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 -74:sc= 1.19 USER MOD Set 1.2: A 71 MET CE :methyl 154:sc= -0.136 (180deg=-2.22!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -48:sc= 0.421 USER MOD Single : A 5 MET CE :methyl -153:sc= -0.0897 (180deg=-1.83) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 139:sc= -0.0234 (180deg=-0.258) USER MOD Single : A 18 ASN : amide:sc= 0.33 K(o=0.33,f=-6!) USER MOD Single : A 21 TYR OH : rot 90:sc= -0.56 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.607 (180deg=-1.01) USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= -0.995! (180deg=-4.15!) USER MOD Single : A 58 HIS : no HE2:sc= -0.88 X(o=-0.88,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.11) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -166:sc= -0.0523 (180deg=-0.38) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.56) USER MOD Single : A 108 SER OG : rot 49:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.568 -0.225 6.948 1.00 73.34 N ATOM 2 CA GLY A 1 7.266 -1.675 6.953 1.00 62.13 C ATOM 3 C GLY A 1 8.046 -2.425 5.887 1.00 61.10 C ATOM 4 O GLY A 1 9.222 -2.737 6.086 1.00 24.12 O ATOM 0 H1 GLY A 1 7.014 0.248 7.691 1.00 73.34 H new ATOM 0 H2 GLY A 1 8.582 -0.081 7.128 1.00 73.34 H new ATOM 0 H3 GLY A 1 7.320 0.178 6.022 1.00 73.34 H new ATOM 0 HA2 GLY A 1 7.501 -2.090 7.933 1.00 62.13 H new ATOM 0 HA3 GLY A 1 6.198 -1.823 6.792 1.00 62.13 H new ATOM 10 N PRO A 2 7.422 -2.728 4.734 1.00 54.02 N ATOM 11 CA PRO A 2 8.086 -3.442 3.640 1.00 54.14 C ATOM 12 C PRO A 2 9.138 -2.573 2.946 1.00 12.11 C ATOM 13 O PRO A 2 8.824 -1.497 2.434 1.00 30.53 O ATOM 14 CB PRO A 2 6.936 -3.791 2.672 1.00 64.44 C ATOM 15 CG PRO A 2 5.674 -3.491 3.420 1.00 74.42 C ATOM 16 CD PRO A 2 6.027 -2.406 4.397 1.00 51.33 C ATOM 0 HA PRO A 2 8.627 -4.320 3.994 1.00 54.14 H new ATOM 0 HB2 PRO A 2 7.000 -3.200 1.758 1.00 64.44 H new ATOM 0 HB3 PRO A 2 6.977 -4.839 2.377 1.00 64.44 H new ATOM 0 HG2 PRO A 2 4.885 -3.165 2.742 1.00 74.42 H new ATOM 0 HG3 PRO A 2 5.305 -4.377 3.936 1.00 74.42 H new ATOM 0 HD2 PRO A 2 5.934 -1.414 3.954 1.00 51.33 H new ATOM 0 HD3 PRO A 2 5.382 -2.424 5.275 1.00 51.33 H new ATOM 24 N GLY A 3 10.384 -3.039 2.949 1.00 32.55 N ATOM 25 CA GLY A 3 11.461 -2.317 2.294 1.00 61.02 C ATOM 26 C GLY A 3 12.608 -3.241 1.934 1.00 31.51 C ATOM 27 O GLY A 3 13.589 -3.337 2.675 1.00 24.10 O ATOM 0 H GLY A 3 10.668 -3.910 3.397 1.00 32.55 H new ATOM 0 HA2 GLY A 3 11.083 -1.836 1.392 1.00 61.02 H new ATOM 0 HA3 GLY A 3 11.822 -1.525 2.950 1.00 61.02 H new ATOM 31 N SER A 4 12.465 -3.940 0.806 1.00 41.20 N ATOM 32 CA SER A 4 13.461 -4.914 0.359 1.00 34.13 C ATOM 33 C SER A 4 13.687 -5.960 1.455 1.00 22.30 C ATOM 34 O SER A 4 14.807 -6.439 1.670 1.00 41.31 O ATOM 35 CB SER A 4 14.773 -4.201 -0.015 1.00 5.34 C ATOM 36 OG SER A 4 15.701 -5.097 -0.601 1.00 55.43 O ATOM 0 H SER A 4 11.663 -3.848 0.182 1.00 41.20 H new ATOM 0 HA SER A 4 13.096 -5.425 -0.532 1.00 34.13 H new ATOM 0 HB2 SER A 4 14.562 -3.388 -0.710 1.00 5.34 H new ATOM 0 HB3 SER A 4 15.212 -3.752 0.876 1.00 5.34 H new ATOM 0 HG SER A 4 15.762 -5.908 -0.055 1.00 55.43 H new ATOM 42 N MET A 5 12.598 -6.314 2.131 1.00 64.41 N ATOM 43 CA MET A 5 12.627 -7.243 3.259 1.00 24.34 C ATOM 44 C MET A 5 13.139 -8.618 2.830 1.00 51.43 C ATOM 45 O MET A 5 14.282 -8.986 3.111 1.00 54.22 O ATOM 46 CB MET A 5 11.219 -7.352 3.870 1.00 2.21 C ATOM 47 CG MET A 5 11.087 -8.336 5.033 1.00 62.13 C ATOM 48 SD MET A 5 12.064 -7.882 6.485 1.00 65.44 S ATOM 49 CE MET A 5 13.560 -8.826 6.206 1.00 30.13 C ATOM 0 H MET A 5 11.666 -5.963 1.912 1.00 64.41 H new ATOM 0 HA MET A 5 13.316 -6.859 4.011 1.00 24.34 H new ATOM 0 HB2 MET A 5 10.913 -6.364 4.215 1.00 2.21 H new ATOM 0 HB3 MET A 5 10.522 -7.646 3.085 1.00 2.21 H new ATOM 0 HG2 MET A 5 10.038 -8.407 5.320 1.00 62.13 H new ATOM 0 HG3 MET A 5 11.393 -9.326 4.696 1.00 62.13 H new ATOM 0 HE1 MET A 5 14.034 -9.047 7.162 1.00 30.13 H new ATOM 0 HE2 MET A 5 13.312 -9.759 5.699 1.00 30.13 H new ATOM 0 HE3 MET A 5 14.245 -8.247 5.586 1.00 30.13 H new ATOM 59 N VAL A 6 12.290 -9.362 2.144 1.00 42.23 N ATOM 60 CA VAL A 6 12.618 -10.712 1.692 1.00 64.21 C ATOM 61 C VAL A 6 13.123 -10.708 0.256 1.00 41.01 C ATOM 62 O VAL A 6 13.085 -9.680 -0.430 1.00 75.33 O ATOM 63 CB VAL A 6 11.387 -11.644 1.797 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.052 -11.930 3.260 1.00 60.22 C ATOM 65 CG2 VAL A 6 10.186 -11.025 1.084 1.00 11.52 C ATOM 0 H VAL A 6 11.354 -9.053 1.882 1.00 42.23 H new ATOM 0 HA VAL A 6 13.409 -11.085 2.343 1.00 64.21 H new ATOM 0 HB VAL A 6 11.629 -12.589 1.310 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.184 -12.587 3.313 1.00 60.22 H new ATOM 0 HG12 VAL A 6 11.903 -12.414 3.740 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.830 -10.994 3.772 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.329 -11.693 1.168 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.945 -10.066 1.543 1.00 11.52 H new ATOM 0 HG23 VAL A 6 10.426 -10.873 0.032 1.00 11.52 H new ATOM 75 N ASN A 7 13.619 -11.867 -0.175 1.00 53.22 N ATOM 76 CA ASN A 7 14.054 -12.085 -1.557 1.00 71.21 C ATOM 77 C ASN A 7 12.942 -11.725 -2.538 1.00 44.52 C ATOM 78 O ASN A 7 11.761 -11.736 -2.179 1.00 33.22 O ATOM 79 CB ASN A 7 14.459 -13.555 -1.747 1.00 54.12 C ATOM 80 CG ASN A 7 15.889 -13.853 -1.335 1.00 14.33 C ATOM 81 OD1 ASN A 7 16.817 -13.753 -2.139 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.078 -14.243 -0.085 1.00 52.12 N ATOM 0 H ASN A 7 13.731 -12.684 0.425 1.00 53.22 H new ATOM 0 HA ASN A 7 14.911 -11.442 -1.756 1.00 71.21 H new ATOM 0 HB2 ASN A 7 13.785 -14.186 -1.168 1.00 54.12 H new ATOM 0 HB3 ASN A 7 14.328 -13.826 -2.795 1.00 54.12 H new ATOM 0 HD21 ASN A 7 17.017 -14.473 0.241 1.00 52.12 H new ATOM 0 HD22 ASN A 7 15.285 -14.314 0.553 1.00 52.12 H new ATOM 89 N ALA A 8 13.325 -11.433 -3.782 1.00 60.32 N ATOM 90 CA ALA A 8 12.373 -11.028 -4.816 1.00 3.34 C ATOM 91 C ALA A 8 11.263 -12.066 -4.982 1.00 60.24 C ATOM 92 O ALA A 8 10.079 -11.744 -4.875 1.00 14.22 O ATOM 93 