 11.914 4.750 3.005 1.00 3.40 C ATOM 1486 CG GLU A 88 13.316 5.397 3.047 1.00 74.01 C ATOM 1487 CD GLU A 88 13.484 6.505 4.113 1.00 54.04 C ATOM 1488 OE1 GLU A 88 13.769 6.193 5.285 1.00 2.24 O ATOM 1489 OE2 GLU A 88 13.352 7.700 3.780 1.00 10.24 O ATOM 0 H GLU A 88 13.096 2.656 3.774 1.00 51.41 H new ATOM 0 HA GLU A 88 11.601 4.649 5.135 1.00 52.13 H new ATOM 0 HB2 GLU A 88 11.867 4.072 2.153 1.00 3.40 H new ATOM 0 HB3 GLU A 88 11.174 5.531 2.832 1.00 3.40 H new ATOM 0 HG2 GLU A 88 14.055 4.618 3.232 1.00 74.01 H new ATOM 0 HG3 GLU A 88 13.536 5.819 2.066 1.00 74.01 H new ATOM 1496 N ALA A 89 9.875 2.337 3.446 1.00 11.35 N ATOM 1497 CA ALA A 89 8.562 1.670 3.318 1.00 12.24 C ATOM 1498 C ALA A 89 8.068 1.187 4.690 1.00 53.02 C ATOM 1499 O ALA A 89 6.935 1.467 5.083 1.00 54.43 O ATOM 1500 CB ALA A 89 8.645 0.499 2.325 1.00 61.10 C ATOM 0 H ALA A 89 10.621 1.877 2.925 1.00 11.35 H new ATOM 0 HA ALA A 89 7.844 2.393 2.932 1.00 12.24 H new ATOM 0 HB1 ALA A 89 7.669 0.021 2.244 1.00 61.10 H new ATOM 0 HB2 ALA A 89 8.948 0.872 1.347 1.00 61.10 H new ATOM 0 HB3 ALA A 89 9.377 -0.227 2.679 1.00 61.10 H new ATOM 1506 N LYS A 90 8.977 0.506 5.414 1.00 3.02 N ATOM 1507 CA LYS A 90 8.740 -0.036 6.765 1.00 2.41 C ATOM 1508 C LYS A 90 8.351 1.067 7.767 1.00 73.14 C ATOM 1509 O LYS A 90 7.543 0.830 8.671 1.00 11.35 O ATOM 1510 CB LYS A 90 10.026 -0.755 7.243 1.00 21.01 C ATOM 1511 CG LYS A 90 10.383 -2.017 6.427 1.00 63.20 C ATOM 1512 CD LYS A 90 11.800 -2.556 6.739 1.00 31.23 C ATOM 1513 CE LYS A 90 11.992 -2.969 8.205 1.00 21.24 C ATOM 1514 NZ LYS A 90 13.372 -3.452 8.470 1.00 12.14 N ATOM 0 H LYS A 90 9.917 0.313 5.068 1.00 3.02 H new ATOM 0 HA LYS A 90 7.906 -0.736 6.716 1.00 2.41 H new ATOM 0 HB2 LYS A 90 10.860 -0.055 7.194 1.00 21.01 H new ATOM 0 HB3 LYS A 90 9.906 -1.034 8.290 1.00 21.01 H new ATOM 0 HG2 LYS A 90 9.650 -2.797 6.634 1.00 63.20 H new ATOM 0 HG3 LYS A 90 10.313 -1.788 5.364 1.00 63.20 H new ATOM 0 HD2 LYS A 90 12.002 -3.415 6.099 1.00 31.23 H new ATOM 0 HD3 LYS A 90 12.534 -1.791 6.487 1.00 31.23 H new ATOM 0 HE2 LYS A 90 11.774 -2.120 8.853 1.00 21.24 H new ATOM 0 HE3 LYS A 90 11.278 -3.753 8.457 1.00 21.24 H new ATOM 0 HZ1 LYS A 90 13.450 -3.753 9.463 1.00 12.14 H new ATOM 0 HZ2 LYS A 90 13.584 -4.257 7.847 1.00 12.14 H new ATOM 0 HZ3 LYS A 90 14.050 -2.685 8.286 1.00 12.14 H new ATOM 1528 N ARG A 91 8.964 2.253 7.588 1.00 62.10 N ATOM 1529 CA ARG A 91 8.711 3.430 8.428 