USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot -79:sc= 0.768 USER MOD Set 1.2: A 71 MET CE :methyl 156:sc= -0.0883 (180deg=-2.13) USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0617 (180deg=0) USER MOD Single : A 4 SER OG : rot 92:sc= 0.384 USER MOD Single : A 5 MET CE :methyl -172:sc= -0.966 (180deg=-1.01) USER MOD Single : A 7 ASN : amide:sc= -2.29! C(o=-2.3!,f=-3.4!) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 0.831 (180deg=0.133) USER MOD Single : A 18 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.053) USER MOD Single : A 21 TYR OH : rot 120:sc= -0.0368 USER MOD Single : A 42 THR OG1 : rot 178:sc= -0.85 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.0948 (180deg=-0.553) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.12) USER MOD Single : A 58 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-7!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 159:sc= -0.216 (180deg=-0.883) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -3.36! K(o=-3.4!,f=-0.46) USER MOD Single : A 108 SER OG : rot 180:sc= -0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.779 0.935 -5.965 1.00 73.34 N ATOM 2 CA GLY A 1 9.512 -0.457 -5.535 1.00 62.13 C ATOM 3 C GLY A 1 9.586 -0.613 -4.029 1.00 61.10 C ATOM 4 O GLY A 1 10.192 0.222 -3.351 1.00 24.12 O ATOM 0 H1 GLY A 1 8.880 1.406 -6.194 1.00 73.34 H new ATOM 0 H2 GLY A 1 10.255 1.450 -5.197 1.00 73.34 H new ATOM 0 H3 GLY A 1 10.390 0.927 -6.807 1.00 73.34 H new ATOM 0 HA2 GLY A 1 8.524 -0.760 -5.882 1.00 62.13 H new ATOM 0 HA3 GLY A 1 10.234 -1.126 -6.004 1.00 62.13 H new ATOM 10 N PRO A 2 8.962 -1.665 -3.470 1.00 54.02 N ATOM 11 CA PRO A 2 8.992 -1.935 -2.035 1.00 54.14 C ATOM 12 C PRO A 2 10.235 -2.729 -1.620 1.00 12.11 C ATOM 13 O PRO A 2 10.567 -3.747 -2.231 1.00 30.53 O ATOM 14 CB PRO A 2 7.720 -2.758 -1.824 1.00 64.44 C ATOM 15 CG PRO A 2 7.545 -3.517 -3.100 1.00 74.42 C ATOM 16 CD PRO A 2 8.158 -2.673 -4.197 1.00 51.33 C ATOM 0 HA PRO A 2 9.035 -1.025 -1.436 1.00 54.14 H new ATOM 0 HB2 PRO A 2 7.820 -3.432 -0.973 1.00 64.44 H new ATOM 0 HB3 PRO A 2 6.862 -2.117 -1.623 1.00 64.44 H new ATOM 0 HG2 PRO A 2 8.034 -4.490 -3.042 1.00 74.42 H new ATOM 0 HG3 PRO A 2 6.489 -3.702 -3.298 1.00 74.42 H new ATOM 0 HD2 PRO A 2 8.778 -3.273 -4.862 1.00 51.33 H new ATOM 0 HD3 PRO A 2 7.392 -2.203 -4.813 1.00 51.33 H new ATOM 24 N GLY A 3 10.918 -2.259 -0.580 1.00 32.55 N ATOM 25 CA GLY A 3 12.105 -2.937 -0.093 1.00 61.02 C ATOM 26 C GLY A 3 11.765 -4.070 0.857 1.00 31.51 C ATOM 27 O GLY A 3 11.711 -3.873 2.073 1.00 24.10 O ATOM 0 H GLY A 3 10.668 -1.416 -0.064 1.00 32.55 H new ATOM 0 HA2 GLY A 3 12.670 -3.330 -0.938 1.00 61.02 H new ATOM 0 HA3 GLY A 3 12.749 -2.219 0.415 1.00 61.02 H new ATOM 31 N SER A 4 11.524 -5.254 0.306 1.00 41.20 N ATOM 32 CA SER A 4 11.171 -6.419 1.104 1.00 34.13 C ATOM 33 C SER A 4 12.403 -6.989 1.809 1.00 22.30 C ATOM 34 O SER A 4 13.518 -6.916 1.284 1.00 41.31 O ATOM 35 CB SER A 4 10.533 -7.488 0.207 1.00 5.34 C ATOM 36 OG SER A 4 11.358 -7.774 -0.912 1.00 55.43 O ATOM 0 H SER A 4 11.567 -5.432 -0.697 1.00 41.20 H new ATOM 0 HA SER A 4 10.454 -6.114 1.866 1.00 34.13 H new ATOM 0 HB2 SER A 4 10.367 -8.399 0.783 1.00 5.34 H new ATOM 0 HB3 SER A 4 9.557 -7.145 -0.135 1.00 5.34 H new ATOM 0 HG SER A 4 11.959 -8.517 -0.694 1.00 55.43 H new ATOM 42 N MET A 5 12.198 -7.540 3.005 1.00 64.41 N ATOM 43 CA MET A 5 13.275 -8.202 3.738 1.00 24.34 C ATOM 44 C MET A 5 13.651 -9.500 3.032 1.00 51.43 C ATOM 45 O MET A 5 14.830 -9.840 2.907 1.00 54.22 O ATOM 46 CB MET A 5 12.849 -8.468 5.195 1.00 2.21 C ATOM 47 CG MET A 5 13.901 -9.190 6.039 1.00 62.13 C ATOM 48 SD MET A 5 13.970 -10.970 5.734 1.00 65.44 S ATOM 49 CE MET A 5 12.370 -11.490 6.352 1.00 30.13 C ATOM 0 H MET A 5 11.298 -7.541 3.485 1.00 64.41 H new ATOM 0 HA MET A 5 14.149 -7.551 3.760 1.00 24.34 H new ATOM 0 HB2 MET A 5 12.610 -7.517 5.670 1.00 2.21 H new ATOM 0 HB3 MET A 5 11.934 -9.061 5.191 1.00 2.21 H new ATOM 0 HG2 MET A 5 14.880 -8.756 5.835 1.00 62.13 H new ATOM 0 HG3 MET A 5 13.690 -9.018 7.094 1.00 62.13 H new ATOM 0 HE1 MET A 5 12.321 -12.579 6.363 1.00 30.13 H new ATOM 0 HE2 MET A 5 12.230 -11.110 7.364 1.00 30.13 H new ATOM 0 HE3 MET A 5 11.585 -11.098 5.705 1.00 30.13 H new ATOM 59 N VAL A 6 12.637 -10.203 2.547 1.00 42.23 N ATOM 60 CA VAL A 6 12.836 -11.446 1.811 1.00 64.21 C ATOM 61 C VAL A 6 13.268 -11.183 0.368 1.00 41.01 C ATOM 62 O VAL A 6 13.210 -10.053 -0.125 1.00 75.33 O ATOM 63 CB VAL A 6 11.549 -12.309 1.799 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.252 -12.863 3.188 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.365 -11.493 1.279 1.00 11.52 C ATOM 0 H VAL A 6 11.659 -9.931 2.651 1.00 42.23 H new ATOM 0 HA VAL A 6 13.628 -11.987 2.328 1.00 64.21 H new ATOM 0 HB VAL A 6 11.710 -13.153 1.128 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.344 -13.465 3.153 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.086 -13.482 3.519 1.00 60.22 H new ATOM 0 HG13 VAL A 6 11.114 -12.038 3.887 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.469 -12.113 1.277 1.00 11.52 H new ATOM 0 HG22 VAL A 6 10.207 -10.629 1.925 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.574 -11.154 0.264 1.00 11.52 H new ATOM 75 N ASN A 7 13.694 -12.252 -0.295 1.00 53.22 N ATOM 76 CA ASN A 7 14.118 -12.205 -1.696 1.00 71.21 C ATOM 77 C ASN A 7 12.943 -11.881 -2.618 1.00 44.52 C ATOM 78 O ASN A 7 11.789 -12.089 -2.250 1.00 33.22 O ATOM 79 CB ASN A 7 14.740 -13.554 -2.084 1.00 54.12 C ATOM 80 CG ASN A 7 16.201 -13.667 -1.692 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.940 -12.686 -1.719 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.623 -14.861 -1.300 1.00 52.12 N ATOM 0 H ASN A 7 13.757 -13.181 0.122 1.00 53.22 H new ATOM 0 HA ASN A 7 14.858 -11.413 -1.810 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.178 -14.357 -1.607 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.646 -13.695 -3.161 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.592 -14.989 -1.007 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.979 -15.652 -1.291 1.00 52.12 H new ATOM 89 N ALA A 8 13.252 -11.402 -3.827 1.00 60.32 N ATOM 90 CA ALA A 8 12.231 -10.989 -4.799 1.00 3.34 C ATOM 91 C ALA A 8 11.184 -12.085 -5.028 1.00 60.24 C ATOM 92 O ALA A 8 9.982 -11.826 -4.947 1.00 14.22 O ATOM 93 CB ALA A 8 12.886 -10.596 -6.119 1.00 31.02 C ATOM 0 H ALA A 8 14.210 -11.290 -4.159 1.00 60.32 H new ATOM 0 HA ALA A 8 11.714 -10.124 -4.385 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.118 -10.292 -6.830 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.574 -9.767 -5.951 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.435 -11.448 -6.520 1.00 31.02 H new ATOM 99 N PHE A 9 11.648 -13.307 -5.310 1.00 32.01 N ATOM 100 CA PHE A 9 10.754 -14.454 -5.482 1.00 51.44 C ATOM 101 C PHE A 9 9.796 -14.561 -4.295 1.00 64.40 C ATOM 102 O PHE A 9 8.580 -14.656 -4.463 1.00 61.22 O ATOM 103 CB PHE A 9 11.586 -15.745 -5.611 1.00 13.33 C ATOM 104 CG PHE A 9 10.777 -17.003 -5.808 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.339 -17.748 -4.723 1.00 60.44 C ATOM 106 CD2 PHE A 9 10.464 -17.445 -7.080 1.00 74.23 C ATOM 107 CE1 PHE A 9 9.608 -18.902 -4.907 1.00 44.20 C ATOM 108 CE2 PHE A 9 9.731 -18.601 -7.270 1.00 51.30 C ATOM 109 CZ PHE A 9 9.302 -19.330 -6.181 1.00 62.30 C ATOM 0 H PHE A 9 12.638 -13.526 -5.424 1.00 32.01 H new ATOM 0 HA PHE A 9 10.167 -14.315 -6.390 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.272 -15.636 -6.451 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.196 -15.859 -4.715 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.574 -17.420 -3.721 1.00 60.44 H new ATOM 0 HD2 PHE A 9 10.797 -16.879 -7.937 1.00 74.23 H new ATOM 0 HE1 PHE A 9 9.275 -19.471 -4.052 1.00 44.20 H new ATOM 0 HE2 PHE A 9 9.494 -18.933 -8.270 1.00 51.30 H new ATOM 0 HZ PHE A 9 8.728 -20.233 -6.326 1.00 62.30 H new ATOM 119 N LEU A 10 10.365 -14.487 -3.098 1.00 11.31 N ATOM 120 CA LEU A 10 9.614 -14.641 -1.857 1.00 65.43 C ATOM 121 C LEU A 10 8.580 -13.527 -1.700 1.00 12.34 C ATOM 122 O LEU A 10 7.426 -13.780 -1.350 1.00 22.41 O ATOM 123 CB LEU A 10 10.575 -14.651 -0.659 1.00 53.03 C ATOM 124 CG LEU A 10 11.373 -15.950 -0.451 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.428 -17.090 -0.100 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.203 -16.306 -1.683 1.00 5.43 C ATOM 0 H LEU A 10 11.361 -14.318 -2.960 1.00 11.31 H new ATOM 0 HA LEU A 10 9.082 -15.591 -1.894 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.280 -13.828 -0.776 1.00 53.03 H new ATOM 0 HB3 LEU A 10 10.000 -14.451 0.245 1.00 53.03 H new ATOM 0 HG LEU A 10 12.066 -15.790 0.375 1.00 71.33 H new ATOM 0 HD11 LEU A 10 11.001 -18.006 0.046 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.891 -16.848 0.817 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.714 -17.234 -0.911 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.752 -17.229 -1.497 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.543 -16.442 -2.539 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.907 -15.501 -1.892 1.00 5.43 H new ATOM 138 N ALA A 11 9.009 -12.296 -1.963 1.00 51.23 N ATOM 139 CA ALA A 11 8.132 -11.134 -1.870 1.00 43.20 C ATOM 140 C ALA A 11 6.939 -11.284 -2.806 1.00 60.02 C ATOM 141 O ALA A 11 5.805 -10.956 -2.450 1.00 21.33 O ATOM 142 CB ALA A 11 8.909 -9.858 -2.190 1.00 15.33 C ATOM 0 H ALA A 11 9.965 -12.077 -2.244 1.00 51.23 H new ATOM 0 HA ALA A 11 7.756 -11.065 -0.849 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.243 -8.998 -2.117 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.728 -9.743 -1.480 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.311 -9.921 -3.201 1.00 15.33 H new ATOM 148 N LYS A 12 7.204 -11.806 -4.000 1.00 75.22 N ATOM 149 CA LYS A 12 6.162 -11.987 -5.002 1.00 3.03 C ATOM 150 C LYS A 12 5.229 -13.129 -4.595 1.00 75.15 C ATOM 151 O LYS A 12 4.033 -13.088 -4.881 1.00 72.25 O ATOM 152 CB LYS A 12 6.781 -12.240 -6.388 1.00 62.31 C ATOM 153 CG LYS A 12 5.772 -12.181 -7.536 1.00 64.45 C ATOM 154 CD LYS A 12 6.452 -12.140 -8.904 1.00 25.11 C ATOM 155 CE LYS A 12 7.260 -13.398 -9.184 1.00 55.23 C ATOM 156 NZ LYS A 12 7.931 -13.355 -10.512 1.00 30.21 N ATOM 0 H LYS A 12 8.131 -12.111 -4.296 1.00 75.22 H new ATOM 0 HA LYS A 12 5.572 -11.073 -5.064 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.563 -11.502 -6.566 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.260 -13.219 -6.388 1.00 62.31 H new ATOM 0 HG2 LYS A 12 5.116 -13.050 -7.485 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.143 -11.299 -7.419 1.00 64.45 H new ATOM 0 HD2 LYS A 12 5.696 -12.016 -9.680 1.00 25.11 H new ATOM 0 HD3 LYS A 12 7.107 -11.271 -8.956 1.00 25.11 H new ATOM 0 HE2 LYS A 12 8.011 -13.526 -8.404 1.00 55.23 H new ATOM 0 HE3 LYS A 12 6.603 -14.267 -9.139 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 8.671 -14.084 -10.551 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 7.231 -13.532 -11.261 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 8.360 -12.418 -10.654 1.00 30.21 H new ATOM 170 N ILE A 13 5.778 -14.147 -3.920 1.00 44.14 N ATOM 171 CA ILE A 13 4.960 -15.235 -3.369 1.00 31.13 C ATOM 172 C ILE A 13 3.987 -14.682 -2.327 1.00 54.15 C ATOM 173 O ILE A 13 2.777 -14.906 -2.406 1.00 11.24 O ATOM 174 CB ILE A 13 5.825 -16.342 -2.698 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.763 -17.010 -3.716 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.939 -17.392 -2.022 1.00 34.00 C ATOM 177 CD1 ILE A 13 6.051 -17.807 -4.786 1.00 1.42 C ATOM 0 H ILE A 13 6.778 -14.240 -3.743 1.00 44.14 H new ATOM 0 HA ILE A 13 4.420 -15.679 -4.205 1.00 31.13 H new ATOM 0 HB ILE A 13 6.438 -15.863 -1.935 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.368 -16.240 -4.195 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.448 -17.669 -3.183 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.566 -18.155 -1.560 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.327 -16.914 -1.257 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.292 -17.856 -2.767 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.785 -18.245 -5.463 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.468 -18.601 -4.320 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.387 -17.150 -5.347 1.00 1.42 H new ATOM 189 N ALA A 14 4.535 -13.951 -1.360 1.00 10.43 N ATOM 190 CA ALA A 14 3.748 -13.375 -0.278 1.00 65.03 C ATOM 191 C ALA A 14 2.660 -12.452 -0.823 1.00 45.24 C ATOM 192 O ALA A 14 1.509 -12.505 -0.384 1.00 22.51 O ATOM 193 CB ALA A 14 4.657 -12.624 0.689 1.00 21.21 C ATOM 0 H ALA A 14 5.532 -13.743 -1.306 1.00 10.43 H new ATOM 0 HA ALA A 14 3.258 -14.186 0.260 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.059 -12.197 1.494 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.391 -13.313 1.108 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.173 -11.824 0.157 1.00 21.21 H new ATOM 199 N ALA A 15 3.027 -11.620 -1.795 1.00 74.24 N ATOM 200 CA ALA A 15 2.085 -10.681 -2.401 1.00 32.11 C ATOM 201 C ALA A 15 0.996 -11.424 -3.172 1.00 51.43 C ATOM 202 O ALA A 15 -0.187 -11.106 -3.055 1.00 74.42 O ATOM 203 CB ALA A 15 2.820 -9.702 -3.316 1.00 53.00 C ATOM 0 H ALA A 15 3.970 -11.577 -2.180 1.00 74.24 H new ATOM 0 HA ALA A 15 1.607 -10.115 -1.602 1.00 32.11 H new ATOM 0 HB1 ALA A 15 2.104 -9.010 -3.759 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.554 -9.143 -2.736 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.328 -10.254 -4.107 1.00 53.00 H new ATOM 209 N TRP A 16 1.414 -12.414 -3.952 1.00 42.31 N ATOM 210 CA TRP A 16 0.504 -13.250 -4.736 1.00 14.44 C ATOM 211 C TRP A 16 -0.519 -13.940 -3.830 1.00 61.31 C ATOM 212 O TRP A 16 -1.724 -13.919 -4.102 1.00 4.24 O ATOM 213 CB TRP A 16 1.335 -14.274 -5.533 1.00 24.40 C ATOM 214 CG TRP A 16 0.612 -15.529 -5.934 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.313 -15.679 -6.928 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.790 -16.827 -5.352 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.720 -16.989 -6.996 1.00 3.11 N ATOM 218 CE2 TRP A 16 -0.057 -17.715 -6.036 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.590 -17.322 -4.319 1.00 71.50 C ATOM 220 CZ2 TRP A 16 -0.130 -19.069 -5.712 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.516 -18.664 -3.999 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.662 -19.524 -4.696 1.00 12.14 C ATOM 0 H TRP A 16 2.397 -12.663 -4.061 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.059 -12.629 -5.433 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.709 -13.788 -6.434 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.204 -14.552 -4.937 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.671 -14.885 -7.566 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.404 -17.363 -7.653 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.256 -16.666 -3.779 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.790 -19.736 -6.246 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.127 -19.055 -3.199 1.00 2.41 H new ATOM 0 HH2 TRP A 16 0.628 -20.569 -4.426 1.00 12.14 H new ATOM 233 N LEU A 17 -0.033 -14.530 -2.746 1.00 61.21 N ATOM 234 CA LEU A 17 -0.891 -15.222 -1.788 1.00 62.45 C ATOM 235 C LEU A 17 -1.823 -14.248 -1.078 1.00 2.03 C ATOM 236 O LEU A 17 -3.032 -14.470 -1.014 1.00 1.20 O ATOM 237 CB LEU A 17 -0.035 -15.999 -0.775 1.00 54.03 C ATOM 238 CG LEU A 17 0.082 -17.504 -1.065 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.148 -18.157 -0.193 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.272 -18.181 -0.863 1.00 20.20 C ATOM 0 H LEU A 17 0.958 -14.544 -2.505 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.512 -15.931 -2.335 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.965 -15.566 -0.755 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.460 -15.865 0.220 1.00 54.03 H new ATOM 0 HG LEU A 17 0.388 -17.629 -2.104 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.205 -19.221 -0.423 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.114 -17.691 -0.389 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.889 -18.027 0.858 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.180 -19.247 -1.071 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.600 -18.039 0.167 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.003 -17.741 -1.541 1.00 20.20 H new ATOM 252 N ASN A 18 -1.264 -13.160 -0.560 1.00 65.13 N ATOM 253 CA ASN A 18 -2.048 -12.171 0.177 1.00 45.11 C ATOM 254 C ASN A 18 -3.029 -11.455 -0.756 1.00 52.24 C ATOM 255 O ASN A 18 -4.026 -10.889 -0.311 1.00 12.31 O ATOM 256 CB ASN A 18 -1.121 -11.162 0.875 1.00 44.01 C ATOM 257 CG ASN A 18 -1.859 -10.138 1.735 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.403 -9.003 1.885 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.985 -10.528 2.321 1.00 62.40 N ATOM 0 H ASN A 18 -0.271 -12.939 -0.636 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.626 -12.689 0.942 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.414 -11.706 1.501 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.538 -10.635 0.119 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.501 -9.880 2.917 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.334 -11.475 2.175 1.00 62.40 H new ATOM 266 N ALA A 19 -2.739 -11.490 -2.057 1.00 61.24 N ATOM 267 CA ALA A 19 -3.651 -10.951 -3.063 1.00 24.21 C ATOM 268 C ALA A 19 -4.857 -11.868 -3.222 1.00 11.54 C ATOM 269 O ALA A 19 -5.978 -11.412 -3.454 1.00 11.42 O ATOM 270 CB ALA A 19 -2.939 -10.775 -4.400 1.00 61.32 C ATOM 0 H ALA A 19 -1.880 -11.886 -2.438 1.00 61.24 H new ATOM 0 HA ALA A 19 -3.994 -9.972 -2.728 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.637 -10.373 -5.134 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.103 -10.086 -4.279 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.567 -11.740 -4.744 1.00 61.32 H new ATOM 276 N GLY A 20 -4.610 -13.171 -3.097 1.00 74.52 N ATOM 277 CA GLY A 20 -5.674 -14.154 -3.193 1.00 23.12 C ATOM 278 C GLY A 20 -6.429 -14.298 -1.888 1.00 55.43 C ATOM 279 O GLY A 20 -7.619 -14.615 -1.883 1.00 43.31 O ATOM 0 H GLY A 20 -3.684 -13.564 -2.930 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.367 -13.863 -3.983 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.253 -15.118 -3.477 1.00 23.12 H new ATOM 283 N TYR A 21 -5.735 -14.058 -0.780 1.00 62.21 N ATOM 284 CA TYR A 21 -6.329 -14.185 0.548 1.00 10.20 C ATOM 285 C TYR A 21 -5.952 -13.001 1.438 1.00 4.45 C ATOM 286 O TYR A 21 -4.984 -13.072 2.198 1.00 64.21 O ATOM 287 CB TYR A 21 -5.877 -15.484 1.224 1.00 61.50 C ATOM 288 CG TYR A 21 -6.301 -16.752 0.508 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.605 -17.223 0.599 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.386 -17.494 -0.235 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.986 -18.389 -0.031 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.765 -18.660 -0.867 1.00 2.43 C ATOM 293 CZ TYR A 21 -7.063 -19.104 -0.761 1.00 65.41 C ATOM 294 OH TYR A 21 -7.441 -20.263 -1.397 1.00 73.14 O ATOM 0 H TYR A 21 -4.756 -13.773 -0.775 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.411 -14.201 0.418 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.790 -15.476 1.306 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.273 -15.506 2.239 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.332 -16.667 1.172 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.365 -17.151 -0.317 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -9.004 -18.740 0.048 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -5.045 -19.223 -1.443 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.292 -20.170 -2.361 1.00 73.14 H new ATOM 304 N PRO A 22 -6.691 -11.883 1.340 1.00 33.03 N ATOM 305 CA PRO A 22 -6.516 -10.750 2.254 1.00 62.52 C ATOM 306 C PRO A 22 -7.174 -11.022 3.608 1.00 1.51 C ATOM 307 O PRO A 22 -6.803 -10.443 4.631 1.00 55.41 O ATOM 308 CB PRO A 22 -7.217 -9.600 1.518 1.00 44.14 C ATOM 309 CG PRO A 22 -8.275 -10.267 0.701 1.00 13.52 C ATOM 310 CD PRO A 22 -7.730 -11.621 0.319 1.00 34.34 C ATOM 0 HA PRO A 22 -5.470 -10.541 2.480 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.649 -8.885 2.219 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.519 -9.048 0.889 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.199 -10.367 1.270 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.509 -9.678 -0.186 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.508 -12.384 0.334 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.310 -11.614 -0.687 1.00 34.34 H new ATOM 318 N GLU A 23 -8.142 -11.935 3.598 1.00 61.20 N ATOM 319 CA GLU A 23 -8.907 -12.293 4.793 1.00 14.11 C ATOM 320 C GLU A 23 -8.443 -13.633 5.366 1.00 1.14 C ATOM 321 O GLU A 23 -9.016 -14.137 6.335 1.00 3.25 O ATOM 322 CB GLU A 23 -10.401 -12.354 4.451 1.00 54.54 C ATOM 323 CG GLU A 23 -10.735 -13.340 3.336 1.00 45.01 C ATOM 324 CD GLU A 23 -12.212 -13.352 2.986 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.974 -14.113 3.618 1.00 44.43 O ATOM 326 OE2 GLU A 23 -12.618 -12.596 2.080 1.00 54.44 O ATOM 0 H GLU A 23 -8.419 -12.449 2.762 1.00 61.20 H new ATOM 0 HA GLU A 23 -8.738 -11.528 5.551 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.959 -12.629 5.346 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.739 -11.360 4.158 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -10.157 -13.086 2.447 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.430 -14.342 3.639 1.00 45.01 H new ATOM 333 N GLY A 24 -7.403 -14.206 4.768 1.00 55.34 N ATOM 334 CA GLY A 24 -6.877 -15.483 5.233 1.00 5.42 C ATOM 335 C GLY A 24 -7.384 -16.656 4.412 1.00 72.15 C ATOM 336 O GLY A 24 -8.329 -16.512 3.634 1.00 1.40 O ATOM 0 H GLY A 24 -6.912 -13.810 3.967 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.788 -15.460 5.193 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -7.155 -15.628 6.277 1.00 5.42 H new ATOM 340 N VAL A 25 -6.756 -17.817 4.591 1.00 31.52 N ATOM 341 CA VAL A 25 -7.103 -19.019 3.833 1.00 42.05 C ATOM 342 C VAL A 25 -7.822 -20.022 4.743 1.00 51.00 C ATOM 343 O VAL A 25 -7.382 -20.244 5.872 1.00 41.02 O ATOM 344 CB VAL A 25 -5.832 -19.704 3.252 1.00 71.20 C ATOM 345 CG1 VAL A 25 -6.174 -20.645 2.103 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.773 -18.682 2.847 1.00 50.32 C ATOM 0 H VAL A 25 -5.998 -17.951 5.260 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.753 -18.716 3.012 1.00 42.05 H new ATOM 0 HB VAL A 25 -5.403 -20.311 4.049 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -5.261 -21.104 1.724 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.850 -21.422 2.458 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.656 -20.083 1.303 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.902 -19.200 2.446 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -5.181 -18.017 2.086 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.479 -18.098 3.719 1.00 50.32 H new ATOM 356 N PRO A 26 -8.938 -20.627 4.289 1.00 73.25 N ATOM 357 CA PRO A 26 -9.601 -21.700 5.040 1.00 54.21 C ATOM 358 C PRO A 26 -8.779 -22.993 5.001 1.00 64.34 C ATOM 359 O PRO A 26 -7.978 -23.189 4.091 1.00 2.12 O ATOM 360 CB PRO A 26 -10.943 -21.874 4.315 1.00 23.03 C ATOM 361 CG PRO A 26 -10.691 -21.396 2.925 1.00 64.34 C ATOM 362 CD PRO A 26 -9.646 -20.311 3.029 1.00 63.21 C ATOM 0 HA PRO A 26 -9.720 -21.463 6.097 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -11.264 -22.915 4.323 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.730 -21.294 4.796 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.342 -22.211 2.291 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.606 -21.012 2.475 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.969 -20.324 2.175 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -10.099 -19.320 3.062 1.00 63.21 H new ATOM 370 N GLY A 27 -9.002 -23.874 5.976 1.00 3.45 N ATOM 371 CA GLY A 27 -8.236 -25.112 6.093 1.00 3.53 C ATOM 372 C GLY A 27 -8.163 -25.927 4.800 1.00 40.15 C ATOM 373 O GLY A 27 -7.054 -26.275 4.346 1.00 54.14 O ATOM 0 H GLY A 27 -9.711 -23.751 6.699 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -7.223 -24.871 6.415 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.680 -25.729 6.874 1.00 3.53 H new ATOM 377 N PRO A 28 -9.325 -26.226 4.162 1.00 4.10 N ATOM 378 CA PRO A 28 -9.378 -27.074 2.958 1.00 31.40 C ATOM 379 C PRO A 28 -8.714 -26.414 1.752 1.00 1.42 C ATOM 380 O PRO A 28 -8.605 -27.024 0.689 1.00 5.10 O ATOM 381 CB PRO A 28 -10.880 -27.265 2.711 1.00 12.20 C ATOM 382 CG PRO A 28 -11.516 -26.075 3.340 1.00 51.25 C ATOM 383 CD PRO A 28 -10.674 -25.755 4.546 1.00 54.20 C ATOM 0 HA PRO A 28 -8.839 -28.011 3.100 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.103 -27.318 1.645 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.241 -28.191 3.158 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -11.544 -25.234 2.647 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -12.546 -26.287 3.626 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.678 -24.688 4.767 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -11.039 -26.266 5.437 1.00 54.20 H new ATOM 391 N ASP A 29 -8.295 -25.165 1.921 1.00 63.12 N ATOM 392 CA ASP A 29 -7.510 -24.468 0.909 1.00 75.13 C ATOM 393 C ASP A 29 -6.073 -24.307 1.388 1.00 41.35 C ATOM 394 O ASP A 29 -5.148 -24.319 0.588 1.00 20.04 O ATOM 395 CB ASP A 29 -8.120 -23.104 0.566 1.00 13.15 C ATOM 396 CG ASP A 29 -9.371 -23.235 -0.286 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.464 -23.432 0.281 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.254 -23.162 -1.528 1.00 42.44 O ATOM 0 H ASP A 29 -8.488 -24.611 2.756 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.518 -25.068 -0.001 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.363 -22.574 1.487 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.383 -22.501 0.036 1.00 13.15 H new ATOM 403 N ARG A 30 -5.896 -24.197 2.707 1.00 54.40 N ATOM 404 CA ARG A 30 -4.566 -24.067 3.309 1.00 24.35 C ATOM 405 C ARG A 30 -3.711 -25.287 2.994 1.00 11.25 C ATOM 406 O ARG A 30 -2.606 -25.166 2.451 1.00 45.02 O ATOM 407 CB ARG A 30 -4.666 -23.903 4.836 1.00 44.21 C ATOM 408 CG ARG A 30 -5.202 -22.554 5.298 1.00 23.22 C ATOM 409 CD ARG A 30 -5.357 -22.491 6.815 1.00 3.15 C ATOM 410 NE ARG A 30 -4.087 -22.711 7.517 1.00 71.13 N ATOM 411 CZ ARG A 30 -3.993 -23.125 8.787 1.00 23.15 C ATOM 412 NH1 ARG A 30 -5.087 -23.417 9.480 1.00 65.41 N ATOM 413 NH2 ARG A 30 -2.799 -23.234 9.365 1.00 74.54 N ATOM 0 H ARG A 30 -6.661 -24.195 3.382 1.00 54.40 H new ATOM 0 HA ARG A 30 -4.100 -23.178 2.884 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -5.310 -24.689 5.231 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.677 -24.053 5.269 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.527 -21.764 4.969 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -6.167 -22.366 4.827 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -5.761 -21.518 7.096 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -6.080 -23.241 7.135 1.00 3.15 H new ATOM 0 HE ARG A 30 -3.222 -22.538 7.005 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -6.005 -23.326 9.045 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -5.009 -23.732 10.447 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -1.955 -23.002 8.841 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -2.728 -23.549 10.332 1.00 74.54 H new ATOM 427 N VAL A 31 -4.233 -26.468 3.336 1.00 12.44 N ATOM 428 CA VAL A 31 -3.468 -27.708 3.182 1.00 14.30 C ATOM 429 C VAL A 31 -3.037 -27.927 1.716 1.00 1.22 C ATOM 430 O VAL A 31 -1.852 -28.145 1.444 1.00 3.34 O ATOM 431 CB VAL A 31 -4.248 -28.947 3.705 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.398 -30.212 3.602 1.00 35.31 C ATOM 433 CG2 VAL A 31 -4.707 -28.731 5.145 1.00 61.25 C ATOM 0 H VAL A 31 -5.171 -26.592 3.717 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.572 -27.597 3.793 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.130 -29.075 3.077 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -3.967 -31.064 3.974 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.127 -30.384 2.560 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.493 -30.092 4.198 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.250 -29.611 5.490 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -3.838 -28.568 5.783 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.360 -27.860 5.192 1.00 61.25 H new ATOM 443 N PRO A 32 -3.978 -27.865 0.742 1.00 64.13 N ATOM 444 CA PRO A 32 -3.637 -28.007 -0.682 1.00 15.21 C ATOM 445 C PRO A 32 -2.808 -26.830 -1.205 1.00 21.04 C ATOM 446 O PRO A 32 -2.037 -26.989 -2.151 1.00 13.40 O ATOM 447 CB PRO A 32 -5.004 -28.059 -1.374 1.00 64.15 C ATOM 448 CG PRO A 32 -5.905 -27.329 -0.454 1.00 73.12 C ATOM 449 CD PRO A 32 -5.431 -27.680 0.930 1.00 53.53 C ATOM 0 HA PRO A 32 -3.021 -28.887 -0.867 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -4.971 -27.588 -2.356 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.336 -29.086 -1.524 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -5.855 -26.254 -0.626 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -6.943 -27.627 -0.601 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.648 -26.887 1.645 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -5.909 -28.586 1.304 1.00 53.53 H new ATOM 457 N LEU A 33 -2.980 -25.652 -0.597 1.00 51.45 N ATOM 458 CA LEU A 33 -2.187 -24.476 -0.967 1.00 71.25 C ATOM 459 C LEU A 33 -0.712 -24.777 -0.736 1.00 22.31 C ATOM 460 O LEU A 33 0.127 -24.559 -1.614 1.00 14.43 O ATOM 461 CB LEU A 33 -2.630 -23.243 -0.142 1.00 44.31 C ATOM 462 CG LEU A 33 -2.016 -21.879 -0.528 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.597 -21.724 0.018 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.034 -21.687 -2.044 1.00 5.41 C ATOM 0 H LEU A 33 -3.657 -25.488 0.149 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.346 -24.247 -2.021 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.714 -23.159 -0.216 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.396 -23.435 0.905 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.631 -21.103 -0.072 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.199 -20.752 -0.274 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.616 -21.796 1.105 1.00 72.23 H new ATOM 0 HD13 LEU A 33 0.037 -22.513 -0.387 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.597 -20.720 -2.294 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.455 -22.480 -2.518 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.062 -21.724 -2.403 1.00 5.41 H new ATOM 476 N LEU A 34 -0.409 -25.297 0.446 1.00 52.24 N ATOM 477 CA LEU A 34 0.952 -25.692 0.776 1.00 54.12 C ATOM 478 C LEU A 34 1.394 -26.861 -0.085 1.00 50.24 C ATOM 479 O LEU A 34 2.537 -26.910 -0.536 1.00 13.00 O ATOM 480 CB LEU A 34 1.082 -26.062 2.256 1.00 2.21 C ATOM 481 CG LEU A 34 1.507 -24.909 3.176 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.898 -24.410 2.795 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.482 -23.776 3.129 1.00 74.02 C ATOM 0 H LEU A 34 -1.087 -25.455 1.191 1.00 52.24 H new ATOM 0 HA LEU A 34 1.598 -24.837 0.577 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.125 -26.451 2.604 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.808 -26.870 2.351 1.00 2.21 H new ATOM 0 HG LEU A 34 1.549 -25.278 4.201 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.185 -23.593 3.456 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.616 -25.224 2.892 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.888 -24.056 1.764 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.802 -22.969 3.788 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.401 -23.401 2.109 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.488 -24.149 3.457 1.00 74.02 H new ATOM 495 N ALA A 35 0.487 -27.804 -0.305 1.00 22.33 N ATOM 496 CA ALA A 35 0.778 -28.947 -1.156 1.00 2.14 C ATOM 497 C ALA A 35 1.170 -28.471 -2.555 1.00 71.13 C ATOM 498 O ALA A 35 2.034 -29.055 -3.208 1.00 71.44 O ATOM 499 CB ALA A 35 -0.414 -29.892 -1.222 1.00 72.12 C ATOM 0 H ALA A 35 -0.452 -27.799 0.093 1.00 22.33 H new ATOM 0 HA ALA A 35 1.615 -29.496 -0.726 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.172 -30.739 -1.864 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.649 -30.252 -0.220 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.276 -29.363 -1.629 1.00 72.12 H new ATOM 505 N LEU A 36 0.513 -27.405 -3.001 1.00 60.32 N ATOM 506 CA LEU A 36 0.796 -26.787 -4.291 1.00 5.22 C ATOM 507 C LEU A 36 2.149 -26.070 -4.257 1.00 32.42 C ATOM 508 O LEU A 36 2.943 -26.175 -5.192 1.00 24.53 O ATOM 509 CB LEU A 36 -0.352 -25.822 -4.668 1.00 43.41 C ATOM 510 CG LEU A 36 -0.346 -25.252 -6.106 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.646 -24.097 -6.250 1.00 3.22 C ATOM 512 CD2 LEU A 36 -0.038 -26.357 -7.120 1.00 70.30 C ATOM 0 H LEU A 36 -0.232 -26.945 -2.477 1.00 60.32 H new ATOM 0 HA LEU A 36 0.857 -27.560 -5.057 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.297 -26.343 -4.514 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.333 -24.984 -3.971 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.342 -24.858 -6.310 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.622 -23.722 -7.273 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.373 -23.295 -5.564 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.651 -24.449 -6.016 1.00 3.22 H new ATOM 0 HD21 LEU A 36 -0.038 -25.938 -8.126 1.00 70.30 H new ATOM 0 HD22 LEU A 36 0.941 -26.785 -6.905 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.798 -27.136 -7.051 1.00 70.30 H new ATOM 524 N LEU A 37 2.400 -25.337 -3.174 1.00 22.00 N ATOM 525 CA LEU A 37 3.642 -24.577 -3.021 1.00 0.21 C ATOM 526 C LEU A 37 4.864 -25.489 -2.965 1.00 50.35 C ATOM 527 O LEU A 37 5.823 -25.298 -3.712 1.00 73.01 O ATOM 528 CB LEU A 37 3.589 -23.703 -1.755 1.00 72.43 C ATOM 529 CG LEU A 37 2.908 -22.335 -1.924 1.00 43.44 C ATOM 530 CD1 LEU A 37 2.864 -21.589 -0.590 1.00 4.05 C ATOM 531 CD2 LEU A 37 3.636 -21.507 -2.981 1.00 24.13 C ATOM 0 H LEU A 37 1.758 -25.252 -2.386 1.00 22.00 H new ATOM 0 HA LEU A 37 3.737 -23.938 -3.899 1.00 0.21 H new ATOM 0 HB2 LEU A 37 3.066 -24.256 -0.974 1.00 72.43 H new ATOM 0 HB3 LEU A 37 4.608 -23.541 -1.403 1.00 72.43 H new ATOM 0 HG LEU A 37 1.883 -22.496 -2.258 1.00 43.44 H new ATOM 0 HD11 LEU A 37 2.379 -20.623 -0.729 1.00 4.05 H new ATOM 0 HD12 LEU A 37 2.302 -22.176 0.137 1.00 4.05 H new ATOM 0 HD13 LEU A 37 3.880 -21.435 -0.225 1.00 4.05 H new ATOM 0 HD21 LEU A 37 3.143 -20.541 -3.090 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.671 -21.354 -2.674 1.00 24.13 H new ATOM 0 HD23 LEU A 37 3.615 -22.035 -3.935 1.00 24.13 H new ATOM 543 N THR A 38 4.804 -26.498 -2.099 1.00 10.21 N ATOM 544 CA THR A 38 5.954 -27.357 -1.810 1.00 5.04 C ATOM 545 C THR A 38 6.438 -28.103 -3.055 1.00 62.54 C ATOM 546 O THR A 38 7.499 -28.728 -3.043 1.00 50.11 O ATOM 547 CB THR A 38 5.630 -28.370 -0.683 1.00 61.23 C ATOM 548 OG1 THR A 38 4.392 -29.043 -0.963 1.00 1.52 O ATOM 549 CG2 THR A 38 5.541 -27.671 0.674 1.00 31.33 C ATOM 0 H THR A 38 3.962 -26.744 -1.579 1.00 10.21 H new ATOM 0 HA THR A 38 6.757 -26.701 -1.474 1.00 5.04 H new ATOM 0 HB THR A 38 6.438 -29.100 -0.644 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.641 -28.457 -0.730 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.313 -28.405 1.447 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.493 -27.191 0.899 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.753 -26.918 0.644 1.00 31.33 H new ATOM 557 N ARG A 39 5.651 -28.032 -4.124 1.00 14.25 N ATOM 558 CA ARG A 39 6.047 -28.591 -5.407 1.00 24.04 C ATOM 559 C ARG A 39 7.320 -27.898 -5.902 1.00 71.34 C ATOM 560 O ARG A 39 8.298 -28.556 -6.268 1.00 72.22 O ATOM 561 CB ARG A 39 4.918 -28.416 -6.431 1.00 54.52 C ATOM 562 CG ARG A 39 3.603 -29.090 -6.042 1.00 31.23 C ATOM 563 CD ARG A 39 3.771 -30.583 -5.780 1.00 22.04 C ATOM 564 NE ARG A 39 4.371 -31.277 -6.922 1.00 23.20 N ATOM 565 CZ ARG A 39 3.913 -32.416 -7.436 1.00 2.41 C ATOM 566 NH1 ARG A 39 2.824 -32.986 -6.940 1.00 33.22 N ATOM 567 NH2 ARG A 39 4.549 -32.981 -8.451 1.00 12.20 N ATOM 0 H ARG A 39 4.732 -27.590 -4.124 1.00 14.25 H new ATOM 0 HA ARG A 39 6.245 -29.656 -5.285 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.737 -27.351 -6.576 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.248 -28.817 -7.389 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.202 -28.610 -5.149 1.00 31.23 H new ATOM 0 HG3 ARG A 39 2.873 -28.943 -6.838 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.396 -30.728 -4.899 1.00 22.04 H new ATOM 0 HD3 ARG A 39 2.799 -31.024 -5.558 1.00 22.04 H new ATOM 0 HE ARG A 39 5.196 -30.859 -7.352 1.00 23.20 H new ATOM 0 HH11 ARG A 39 2.331 -32.552 -6.160 1.00 33.22 H new ATOM 0 HH12 ARG A 39 2.479 -33.859 -7.339 1.00 33.22 H new ATOM 0 HH21 ARG A 39 5.386 -32.543 -8.836 1.00 12.20 H new ATOM 0 HH22 ARG A 39 4.202 -33.854 -8.848 1.00 12.20 H new ATOM 581 N ARG A 40 7.294 -26.564 -5.910 1.00 53.35 N ATOM 582 CA ARG A 40 8.440 -25.762 -6.313 1.00 42.31 C ATOM 583 C ARG A 40 8.726 -24.704 -5.255 1.00 74.53 C ATOM 584 O ARG A 40 8.433 -23.524 -5.455 1.00 12.24 O ATOM 585 CB ARG A 40 8.144 -25.080 -7.644 1.00 64.35 C ATOM 586 CG ARG A 40 7.774 -26.039 -8.766 1.00 51.10 C ATOM 587 CD ARG A 40 6.995 -25.319 -9.852 1.00 53.50 C ATOM 588 NE ARG A 40 6.966 -26.076 -11.106 1.00 44.33 N ATOM 589 CZ ARG A 40 7.155 -25.542 -12.315 1.00 71.12 C ATOM 590 NH1 ARG A 40 7.368 -24.238 -12.448 1.00 73.41 N ATOM 591 NH2 ARG A 40 7.130 -26.315 -13.392 1.00 72.30 N ATOM 0 H ARG A 40 6.479 -26.015 -5.637 1.00 53.35 H new ATOM 0 HA ARG A 40 9.310 -26.410 -6.421 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.328 -24.371 -7.503 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.018 -24.504 -7.947 1.00 64.35 H new ATOM 0 HG2 ARG A 40 8.678 -26.477 -9.189 1.00 51.10 H new ATOM 0 HG3 ARG A 40 7.178 -26.860 -8.368 1.00 51.10 H new ATOM 0 HD2 ARG A 40 5.975 -25.145 -9.511 1.00 53.50 H new ATOM 0 HD3 ARG A 40 7.442 -24.341 -10.030 1.00 53.50 H new ATOM 0 HE ARG A 40 6.789 -27.079 -11.052 1.00 44.33 H new ATOM 0 HH11 ARG A 40 7.388 -23.638 -11.624 1.00 73.41 H new ATOM 0 HH12 ARG A 40 7.512 -23.837 -13.375 1.00 73.41 H new ATOM 0 HH21 ARG A 40 6.966 -27.317 -13.297 1.00 72.30 H new ATOM 0 HH22 ARG A 40 7.274 -25.907 -14.316 1.00 72.30 H new ATOM 605 N LEU A 41 9.265 -25.134 -4.127 1.00 34.24 N ATOM 606 CA LEU A 41 9.527 -24.232 -3.011 1.00 61.12 C ATOM 607 C LEU A 41 10.399 -24.937 -1.974 1.00 73.41 C ATOM 608 O LEU A 41 10.130 -26.087 -1.614 1.00 54.35 O ATOM 609 CB LEU A 41 8.195 -23.790 -2.372 1.00 3.20 C ATOM 610 CG LEU A 41 8.160 -22.356 -1.837 1.00 25.42 C ATOM 611 CD1 LEU A 41 8.248 -21.365 -2.991 1.00 35.11 C ATOM 612 CD2 LEU A 41 6.897 -22.116 -1.010 1.00 65.23 C ATOM 0 H LEU A 41 9.531 -26.104 -3.957 1.00 34.24 H new ATOM 0 HA LEU A 41 10.053 -23.350 -3.376 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.403 -23.902 -3.113 1.00 3.20 H new ATOM 0 HB3 LEU A 41 7.963 -24.470 -1.552 1.00 3.20 H new ATOM 0 HG LEU A 41 9.020 -22.207 -1.184 1.00 25.42 H new ATOM 0 HD11 LEU A 41 8.222 -20.348 -2.600 1.00 35.11 H new ATOM 0 HD12 LEU A 41 9.180 -21.521 -3.535 1.00 35.11 H new ATOM 0 HD13 LEU A 41 7.405 -21.516 -3.665 1.00 35.11 H new ATOM 0 HD21 LEU A 41 6.894 -21.091 -0.640 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.018 -22.280 -1.633 1.00 65.23 H new ATOM 0 HD23 LEU A 41 6.878 -22.806 -0.166 1.00 65.23 H new ATOM 624 N THR A 42 11.439 -24.260 -1.498 1.00 74.31 N ATOM 625 CA THR A 42 12.318 -24.839 -0.488 1.00 41.11 C ATOM 626 C THR A 42 11.758 -24.596 0.912 1.00 41.00 C ATOM 627 O THR A 42 10.872 -23.757 1.099 1.00 32.31 O ATOM 628 CB THR A 42 13.741 -24.249 -0.571 1.00 51.30 C ATOM 629 OG1 THR A 42 13.708 -22.856 -0.257 1.00 51.23 O ATOM 630 CG2 THR A 42 14.336 -24.448 -1.959 1.00 74.30 C ATOM 0 H THR A 42 11.693 -23.317 -1.793 1.00 74.31 H new ATOM 0 HA THR A 42 12.371 -25.910 -0.683 1.00 41.11 H new ATOM 0 HB THR A 42 14.369 -24.772 0.150 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.618 -22.493 -0.282 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.339 -24.023 -1.989 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.387 -25.513 -2.184 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.709 -23.950 -2.699 1.00 74.30 H new ATOM 638 N ASN A 43 12.278 -25.333 1.892 1.00 61.44 N ATOM 639 CA ASN A 43 11.864 -25.172 3.285 1.00 23.11 C ATOM 640 C ASN A 43 12.208 -23.775 3.786 1.00 72.30 C ATOM 641 O ASN A 43 11.410 -23.125 4.466 1.00 71.12 O ATOM 642 CB ASN A 43 12.546 -26.220 4.169 1.00 34.35 C ATOM 643 CG ASN A 43 12.148 -26.121 5.634 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.767 -25.396 6.415 1.00 54.24 O ATOM 645 ND2 ASN A 43 11.124 -26.868 6.018 1.00 61.42 N ATOM 0 H ASN A 43 12.989 -26.050 1.746 1.00 61.44 H new ATOM 