CB ALA A 8 13.096 -10.796 -6.144 1.00 31.02 C ATOM 0 H ALA A 8 14.294 -11.470 -4.099 1.00 60.32 H new ATOM 0 HA ALA A 8 11.911 -10.092 -4.502 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.374 -10.495 -6.903 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.841 -10.010 -6.020 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.588 -11.717 -6.456 1.00 31.02 H new ATOM 99 N PHE A 9 11.660 -13.317 -5.222 1.00 32.01 N ATOM 100 CA PHE A 9 10.704 -14.413 -5.404 1.00 51.44 C ATOM 101 C PHE A 9 9.750 -14.511 -4.211 1.00 64.40 C ATOM 102 O PHE A 9 8.534 -14.624 -4.375 1.00 61.22 O ATOM 103 CB PHE A 9 11.457 -15.741 -5.590 1.00 13.33 C ATOM 104 CG PHE A 9 10.560 -16.917 -5.888 1.00 33.31 C ATOM 105 CD1 PHE A 9 10.068 -17.121 -7.167 1.00 74.23 C ATOM 106 CD2 PHE A 9 10.213 -17.815 -4.891 1.00 60.44 C ATOM 107 CE1 PHE A 9 9.247 -18.197 -7.443 1.00 51.30 C ATOM 108 CE2 PHE A 9 9.393 -18.892 -5.164 1.00 44.20 C ATOM 109 CZ PHE A 9 8.910 -19.083 -6.442 1.00 62.30 C ATOM 0 H PHE A 9 12.638 -13.598 -5.295 1.00 32.01 H new ATOM 0 HA PHE A 9 10.113 -14.208 -6.296 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.175 -15.629 -6.403 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.029 -15.953 -4.686 1.00 13.33 H new ATOM 0 HD1 PHE A 9 10.329 -16.432 -7.956 1.00 74.23 H new ATOM 0 HD2 PHE A 9 10.588 -17.671 -3.889 1.00 60.44 H new ATOM 0 HE1 PHE A 9 8.869 -18.344 -8.444 1.00 51.30 H new ATOM 0 HE2 PHE A 9 9.130 -19.584 -4.378 1.00 44.20 H new ATOM 0 HZ PHE A 9 8.269 -19.925 -6.658 1.00 62.30 H new ATOM 119 N LEU A 10 10.319 -14.443 -3.012 1.00 11.31 N ATOM 120 CA LEU A 10 9.550 -14.588 -1.779 1.00 65.43 C ATOM 121 C LEU A 10 8.540 -13.453 -1.628 1.00 12.34 C ATOM 122 O LEU A 10 7.396 -13.677 -1.225 1.00 22.41 O ATOM 123 CB LEU A 10 10.491 -14.654 -0.564 1.00 53.03 C ATOM 124 CG LEU A 10 11.201 -16.007 -0.352 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.178 -17.109 -0.108 1.00 60.00 C ATOM 126 CD2 LEU A 10 12.095 -16.368 -1.538 1.00 5.43 C ATOM 0 H LEU A 10 11.317 -14.287 -2.867 1.00 11.31 H new ATOM 0 HA LEU A 10 8.992 -15.523 -1.831 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.249 -13.878 -0.670 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.917 -14.419 0.332 1.00 53.03 H new ATOM 0 HG LEU A 10 11.839 -15.911 0.527 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.694 -18.058 0.040 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.593 -16.872 0.780 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.515 -17.187 -0.969 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.578 -17.327 -1.351 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.490 -16.436 -2.442 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.856 -15.598 -1.668 1.00 5.43 H new ATOM 138 N ALA A 11 8.967 -12.238 -1.963 1.00 51.23 N ATOM 139 CA ALA A 11 8.078 -11.081 -1.952 1.00 43.20 C ATOM 140 C ALA A 11 6.897 -11.309 -2.892 1.00 60.02 C ATOM 141 O ALA A 11 5.747 -11.006 -2.556 1.00 21.33 O ATOM 142 CB ALA A 11 8.839 -9.820 -2.349 1.00 15.33 C ATOM 0 H ALA A 11 9.925 -12.030 -2.246 1.00 51.23 H new ATOM 0 HA ALA A 11 7.695 -10.949 -0.940 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.161 -8.967 -2.336 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.652 -9.649 -1.644 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.248 -9.943 -3.352 1.00 15.33 H new ATOM 148 N LYS A 12 7.196 -11.857 -4.070 1.00 75.22 N ATOM 149 CA LYS A 12 6.169 -12.197 -5.052 1.00 3.03 C ATOM 150 C LYS A 12 5.180 -13.202 -4.468 1.00 75.15 C ATOM 151 O LYS A 12 3.974 -13.045 -4.622 1.00 72.25 O ATOM 152 CB LYS A 12 6.802 -12.762 -6.340 1.00 62.31 C ATOM 153 CG LYS A 12 7.111 -11.709 -7.404 1.00 64.45 C ATOM 154 CD LYS A 12 7.991 -10.578 -6.876 1.00 25.11 C ATOM 155 CE LYS A 12 8.304 -9.551 -7.961 1.00 55.23 C ATOM 156 NZ LYS A 12 7.067 -8.986 -8.561 1.00 30.21 N ATOM 0 H LYS A 12 8.147 -12.075 -4.367 1.00 75.22 H new ATOM 0 HA LYS A 12 5.632 -11.283 -5.306 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.725 -13.280 -6.080 1.00 62.31 H new ATOM 0 HB3 LYS A 12 6.128 -13.505 -6.766 1.00 62.31 H new ATOM 0 HG2 LYS A 12 7.608 -12.187 -8.248 1.00 64.45 H new ATOM 0 HG3 LYS A 12 6.176 -11.292 -7.779 1.00 64.45 H new ATOM 0 HD2 LYS A 12 7.489 -10.086 -6.043 1.00 25.11 H new ATOM 0 HD3 LYS A 12 8.922 -10.992 -6.488 1.00 25.11 H new ATOM 0 HE2 LYS A 12 8.903 -8.745 -7.537 1.00 55.23 H new ATOM 0 HE3 LYS A 12 8.905 -10.018 -8.741 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 7.187 -7.963 -8.706 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 6.883 -9.446 -9.475 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 6.264 -9.153 -7.922 1.00 30.21 H new ATOM 170 N ILE A 13 5.696 -14.227 -3.794 1.00 44.14 N ATOM 171 CA ILE A 13 4.842 -15.260 -3.205 1.00 31.13 C ATOM 172 C ILE A 13 3.922 -14.675 -2.128 1.00 54.15 C ATOM 173 O ILE A 13 2.714 -14.919 -2.138 1.00 11.24 O ATOM 174 CB ILE A 13 5.678 -16.419 -2.599 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.563 -17.064 -3.677 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.769 -17.468 -1.951 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.787 -17.707 -4.807 1.00 1.42 C ATOM 0 H ILE A 13 6.695 -14.366 -3.642 1.00 44.14 H new ATOM 0 HA ILE A 13 4.231 -15.659 -4.014 1.00 31.13 H new ATOM 0 HB ILE A 13 6.322 -16.004 -1.824 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.225 -16.304 -4.091 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.196 -17.818 -3.209 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.378 -18.270 -1.534 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.187 -17.003 -1.155 1.00 34.00 H new ATOM 0 HG23 ILE A 13 4.094 -17.879 -2.702 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.483 -18.139 -5.526 1.00 1.42 H new ATOM 0 HD12 ILE A 13 5.144 -18.491 -4.407 1.00 1.42 H new ATOM 0 HD13 ILE A 13 5.174 -16.954 -5.302 1.00 1.42 H new ATOM 189 N ALA A 14 4.500 -13.903 -1.206 1.00 10.43 N ATOM 190 CA ALA A 14 3.734 -13.275 -0.132 1.00 65.03 C ATOM 191 C ALA A 14 2.619 -12.386 -0.693 1.00 