1.00 53.43 C ATOM 1530 C ARG A 91 7.237 3.840 8.357 1.00 24.23 C ATOM 1531 O ARG A 91 6.571 3.934 9.387 1.00 40.21 O ATOM 1532 CB ARG A 91 9.602 4.614 7.973 1.00 12.13 C ATOM 1533 CG ARG A 91 9.401 5.921 8.772 1.00 1.13 C ATOM 1534 CD ARG A 91 10.191 7.093 8.183 1.00 10.42 C ATOM 1535 NE ARG A 91 10.028 8.324 8.974 1.00 33.31 N ATOM 1536 CZ ARG A 91 9.516 9.477 8.522 1.00 5.13 C ATOM 1537 NH1 ARG A 91 9.093 9.600 7.265 1.00 14.31 N ATOM 1538 NH2 ARG A 91 9.450 10.517 9.339 1.00 2.43 N ATOM 0 H ARG A 91 9.651 2.418 6.852 1.00 62.10 H new ATOM 0 HA ARG A 91 8.954 3.170 9.458 1.00 53.43 H new ATOM 0 HB2 ARG A 91 10.647 4.314 8.051 1.00 12.13 H new ATOM 0 HB3 ARG A 91 9.405 4.815 6.920 1.00 12.13 H new ATOM 0 HG2 ARG A 91 8.341 6.173 8.790 1.00 1.13 H new ATOM 0 HG3 ARG A 91 9.708 5.762 9.806 1.00 1.13 H new ATOM 0 HD2 ARG A 91 11.248 6.830 8.136 1.00 10.42 H new ATOM 0 HD3 ARG A 91 9.862 7.274 7.160 1.00 10.42 H new ATOM 0 HE ARG A 91 10.330 8.297 9.948 1.00 33.31 H new ATOM 0 HH11 ARG A 91 9.156 8.807 6.626 1.00 14.31 H new ATOM 0 HH12 ARG A 91 8.707 10.487 6.941 1.00 14.31 H new ATOM 0 HH21 ARG A 91 9.786 10.434 10.298 1.00 2.43 H new ATOM 0 HH22 ARG A 91 9.063 11.401 9.009 1.00 2.43 H new ATOM 1552 N TRP A 92 6.735 4.063 7.127 1.00 72.13 N ATOM 1553 CA TRP A 92 5.342 4.484 6.896 1.00 20.52 C ATOM 1554 C TRP A 92 4.321 3.404 7.274 1.00 30.01 C ATOM 1555 O TRP A 92 3.177 3.735 7.547 1.00 74.14 O ATOM 1556 CB TRP A 92 5.145 4.940 5.432 1.00 71.52 C ATOM 1557 CG TRP A 92 5.910 6.200 5.113 1.00 21.00 C ATOM 1558 CD1 TRP A 92 7.100 6.309 4.456 1.00 54.21 C ATOM 1559 CD2 TRP A 92 5.540 7.537 5.482 1.00 5.34 C ATOM 1560 NE1 TRP A 92 7.488 7.620 4.394 1.00 30.51 N ATOM 1561 CE2 TRP A 92 6.547 8.394 5.010 1.00 64.41 C ATOM 1562 CE3 TRP A 92 4.446 8.088 6.159 1.00 24.23 C ATOM 1563 CZ2 TRP A 92 6.496 9.771 5.182 1.00 23.03 C ATOM 1564 CZ3 TRP A 92 4.399 9.457 6.341 1.00 71.32 C ATOM 1565 CH2 TRP A 92 5.420 10.284 5.854 1.00 72.25 C ATOM 0 H TRP A 92 7.281 3.957 6.272 1.00 72.13 H new ATOM 0 HA TRP A 92 5.157 5.330 7.558 1.00 20.52 H new ATOM 0 HB2 TRP A 92 5.466 4.144 4.760 1.00 71.52 H new ATOM 0 HB3 TRP A 92 4.084 5.106 5.246 1.00 71.52 H new ATOM 0 HD1 TRP A 92 7.656 5.480 4.044 1.00 54.21 H new ATOM 0 HE1 TRP A 92 8.343 7.964 3.957 1.00 30.51 H new ATOM 0 HE3 TRP A 92 3.654 7.456 6.532 1.00 24.23 H new ATOM 0 HZ2 TRP A 92 7.276 10.413 4.800 1.00 23.03 H new ATOM 0 HZ3 TRP A 92 3.563 