0 HA ASN A 43 10.784 -25.311 3.338 1.00 23.11 H new ATOM 0 HB2 ASN A 43 12.298 -27.215 3.799 1.00 34.35 H new ATOM 0 HB3 ASN A 43 13.627 -26.109 4.085 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.821 -26.857 6.992 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.638 -27.455 5.340 1.00 61.42 H new ATOM 652 N ASP A 44 13.403 -23.317 3.431 1.00 0.21 N ATOM 653 CA ASP A 44 13.868 -21.997 3.840 1.00 22.12 C ATOM 654 C ASP A 44 12.943 -20.915 3.292 1.00 42.40 C ATOM 655 O ASP A 44 12.565 -19.990 4.010 1.00 60.34 O ATOM 656 CB ASP A 44 15.308 -21.752 3.369 1.00 1.30 C ATOM 657 CG ASP A 44 15.915 -20.500 3.988 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.508 -20.603 5.087 1.00 41.24 O ATOM 659 OD2 ASP A 44 15.800 -19.410 3.390 1.00 4.40 O ATOM 0 H ASP A 44 14.067 -23.840 2.861 1.00 0.21 H new ATOM 0 HA ASP A 44 13.853 -21.955 4.929 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.923 -22.615 3.624 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.322 -21.661 2.283 1.00 1.30 H new ATOM 664 N GLU A 45 12.556 -21.058 2.023 1.00 2.43 N ATOM 665 CA GLU A 45 11.672 -20.094 1.367 1.00 12.41 C ATOM 666 C GLU A 45 10.277 -20.082 2.000 1.00 74.32 C ATOM 667 O GLU A 45 9.781 -19.020 2.385 1.00 52.21 O ATOM 668 CB GLU A 45 11.577 -20.384 -0.135 1.00 10.44 C ATOM 669 CG GLU A 45 12.866 -20.081 -0.891 1.00 2.34 C ATOM 670 CD GLU A 45 12.779 -20.416 -2.372 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.673 -21.620 -2.697 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.819 -19.480 -3.203 1.00 64.14 O ATOM 0 H GLU A 45 12.842 -21.835 1.428 1.00 2.43 H new ATOM 0 HA GLU A 45 12.106 -19.104 1.507 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.317 -21.433 -0.280 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.766 -19.793 -0.561 1.00 10.44 H new ATOM 0 HG2 GLU A 45 13.108 -19.024 -0.777 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.684 -20.645 -0.444 1.00 2.34 H new ATOM 679 N ILE A 46 9.647 -21.254 2.114 1.00 40.25 N ATOM 680 CA ILE A 46 8.309 -21.334 2.708 1.00 2.42 C ATOM 681 C ILE A 46 8.319 -20.733 4.113 1.00 23.22 C ATOM 682 O ILE A 46 7.396 -20.011 4.499 1.00 2.24 O ATOM 683 CB ILE A 46 7.751 -22.795 2.722 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.376 -22.882 3.421 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.737 -23.754 3.375 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.440 -23.104 4.924 1.00 5.20 C ATOM 0 H ILE A 46 10.033 -22.147 1.809 1.00 40.25 H new ATOM 0 HA ILE A 46 7.635 -20.751 2.081 1.00 2.42 H new ATOM 0 HB ILE A 46 7.615 -23.091 1.682 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.826 -21.961 3.227 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.806 -23.695 2.971 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.322 -24.762 3.370 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.675 -23.745 2.820 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.921 -23.442 4.403 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.429 -23.152 5.328 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.958 -24.040 5.132 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.979 -22.279 5.391 1.00 5.20 H new ATOM 698 N LYS A 47 9.379 -21.011 4.871 1.00 61.14 N ATOM 699 CA LYS A 47 9.551 -20.400 6.184 1.00 33.02 C ATOM 700 C LYS A 47 9.715 -18.890 6.055 1.00 44.41 C ATOM 701 O LYS A 47 9.090 -18.133 6.793 1.00 14.11 O ATOM 702 CB LYS A 47 10.752 -20.993 6.930 1.00 63.24 C ATOM 703 CG LYS A 47 10.489 -22.374 7.514 1.00 43.11 C ATOM 704 CD LYS A 47 11.639 -22.831 8.405 1.00 45.04 C ATOM 705 CE LYS A 47 11.281 -24.084 9.193 1.00 73.15 C ATOM 706 NZ LYS A 47 10.107 -23.863 10.076 1.00 75.33 N ATOM 0 H LYS A 47 10.125 -21.651 4.599 1.00 61.14 H new ATOM 0 HA LYS A 47 8.653 -20.615 6.763 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.599 -21.053 6.247 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.038 -20.316 7.735 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.565 -22.356 8.091 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.346 -23.091 6.706 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.518 -23.026 7.791 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.904 -22.031 9.096 1.00 45.04 H new ATOM 0 HE2 LYS A 47 11.068 -24.900 8.502 1.00 73.15 H new ATOM 0 HE3 LYS A 47 12.136 -24.392 9.795 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 10.104 -24.575 10.834 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 10.161 -22.912 10.494 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 9.233 -23.947 9.519 1.00 75.33 H new ATOM 720 N ALA A 48 10.539 -18.459 5.102 1.00 32.32 N ATOM 721 CA ALA A 48 10.800 -17.036 4.887 1.00 3.50 C ATOM 722 C ALA A 48 9.497 -16.275 4.654 1.00 23.32 C ATOM 723 O ALA A 48 9.352 -15.128 5.080 1.00 52.32 O ATOM 724 CB ALA A 48 11.759 -16.836 3.717 1.00 43.35 C ATOM 0 H ALA A 48 11.040 -19.077 4.464 1.00 32.32 H new ATOM 0 HA ALA A 48 11.269 -16.636 5.786 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.940 -15.771 3.573 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.702 -17.339 3.930 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.320 -17.255 2.811 1.00 43.35 H new ATOM 730 N ILE A 49 8.547 -16.930 3.985 1.00 73.51 N ATOM 731 CA ILE A 49 7.216 -16.363 3.790 1.00 11.34 C ATOM 732 C ILE A 49 6.548 -16.113 5.139 1.00 32.52 C ATOM 733 O ILE A 49 5.934 -15.070 5.360 1.00 25.45 O ATOM 734 CB ILE A 49 6.309 -17.288 2.931 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.920 -17.488 1.534 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.899 -16.705 2.826 1.00 22.32 C ATOM 737 CD1 ILE A 49 7.089 -16.198 0.756 1.00 74.30 C ATOM 0 H ILE A 49 8.676 -17.853 3.570 1.00 73.51 H new ATOM 0 HA ILE A 49 7.342 -15.421 3.256 1.00 11.34 H new ATOM 0 HB ILE A 49 6.241 -18.260 3.419 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.892 -17.970 1.637 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.286 -18.167 0.963 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.277 -17.365 2.221 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.468 -16.613 3.823 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.946 -15.721 2.359 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.525 -16.416 -0.219 1.00 74.30 H new ATOM 0 HD12 ILE A 49 6.117 -15.724 0.621 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.747 -15.525 1.306 1.00 74.30 H new ATOM 749 N ALA A 50 6.702 -17.069 6.049 1.00 21.02 N ATOM 750 CA ALA A 50 6.102 -16.963 7.369 1.00 1.35 C ATOM 751 C ALA A 50 6.771 -15.838 8.138 1.00 3.30 C ATOM 752 O ALA A 50 6.111 -14.959 8.677 1.00 40.12 O ATOM 753 CB ALA A 50 6.243 -18.278 8.131 1.00 61.30 C ATOM 0 H ALA A 50 7.237 -17.924 5.895 1.00 21.02 H new ATOM 0 HA ALA A 50 5.040 -16.746 7.259 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.788 -18.178 9.116 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.743 -19.074 7.579 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.299 -18.522 8.242 1.00 61.30 H new ATOM 759 N GLU A 51 8.093 -15.872 8.131 1.00 14.35 N ATOM 760 CA GLU A 51 8.920 -14.937 8.880 1.00 45.45 C ATOM 761 C GLU A 51 8.614 -13.488 8.507 1.00 61.23 C ATOM 762 O GLU A 51 8.539 -12.619 9.375 1.00 40.34 O ATOM 763 CB GLU A 51 10.393 -15.254 8.613 1.00 4.25 C ATOM 764 CG GLU A 51 10.754 -16.711 8.897 1.00 61.30 C ATOM 765 CD GLU A 51 10.696 -17.051 10.377 1.00 30.31 C ATOM 766 OE1 GLU A 51 11.371 -16.370 11.174 1.00 71.15 O ATOM 767 OE2 GLU A 51 9.967 -17.997 10.755 1.00 71.41 O ATOM 0 H GLU A 51 8.630 -16.557 7.599 1.00 14.35 H new ATOM 0 HA GLU A 51 8.699 -15.050 9.941 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.625 -15.025 7.573 1.00 4.25 H new ATOM 0 HB3 GLU A 51 11.015 -14.605 9.229 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.072 -17.363 8.351 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.757 -16.913 8.521 1.00 61.30 H new ATOM 774 N ASP A 52 8.426 -13.232 7.215 1.00 54.12 N ATOM 775 CA ASP A 52 8.206 -11.869 6.730 1.00 62.53 C ATOM 776 C ASP A 52 6.809 -11.376 7.106 1.00 5.34 C ATOM 777 O ASP A 52 6.624 -10.211 7.463 1.00 13.14 O ATOM 778 CB ASP A 52 8.413 -11.791 5.210 1.00 51.25 C ATOM 779 CG ASP A 52 8.571 -10.353 4.720 1.00 13.15 C ATOM 780 OD1 ASP A 52 9.700 -9.812 4.803 1.00 55.20 O ATOM 781 OD2 ASP A 52 7.578 -9.750 4.269 1.00 61.55 O ATOM 0 H ASP A 52 8.421 -13.946 6.486 1.00 54.12 H new ATOM 0 HA ASP A 52 8.938 -11.219 7.210 1.00 62.53 H new ATOM 0 HB2 ASP A 52 9.298 -12.365 4.936 1.00 51.25 H new ATOM 0 HB3 ASP A 52 7.564 -12.253 4.706 1.00 51.25 H new ATOM 786 N LEU A 53 5.829 -12.276 7.037 1.00 34.00 N ATOM 787 CA LEU A 53 4.443 -11.937 7.365 1.00 31.15 C ATOM 788 C LEU A 53 4.235 -11.808 8.881 1.00 63.44 C ATOM 789 O LEU A 53 3.724 -10.794 9.362 1.00 24.44 O ATOM 790 CB LEU A 53 3.485 -12.986 6.778 1.00 23.10 C ATOM 791 CG LEU A 53 3.490 -13.096 5.241 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.519 -14.182 4.776 1.00 73.53 C ATOM 793 CD2 LEU A 53 3.149 -11.751 4.600 1.00 2.44 C ATOM 0 H LEU A 53 5.968 -13.247 6.757 1.00 34.00 H new ATOM 0 HA LEU A 53 4.223 -10.967 6.919 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.739 -13.960 7.196 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.472 -12.753 7.106 1.00 23.10 H new ATOM 0 HG LEU A 53 4.494 -13.377 4.922 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.537 -14.244 3.688 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.816 -15.141 5.199 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.511 -13.935 5.109 1.00 73.53 H new ATOM 0 HD21 LEU A 53 3.158 -11.852 3.515 1.00 2.44 H new ATOM 0 HD22 LEU A 53 2.159 -11.433 4.926 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.886 -11.007 4.901 1.00 2.44 H new ATOM 805 N GLU A 54 4.648 -12.835 9.627 1.00 42.35 N ATOM 806 CA GLU A 54 4.467 -12.862 11.084 1.00 71.35 C ATOM 807 C GLU A 54 5.300 -11.767 11.746 1.00 51.43 C ATOM 808 O GLU A 54 5.046 -11.368 12.886 1.00 2.04 O ATOM 809 CB GLU A 54 4.811 -14.257 11.648 1.00 71.34 C ATOM 810 CG GLU A 54 6.293 -14.639 11.597 1.00 45.42 C ATOM 811 CD GLU A 54 7.054 -14.272 12.864 1.00 2.40 C ATOM 812 OE1 GLU A 54 6.781 -14.886 13.919 1.00 1.20 O ATOM 813 OE2 GLU A 54 7.921 -13.378 12.813 1.00 25.13 O ATOM 0 H GLU A 54 5.111 -13.661 9.247 1.00 42.35 H new ATOM 0 HA GLU A 54 3.419 -12.664 11.311 1.00 71.35 H new ATOM 0 HB2 GLU A 54 4.477 -14.304 12.684 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.241 -15.004 11.095 1.00 71.34 H new ATOM 0 HG2 GLU A 54 6.379 -15.712 11.428 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.759 -14.144 10.745 1.00 45.42 H new ATOM 820 N LYS A 55 6.305 -11.300 11.011 1.00 30.13 N ATOM 821 CA LYS A 55 7.107 -10.144 11.401 1.00 60.30 C ATOM 822 C LYS A 55 6.208 -8.964 11.761 1.00 11.44 C ATOM 823 O LYS A 55 6.524 -8.174 12.652 1.00 63.12 O ATOM 824 CB LYS A 55 8.013 -9.743 10.231 1.00 20.00 C ATOM 825 CG LYS A 55 8.929 -8.550 10.505 1.00 21.43 C ATOM 826 CD LYS A 55 9.210 -7.759 9.228 1.00 14.14 C ATOM 827 CE LYS A 55 9.666 -8.654 8.076 1.00 75.02 C ATOM 828 NZ LYS A 55 9.720 -7.911 6.787 1.00 63.03 N ATOM 0 H LYS A 55 6.588 -11.715 10.123 1.00 30.13 H new ATOM 0 HA LYS A 55 7.707 -10.410 12.271 1.00 60.30 H new ATOM 0 HB2 LYS A 55 8.629 -10.600 9.957 1.00 20.00 H new ATOM 0 HB3 LYS A 55 7.387 -9.512 9.369 1.00 20.00 H new ATOM 0 HG2 LYS A 55 8.467 -7.897 11.245 1.00 21.43 H new ATOM 0 HG3 LYS A 55 9.869 -8.901 10.932 1.00 21.43 H new ATOM 0 HD2 LYS A 55 8.310 -7.221 8.932 1.00 14.14 H new ATOM 0 HD3 LYS A 55 9.977 -7.011 9.429 1.00 14.14 H new ATOM 0 HE2 LYS A 55 10.651 -9.063 8.301 1.00 75.02 H new ATOM 0 HE3 LYS A 55 8.984 -9.499 7.980 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 9.967 -8.567 6.019 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 8.791 -7.485 6.593 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 10.439 -7.162 6.848 1.00 63.03 H new ATOM 842 N ARG A 56 5.089 -8.853 11.045 1.00 63.50 N ATOM 843 CA ARG A 56 4.166 -7.736 11.210 1.00 74.04 C ATOM 844 C ARG A 56 3.321 -7.901 12.476 1.00 1.10 C ATOM 845 O ARG A 56 3.317 -7.021 13.338 1.00 45.04 O ATOM 846 CB ARG A 56 3.268 -7.610 9.965 1.00 13.44 C ATOM 847 CG ARG A 56 4.059 -7.396 8.674 1.00 60.23 C ATOM 848 CD ARG A 56 3.156 -7.328 7.445 1.00 20.44 C ATOM 849 NE ARG A 56 2.203 -6.217 7.515 1.00 20.11 N ATOM 850 CZ ARG A 56 1.506 -5.759 6.473 1.00 51.15 C ATOM 851 NH1 ARG A 56 1.672 -6.283 5.264 1.00 31.34 N ATOM 852 NH2 ARG A 56 0.641 -4.769 6.641 1.00 24.14 N ATOM 0 H ARG A 56 4.800 -9.531 10.340 1.00 63.50 H new ATOM 0 HA ARG A 56 4.747 -6.820 11.319 1.00 74.04 H new ATOM 0 HB2 ARG A 56 2.663 -8.511 9.868 1.00 13.44 H new ATOM 0 HB3 ARG A 56 2.579 -6.777 10.104 1.00 13.44 H new ATOM 0 HG2 ARG A 56 4.633 -6.473 8.751 1.00 60.23 H new ATOM 0 HG3 ARG A 56 4.776 -8.208 8.551 1.00 60.23 H new ATOM 0 HD2 ARG A 56 3.770 -7.221 6.551 1.00 20.44 H new ATOM 0 HD3 ARG A 56 2.610 -8.266 7.346 1.00 20.44 H new ATOM 0 HE ARG A 56 2.063 -5.764 8.418 1.00 20.11 H new ATOM 0 HH11 ARG A 56 2.338 -7.043 5.125 1.00 31.34 H new ATOM 0 HH12 ARG A 56 1.134 -5.925 4.475 1.00 31.34 H new ATOM 0 HH21 ARG A 56 0.509 -4.359 7.565 1.00 24.14 H new ATOM 0 HH22 ARG A 56 0.107 -4.418 5.846 1.00 24.14 H new ATOM 866 N ALA A 57 2.635 -9.039 12.603 1.00 75.53 N ATOM 867 CA ALA A 57 1.762 -9.295 13.754 1.00 40.24 C ATOM 868 C ALA A 57 1.291 -10.747 13.779 1.00 71.25 C ATOM 869 O ALA A 57 1.576 -11.516 12.860 1.00 53.35 O ATOM 870 CB ALA A 57 0.563 -8.348 13.737 1.00 34.42 C ATOM 0 H ALA A 57 2.666 -9.799 11.923 1.00 75.53 H new ATOM 0 HA ALA A 57 2.341 -9.113 14.659 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -0.074 -8.552 14.598 1.00 34.42 H new ATOM 0 