45.24 C ATOM 192 O ALA A 14 1.467 -12.468 -0.257 1.00 22.51 O ATOM 193 CB ALA A 14 4.659 -12.466 0.771 1.00 21.21 C ATOM 0 H ALA A 14 5.499 -13.698 -1.183 1.00 10.43 H new ATOM 0 HA ALA A 14 3.267 -14.064 0.458 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.076 -12.003 1.567 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.410 -13.125 1.207 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.153 -11.691 0.185 1.00 21.21 H new ATOM 199 N ALA A 15 2.967 -11.546 -1.669 1.00 74.24 N ATOM 200 CA ALA A 15 1.997 -10.649 -2.299 1.00 32.11 C ATOM 201 C ALA A 15 0.923 -11.443 -3.044 1.00 51.43 C ATOM 202 O ALA A 15 -0.274 -11.225 -2.851 1.00 74.42 O ATOM 203 CB ALA A 15 2.704 -9.686 -3.251 1.00 53.00 C ATOM 0 H ALA A 15 3.914 -11.468 -2.040 1.00 74.24 H new ATOM 0 HA ALA A 15 1.509 -10.070 -1.515 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.970 -9.025 -3.712 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.429 -9.091 -2.695 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.219 -10.253 -4.026 1.00 53.00 H new ATOM 209 N TRP A 16 1.376 -12.372 -3.876 1.00 42.31 N ATOM 210 CA TRP A 16 0.498 -13.239 -4.669 1.00 14.44 C ATOM 211 C TRP A 16 -0.524 -13.953 -3.779 1.00 61.31 C ATOM 212 O TRP A 16 -1.719 -13.983 -4.087 1.00 4.24 O ATOM 213 CB TRP A 16 1.375 -14.239 -5.449 1.00 24.40 C ATOM 214 CG TRP A 16 0.713 -15.526 -5.847 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.256 -15.711 -6.790 1.00 52.03 C ATOM 216 CD2 TRP A 16 1.013 -16.823 -5.319 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.578 -17.043 -6.878 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.191 -17.749 -5.981 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.904 -17.285 -4.349 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.237 -19.114 -5.700 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.947 -18.635 -4.066 1.00 2.41 C ATOM 222 CH2 TRP A 16 1.119 -19.539 -4.740 1.00 12.14 C ATOM 0 H TRP A 16 2.369 -12.550 -4.024 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.076 -12.639 -5.375 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.738 -13.746 -6.351 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.249 -14.476 -4.842 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.704 -14.925 -7.380 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.274 -17.444 -7.506 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.551 -16.595 -3.827 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.401 -19.813 -6.221 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.630 -18.999 -3.313 1.00 2.41 H new ATOM 0 HH2 TRP A 16 1.175 -20.590 -4.500 1.00 12.14 H new ATOM 233 N LEU A 17 -0.048 -14.509 -2.672 1.00 61.21 N ATOM 234 CA LEU A 17 -0.910 -15.205 -1.722 1.00 62.45 C ATOM 235 C LEU A 17 -1.865 -14.237 -1.026 1.00 2.03 C ATOM 236 O LEU A 17 -3.064 -14.495 -0.937 1.00 1.20 O ATOM 237 CB LEU A 17 -0.060 -15.967 -0.692 1.00 54.03 C ATOM 238 CG LEU A 17 0.090 -17.468 -0.982 1.00 44.41 C ATOM 239 CD1 LEU A 17 1.147 -18.099 -0.082 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.259 -18.163 -0.810 1.00 20.20 C ATOM 0 H LEU A 17 0.937 -14.492 -2.408 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.515 -15.923 -2.276 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.931 -15.516 -0.652 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.507 -15.842 0.294 1.00 54.03 H new ATOM 0 HG LEU A 17 0.423 -17.593 -2.012 1.00 44.41 H new ATOM 0 HD11 LEU A 17 1.231 -19.162 -0.310 1.00 31.01 H new ATOM 0 HD12 LEU A 17 2.108 -17.614 -0.254 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.858 -17.973 0.962 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.149 -19.228 -1.017 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.611 -18.026 0.213 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -1.981 -17.732 -1.503 1.00 20.20 H new ATOM 252 N ASN A 18 -1.330 -13.117 -0.550 1.00 65.13 N ATOM 253 CA ASN A 18 -2.131 -12.145 0.197 1.00 45.11 C ATOM 254 C ASN A 18 -3.109 -11.424 -0.732 1.00 52.24 C ATOM 255 O ASN A 18 -4.086 -10.821 -0.278 1.00 12.31 O ATOM 256 CB ASN A 18 -1.213 -11.139 0.913 1.00 44.01 C ATOM 257 CG ASN A 18 -1.963 -10.122 1.770 1.00 55.42 C ATOM 258 OD1 ASN A 18 -1.514 -8.984 1.930 1.00 21.33 O ATOM 259 ND2 ASN A 18 -3.098 -10.516 2.339 1.00 62.40 N ATOM 0 H ASN A 18 -0.350 -12.858 -0.666 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.713 -12.677 0.949 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.513 -11.686 1.544 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.622 -10.607 0.168 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.624 -9.870 2.928 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.443 -11.464 2.187 1.00 62.40 H new ATOM 266 N ALA A 19 -2.838 -11.489 -2.030 1.00 61.24 N ATOM 267 CA ALA A 19 -3.736 -10.935 -3.035 1.00 24.21 C ATOM 268 C ALA A 19 -4.902 -11.892 -3.269 1.00 11.54 C ATOM 269 O ALA A 19 -6.046 -11.468 -3.434 1.00 11.42 O ATOM 270 CB ALA A 19 -2.990 -10.671 -4.340 1.00 61.32 C ATOM 0 H ALA A 19 -1.998 -11.923 -2.413 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.125 -9.984 -2.672 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -3.680 -10.258 -5.076 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.183 -9.961 -4.160 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.574 -11.605 -4.717 1.00 61.32 H new ATOM 276 N GLY A 20 -4.593 -13.190 -3.279 1.00 74.52 N ATOM 277 CA GLY A 20 -5.619 -14.209 -3.425 1.00 23.12 C ATOM 278 C GLY A 20 -6.399 -14.413 -2.142 1.00 55.43 C ATOM 279 O GLY A 20 -7.562 -14.826 -2.167 1.00 43.31 O ATOM 0 H GLY A 20 -3.644 -13.553 -3.188 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.303 -13.924 -4.224 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -5.156 -15.150 -3.722 1.00 23.12 H new ATOM 283 N TYR A 21 -5.751 -14.125 -1.018 1.00 62.21 N ATOM 284 CA TYR A 21 -6.368 -14.250 0.300 1.00 10.20 C ATOM 285 C TYR A 21 -6.130 -12.994 1.141 1.00 4.45 C ATOM 286 O TYR A 21 -5.189 -12.943 1.940 1.00 64.21 O ATOM 287 CB TYR A 21 -5.810 -15.464 1.052 1.00 