9.896 6.866 1.00 71.32 H new ATOM 0 HH2 TRP A 92 5.356 11.350 6.013 1.00 72.25 H new ATOM 1576 N ILE A 93 4.736 2.122 7.268 1.00 1.34 N ATOM 1577 CA ILE A 93 3.881 0.999 7.721 1.00 11.13 C ATOM 1578 C ILE A 93 3.680 1.084 9.246 1.00 43.31 C ATOM 1579 O ILE A 93 2.558 0.919 9.755 1.00 72.33 O ATOM 1580 CB ILE A 93 4.498 -0.390 7.301 1.00 33.11 C ATOM 1581 CG1 ILE A 93 4.518 -0.514 5.746 1.00 63.15 C ATOM 1582 CG2 ILE A 93 3.749 -1.588 7.949 1.00 24.22 C ATOM 1583 CD1 ILE A 93 5.184 -1.761 5.213 1.00 51.14 C ATOM 0 H ILE A 93 5.663 1.834 6.953 1.00 1.34 H new ATOM 0 HA ILE A 93 2.908 1.078 7.236 1.00 11.13 H new ATOM 0 HB ILE A 93 5.522 -0.426 7.674 1.00 33.11 H new ATOM 0 HG12 ILE A 93 3.491 -0.484 5.381 1.00 63.15 H new ATOM 0 HG13 ILE A 93 5.028 0.357 5.334 1.00 63.15 H new ATOM 0 HG21 ILE A 93 4.211 -2.522 7.629 1.00 24.22 H new ATOM 0 HG22 ILE A 93 3.805 -1.508 9.035 1.00 24.22 H new ATOM 0 HG23 ILE A 93 2.704 -1.575 7.638 1.00 24.22 H new ATOM 0 HD11 ILE A 93 5.148 -1.756 4.124 1.00 51.14 H new ATOM 0 HD12 ILE A 93 6.223 -1.787 5.541 1.00 51.14 H new ATOM 0 HD13 ILE A 93 4.662 -2.641 5.589 1.00 51.14 H new ATOM 1595 N LYS A 94 4.787 1.373 9.960 1.00 61.22 N ATOM 1596 CA LYS A 94 4.783 1.616 11.410 1.00 45.13 C ATOM 1597 C LYS A 94 3.922 2.851 11.748 1.00 22.21 C ATOM 1598 O LYS A 94 3.119 2.822 12.679 1.00 41.54 O ATOM 1599 CB LYS A 94 6.237 1.809 11.910 1.00 30.14 C ATOM 1600 CG LYS A 94 6.383 1.921 13.441 1.00 14.34 C ATOM 1601 CD LYS A 94 7.856 2.082 13.883 1.00 34.25 C ATOM 1602 CE LYS A 94 8.038 1.982 15.404 1.00 63.34 C ATOM 1603 NZ LYS A 94 7.640 0.645 15.923 1.00 74.31 N ATOM 0 H LYS A 94 5.714 1.444 9.540 1.00 61.22 H new ATOM 0 HA LYS A 94 4.348 0.753 11.915 1.00 45.13 H new ATOM 0 HB2 LYS A 94 6.841 0.971 11.562 1.00 30.14 H new ATOM 0 HB3 LYS A 94 6.647 2.709 11.453 1.00 30.14 H new ATOM 0 HG2 LYS A 94 5.805 2.774 13.797 1.00 14.34 H new ATOM 0 HG3 LYS A 94 5.961 1.032 13.909 1.00 14.34 H new ATOM 0 HD2 LYS A 94 8.461 1.316 13.399 1.00 34.25 H new ATOM 0 HD3 LYS A 94 8.229 3.047 13.540 1.00 34.25 H new ATOM 0 HE2 LYS A 94 9.080 2.175 15.659 1.00 63.34 H new ATOM 0 HE3 LYS A 94 7.443 2.753 15.893 1.00 63.34 H new ATOM 0 HZ1 LYS A 94 7.978 0.538 16.901 1.00 74.31 H new ATOM 0 HZ2 LYS A 94 6.604 0.559 15.903 1.00 74.31 H new ATOM 0 HZ3 LYS A 94 8.060 -0.097 15.328 1.00 74.31 H new ATOM 1617 N GLU A 95 4.077 3.919 10.947 1.00 30.43 N ATOM 1618 CA GLU A 95 3.350 5.184 