HB2 ALA A 57 0.913 -7.317 13.781 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -0.007 -8.499 12.820 1.00 34.42 H new ATOM 876 N HIS A 58 0.580 -11.122 14.847 1.00 23.12 N ATOM 877 CA HIS A 58 0.034 -12.475 15.003 1.00 21.31 C ATOM 878 C HIS A 58 -1.409 -12.402 15.506 1.00 2.53 C ATOM 879 O HIS A 58 -1.647 -12.062 16.667 1.00 62.41 O ATOM 880 CB HIS A 58 0.876 -13.293 15.996 1.00 52.13 C ATOM 881 CG HIS A 58 2.317 -13.436 15.608 1.00 71.23 C ATOM 882 ND1 HIS A 58 3.289 -12.531 15.974 1.00 12.41 N ATOM 883 CD2 HIS A 58 2.953 -14.398 14.897 1.00 64.10 C ATOM 884 CE1 HIS A 58 4.456 -12.927 15.509 1.00 73.52 C ATOM 885 NE2 HIS A 58 4.280 -14.056 14.855 1.00 44.32 N ATOM 0 H HIS A 58 0.367 -10.499 15.626 1.00 23.12 H new ATOM 0 HA HIS A 58 0.060 -12.966 14.030 1.00 21.31 H new ATOM 0 HB2 HIS A 58 0.821 -12.821 16.977 1.00 52.13 H new ATOM 0 HB3 HIS A 58 0.438 -14.286 16.095 1.00 52.13 H new ATOM 0 HD2 HIS A 58 2.500 -15.270 14.448 1.00 64.10 H new ATOM 0 HE1 HIS A 58 5.397 -12.413 15.642 1.00 73.52 H new ATOM 0 HE2 HIS A 58 5.014 -14.591 14.391 1.00 44.32 H new ATOM 894 N PHE A 59 -2.361 -12.710 14.627 1.00 45.53 N ATOM 895 CA PHE A 59 -3.791 -12.654 14.962 1.00 61.11 C ATOM 896 C PHE A 59 -4.559 -13.690 14.142 1.00 4.21 C ATOM 897 O PHE A 59 -5.728 -13.483 13.803 1.00 51.30 O ATOM 898 CB PHE A 59 -4.369 -11.252 14.670 1.00 63.21 C ATOM 899 CG PHE A 59 -3.830 -10.147 15.549 1.00 13.13 C ATOM 900 CD1 PHE A 59 -4.294 -9.990 16.846 1.00 55.13 C ATOM 901 CD2 PHE A 59 -2.867 -9.266 15.073 1.00 72.53 C ATOM 902 CE1 PHE A 59 -3.809 -8.979 17.652 1.00 72.34 C ATOM 903 CE2 PHE A 59 -2.379 -8.255 15.878 1.00 53.22 C ATOM 904 CZ PHE A 59 -2.851 -8.110 17.168 1.00 32.55 C ATOM 0 H PHE A 59 -2.170 -13.004 13.669 1.00 45.53 H new ATOM 0 HA PHE A 59 -3.898 -12.868 16.025 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -4.166 -11.001 13.629 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -5.452 -11.291 14.783 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -5.043 -10.666 17.230 1.00 55.13 H new ATOM 0 HD2 PHE A 59 -2.496 -9.373 14.064 1.00 72.53 H new ATOM 0 HE1 PHE A 59 -4.179 -8.868 18.661 1.00 72.34 H new ATOM 0 HE2 PHE A 59 -1.628 -7.578 15.499 1.00 53.22 H new ATOM 0 HZ PHE A 59 -2.472 -7.318 17.797 1.00 32.55 H new ATOM 914 N ASP A 60 -3.910 -14.814 13.843 1.00 3.23 N ATOM 915 CA ASP A 60 -4.458 -15.784 12.896 1.00 22.13 C ATOM 916 C ASP A 60 -4.391 -17.215 13.433 1.00 20.41 C ATOM 917 O ASP A 60 -3.871 -17.472 14.520 1.00 31.31 O ATOM 918 CB ASP A 60 -3.669 -15.713 11.585 1.00 1.13 C ATOM 919 CG ASP A 60 -2.244 -16.229 11.752 1.00 72.32 C ATOM 920 OD1 ASP A 60 -1.398 -15.480 12.298 1.00 21.21 O ATOM 921 OD2 ASP A 60 -1.982 -17.391 11.367 1.00 64.02 O ATOM 0 H ASP A 60 -3.008 -15.075 14.241 1.00 3.23 H new ATOM 0 HA ASP A 60 -5.506 -15.531 12.736 1.00 22.13 H new ATOM 0 HB2 ASP A 60 -4.180 -16.299 10.821 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -3.643 -14.682 11.232 1.00 1.13 H new ATOM 926 N HIS A 61 -4.957 -18.132 12.655 1.00 13.11 N ATOM 927 CA HIS A 61 -4.827 -19.573 12.879 1.00 64.41 C ATOM 928 C HIS A 61 -4.360 -20.236 11.586 1.00 11.03 C ATOM 929 O HIS A 61 -4.420 -21.460 11.443 1.00 35.12 O ATOM 930 CB HIS A 61 -6.167 -20.187 13.316 1.00 74.10 C ATOM 931 CG HIS A 61 -6.577 -19.863 14.718 1.00 43.02 C ATOM 932 ND1 HIS A 61 -7.880 -19.594 15.078 1.00 14.13 N ATOM 933 CD2 HIS A 61 -5.857 -19.814 15.862 1.00 43.44 C ATOM 934 CE1 HIS A 61 -7.942 -19.394 16.378 1.00 75.35 C ATOM 935 NE2 HIS A 61 -6.728 -19.524 16.883 1.00 64.30 N ATOM 0 H HIS A 61 -5.526 -17.896 11.842 1.00 13.11 H new ATOM 0 HA HIS A 61 -4.100 -19.740 13.674 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -6.947 -19.844 12.636 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -6.106 -21.270 13.211 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -4.793 -19.974 15.955 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -8.836 -19.162 16.938 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -6.479 -19.425 17.867 1.00 64.30 H new ATOM 944 N ILE A 62 -3.867 -19.420 10.657 1.00 73.14 N ATOM 945 CA ILE A 62 -3.605 -19.872 9.291 1.00 65.44 C ATOM 946 C ILE A 62 -2.116 -20.092 9.035 1.00 41.11 C ATOM 947 O ILE A 62 -1.705 -20.235 7.879 1.00 32.13 O ATOM 948 CB ILE A 62 -4.172 -18.882 8.238 1.00 10.35 C ATOM 949 CG1 ILE A 62 -3.479 -17.511 8.346 1.00 42.10 C ATOM 950 CG2 ILE A 62 -5.687 -18.737 8.402 1.00 43.04 C ATOM 951 CD1 ILE A 62 -3.966 -16.505 7.328 1.00 32.42 C ATOM 0 H ILE A 62 -3.640 -18.440 10.825 1.00 73.14 H new ATOM 0 HA ILE A 62 -4.118 -20.828 9.186 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.970 -19.285 7.246 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -3.640 -17.110 9.347 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -2.404 -17.646 8.226 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -6.069 -18.040 7.656 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -6.162 -19.709 8.267 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -5.910 -18.359 9.400 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -3.434 -15.563 7.464 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -3.780 -16.885 6.323 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -5.035 -16.340 7.462 1.00 32.42 H new ATOM 963 N ASP A 63 -1.329 -20.141 10.116 1.00 1.43 N ATOM 964 CA ASP A 63 0.124 -20.363 10.039 1.00 15.25 C ATOM 965 C ASP A 63 0.489 -21.345 8.918 1.00 43.10 C ATOM 966 O ASP A 63 -0.002 -22.478 8.883 1.00 22.32 O ATOM 967 CB ASP A 63 0.662 -20.883 11.382 1.00 62.22 C ATOM 968 CG ASP A 63 2.173 -21.100 11.362 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.621 -22.159 10.874 1.00 31.43 O ATOM 970 OD2 ASP A 63 2.920 -20.219 11.841 1.00 71.15 O ATOM 0 H ASP A 63 -1.678 -20.028 11.068 1.00 1.43 H new ATOM 0 HA ASP A 63 0.587 -19.403 9.812 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.411 -20.173 12.170 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.167 -21.822 11.629 1.00 62.22 H new ATOM 975 N ILE A 64 1.347 -20.879 8.015 1.00 35.01 N ATOM 976 CA ILE A 64 1.745 -21.616 6.811 1.00 74.34 C ATOM 977 C ILE A 64 2.547 -22.881 7.139 1.00 73.52 C ATOM 978 O ILE A 64 2.405 -23.905 6.468 1.00 13.12 O ATOM 979 CB ILE A 64 2.561 -20.688 5.870 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.026 -21.431 4.615 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.755 -20.085 6.607 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.398 -20.517 3.469 1.00 23.31 C ATOM 0 H ILE A 64 1.794 -19.966 8.097 1.00 35.01 H new ATOM 0 HA ILE A 64 0.833 -21.939 6.308 1.00 74.34 H new ATOM 0 HB ILE A 64 1.902 -19.879 5.554 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.887 -22.050 4.868 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.234 -22.105 4.288 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.312 -19.439 5.929 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.401 -19.501 7.456 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.405 -20.885 6.962 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.717 -21.115 2.616 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.533 -19.916 3.188 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.212 -19.860 3.777 1.00 23.31 H new ATOM 994 N GLY A 65 3.357 -22.815 8.187 1.00 24.22 N ATOM 995 CA GLY A 65 4.221 -23.930 8.540 1.00 1.30 C ATOM 996 C GLY A 65 3.440 -25.150 8.995 1.00 31.50 C ATOM 997 O GLY A 65 3.778 -26.285 8.635 1.00 64.12 O ATOM 0 H GLY A 65 3.433 -22.006 8.803 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.835 -24.196 7.680 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.901 -23.621 9.334 1.00 1.30 H new ATOM 1001 N VAL A 66 2.380 -24.911 9.771 1.00 52.41 N ATOM 1002 CA VAL A 66 1.558 -25.988 10.327 1.00 10.01 C ATOM 1003 C VAL A 66 1.026 -26.915 9.233 1.00 22.33 C ATOM 1004 O VAL A 66 0.924 -28.127 9.428 1.00 54.21 O ATOM 1005 CB VAL A 66 0.366 -25.426 11.153 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.532 -26.554 11.667 1.00 35.32 C ATOM 1007 CG2 VAL A 66 0.869 -24.572 12.313 1.00 25.14 C ATOM 0 H VAL A 66 2.070 -23.974 10.030 1.00 52.41 H new ATOM 0 HA VAL A 66 2.206 -26.563 10.988 1.00 10.01 H new ATOM 0 HB VAL A 66 -0.230 -24.796 10.492 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.356 -26.130 12.241 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.929 -27.116 10.822 1.00 35.32 H new ATOM 0 HG13 VAL A 66 0.049 -27.220 12.305 1.00 35.32 H new ATOM 0 HG21 VAL A 66 0.019 -24.189 12.878 1.00 25.14 H new ATOM 0 HG22 VAL A 66 1.495 -25.179 12.967 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.452 -23.737 11.924 1.00 25.14 H new ATOM 1017 N LEU A 67 0.698 -26.344 8.077 1.00 55.10 N ATOM 1018 CA LEU A 67 0.113 -27.119 6.985 1.00 53.21 C ATOM 1019 C LEU A 67 1.043 -28.245 6.532 1.00 52.34 C ATOM 1020 O LEU A 67 0.595 -29.373 6.303 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.249 -26.221 5.792 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.500 -25.339 5.963 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.582 -26.055 6.770 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.144 -23.994 6.584 1.00 50.24 C ATOM 0 H LEU A 67 0.826 -25.353 7.872 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.803 -27.567 7.371 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.601 -25.573 5.580 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.393 -26.855 4.917 1.00 43.44 H new ATOM 0 HG LEU A 67 -1.907 -25.148 4.970 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.451 -25.404 6.872 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.873 -26.971 6.256 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.195 -26.301 7.759 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.047 -23.393 6.692 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.694 -24.153 7.564 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.436 -23.472 5.940 1.00 50.24 H new ATOM 1036 N ILE A 68 2.337 -27.947 6.429 1.00 31.54 N ATOM 1037 CA ILE A 68 3.312 -28.931 5.966 1.00 2.51 C ATOM 1038 C ILE A 68 3.331 -30.146 6.891 1.00 51.44 C ATOM 1039 O ILE A 68 3.490 -31.286 6.440 1.00 60.32 O ATOM 1040 CB ILE A 68 4.741 -28.327 5.872 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.758 -27.141 4.899 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.760 -29.388 5.439 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.130 -26.527 4.710 1.00 31.33 C ATOM 0 H ILE A 68 2.733 -27.036 6.659 1.00 31.54 H new ATOM 0 HA ILE A 68 3.006 -29.240 4.967 1.00 2.51 H new ATOM 0 HB ILE A 68 5.023 -27.971 6.863 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.381 -27.471 3.931 1.00 32.52 H new ATOM 0 HG13 ILE A 68 4.074 -26.374 5.263 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.751 -28.938 5.381 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.772 -30.200 6.166 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.483 -29.781 4.461 1.00 72.11 H new ATOM 0 HD11 ILE A 68 6.063 -25.695 4.009 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.502 -26.165 5.669 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.814 -27.279 4.316 1.00 31.33 H new ATOM 1055 N THR A 69 3.134 -29.903 8.183 1.00 24.31 N ATOM 1056 CA THR A 69 3.153 -30.966 9.174 1.00 33.41 C ATOM 1057 C THR A 69 1.997 -31.938 8.930 1.00 42.44 C ATOM 1058 O THR A 69 2.100 -33.133 9.201 1.00 21.42 O ATOM 1059 CB THR A 69 3.070 -30.381 10.602 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.060 -29.353 10.757 1.00 24.41 O ATOM 1061 CG2 THR A 69 3.283 -31.460 11.662 1.00 64.12 C ATOM 0 H THR A 69 2.959 -28.974 8.566 1.00 24.31 H new ATOM 0 HA THR A 69 4.094 -31.509 9.079 1.00 33.41 H new ATOM 0 HB THR A 69 2.072 -29.964 10.740 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.006 -28.981 11.662 1.00 24.41 H new ATOM 0 HG21 THR A 69 3.218 -31.013 12.654 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.516 -32.228 11.559 1.00 64.12 H new ATOM 0 HG23 THR A 69 4.267 -31.910 11.530 1.00 64.12 H new ATOM 1069 N GLN A 70 0.899 -31.405 8.406 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.269 -32.215 8.085 1.00 71.34 C ATOM 1071 C GLN A 70 -0.035 -32.989 6.786 1.00 10.03 C ATOM 1072 O GLN A 70 -0.316 -34.185 6.701 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.513 -31.324 7.963 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.666 -30.327 9.112 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.102 -29.872 9.305 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.853 -30.471 10.073 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.500 -28.826 8.601 1.00 21.40 N ATOM 0 H GLN A 70 0.794 -30.413 8.194 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.433 -32.932 8.890 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.467 -30.777 7.022 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.400 -31.956 7.921 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.307 -30.784 10.034 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.036 -29.458 8.920 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -2.848 -28.355 7.974 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.459 -28.490 8.685 1.00 21.40 H new ATOM 1086 N MET A 71 0.501 -32.291 5.787 1.00 14.01 N ATOM 1087 CA MET A 71 0.723 -32.857 4.456 1.00 13.13 C ATOM 1088 C MET A 71 1.671 -34.053 4.496 1.00 21.22 C ATOM 1089 O MET A 71 1.449 -35.049 3.803 1.00 40.43 O ATOM 1090 CB MET A 71 1.294 -31.782 3.532 1.00 61.13 C ATOM 1091 CG MET A 71 0.303 -30.683 3.162 1.00 14.31 C ATOM 1092 SD MET A 71 1.107 -29.087 2.941 1.00 65.25 S ATOM 1093 CE MET A 71 2.555 -29.567 2.007 1.00 3.01 C ATOM 0 H MET A 71 0.794 -31.318 5.876 1.00 14.01 H new ATOM 0 HA MET A 71 -0.238 -33.207 4.078 1.00 13.13 H new ATOM 0 HB2 MET A 71 2.160 -31.328 4.014 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.650 -32.257 2.618 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.214 -30.957 2.243 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.454 -30.601 3.942 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.920 -28.713 1.437 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.333 -29.906 2.691 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.295 -30.375 1.323 1.00 3.01 H new ATOM 1103 N THR A 72 2.727 -33.950 5.303 1.00 74.35 N ATOM 1104 CA THR A 72 3.732 -35.008 5.396 1.00 54.12 C ATOM 1105 C THR A 72 3.079 -36.330 5.812 1.00 21.40 C ATOM 1106 O THR A 72 3.517 -37.413 5.416 1.00 10.21 O ATOM 1107 CB THR A 72 4.851 -34.639 6.409 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.981 -35.506 6.246 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.360 -34.726 7.852 1.00 32.34 C ATOM 0 H THR A 72 2.908 -33.144 5.902 1.00 74.35 H new ATOM 0 HA THR A 72 4.183 -35.121 4.410 1.00 54.12 H new ATOM 0 HB THR A 72 5.141 -33.609 6.203 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.678 -35.260 6.890 1.00 54.05 H new ATOM 0 HG21 THR A 72 5.172 -34.461 8.529 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.528 -34.037 7.995 1.00 32.34 H new ATOM 0 HG23 THR A 72 4.029 -35.743 8.063 1.00 32.34 H new ATOM 1117 N ASP A 73 2.012 -36.214 6.592 1.00 14.31 N ATOM 1118 CA ASP A 73 1.310 -37.366 7.131 1.00 73.20 C ATOM 1119 C ASP A 73 0.200 -37.812 6.187 1.00 63.12 C ATOM 1120 O ASP A 73 0.075 -38.998 5.867 1.00 62.50 O ATOM 1121 CB ASP A 73 0.721 -37.009 8.500 1.00 53.23 C ATOM 1122 CG ASP A 73 0.025 -38.188 9.166 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.722 -39.131 9.591 1.00 73.12 O ATOM 1124 OD2 ASP A 73 -1.224 -38.185 9.255 1.00 61.41 O ATOM 0 H ASP A 73 1.611 -35.318 6.867 1.00 14.31 H new ATOM 0 HA ASP A 73 2.016 -38.189 7.240 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.517 -36.648 9.151 1.00 53.23 H new ATOM 0 HB3 ASP A 73 0.010 -36.191 8.383 1.00 53.23 H new ATOM 1129 N GLU A 74 -0.594 -36.849 5.737 1.00 53.04 N ATOM 1130 CA GLU A 74 -1.741 -37.116 4.878 1.00 13.52 C ATOM 1131 C GLU A 74 -1.977 -35.948 3.923 1.00 52.34 C ATOM 1132 O GLU A 74 -2.138 -34.805 4.361 1.00 43.45 O ATOM 1133 CB GLU A 74 -2.992 -37.341 5.738 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.287 -37.454 4.937 1.00 22.12 C ATOM 1135 CD GLU A 74 -5.523 -37.429 5.820 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -5.723 -36.422 6.534 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -6.294 -38.410 5.816 1.00 64.11 O ATOM 0 H GLU A 74 -0.462 -35.862 5.957 1.00 53.04 H new ATOM 0 HA GLU A 74 -1.537 -38.012 4.292 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -2.859 -38.251 6.323 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.086 -36.518 6.446 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.340 -36.634 4.221 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.275 -38.380 4.362 1.00 22.12 H new ATOM 1144 N MET A 75 -1.988 -36.234 2.621 1.00 3.01 N ATOM 1145 CA MET A 75 -2.336 -35.229 1.620 1.00 44.15 C ATOM 1146 C MET A 75 -3.844 -34.967 1.656 1.00 2.42 C ATOM 1147 O MET A 75 -4.624 -35.883 1.915 1.00 23.31 O ATOM 1148 CB MET A 75 -1.904 -35.684 0.218 1.00 64.55 C ATOM 1149 CG MET A 75 -0.391 -35.755 0.030 1.00 34.12 C ATOM 1150 SD MET A 75 0.081 -36.252 -1.640 1.00 53.33 S ATOM 1151 CE MET A 75 -0.692 -34.967 -2.619 1.00 73.05 C ATOM 0 H MET A 75 -1.760 -37.151 2.237 1.00 3.01 H new ATOM 0 HA MET A 75 -1.807 -34.305 1.852 1.00 44.15 H new ATOM 0 HB2 MET A 75 -2.332 -36.666 0.018 1.00 64.55 H new ATOM 0 HB3 MET A 75 -2.320 -34.998 -0.520 1.00 64.55 H new ATOM 0 HG2 MET A 75 0.045 -34.781 0.251 1.00 34.12 H new ATOM 0 HG3 MET A 75 0.027 -36.462 0.747 1.00 34.12 H new ATOM 0 HE1 MET A 75 -0.205 -34.909 -3.592 1.00 73.05 H new ATOM 0 HE2 MET A 75 -1.748 -35.199 -2.755 1.00 73.05 H new ATOM 0 HE3 MET A 75 -0.594 -34.010 -2.106 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.274 -33.712 1.404 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.693 -33.328 1.497 1.00 54.22 C ATOM 1163 C PRO A 76 -6.555 -33.967 0.395 1.00 61.51 C ATOM 1164 O PRO A 76 -7.140 -35.031 0.597 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.641 -31.794 1.371 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.419 -31.538 0.558 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.420 -32.571 1.011 1.00 32.14 C ATOM 0 HA PRO A 76 -6.161 -33.671 2.420 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.534 -31.404 0.883 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.577 -31.316 2.348 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.628 -31.633 -0.508 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.042 -30.528 0.720 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.729 -32.841 0.213 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -2.818 -32.211 1.846 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.640 -33.316 -0.764 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.354 -33.871 -1.909 1.00 24.23 C ATOM 1177 C ARG A 77 -6.834 -33.241 -3.189 1.00 64.03 C ATOM 1178 O ARG A 77 -6.486 -32.058 -3.209 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.859 -33.617 -1.803 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.703 -34.461 -2.754 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.199 -34.239 -2.546 1.00 35.21 C ATOM 1182 NE ARG A 77 -11.994 -34.845 -3.618 1.00 33.43 N ATOM 1183 CZ ARG A 77 -13.297 -35.120 -3.529 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -13.945 -34.949 -2.382 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -13.944 -35.590 -4.583 1.00 24.22 N ATOM 0 H ARG A 77 -6.222 -32.401 -0.933 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.184 -34.948 -1.921 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.178 -33.814 -0.780 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.053 -32.563 -2.001 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.441 -34.218 -3.784 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.470 -35.515 -2.606 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.499 -34.662 -1.587 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -11.405 -33.170 -2.501 1.00 35.21 H new ATOM 0 HE ARG A 77 -11.519 -35.072 -4.492 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -13.447 -34.605 -1.561 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -14.941 -35.161 -2.322 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -13.447 -35.741 -5.461 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -14.940 -35.801 -4.518 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.818 -34.020 -4.255 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.349 -33.546 -5.554 1.00 10.22 C ATOM 1201 C GLU A 78 -7.308 -32.494 -6.095 1.00 23.31 C ATOM 1202 O GLU A 78 -6.897 -31.528 -6.740 1.00 30.35 O ATOM 1203 CB GLU A 78 -6.219 -34.705 -6.552 1.00 42.54 C ATOM 1204 CG GLU A 78 -5.174 -35.746 -6.163 1.00 21.42 C ATOM 1205 CD GLU A 78 -4.950 -36.779 -7.256 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -5.747 -37.734 -7.355 1.00 3.12 O ATOM 1207 OE2 GLU A 78 -3.986 -36.631 -8.036 1.00 24.35 O ATOM 0 H GLU A 78 -7.126 -34.992 -4.251 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.362 -33.103 -5.422 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -7.187 -35.196 -6.650 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.966 -34.300 -7.532 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -4.231 -35.245 -5.941 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -5.490 -36.250 -5.250 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.592 -32.697 -5.818 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.629 -31.755 -6.209 1.00 62.11 C ATOM 1216 C GLU A 79 -9.404 -30.404 -5.539 1.00 42.33 C ATOM 1217 O GLU A 79 -9.464 -29.364 -6.190 1.00 30.53 O ATOM 1218 CB GLU A 79 -11.012 -32.296 -5.833 1.00 33.44 C ATOM 1219 CG GLU A 79 -12.154 -31.355 -6.186 1.00 54.04 C ATOM 1220 CD GLU A 79 -13.500 -31.884 -5.732 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -14.149 -32.615 -6.506 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -13.913 -31.575 -4.595 1.00 35.35 O ATOM 0 H GLU A 79 -8.940 -33.516 -5.319 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.581 -31.625 -7.290 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -11.169 -33.249 -6.338 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.035 -32.495 -4.762 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.975 -30.383 -5.727 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -12.173 -31.199 -7.265 1.00 54.04 H new ATOM 1229 N ASP A 80 -9.137 -30.429 -4.233 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.906 -29.199 -3.479 1.00 23.21 C ATOM 1231 C ASP A 80 -7.615 -28.525 -3.933 1.00 50.24 C ATOM 1232 O ASP A 80 -7.539 -27.301 -3.995 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.879 -29.477 -1.969 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.258 -29.820 -1.418 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.751 -30.938 -1.687 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.866 -28.974 -0.723 1.00 72.24 O ATOM 0 H ASP A 80 -9.076 -31.283 -3.679 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.733 -28.518 -3.678 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.194 -30.300 -1.766 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.489 -28.602 -1.448 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.603 -29.331 -4.265 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.349 -28.803 -4.806 1.00 75.11 C ATOM 1243 C ILE A 81 -5.605 -28.083 -6.130 1.00 23.01 C ATOM 1244 O ILE A 81 -5.078 -26.997 -6.374 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.293 -29.926 -5.016 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.917 -30.568 -3.665 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -3.048 -29.378 -5.715 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -3.003 -31.772 -3.786 1.00 11.21 C ATOM 0 H ILE A 81 -6.627 -30.346 -4.169 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.951 -28.097 -4.077 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.731 -30.693 -5.656 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.432 -29.818 -3.041 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.830 -30.868 -3.151 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.324 -30.181 -5.851 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.326 -28.972 -6.687 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.606 -28.590 -5.105 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.786 -32.165 -2.793 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.493 -32.542 -4.382 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -2.073 -31.475 -4.270 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.439 -28.691 -6.970 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.848 -28.115 -8.231 1.00 13.24 C ATOM 1262 C GLU A 82 -7.595 -26.803 -7.981 1.00 5.44 C ATOM 1263 O GLU A 82 -7.248 -25.744 -8.521 1.00 1.51 O ATOM 1264 CB GLU A 82 -7.755 -29.136 -8.936 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.424 -28.624 -10.193 1.00 75.31 C ATOM 1266 CD GLU A 82 -7.516 -28.666 -11.411 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -6.674 -27.762 -11.568 1.00 14.40 O ATOM 1268 OE2 GLU A 82 -7.640 -29.615 -12.220 1.00 2.33 O ATOM 0 H GLU A 82 -6.849 -29.606 -6.785 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.984 -27.892 -8.858 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -7.162 -30.015 -9.188 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -8.526 -29.461 -8.237 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -9.315 -29.219 -10.391 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.755 -27.599 -10.029 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.595 -26.903 -7.109 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.489 -25.802 -6.764 1.00 64.02 C ATOM 1277 C ARG A 83 -8.700 -24.594 -6.269 1.00 23.45 C ATOM 1278 O ARG A 83 -8.915 -23.470 -6.732 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.483 -26.303 -5.695 1.00 1.04 C ATOM 1280 CG ARG A 83 -11.672 -25.380 -5.402 1.00 32.11 C ATOM 1281 CD ARG A 83 -11.370 -24.328 -4.334 1.00 70.23 C ATOM 1282 NE ARG A 83 -10.744 -24.885 -3.127 1.00 52.13 N ATOM 1283 CZ ARG A 83 -11.231 -25.894 -2.391 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -12.386 -26.479 -2.700 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -10.565 -26.301 -1.321 1.00 32.14 N ATOM 0 H ARG A 83 -8.810 -27.768 -6.613 1.00 62.13 H new ATOM 0 HA ARG A 83 -10.039 -25.477 -7.648 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.869 -27.272 -6.011 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.936 -26.466 -4.766 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -11.970 -24.878 -6.323 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -12.521 -25.983 -5.079 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -10.713 -23.569 -4.758 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -12.297 -23.827 -4.055 1.00 70.23 H new ATOM 0 HE ARG A 83 -9.864 -24.468 -2.823 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -12.918 -26.161 -3.510 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -12.739 -27.245 -2.127 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -9.689 -25.847 -1.063 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -10.928 -27.068 -0.755 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.770 -24.830 -5.346 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.980 -23.752 -4.768 1.00 41.51 C ATOM 1301 C VAL A 84 -5.991 -23.184 -5.795 1.00 42.42 C ATOM 1302 O VAL A 84 -5.975 -21.979 -6.037 1.00 71.31 O ATOM 1303 CB VAL A 84 -6.232 -24.198 -3.474 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -5.143 -25.228 -3.766 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.652 -22.992 -2.738 1.00 65.02 C ATOM 0 H VAL A 84 -7.547 -25.757 -4.985 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.678 -22.964 -4.484 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.967 -24.679 -2.828 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.649 -25.509 -2.836 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.591 -26.112 -4.221 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -4.411 -24.799 -4.450 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -5.135 -23.328 -1.839 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.948 -22.473 -3.388 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.458 -22.313 -2.460 1.00 65.02 H new ATOM 1315 N ARG A 85 -5.202 -24.052 -6.434 1.00 32.12 N ATOM 1316 CA ARG A 85 -4.149 -23.605 -7.349 1.00 63.21 C ATOM 1317 C ARG A 85 -4.719 -22.740 -8.473 1.00 31.04 C ATOM 1318 O ARG A 85 -4.156 -21.694 -8.793 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.367 -24.793 -7.941 1.00 13.42 C ATOM 1320 CG ARG A 85 -4.143 -25.619 -8.963 1.00 50.13 C ATOM 1321 CD ARG A 85 -3.289 -26.722 -9.581 1.00 12.03 C ATOM 1322 NE ARG A 85 -4.030 -27.467 -10.601 1.00 64.53 N ATOM 1323 CZ ARG A 85 -3.491 -28.369 -11.425 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -2.197 -28.655 -11.358 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -4.256 -28.974 -12.319 1.00 44.23 N ATOM 0 H ARG A 85 -5.272 -25.065 -6.335 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.457 -23.000 -6.763 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.460 -24.415 -8.412 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -3.054 -25.447 -7.127 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -5.015 -26.063 -8.482 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.513 -24.964 -9.751 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.395 -26.285 -10.026 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -2.955 -27.406 -8.800 1.00 12.03 H new ATOM 0 HE ARG A 85 -5.030 -27.284 -10.688 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.606 -28.184 -10.673 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -1.794 -29.345 -11.991 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -5.250 -28.750 -12.375 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -3.852 -29.664 -12.952 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.841 -23.160 -9.059 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.436 -22.398 -10.163 1.00 61.13 C ATOM 1341 C ARG A 86 -7.027 -21.085 -9.655 1.00 43.24 C ATOM 1342 O ARG A 86 -7.020 -20.074 -10.357 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.499 -23.213 -10.920 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.726 -23.596 -10.099 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.774 -24.293 -10.960 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.893 -24.810 -10.167 1.00 1.42 N ATOM 1347 CZ ARG A 86 -12.135 -24.325 -10.210 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -12.422 -23.263 -10.958 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -13.094 -24.905 -9.497 1.00 54.51 N ATOM 0 H ARG A 86 -6.349 -24.005 -8.797 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.636 -22.173 -10.868 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.826 -22.639 -11.787 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.035 -24.124 -11.298 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.429 -24.253 -9.282 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.158 -22.702 -9.649 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -10.153 -23.593 -11.705 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -9.307 -25.114 -11.503 1.00 34.11 H new ATOM 0 HE ARG A 86 -10.710 -25.593 -9.540 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -11.689 -22.812 -11.506 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -13.375 -22.900 -10.984 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -12.879 -25.718 -8.920 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -14.045 -24.537 -9.527 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.519 -21.103 -8.418 1.00 53.04 N ATOM 1364 CA HIS A 87 -8.046 -19.901 -7.781 1.00 5.31 C ATOM 1365 C HIS A 87 -6.913 -18.914 -7.525 1.00 35.45 C ATOM 1366 O HIS A 87 -7.094 -17.701 -7.613 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.750 -20.256 -6.466 1.00 31.33 C ATOM 1368 CG HIS A 87 -9.283 -19.063 -5.724 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.482 -18.462 -6.036 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.775 -18.355 -4.681 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.687 -17.440 -5.224 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.667 -17.354 -4.394 1.00 10.01 N ATOM 0 H HIS A 87 -7.563 -21.940 -7.837 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.776 -19.440 -8.447 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.573 -20.938 -6.678 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -8.051 -20.790 -5.823 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.842 -18.546 -4.172 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.546 -16.785 -5.238 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.559 -16.656 -3.658 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.751 -19.454 -7.190 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.545 -18.663 -6.966 1.00 61.31 C ATOM 1383 C LEU A 88 -3.963 -18.176 -8.294 1.00 10.22 C ATOM 1384 O LEU A 88 -3.421 -17.064 -8.386 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.519 -19.503 -6.188 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.692 -19.512 -4.654 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -3.178 -18.209 -4.046 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -5.150 -19.729 -4.255 1.00 1.22 C ATOM 0 H LEU A 88 -5.615 -20.457 -7.065 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.799 -17.782 -6.376 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.570 -20.531 -6.548 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.521 -19.133 -6.421 1.00 25.40 H new ATOM 0 HG LEU A 88 -3.105 -20.344 -4.266 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -3.309 -18.236 -2.964 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -2.120 -18.090 -4.281 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.737 -17.369 -4.459 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -5.234 -19.729 -3.168 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.763 -18.927 -4.666 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.496 -20.686 -4.646 1.00 1.22 H new ATOM 1400 N ALA A 89 -4.102 -19.009 -9.322 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.639 -18.680 -10.666 1.00 61.34 C ATOM 1402 C ALA A 89 -4.321 -17.412 -11.179 1.00 73.12 C ATOM 1403 O ALA A 89 -3.783 -16.717 -12.044 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.892 -19.849 -11.609 1.00 24.15 C ATOM 0 H ALA A 89 -4.538 -19.928 -9.247 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.566 -18.491 -10.627 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.543 -19.592 -12.609 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.355 -20.728 -11.252 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.960 -20.065 -11.642 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.504 -17.124 -10.636 1.00 4.52 N ATOM 1411 CA LEU A 90 -6.230 -15.899 -10.964 1.00 63.34 C ATOM 1412 C LEU A 90 -5.361 -14.677 -10.657 1.00 72.14 C ATOM 1413 O LEU A 90 -5.259 -13.755 -11.468 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.545 -15.820 -10.176 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.562 -16.940 -10.466 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.805 -16.782 -9.589 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.941 -16.957 -11.948 1.00 12.44 C ATOM 0 H LEU A 90 -5.981 -17.726 -9.964 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.466 -15.912 -12.028 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.311 -15.832 -9.111 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -8.018 -14.861 -10.387 1.00 43.21 H new ATOM 0 HG LEU A 90 -8.095 -17.895 -10.225 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.510 -17.583 -9.810 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.518 -16.831 -8.539 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.274 -15.819 -9.793 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.660 -17.756 -12.131 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -9.385 -16.000 -12.221 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -8.048 -17.128 -12.550 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.733 -14.687 -9.483 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.817 -13.617 -9.098 1.00 44.25 C ATOM 1431 C GLN A 91 -2.515 -13.756 -9.874 1.00 0.14 C ATOM 1432 O GLN A 91 -1.926 -12.762 -10.311 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.531 -13.645 -7.585 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.725 -13.262 -6.711 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.858 -14.276 -6.749 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -7.029 -13.920 -6.621 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.519 -15.548 -6.888 1.00 3.21 N ATOM 0 H GLN A 91 -4.842 -15.422 -8.784 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.286 -12.662 -9.335 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.200 -14.646 -7.308 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.706 -12.966 -7.371 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.388 -13.145 -5.681 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -5.105 -12.293 -7.034 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.538 -15.806 -6.992 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.239 -16.270 -6.891 1.00 3.21 H new ATOM 1446 N GLY A 92 -2.076 -14.999 -10.058 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.865 -15.252 -10.821 1.00 34.23 C ATOM 1448 C GLY A 92 -0.253 -16.602 -10.520 1.00 75.14 C ATOM 1449 O GLY A 92 -0.828 -17.400 -9.775 1.00 41.34 O ATOM 0 H GLY A 92 -2.536 -15.833 -9.693 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -1.092 -15.191 -11.885 1.00 34.23 H new ATOM 0 HA3 GLY A 92 -0.136 -14.471 -10.605 1.00 34.23 H new ATOM 1453 N TRP A 93 0.915 -16.859 -11.099 1.00 61.24 N ATOM 1454 CA TRP A 93 1.621 -18.121 -10.899 1.00 33.44 C ATOM 1455 C TRP A 93 3.123 -17.861 -10.776 1.00 44.25 C ATOM 1456 O TRP A 93 3.866 -17.972 -11.755 1.00 71.23 O ATOM 1457 CB TRP A 93 1.326 -19.087 -12.056 1.00 43.23 C ATOM 1458 CG TRP A 93 1.657 -20.516 -11.743 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.770 -21.213 -12.118 1.00 31.35 C ATOM 1460 CD2 TRP A 93 0.851 -21.425 -10.987 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.704 -22.498 -11.640 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.534 -22.654 -10.943 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.385 -21.315 -10.342 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.022 -23.764 -10.280 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.893 -22.415 -9.684 1.00 15.35 C ATOM 1466 CH2 TRP A 93 -0.189 -23.628 -9.657 1.00 55.20 C ATOM 0 H TRP A 93 1.397 -16.205 -11.716 1.00 61.24 H new ATOM 0 HA TRP A 93 1.272 -18.583 -9.976 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.270 -19.016 -12.318 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.893 -18.775 -12.933 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.583 -20.812 -12.705 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.411 -23.220 -11.781 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.932 -20.384 -10.359 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.561 -24.700 -10.258 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.847 -22.342 -9.182 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.612 -24.473 -9.133 1.00 55.20 H new ATOM 1477 N PRO A 94 3.589 -17.486 -9.571 1.00 44.24 N ATOM 1478 CA PRO A 94 4.991 -17.114 -9.338 1.00 44.31 C ATOM 1479 C PRO A 94 5.929 -18.321 -9.300 1.00 13.14 C ATOM 1480 O PRO A 94 7.149 -18.168 -9.352 1.00 65.31 O ATOM 1481 CB PRO A 94 4.939 -16.409 -7.981 1.00 70.01 C ATOM 1482 CG PRO A 94 3.793 -17.048 -7.275 1.00 24.04 C ATOM 1483 CD PRO A 94 2.780 -17.386 -8.339 1.00 52.13 C ATOM 0 HA PRO A 94 5.390 -16.494 -10.141 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.869 -16.541 -7.429 1.00 70.01 H new ATOM 0 HB3 PRO A 94 4.786 -15.336 -8.096 1.00 70.01 H new ATOM 0 HG2 PRO A 94 4.114 -17.944 -6.744 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.367 -16.373 -6.533 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.266 -18.322 -8.120 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.015 -16.614 -8.424 1.00 52.13 H new ATOM 1491 N LEU A 95 5.357 -19.519 -9.220 1.00 20.13 N ATOM 1492 CA LEU A 95 6.147 -20.754 -9.239 1.00 2.45 C ATOM 1493 C LEU A 95 6.652 -21.058 -10.651 1.00 23.05 C ATOM 1494 O LEU A 95 7.355 -22.047 -10.869 1.00 42.11 O ATOM 1495 CB LEU A 95 5.324 -21.944 -8.710 1.00 12.24 C ATOM 1496 CG LEU A 95 5.336 -22.143 -7.179 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.784 -20.922 -6.448 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.552 -23.399 -6.798 1.00 44.11 C ATOM 0 H LEU A 95 4.351 -19.665 -9.141 1.00 20.13 H new ATOM 0 HA LEU A 95 7.006 -20.605 -8.584 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.290 -21.818 -9.033 