61.50 C ATOM 288 CG TYR A 21 -6.173 -16.808 0.458 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.432 -17.360 0.666 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.245 -17.545 -0.270 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.756 -18.603 0.161 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.565 -18.787 -0.772 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.819 -19.313 -0.556 1.00 65.41 C ATOM 294 OH TYR A 21 -7.134 -20.555 -1.056 1.00 73.14 O ATOM 0 H TYR A 21 -4.785 -13.799 -0.994 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.439 -14.380 0.143 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.724 -15.382 1.089 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.167 -15.430 2.081 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.168 -16.808 1.231 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.260 -17.138 -0.444 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.740 -19.017 0.327 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.833 -19.348 -1.334 1.00 2.43 H new ATOM 0 HH TYR A 21 -7.511 -20.460 -1.955 1.00 73.14 H new ATOM 304 N PRO A 22 -6.957 -11.954 0.964 1.00 33.03 N ATOM 305 CA PRO A 22 -6.927 -10.775 1.833 1.00 62.52 C ATOM 306 C PRO A 22 -7.657 -11.048 3.151 1.00 1.51 C ATOM 307 O PRO A 22 -7.546 -10.291 4.113 1.00 55.41 O ATOM 308 CB PRO A 22 -7.659 -9.716 1.002 1.00 44.14 C ATOM 309 CG PRO A 22 -8.628 -10.498 0.176 1.00 13.52 C ATOM 310 CD PRO A 22 -7.964 -11.822 -0.113 1.00 34.34 C ATOM 0 HA PRO A 22 -5.919 -10.473 2.117 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -8.171 -8.995 1.639 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.966 -9.153 0.376 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.567 -10.642 0.710 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.865 -9.971 -0.749 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.681 -12.642 -0.093 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.499 -11.830 -1.099 1.00 34.34 H new ATOM 318 N GLU A 23 -8.395 -12.157 3.173 1.00 61.20 N ATOM 319 CA GLU A 23 -9.208 -12.553 4.322 1.00 14.11 C ATOM 320 C GLU A 23 -8.574 -13.730 5.067 1.00 1.14 C ATOM 321 O GLU A 23 -9.155 -14.263 6.018 1.00 3.25 O ATOM 322 CB GLU A 23 -10.616 -12.929 3.841 1.00 54.54 C ATOM 323 CG GLU A 23 -10.629 -14.075 2.831 1.00 45.01 C ATOM 324 CD GLU A 23 -12.016 -14.362 2.283 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.907 -14.737 3.076 1.00 44.43 O ATOM 326 OE2 GLU A 23 -12.228 -14.205 1.060 1.00 54.44 O ATOM 0 H GLU A 23 -8.446 -12.809 2.390 1.00 61.20 H new ATOM 0 HA GLU A 23 -9.268 -11.713 5.014 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -11.223 -13.207 4.702 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -11.084 -12.053 3.391 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.960 -13.833 2.005 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -10.237 -14.975 3.305 1.00 45.01 H new ATOM 333 N GLY A 24 -7.372 -14.118 4.646 1.00 55.34 N ATOM 334 CA GLY A 24 -6.718 -15.285 5.212 1.00 5.42 C ATOM 335 C GLY A 24 -7.128 -16.560 4.498 1.00 72.15 C ATOM 336 O GLY A 24 -8.111 -16.566 3.754 1.00 1.40 O ATOM 0 H GLY A 24 -6.838 -13.642 3.919 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.637 -15.163 5.147 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.967 -15.364 6.270 1.00 5.42 H new ATOM 340 N VAL A 25 -6.378 -17.639 4.708 1.00 31.52 N ATOM 341 CA VAL A 25 -6.671 -18.916 4.060 1.00 42.05 C ATOM 342 C VAL A 25 -7.250 -19.897 5.084 1.00 51.00 C ATOM 343 O VAL A 25 -6.639 -20.124 6.130 1.00 41.02 O ATOM 344 CB VAL A 25 -5.398 -19.549 3.428 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.763 -20.599 2.381 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.466 -18.482 2.860 1.00 50.32 C ATOM 0 H VAL A 25 -5.563 -17.655 5.321 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.392 -18.721 3.266 1.00 42.05 H new ATOM 0 HB VAL A 25 -4.853 -20.059 4.223 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -4.852 -21.023 1.958 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.349 -21.391 2.848 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.349 -20.134 1.588 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.587 -18.960 2.427 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.988 -17.916 2.089 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -4.156 -17.808 3.658 1.00 50.32 H new ATOM 356 N PRO A 26 -8.436 -20.473 4.820 1.00 73.25 N ATOM 357 CA PRO A 26 -9.016 -21.501 5.689 1.00 54.21 C ATOM 358 C PRO A 26 -8.287 -22.839 5.534 1.00 64.34 C ATOM 359 O PRO A 26 -7.727 -23.122 4.476 1.00 2.12 O ATOM 360 CB PRO A 26 -10.465 -21.604 5.199 1.00 23.03 C ATOM 361 CG PRO A 26 -10.406 -21.194 3.764 1.00 64.34 C ATOM 362 CD PRO A 26 -9.313 -20.160 3.669 1.00 63.21 C ATOM 0 HA PRO A 26 -8.939 -21.251 6.747 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -10.849 -22.619 5.306 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.125 -20.952 5.771 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -10.190 -22.049 3.123 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.361 -20.783 3.437 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.775 -20.231 2.724 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.712 -19.148 3.733 1.00 63.21 H new ATOM 370 N GLY A 27 -8.299 -23.650 6.594 1.00 3.45 N ATOM 371 CA GLY A 27 -7.604 -24.939 6.595 1.00 3.53 C ATOM 372 C GLY A 27 -7.821 -25.767 5.331 1.00 40.15 C ATOM 373 O GLY A 27 -6.843 -26.180 4.688 1.00 54.14 O ATOM 0 H GLY A 27 -8.784 -23.436 7.465 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -6.536 -24.763 6.722 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -7.936 -25.518 7.457 1.00 3.53 H new ATOM 377 N PRO A 28 -9.095 -26.028 4.948 1.00 4.10 N ATOM 378 CA PRO A 28 -9.431 -26.812 3.741 1.00 31.40 C ATOM 379 C PRO A 28 -8.709 -26.325 2.486 1.00 1.42 C ATOM 380 O PRO A 28 -8.504 -27.093 1.550 1.00 5.10 O ATOM 381 CB PRO A 28 -10.948 -26.617 3.605 1.00 12.20 C ATOM 382 CG PRO A 28 -11.417 -26.378 4.998 1.00 51.25 C ATOM 383 CD PRO A 