11.151 1.00 14.32 C ATOM 1619 C GLU A 95 1.868 5.052 10.755 1.00 15.30 C ATOM 1620 O GLU A 95 1.031 5.752 11.308 1.00 22.11 O ATOM 1621 CB GLU A 95 4.016 6.349 10.371 1.00 2.24 C ATOM 1622 CG GLU A 95 5.470 6.663 10.805 1.00 11.31 C ATOM 1623 CD GLU A 95 5.943 8.054 10.348 1.00 75.45 C ATOM 1624 OE1 GLU A 95 6.317 8.214 9.165 1.00 70.52 O ATOM 1625 OE2 GLU A 95 5.903 9.008 11.171 1.00 20.52 O ATOM 0 H GLU A 95 4.706 3.930 10.144 1.00 30.43 H new ATOM 0 HA GLU A 95 3.397 5.414 12.215 1.00 14.32 H new ATOM 0 HB2 GLU A 95 4.011 6.108 9.308 1.00 2.24 H new ATOM 0 HB3 GLU A 95 3.411 7.247 10.497 1.00 2.24 H new ATOM 0 HG2 GLU A 95 5.542 6.599 11.891 1.00 11.31 H new ATOM 0 HG3 GLU A 95 6.138 5.905 10.396 1.00 11.31 H new ATOM 1632 N PHE A 96 1.563 4.148 9.806 1.00 24.53 N ATOM 1633 CA PHE A 96 0.189 3.938 9.295 1.00 25.14 C ATOM 1634 C PHE A 96 -0.700 3.246 10.338 1.00 44.45 C ATOM 1635 O PHE A 96 -1.879 3.583 10.467 1.00 45.51 O ATOM 1636 CB PHE A 96 0.222 3.115 7.992 1.00 41.44 C ATOM 1637 CG PHE A 96 -1.145 2.727 7.446 1.00 63.45 C ATOM 1638 CD1 PHE A 96 -2.002 3.691 6.910 1.00 41.31 C ATOM 1639 CD2 PHE A 96 -1.577 1.399 7.480 1.00 55.32 C ATOM 1640 CE1 PHE A 96 -3.239 3.329 6.425 1.00 20.34 C ATOM 1641 CE2 PHE A 96 -2.808 1.045 6.994 1.00 21.20 C ATOM 1642 CZ PHE A 96 -3.637 2.007 6.473 1.00 14.04 C ATOM 0 H PHE A 96 2.258 3.542 9.370 1.00 24.53 H new ATOM 0 HA PHE A 96 -0.241 4.918 9.087 1.00 25.14 H new ATOM 0 HB2 PHE A 96 0.752 3.687 7.231 1.00 41.44 H new ATOM 0 HB3 PHE A 96 0.799 2.207 8.167 1.00 41.44 H new ATOM 0 HD1 PHE A 96 -1.693 4.725 6.876 1.00 41.31 H new ATOM 0 HD2 PHE A 96 -0.931 0.640 7.896 1.00 55.32 H new ATOM 0 HE1 PHE A 96 -3.897 4.077 6.008 1.00 20.34 H new ATOM 0 HE2 PHE A 96 -3.125 0.013 7.021 1.00 21.20 H new ATOM 0 HZ PHE A 96 -4.610 1.728 6.097 1.00 14.04 H new ATOM 1652 N SER A 97 -0.136 2.251 11.035 1.00 52.25 N ATOM 1653 CA SER A 97 -0.814 1.598 12.167 1.00 64.44 C ATOM 1654 C SER A 97 -1.094 2.620 13.299 1.00 63.43 C ATOM 1655 O SER A 97 -2.069 2.473 14.049 1.00 62.20 O ATOM 1656 CB SER A 97 0.011 0.379 12.645 1.00 62.34 C ATOM 1657 OG SER A 97 1.402 0.657 12.646 1.00 52.41 O ATOM 0 H SER A 97 0.792 1.878 10.835 1.00 52.25 H new ATOM 0 HA SER A 97 -1.785 1.222 11.845 1.00 64.44 H new ATOM 0 HB2 SER A 97 -0.305 0.097 13.649 1.00 62.34 H new ATOM 0 HB3 SER A 97 -0.190 -0.474 11.996 1.00 62.34 H new ATOM 0 HG SER A 97 1.543 1.620 12.757 1.00 52.41 H new