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.696 -22.855 -9.179 1.00 12.24 H new ATOM 0 HG LEU A 95 6.373 -22.269 -6.869 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.809 -21.100 -5.373 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.393 -20.050 -6.686 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.756 -20.743 -6.763 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.570 -23.525 -5.715 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.520 -23.300 -7.134 1.00 44.11 H new ATOM 0 HD23 LEU A 95 5.006 -24.269 -7.272 1.00 44.11 H new ATOM 1510 N ASP A 96 6.278 -20.211 -11.603 1.00 4.21 N ATOM 1511 CA ASP A 96 6.700 -20.370 -12.993 1.00 41.33 C ATOM 1512 C ASP A 96 8.141 -19.901 -13.182 1.00 64.42 C ATOM 1513 O ASP A 96 8.901 -20.492 -13.955 1.00 63.40 O ATOM 1514 CB ASP A 96 5.763 -19.588 -13.921 1.00 13.44 C ATOM 1515 CG ASP A 96 6.118 -19.760 -15.389 1.00 10.32 C ATOM 1516 OD1 ASP A 96 5.870 -20.856 -15.938 1.00 52.41 O ATOM 1517 OD2 ASP A 96 6.645 -18.808 -15.997 1.00 32.34 O ATOM 0 H ASP A 96 5.680 -19.402 -11.438 1.00 4.21 H new ATOM 0 HA ASP A 96 6.650 -21.429 -13.247 1.00 41.33 H new ATOM 0 HB2 ASP A 96 4.737 -19.918 -13.758 1.00 13.44 H new ATOM 0 HB3 ASP A 96 5.802 -18.530 -13.663 1.00 13.44 H new ATOM 1522 N ASP A 97 8.521 -18.850 -12.454 1.00 25.14 N ATOM 1523 CA ASP A 97 9.861 -18.266 -12.573 1.00 42.42 C ATOM 1524 C ASP A 97 10.546 -18.212 -11.199 1.00 63.11 C ATOM 1525 O ASP A 97 10.231 -17.365 -10.367 1.00 10.23 O ATOM 1526 CB ASP A 97 9.796 -16.861 -13.215 1.00 35.12 C ATOM 1527 CG ASP A 97 9.125 -15.804 -12.341 1.00 13.01 C ATOM 1528 OD1 ASP A 97 7.876 -15.780 -12.263 1.00 25.30 O ATOM 1529 OD2 ASP A 97 9.844 -14.985 -11.724 1.00 24.13 O ATOM 0 H ASP A 97 7.920 -18.384 -11.774 1.00 25.14 H new ATOM 0 HA ASP A 97 10.456 -18.903 -13.227 1.00 42.42 H new ATOM 0 HB2 ASP A 97 10.809 -16.533 -13.449 1.00 35.12 H new ATOM 0 HB3 ASP A 97 9.257 -16.930 -14.160 1.00 35.12 H new ATOM 1534 N PRO A 98 11.479 -19.140 -10.926 1.00 61.44 N ATOM 1535 CA PRO A 98 12.170 -19.210 -9.641 1.00 22.22 C ATOM 1536 C PRO A 98 13.466 -18.392 -9.601 1.00 64.45 C ATOM 1537 O PRO A 98 14.201 -18.322 -10.588 1.00 40.33 O ATOM 1538 CB PRO A 98 12.470 -20.705 -9.525 1.00 75.31 C ATOM 1539 CG PRO A 98 12.707 -21.155 -10.935 1.00 75.22 C ATOM 1540 CD PRO A 98 11.918 -20.220 -11.834 1.00 2.44 C ATOM 0 HA PRO A 98 11.575 -18.795 -8.827 1.00 22.22 H new ATOM 0 HB2 PRO A 98 13.344 -20.886 -8.899 1.00 75.31 H new ATOM 0 HB3 PRO A 98 11.637 -21.242 -9.072 1.00 75.31 H new ATOM 0 HG2 PRO A 98 13.769 -21.120 -11.178 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.383 -22.187 -11.071 1.00 75.22 H new ATOM 0 HD2 PRO A 98 12.533 -19.833 -12.646 1.00 2.44 H new ATOM 0 HD3 PRO A 98 11.069 -20.728 -12.291 1.00 2.44 H new ATOM 1548 N ARG A 99 13.732 -17.758 -8.455 1.00 2.21 N ATOM 1549 CA ARG A 99 15.039 -17.148 -8.215 1.00 74.20 C ATOM 1550 C ARG A 99 16.050 -18.250 -7.937 1.00 12.43 C ATOM 1551 O ARG A 99 17.189 -18.209 -8.396 1.00 11.52 O ATOM 1552 CB ARG A 99 15.018 -16.173 -7.035 1.00 55.11 C ATOM 1553 CG ARG A 99 14.475 -14.792 -7.379 1.00 55.34 C ATOM 1554 CD ARG A 99 14.772 -13.790 -6.271 1.00 0.14 C ATOM 1555 NE ARG A 99 16.201 -13.482 -6.159 1.00 74.25 N ATOM 1556 CZ ARG A 99 17.036 -14.031 -5.269 1.00 14.31 C ATOM 1557 NH1 ARG A 99 16.631 -15.031 -4.489 1.00 71.15 N ATOM 1558 NH2 ARG A 99 18.281 -13.598 -5.179 1.00 34.22 N ATOM 0 H ARG A 99 13.067 -17.655 -7.688 1.00 2.21 H new ATOM 0 HA ARG A 99 15.313 -16.580 -9.104 1.00 74.20 H new ATOM 0 HB2 ARG A 99 14.413 -16.600 -6.235 1.00 55.11 H new ATOM 0 HB3 ARG A 99 16.031 -16.067 -6.647 1.00 55.11 H new ATOM 0 HG2 ARG A 99 14.918 -14.447 -8.313 1.00 55.34 H new ATOM 0 HG3 ARG A 99 13.399 -14.852 -7.540 1.00 55.34 H new ATOM 0 HD2 ARG A 99 14.219 -12.870 -6.460 1.00 0.14 H new ATOM 0 HD3 ARG A 99 14.414 -14.187 -5.321 1.00 0.14 H new ATOM 0 HE ARG A 99 16.588 -12.797 -6.809 1.00 74.25 H new ATOM 0 HH11 ARG A 99 15.677 -15.385 -4.567 1.00 71.15 H new ATOM 0 HH12 ARG A 99 17.274 -15.444 -3.813 1.00 71.15 H new ATOM 0 HH21 ARG A 99 18.605 -12.846 -5.787 1.00 34.22 H new ATOM 0 HH22 ARG A 99 18.918 -14.016 -4.501 1.00 34.22 H new ATOM 1572 N ASP A 100 15.597 -19.236 -7.175 1.00 34.03 N ATOM 1573 CA ASP A 100 16.391 -20.405 -6.833 1.00 4.54 C ATOM 1574 C ASP A 100 15.462 -21.616 -6.854 1.00 5.05 C ATOM 1575 O ASP A 100 14.241 -21.451 -6.847 1.00 4.23 O ATOM 1576 CB ASP A 100 17.031 -20.234 -5.440 1.00 74.24 C ATOM 1577 CG ASP A 100 18.308 -21.051 -5.252 1.00 41.42 C ATOM 1578 OD1 ASP A 100 18.313 -22.257 -5.583 1.00 64.40 O ATOM 1579 OD2 ASP A 100 19.317 -20.482 -4.775 1.00 53.41 O ATOM 0 H ASP A 100 14.659 -19.246 -6.774 1.00 34.03 H new ATOM 0 HA ASP A 100 17.201 -20.538 -7.550 1.00 4.54 H new ATOM 0 HB2 ASP A 100 17.257 -19.180 -5.279 1.00 74.24 H new ATOM 0 HB3 ASP A 100 16.308 -20.525 -4.678 1.00 74.24 H new ATOM 1584 N GLY A 101 16.022 -22.815 -6.897 1.00 74.34 N ATOM 1585 CA GLY A 101 15.207 -24.017 -6.920 1.00 25.12 C ATOM 1586 C GLY A 101 15.792 -25.120 -6.065 1.00 52.40 C ATOM 1587 O GLY A 101 15.239 -26.220 -6.007 1.00 71.02 O ATOM 0 H GLY A 101 17.028 -22.980 -6.916 1.00 74.34 H new ATOM 0 HA2 GLY A 101 14.203 -23.780 -6.568 1.00 25.12 H new ATOM 0 HA3 GLY A 101 15.110 -24.369 -7.947 1.00 25.12 H new ATOM 1591 N GLU A 102 16.902 -24.808 -5.394 1.00 61.22 N ATOM 1592 CA GLU A 102 17.644 -25.776 -4.590 1.00 32.33 C ATOM 1593 C GLU A 102 18.222 -26.878 -5.476 1.00 51.53 C ATOM 1594 O GLU A 102 17.500 -27.531 -6.238 1.00 60.02 O ATOM 1595 CB GLU A 102 16.762 -26.387 -3.493 1.00 34.42 C ATOM 1596 CG GLU A 102 17.528 -27.249 -2.498 1.00 13.32 C ATOM 1597 CD GLU A 102 18.572 -26.457 -1.730 1.00 54.40 C ATOM 1598 OE1 GLU A 102 19.708 -26.306 -2.233 1.00 20.04 O ATOM 1599 OE2 GLU A 102 18.264 -25.970 -0.624 1.00 2.40 O ATOM 0 H GLU A 102 17.311 -23.874 -5.394 1.00 61.22 H new ATOM 0 HA GLU A 102 18.464 -25.244 -4.107 1.00 32.33 H new ATOM 0 HB2 GLU A 102 16.261 -25.584 -2.953 1.00 34.42 H new ATOM 0 HB3 GLU A 102 15.984 -26.991 -3.960 1.00 34.42 H new ATOM 0 HG2 GLU A 102 16.827 -27.698 -1.795 1.00 13.32 H new ATOM 0 HG3 GLU A 102 18.015 -28.067 -3.029 1.00 13.32 H new ATOM 1606 N GLU A 103 19.522 -27.099 -5.362 1.00 70.30 N ATOM 1607 CA GLU A 103 20.201 -28.085 -6.193 1.00 12.44 C ATOM 1608 C GLU A 103 19.930 -29.495 -5.662 1.00 42.42 C ATOM 1609 O GLU A 103 19.767 -29.690 -4.454 1.00 71.41 O ATOM 1610 CB GLU A 103 21.710 -27.801 -6.246 1.00 24.55 C ATOM 1611 CG GLU A 103 22.414 -27.892 -4.900 1.00 24.21 C ATOM 1612 CD GLU A 103 23.918 -27.738 -5.023 1.00 42.24 C ATOM 1613 OE1 GLU A 103 24.561 -28.643 -5.599 1.00 25.23 O ATOM 1614 OE2 GLU A 103 24.467 -26.718 -4.557 1.00 42.02 O ATOM 0 H GLU A 103 20.129 -26.611 -4.704 1.00 70.30 H new ATOM 0 HA GLU A 103 19.811 -28.016 -7.208 1.00 12.44 H new ATOM 0 HB2 GLU A 103 22.176 -28.506 -6.935 1.00 24.55 H new ATOM 0 HB3 GLU A 103 21.866 -26.804 -6.657 1.00 24.55 H new ATOM 0 HG2 GLU A 103 22.025 -27.119 -4.237 1.00 24.21 H new ATOM 0 HG3 GLU A 103 22.186 -28.853 -4.438 1.00 24.21 H new ATOM 1621 N PRO A 104 19.873 -30.503 -6.554 1.00 15.24 N ATOM 1622 CA PRO A 104 19.548 -31.885 -6.172 1.00 63.11 C ATOM 1623 C PRO A 104 20.710 -32.608 -5.479 1.00 31.14 C ATOM 1624 O PRO A 104 20.739 -33.838 -5.424 1.00 73.41 O ATOM 1625 CB PRO A 104 19.217 -32.546 -7.516 1.00 43.14 C ATOM 1626 CG PRO A 104 20.038 -31.800 -8.513 1.00 23.44 C ATOM 1627 CD PRO A 104 20.115 -30.376 -8.010 1.00 13.25 C ATOM 0 HA PRO A 104 18.737 -31.925 -5.445 1.00 63.11 H new ATOM 0 HB2 PRO A 104 19.469 -33.607 -7.509 1.00 43.14 H new ATOM 0 HB3 PRO A 104 18.153 -32.472 -7.743 1.00 43.14 H new ATOM 0 HG2 PRO A 104 21.033 -32.236 -8.603 1.00 23.44 H new ATOM 0 HG3 PRO A 104 19.582 -31.840 -9.502 1.00 23.44 H new ATOM 0 HD2 PRO A 104 21.088 -29.931 -8.217 1.00 13.25 H new ATOM 0 HD3 PRO A 104 19.367 -29.742 -8.486 1.00 13.25 H new ATOM 1635 N ASP A 105 21.667 -31.843 -4.952 1.00 4.41 N ATOM 1636 CA ASP A 105 22.803 -32.424 -4.233 1.00 54.35 C ATOM 1637 C ASP A 105 23.296 -31.469 -3.146 1.00 44.21 C ATOM 1638 O ASP A 105 24.426 -31.569 -2.666 1.00 12.41 O ATOM 1639 CB ASP A 105 23.937 -32.768 -5.219 1.00 3.32 C ATOM 1640 CG ASP A 105 25.085 -33.529 -4.569 1.00 1.22 C ATOM 1641 OD1 ASP A 105 24.872 -34.688 -4.146 1.00 52.25 O ATOM 1642 OD2 ASP A 105 26.203 -32.973 -4.475 1.00 55.20 O ATOM 0 H ASP A 105 21.679 -30.825 -5.009 1.00 4.41 H new ATOM 0 HA ASP A 105 22.477 -33.345 -3.749 1.00 54.35 H new ATOM 0 HB2 ASP A 105 23.531 -33.364 -6.036 1.00 3.32 H new ATOM 0 HB3 ASP A 105 24.322 -31.847 -5.657 1.00 3.32 H new ATOM 1647 N GLY A 106 22.419 -30.569 -2.728 1.00 62.13 N ATOM 1648 CA GLY A 106 22.778 -29.579 -1.726 1.00 11.31 C ATOM 1649 C GLY A 106 21.575 -29.042 -0.983 1.00 65.20 C ATOM 1650 O GLY A 106 20.438 -29.410 -1.287 1.00 31.24 O ATOM 0 H GLY A 106 21.459 -30.504 -3.065 1.00 62.13 H new ATOM 0 HA2 GLY A 106 23.472 -30.024 -1.013 1.00 11.31 H new ATOM 0 HA3 GLY A 106 23.302 -28.753 -2.208 1.00 11.31 H new ATOM 1654 N GLU A 107 21.831 -28.194 0.006 1.00 23.42 N ATOM 1655 CA GLU A 107 20.772 -27.534 0.761 1.00 2.20 C ATOM 1656 C GLU A 107 21.214 -26.113 1.112 1.00 40.21 C ATOM 1657 O GLU A 107 21.761 -25.866 2.189 1.00 12.10 O ATOM 1658 CB GLU A 107 20.421 -28.322 2.034 1.00 33.32 C ATOM 1659 CG GLU A 107 19.263 -27.719 2.830 1.00 33.22 C ATOM 1660 CD GLU A 107 19.006 -28.438 4.145 1.00 63.21 C ATOM 1661 OE1 GLU A 107 19.818 -28.274 5.083 1.00 2.52 O ATOM 1662 OE2 GLU A 107 17.992 -29.161 4.257 1.00 44.23 O ATOM 0 H GLU A 107 22.773 -27.945 0.306 1.00 23.42 H new ATOM 0 HA GLU A 107 19.874 -27.493 0.145 1.00 2.20 H new ATOM 0 HB2 GLU A 107 20.167 -29.346 1.759 1.00 33.32 H new ATOM 0 HB3 GLU A 107 21.302 -28.373 2.674 1.00 33.32 H new ATOM 0 HG2 GLU A 107 19.476 -26.669 3.032 1.00 33.22 H new ATOM 0 HG3 GLU A 107 18.358 -27.749 2.223 1.00 33.22 H new ATOM 1669 N SER A 108 21.030 -25.192 0.172 1.00 21.32 N ATOM 1670 CA SER A 108 21.444 -23.801 0.354 1.00 31.33 C ATOM 1671 C SER A 108 20.628 -22.862 -0.536 1.00 60.00 C ATOM 1672 O SER A 108 20.924 -21.666 -0.634 1.00 11.30 O ATOM 1673 CB SER A 108 22.941 -23.657 0.044 1.00 12.23 C ATOM 1674 OG SER A 108 23.722 -24.483 0.899 1.00 51.11 O ATOM 0 H SER A 108 20.594 -25.383 -0.730 1.00 21.32 H new ATOM 0 HA SER A 108 21.263 -23.523 1.392 1.00 31.33 H new ATOM 0 HB2 SER A 108 23.128 -23.925 -0.996 1.00 12.23 H new ATOM 0 HB3 SER A 108 23.242 -22.616 0.164 1.00 12.23 H new ATOM 0 HG SER A 108 24.671 -24.375 0.681 1.00 51.11 H new ATOM 1680 N GLY A 109 19.587 -23.403 -1.160 1.00 11.40 N ATOM 1681 CA GLY A 109 18.752 -22.622 -2.053 1.00 74.12 C ATOM 1682 C GLY A 109 17.623 -21.934 -1.316 1.00 72.41 C ATOM 1683 O GLY A 109 16.842 -22.592 -0.626 1.00 14.04 O ATOM 0 H GLY A 109 19.305 -24.378 -1.061 1.00 11.40 H new ATOM 0 HA2 GLY A 109 19.363 -21.875 -2.560 1.00 74.12 H new ATOM 0 HA3 GLY A 109 18.339 -23.272 -2.824 1.00 74.12 H new ATOM 1687 N GLY A 110 17.553 -20.607 -1.427 1.00 13.43 N ATOM 1688 CA GLY A 110 16.478 -19.862 -0.789 1.00 33.40 C ATOM 1689 C GLY A 110 16.943 -18.574 -0.123 1.00 63.40 C ATOM 1690 O GLY A 110 16.494 -17.489 -0.506 1.00 25.54 O ATOM 0 H GLY A 110 18.220 -20.036 -1.946 1.00 13.43 H new ATOM 0 HA2 GLY A 110 15.720 -19.623 -1.535 1.00 33.40 H new ATOM 0 HA3 GLY A 110 16.001 -20.496 -0.042 1.00 33.40 H new ATOM 1694 N PRO A 111 17.853 -18.662 0.877 1.00 53.01 N ATOM 1695 CA PRO A 111 18.288 -17.503 1.684 1.00 61.42 C ATOM 1696 C PRO A 111 18.709 -16.291 0.845 1.00 45.21 C ATOM 1697 O PRO A 111 19.136 -16.426 -0.307 1.00 22.42 O ATOM 1698 CB PRO A 111 19.480 -18.054 2.480 1.00 10.14 C ATOM 1699 CG PRO A 111 19.213 -19.515 2.591 1.00 0.34 C ATOM 1700 CD PRO A 111 18.529 -19.906 1.307 1.00 40.33 C ATOM 0 HA PRO A 111 17.474 -17.124 2.302 1.00 61.42 H new ATOM 0 HB2 PRO A 111 20.422 -17.861 1.968 1.00 10.14 H new ATOM 0 HB3 PRO A 111 19.550 -17.588 3.463 1.00 10.14 H new ATOM 0 HG2 PRO A 111 20.140 -20.073 2.726 1.00 0.34 H new ATOM 0 HG3 PRO A 111 18.582 -19.733 3.452 1.00 0.34 H new ATOM 0 HD2 PRO A 111 19.245 -20.251 0.561 1.00 40.33 H new ATOM 0 HD3 PRO A 111 17.816 -20.716 1.463 1.00 40.33 H new ATOM 1708 N ARG A 112 18.572 -15.109 1.442 1.00 2.23 N ATOM 1709 CA ARG A 112 18.919 -13.850 0.786 1.00 23.43 C ATOM 1710 C ARG A 112 20.435 -13.653 0.774 1.00 64.04 C ATOM 1711 O ARG A 112 21.047 -13.811 -0.304 1.00 53.13 O ATOM 1712 CB ARG A 112 18.217 -12.678 1.494 1.00 24.42 C ATOM 1713 CG ARG A 112 18.545 -11.303 0.910 1.00 72.30 C ATOM 1714 CD ARG A 112 17.717 -10.203 1.566 1.00 52.41 C ATOM 1715 NE ARG A 112 18.119 -8.864 1.123 1.00 62.15 N ATOM 1716 CZ ARG A 112 17.298 -7.813 1.073 1.00 31.24 C ATOM 1717 NH1 ARG A 112 16.015 -7.946 1.382 1.00 32.13 N ATOM 1718 NH2 ARG A 112 17.763 -6.626 0.712 1.00 30.31 N ATOM 1719 OXT ARG A 112 21.012 -13.360 1.845 1.00 0.00 O ATOM 0 H ARG A 112 18.218 -14.997 2.392 1.00 2.23 H new ATOM 0 HA ARG A 112 18.577 -13.883 -0.248 1.00 23.43 H new ATOM 0 HB2 ARG A 112 17.139 -12.833 1.446 1.00 24.42 H new ATOM 0 HB3 ARG A 112 18.493 -12.687 2.548 1.00 24.42 H new ATOM 0 HG2 ARG A 112 19.606 -11.092 1.048 1.00 72.30 H new ATOM 0 HG3 ARG A 112 18.358 -11.309 -0.164 1.00 72.30 H new ATOM 0 HD2 ARG A 112 16.663 -10.358 1.335 1.00 52.41 H new ATOM 0 HD3 ARG A 112 17.820 -10.271 2.649 1.00 52.41 H new ATOM 0 HE ARG A 112 19.088 -8.727 0.835 1.00 62.15 H new ATOM 0 HH11 ARG A 112 15.649 -8.857 1.660 1.00 32.13 H new ATOM 0 HH12 ARG A 112 15.394 -7.138 1.341 1.00 32.13 H new ATOM 0 HH21 ARG A 112 18.748 -6.516 0.472 1.00 30.31 H new ATOM 0 HH22 ARG A 112 17.136 -5.823 0.674 1.00 30.31 H new TER 1733 ARG A 112