28 -10.317 -25.601 5.671 1.00 54.20 C ATOM 0 HA PRO A 28 -9.124 -27.853 3.841 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.184 -25.773 2.956 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.424 -27.496 3.171 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.352 -25.819 5.006 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.604 -27.319 5.515 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.477 -24.526 5.588 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.255 -25.833 6.734 1.00 54.20 H new ATOM 391 N ASP A 29 -8.328 -25.048 2.470 1.00 63.12 N ATOM 392 CA ASP A 29 -7.589 -24.478 1.343 1.00 75.13 C ATOM 393 C ASP A 29 -6.105 -24.379 1.673 1.00 41.35 C ATOM 394 O ASP A 29 -5.266 -24.441 0.777 1.00 20.04 O ATOM 395 CB ASP A 29 -8.139 -23.097 0.955 1.00 13.15 C ATOM 396 CG ASP A 29 -9.539 -23.169 0.367 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.513 -23.239 1.147 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.681 -23.177 -0.876 1.00 42.44 O ATOM 0 H ASP A 29 -8.519 -24.388 3.224 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.718 -25.145 0.490 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.151 -22.455 1.835 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.469 -22.633 0.231 1.00 13.15 H new ATOM 403 N ARG A 30 -5.781 -24.251 2.959 1.00 54.40 N ATOM 404 CA ARG A 30 -4.391 -24.141 3.394 1.00 24.35 C ATOM 405 C ARG A 30 -3.609 -25.406 3.065 1.00 11.25 C ATOM 406 O ARG A 30 -2.500 -25.335 2.531 1.00 45.02 O ATOM 407 CB ARG A 30 -4.297 -23.859 4.899 1.00 44.21 C ATOM 408 CG ARG A 30 -4.704 -22.450 5.298 1.00 23.22 C ATOM 409 CD ARG A 30 -4.310 -22.126 6.735 1.00 3.15 C ATOM 410 NE ARG A 30 -5.025 -22.945 7.721 1.00 71.13 N ATOM 411 CZ ARG A 30 -4.508 -23.342 8.892 1.00 23.15 C ATOM 412 NH1 ARG A 30 -3.249 -23.044 9.214 1.00 65.41 N ATOM 413 NH2 ARG A 30 -5.251 -24.042 9.738 1.00 74.54 N ATOM 0 H ARG A 30 -6.463 -24.221 3.717 1.00 54.40 H new ATOM 0 HA ARG A 30 -3.953 -23.303 2.852 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -4.928 -24.571 5.430 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.272 -24.035 5.226 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -4.236 -21.733 4.624 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.782 -22.338 5.184 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.237 -22.276 6.855 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -4.509 -21.073 6.932 1.00 3.15 H new ATOM 0 HE ARG A 30 -5.979 -23.231 7.500 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -2.670 -22.509 8.567 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -2.865 -23.351 10.108 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -6.214 -24.277 9.497 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -4.860 -24.345 10.630 1.00 74.54 H new ATOM 427 N VAL A 31 -4.184 -26.567 3.383 1.00 12.44 N ATOM 428 CA VAL A 31 -3.484 -27.839 3.167 1.00 14.30 C ATOM 429 C VAL A 31 -3.105 -28.024 1.685 1.00 1.22 C ATOM 430 O VAL A 31 -1.937 -28.258 1.371 1.00 3.34 O ATOM 431 CB VAL A 31 -4.304 -29.067 3.661 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.487 -30.353 3.525 1.00 35.31 C ATOM 433 CG2 VAL A 31 -4.759 -28.878 5.104 1.00 61.25 C ATOM 0 H VAL A 31 -5.117 -26.656 3.785 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.574 -27.788 3.765 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.191 -29.151 3.033 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.079 -31.199 3.876 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.220 -30.506 2.479 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.579 -30.272 4.123 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.329 -29.750 5.423 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -3.887 -28.759 5.748 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.386 -27.989 5.174 1.00 61.25 H new ATOM 443 N PRO A 32 -4.072 -27.911 0.745 1.00 64.13 N ATOM 444 CA PRO A 32 -3.776 -28.030 -0.688 1.00 15.21 C ATOM 445 C PRO A 32 -2.930 -26.864 -1.200 1.00 21.04 C ATOM 446 O PRO A 32 -2.144 -27.027 -2.136 1.00 13.40 O ATOM 447 CB PRO A 32 -5.162 -28.040 -1.344 1.00 64.15 C ATOM 448 CG PRO A 32 -6.046 -27.336 -0.377 1.00 73.12 C ATOM 449 CD PRO A 32 -5.510 -27.672 0.986 1.00 53.53 C ATOM 0 HA PRO A 32 -3.189 -28.920 -0.915 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.147 -27.532 -2.308 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.506 -29.058 -1.526 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.034 -26.260 -0.548 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.080 -27.664 -0.482 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.668 -26.856 1.691 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -5.998 -28.553 1.403 1.00 53.53 H new ATOM 457 N LEU A 33 -3.093 -25.690 -0.582 1.00 51.45 N ATOM 458 CA LEU A 33 -2.284 -24.522 -0.924 1.00 71.25 C ATOM 459 C LEU A 33 -0.814 -24.858 -0.720 1.00 22.31 C ATOM 460 O LEU A 33 0.017 -24.630 -1.599 1.00 14.43 O ATOM 461 CB LEU A 33 -2.694 -23.305 -0.060 1.00 44.31 C ATOM 462 CG LEU A 33 -2.046 -21.943 -0.411 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.613 -21.845 0.115 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.083 -21.700 -1.920 1.00 5.41 C ATOM 0 H LEU A 33 -3.777 -25.526 0.156 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.450 -24.258 -1.968 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.776 -23.192 -0.126 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.460 -23.534 0.980 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.631 -21.166 0.082 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.193 -20.875 -0.152 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.615 -21.954 1.200 1.00 72.23 H new ATOM 0 HD13 LEU A 33 -0.008 -22.636 -0.328 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.623 -20.738 -2.145 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.535 -22.492 -2.430 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.118 -21.696 -2.263 1.00 5.41 H new ATOM 476 N LEU A 34 -0.511 -25.420 0.440 1.00 52.24 N ATOM 477 CA LEU A 34 0.851 -25.810 0.769 1.00 54.12 C ATOM 478 C LEU A 34 1.315 -26.954 -0.111 1.00 50.24 C ATOM 479 O LEU A 34 2.451 -26.956 -0.569 1.00 13.00 O ATOM 480 CB LEU A 34 0.979 -26.192 2.246 1.00 2.21 C ATOM 481 CG LEU A 34 1.394 -25.048 3.181 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.780 -24.531 2.799 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.364 -23.920 3.147 1.00 74.02 C ATOM 0 H LEU A 34 -1.193 -25.617 1.172 1.00 52.24 H new ATOM 0 HA LEU A 34 1.492 -24.948 0.584 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.023 -26.590 2.586 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.709 -26.996 2.335 1.00 2.21 H new ATOM 0 HG LEU A 34 1.437 -25.431 4.201 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.063 -23.720 3.470 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.506 -25.340 2.882 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.761 -24.164 1.773 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.678 -23.120 3.817 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.283 -23.532 2.132 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.605 -24.302 3.468 1.00 74.02 H new ATOM 495 N ALA A 35 0.443 -27.928 -0.338 1.00 22.33 N ATOM 496 CA ALA A 35 0.778 -29.054 -1.202 1.00 2.14 C ATOM 497 C ALA A 35 1.252 -28.555 -2.570 1.00 71.13 C ATOM 498 O ALA A 35 2.235 -29.046 -3.127 1.00 71.44 O ATOM 499 CB ALA A 35 -0.419 -29.988 -1.352 1.00 72.12 C ATOM 0 H ALA A 35 -0.495 -27.962 0.061 1.00 22.33 H new ATOM 0 HA ALA A 35 1.591 -29.615 -0.741 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.151 -30.822 -2.000 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.709 -30.368 -0.372 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.254 -29.442 -1.791 1.00 72.12 H new ATOM 505 N LEU A 36 0.538 -27.560 -3.089 1.00 60.32 N ATOM 506 CA LEU A 36 0.862 -26.931 -4.368 1.00 5.22 C ATOM 507 C LEU A 36 2.132 -26.072 -4.241 1.00 32.42 C ATOM 508 O LEU A 36 3.023 -26.126 -5.093 1.00 24.53 O ATOM 509 CB LEU A 36 -0.350 -26.082 -4.826 1.00 43.41 C ATOM 510 CG LEU A 36 -0.287 -25.454 -6.238 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.600 -24.208 -6.263 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.189 -26.485 -7.263 1.00 70.30 C ATOM 0 H LEU A 36 -0.285 -27.165 -2.633 1.00 60.32 H new ATOM 0 HA LEU A 36 1.064 -27.696 -5.117 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.239 -26.710 -4.776 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.488 -25.276 -4.105 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.295 -25.139 -6.507 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.619 -23.795 -7.272 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.201 -23.464 -5.574 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.613 -24.476 -5.961 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.227 -26.025 -8.251 1.00 70.30 H new ATOM 0 HD22 LEU A 36 1.183 -26.839 -6.989 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.503 -27.327 -7.281 1.00 70.30 H new ATOM 524 N LEU A 37 2.206 -25.300 -3.164 1.00 22.00 N ATOM 525 CA LEU A 37 3.271 -24.315 -2.967 1.00 0.21 C ATOM 526 C LEU A 37 4.635 -24.989 -2.758 1.00 50.35 C ATOM 527 O LEU A 37 5.630 -24.605 -3.377 1.00 73.01 O ATOM 528 CB LEU A 37 2.902 -23.409 -1.769 1.00 72.43 C ATOM 529 CG LEU A 37 3.761 -22.143 -1.560 1.00 43.44 C ATOM 530 CD1 LEU A 37 3.019 -21.133 -0.688 1.00 4.05 C ATOM 531 CD2 LEU A 37 5.107 -22.486 -0.922 1.00 24.13 C ATOM 0 H LEU A 37 1.531 -25.336 -2.400 1.00 22.00 H new ATOM 0 HA LEU A 37 3.361 -23.706 -3.866 1.00 0.21 H new ATOM 0 HB2 LEU A 37 1.864 -23.099 -1.885 1.00 72.43 H new ATOM 0 HB3 LEU A 37 2.956 -24.009 -0.861 1.00 72.43 H new ATOM 0 HG LEU A 37 3.947 -21.703 -2.540 1.00 43.44 H new ATOM 0 HD11 LEU A 37 3.638 -20.247 -0.551 1.00 4.05 H new ATOM 0 HD12 LEU A 37 2.084 -20.851 -1.173 1.00 4.05 H new ATOM 0 HD13 LEU A 37 2.804 -21.579 0.283 1.00 4.05 H new ATOM 0 HD21 LEU A 37 5.689 -21.574 -0.788 1.00 24.13 H new ATOM 0 HD22 LEU A 37 4.941 -22.957 0.047 1.00 24.13 H new ATOM 0 HD23 LEU A 37 5.652 -23.172 -1.570 1.00 24.13 H new ATOM 543 N THR A 38 4.664 -26.011 -1.908 1.00 10.21 N ATOM 544 CA THR A 38 5.916 -26.645 -1.482 1.00 5.04 C ATOM 545 C THR A 38 6.607 -27.391 -2.624 1.00 62.54 C ATOM 546 O THR A 38 7.743 -27.837 -2.475 1.00 50.11 O ATOM 547 CB THR A 38 5.683 -27.625 -0.301 1.00 61.23 C ATOM 548 OG1 THR A 38 4.668 -28.582 -0.643 1.00 1.52 O ATOM 549 CG2 THR A 38 5.275 -26.878 0.966 1.00 31.33 C ATOM 0 H THR A 38 3.828 -26.424 -1.495 1.00 10.21 H new ATOM 0 HA THR A 38 6.567 -25.834 -1.156 1.00 5.04 H new ATOM 0 HB THR A 38 6.622 -28.143 -0.108 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.790 -28.148 -0.625 1.00 1.52 H new ATOM 0 HG21 THR A 38 5.119 -27.592 1.775 1.00 31.33 H new ATOM 0 HG22 THR A 38 6.063 -26.179 1.246 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.351 -26.329 0.783 1.00 31.33 H new ATOM 557 N ARG A 39 5.913 -27.532 -3.753 1.00 14.25 N ATOM 558 CA ARG A 39 6.449 -28.262 -4.898 1.00 24.04 C ATOM 559 C ARG A 39 7.833 -27.749 -5.309 1.00 71.34 C ATOM 560 O ARG A 39 8.766 -28.538 -5.478 1.00 72.22 O ATOM 561 CB ARG A 39 5.484 -28.164 -6.089 1.00 54.52 C ATOM 562 CG ARG A 39 4.146 -28.860 -5.862 1.00 31.23 C ATOM 563 CD ARG A 39 4.313 -30.353 -5.602 1.00 22.04 C ATOM 564 NE ARG A 39 5.032 -31.031 -6.685 1.00 23.20 N ATOM 565 CZ ARG A 39 5.066 -32.354 -6.846 1.00 2.41 C ATOM 566 NH1 ARG A 39 4.389 -33.149 -6.023 1.00 33.22 N ATOM 567 NH2 ARG A 39 5.769 -32.883 -7.834 1.00 12.20 N ATOM 0 H ARG A 39 4.978 -27.150 -3.898 1.00 14.25 H new ATOM 0 HA ARG A 39 6.556 -29.304 -4.597 1.00 24.04 H new ATOM 0 HB2 ARG A 39 5.302 -27.112 -6.310 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.962 -28.597 -6.968 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.637 -28.400 -5.015 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.509 -28.713 -6.734 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.851 -30.498 -4.665 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.331 -30.810 -5.479 1.00 22.04 H new ATOM 0 HE ARG A 39 5.538 -30.454 -7.357 1.00 23.20 H new ATOM 0 HH11 ARG A 39 3.840 -32.747 -5.263 1.00 33.22 H new ATOM 0 HH12 ARG A 39 4.419 -34.160 -6.151 1.00 33.22 H new ATOM 0 HH21 ARG A 39 6.285 -32.279 -8.473 1.00 12.20 H new ATOM 0 HH22 ARG A 39 5.795 -33.895 -7.957 1.00 12.20 H new ATOM 581 N ARG A 40 7.968 -26.433 -5.479 1.00 53.35 N ATOM 582 CA ARG A 40 9.211 -25.849 -5.970 1.00 42.31 C ATOM 583 C ARG A 40 9.866 -24.889 -4.971 1.00 74.53 C ATOM 584 O ARG A 40 10.937 -24.348 -5.254 1.00 12.24 O ATOM 585 CB ARG A 40 8.915 -25.127 -7.278 1.00 64.35 C ATOM 586 CG ARG A 40 8.510 -26.074 -8.401 1.00 51.10 C ATOM 587 CD ARG A 40 7.964 -25.319 -9.597 1.00 53.50 C ATOM 588 NE ARG A 40 8.052 -26.107 -10.829 1.00 44.33 N ATOM 589 CZ ARG A 40 8.171 -25.587 -12.050 1.00 71.12 C ATOM 590 NH1 ARG A 40 8.199 -24.272 -12.221 1.00 73.41 N ATOM 591 NH2 ARG A 40 8.258 -26.383 -13.105 1.00 72.30 N ATOM 0 H ARG A 40 7.232 -25.755 -5.284 1.00 53.35 H new ATOM 0 HA ARG A 40 9.926 -26.658 -6.120 1.00 42.31 H new ATOM 0 HB2 ARG A 40 8.117 -24.403 -7.115 1.00 64.35 H new ATOM 0 HB3 ARG A 40 9.797 -24.565 -7.584 1.00 64.35 H new ATOM 0 HG2 ARG A 40 9.372 -26.667 -8.707 1.00 51.10 H new ATOM 0 HG3 ARG A 40 7.757 -26.772 -8.036 1.00 51.10 H new ATOM 0 HD2 ARG A 40 6.924 -25.050 -9.412 1.00 53.50 H new ATOM 0 HD3 ARG A 40 8.517 -24.388 -9.722 1.00 53.50 H new ATOM 0 HE ARG A 40 8.020 -27.123 -10.746 1.00 44.33 H new ATOM 0 HH11 ARG A 40 8.129 -23.651 -11.415 1.00 73.41 H new ATOM 0 HH12 ARG A 40 8.290 -23.882 -13.159 1.00 73.41 H new ATOM 0 HH21 ARG A 40 8.234 -27.395 -12.983 1.00 72.30 H new ATOM 0 HH22 ARG A 40 8.349 -25.984 -14.039 1.00 72.30 H new ATOM 605 N LEU A 41 9.237 -24.668 -3.820 1.00 34.24 N ATOM 606 CA LEU A 41 9.816 -23.793 -2.792 1.00 61.12 C ATOM 607 C LEU A 41 10.477 -24.619 -1.691 1.00 73.41 C ATOM 608 O LEU A 41 9.944 -25.647 -1.267 1.00 54.35 O ATOM 609 CB LEU A 41 8.769 -22.841 -2.183 1.00 3.20 C ATOM 610 CG LEU A 41 8.350 -21.658 -3.075 1.00 25.42 C ATOM 611 CD1 LEU A 41 7.400 -22.110 -4.172 1.00 35.11 C ATOM 612 CD2 LEU A 41 7.731 -20.537 -2.238 1.00 65.23 C ATOM 0 H LEU A 41 8.335 -25.076 -3.572 1.00 34.24 H new ATOM 0 HA LEU A 41 10.572 -23.181 -3.284 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.879 -23.419 -1.935 1.00 3.20 H new ATOM 0 HB3 LEU A 41 9.164 -22.446 -1.247 1.00 3.20 H new ATOM 0 HG LEU A 41 9.246 -21.264 -3.554 1.00 25.42 H new ATOM 0 HD11 LEU A 41 7.120 -21.254 -4.787 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.892 -22.858 -4.794 1.00 35.11 H new ATOM 0 HD13 LEU A 41 6.505 -22.542 -3.723 1.00 35.11 H new ATOM 0 HD21 LEU A 41 7.443 -19.713 -2.890 1.00 65.23 H new ATOM 0 HD22 LEU A 41 6.850 -20.914 -1.719 1.00 65.23 H new ATOM 0 HD23 LEU A 41 8.459 -20.184 -1.507 1.00 65.23 H new ATOM 624 N THR A 42 11.643 -24.162 -1.243 1.00 74.31 N ATOM 625 CA THR A 42 12.408 -24.841 -0.201 1.00 41.11 C ATOM 626 C THR A 42 11.799 -24.595 1.178 1.00 41.00 C ATOM 627 O THR A 42 10.889 -23.776 1.330 1.00 32.31 O ATOM 628 CB THR A 42 13.872 -24.343 -0.186 1.00 51.30 C ATOM 629 OG1 THR A 42 13.900 -22.940 0.112 1.00 51.23 O ATOM 630 CG2 THR A 42 14.555 -24.602 -1.526 1.00 74.30 C ATOM 0 H THR A 42 12.084 -23.311 -1.592 1.00 74.31 H new ATOM 0 HA THR A 42 12.381 -25.907 -0.425 1.00 41.11 H new ATOM 0 HB THR A 42 14.414 -24.893 0.583 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.828 -22.626 0.123 1.00 51.23 H new ATOM 0 HG21 THR A 42 15.583 -24.242 -1.486 1.00 74.30 H new ATOM 0 HG22 THR A 42 14.553 -25.672 -1.734 1.00 74.30 H new ATOM 0 HG23 THR A 42 14.017 -24.078 -2.316 1.00 74.30 H new ATOM 638 N ASN A 43 12.324 -25.298 2.183 1.00 61.44 N ATOM 639 CA ASN A 43 11.904 -25.095 3.567 1.00 23.11 C ATOM 640 C ASN A 43 12.188 -23.654 3.988 1.00 72.30 C ATOM 641 O ASN A 43 11.363 -23.001 4.628 1.00 71.12 O ATOM 642 CB ASN A 43 12.632 -26.066 4.514 1.00 34.35 C ATOM 643 CG ASN A 43 12.333 -27.528 4.212 1.00 3.52 C ATOM 644 OD1 ASN A 43 13.029 -28.167 3.417 1.00 54.24 O ATOM 645 ND2 ASN A 43 11.305 -28.066 4.847 1.00 61.42 N ATOM 0 H ASN A 43 13.041 -26.013 2.062 1.00 61.44 H new ATOM 0 HA ASN A 43 10.834 -25.291 3.631 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.707 -25.898 4.442 1.00 34.35 H new ATOM 0 HB3 ASN A 43 12.344 -25.847 5.542 1.00 34.35 H new ATOM 0 HD21 ASN A 43 11.062 -29.044 4.688 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.755 -27.503 5.496 1.00 61.42 H new ATOM 652 N ASP A 44 13.356 -23.156 3.594 1.00 0.21 N ATOM 653 CA ASP A 44 13.758 -21.792 3.929 1.00 22.12 C ATOM 654 C ASP A 44 12.805 -20.777 3.309 1.00 42.40 C ATOM 655 O ASP A 44 12.456 -19.777 3.937 1.00 60.34 O ATOM 656 CB ASP A 44 15.194 -21.520 3.464 1.00 1.30 C ATOM 657 CG ASP A 44 15.673 -20.121 3.831 1.00 22.22 C ATOM 658 OD1 ASP A 44 15.940 -19.875 5.029 1.00 4.40 O ATOM 659 OD2 ASP A 44 15.797 -19.263 2.929 1.00 41.24 O ATOM 0 H ASP A 44 14.040 -23.675 3.043 1.00 0.21 H new ATOM 0 HA ASP A 44 13.717 -21.688 5.013 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.862 -22.257 3.909 1.00 1.30 H new ATOM 0 HB3 ASP A 44 15.253 -21.648 2.383 1.00 1.30 H new ATOM 664 N GLU A 45 12.378 -21.047 2.074 1.00 2.43 N ATOM 665 CA GLU A 45 11.464 -20.156 1.366 1.00 12.41 C ATOM 666 C GLU A 45 10.064 -20.170 1.993 1.00 74.32 C ATOM 667 O GLU A 45 9.514 -19.111 2.325 1.00 52.21 O ATOM 668 CB GLU A 45 11.402 -20.529 -0.121 1.00 10.44 C ATOM 669 CG GLU A 45 12.695 -20.222 -0.872 1.00 2.34 C ATOM 670 CD GLU A 45 12.646 -20.636 -2.333 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.872 -21.831 -2.617 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.404 -19.764 -3.198 1.00 64.14 O ATOM 0 H GLU A 45 12.652 -21.876 1.546 1.00 2.43 H new ATOM 0 HA GLU A 45 11.849 -19.140 1.455 1.00 12.41 H new ATOM 0 HB2 GLU A 45 11.179 -21.592 -0.213 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.580 -19.989 -0.590 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.900 -19.153 -0.810 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.523 -20.734 -0.383 1.00 2.34 H new ATOM 679 N ILE A 46 9.491 -21.365 2.167 1.00 40.25 N ATOM 680 CA ILE A 46 8.158 -21.487 2.761 1.00 2.42 C ATOM 681 C ILE A 46 8.136 -20.814 4.134 1.00 23.22 C ATOM 682 O ILE A 46 7.172 -20.129 4.485 1.00 2.24 O ATOM 683 CB ILE A 46 7.682 -22.974 2.848 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.263 -23.096 3.459 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.671 -23.825 3.638 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.226 -23.148 4.980 1.00 5.20 C ATOM 0 H ILE A 46 9.924 -22.252 1.908 1.00 40.25 H new ATOM 0 HA ILE A 46 7.452 -20.976 2.107 1.00 2.42 H new ATOM 0 HB ILE A 46 7.638 -23.349 1.826 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.664 -22.249 3.124 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.790 -23.996 3.067 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.313 -24.854 3.681 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.645 -23.800 3.148 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.764 -23.430 4.650 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.193 -23.233 5.316 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.793 -24.011 5.328 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.666 -22.237 5.386 1.00 5.20 H new ATOM 698 N LYS A 47 9.211 -20.991 4.903 1.00 61.14 N ATOM 699 CA LYS A 47 9.350 -20.297 6.179 1.00 33.02 C ATOM 700 C LYS A 47 9.460 -18.797 5.956 1.00 44.41 C ATOM 701 O LYS A 47 8.789 -18.025 6.629 1.00 14.11 O ATOM 702 CB LYS A 47 10.573 -20.774 6.965 1.00 63.24 C ATOM 703 CG LYS A 47 10.487 -22.216 7.451 1.00 43.11 C ATOM 704 CD LYS A 47 11.598 -22.533 8.454 1.00 45.04 C ATOM 705 CE LYS A 47 11.164 -22.289 9.899 1.00 73.15 C ATOM 706 NZ LYS A 47 10.872 -20.859 10.172 1.00 75.33 N ATOM 0 H LYS A 47 9.991 -21.604 4.665 1.00 61.14 H new ATOM 0 HA LYS A 47 8.458 -20.526 6.762 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.457 -20.667 6.337 1.00 63.24 H new ATOM 0 HB3 LYS A 47 10.713 -20.121 7.826 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.516 -22.388 7.915 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.558 -22.893 6.600 1.00 43.11 H new ATOM 0 HD2 LYS A 47 11.902 -23.574 8.339 1.00 45.04 H new ATOM 0 HD3 LYS A 47 12.471 -21.920 8.231 1.00 45.04 H new ATOM 0 HE2 LYS A 47 10.277 -22.885 10.114 1.00 73.15 H new ATOM 0 HE3 LYS A 47 11.949 -22.631 10.573 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 10.815 -20.706 11.199 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 11.630 -20.268 9.775 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 9.966 -20.600 9.733 1.00 75.33 H new ATOM 720 N ALA A 48 10.304 -18.393 5.002 1.00 32.32 N ATOM 721 CA ALA A 48 10.524 -16.976 4.706 1.00 3.50 C ATOM 722 C ALA A 48 9.196 -16.258 4.501 1.00 23.32 C ATOM 723 O ALA A 48 9.026 -15.110 4.912 1.00 52.32 O ATOM 724 CB ALA A 48 11.419 -16.812 3.481 1.00 43.35 C ATOM 0 H ALA A 48 10.847 -19.031 4.420 1.00 32.32 H new ATOM 0 HA ALA A 48 11.030 -16.524 5.560 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.569 -15.751 3.279 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.383 -17.286 3.668 1.00 43.35 H new ATOM 0 HB3 ALA A 48 10.945 -17.282 2.619 1.00 43.35 H new ATOM 730 N ILE A 49 8.253 -16.959 3.874 1.00 73.51 N ATOM 731 CA ILE A 49 6.898 -16.445 3.706 1.00 11.34 C ATOM 732 C ILE A 49 6.279 -16.113 5.063 1.00 32.52 C ATOM 733 O ILE A 49 5.754 -15.019 5.268 1.00 25.45 O ATOM 734 CB ILE A 49 5.989 -17.459 2.956 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.580 -17.772 1.571 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.564 -16.920 2.821 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.814 -16.540 0.721 1.00 74.30 C ATOM 0 H ILE A 49 8.404 -17.885 3.474 1.00 73.51 H new ATOM 0 HA ILE A 49 6.968 -15.538 3.106 1.00 11.34 H new ATOM 0 HB ILE A 49 5.946 -18.380 3.538 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.525 -18.300 1.699 1.00 71.25 H new ATOM 0 HG13 ILE A 49 5.907 -18.446 1.042 1.00 71.25 H new ATOM 0 HG21 ILE A 49 3.948 -17.648 2.293 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.147 -16.743 3.812 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.580 -15.985 2.262 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.232 -16.836 -0.241 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.868 -16.022 0.562 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.511 -15.874 1.230 1.00 74.30 H new ATOM 749 N ALA A 50 6.382 -17.048 5.999 1.00 21.02 N ATOM 750 CA ALA A 50 5.806 -16.867 7.326 1.00 1.35 C ATOM 751 C ALA A 50 6.539 -15.760 8.063 1.00 3.30 C ATOM 752 O ALA A 50 5.930 -14.907 8.699 1.00 40.12 O ATOM 753 CB ALA A 50 5.879 -18.166 8.118 1.00 61.30 C ATOM 0 H ALA A 50 6.859 -17.939 5.864 1.00 21.02 H new ATOM 0 HA ALA A 50 4.758 -16.586 7.218 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.445 -18.014 9.106 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.324 -18.944 7.593 1.00 61.30 H new ATOM 0 HB3 ALA A 50 6.920 -18.471 8.222 1.00 61.30 H new ATOM 759 N GLU A 51 7.857 -15.781 7.927 1.00 14.35 N ATOM 760 CA GLU A 51 8.747 -14.842 8.592 1.00 45.45 C ATOM 761 C GLU A 51 8.432 -13.401 8.188 1.00 61.23 C ATOM 762 O GLU A 51 8.529 -12.479 9.005 1.00 40.34 O ATOM 763 CB GLU A 51 10.196 -15.204 8.244 1.00 4.25 C ATOM 764 CG GLU A 51 10.585 -16.616 8.689 1.00 61.30 C ATOM 765 CD GLU A 51 10.741 -16.730 10.196 1.00 30.31 C ATOM 766 OE1 GLU A 51 11.701 -16.146 10.742 1.00 71.41 O ATOM 767 OE2 GLU A 51 9.916 -17.409 10.839 1.00 71.15 O ATOM 0 H GLU A 51 8.345 -16.461 7.343 1.00 14.35 H new ATOM 0 HA GLU A 51 8.603 -14.911 9.670 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.337 -15.117 7.167 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.867 -14.484 8.713 1.00 4.25 H new ATOM 0 HG2 GLU A 51 9.826 -17.322 8.351 1.00 61.30 H new ATOM 0 HG3 GLU A 51 11.521 -16.900 8.208 1.00 61.30 H new ATOM 774 N ASP A 52 8.046 -13.210 6.931 1.00 54.12 N ATOM 775 CA ASP A 52 7.672 -11.884 6.446 1.00 62.53 C ATOM 776 C ASP A 52 6.291 -11.493 6.957 1.00 5.34 C ATOM 777 O ASP A 52 6.082 -10.373 7.433 1.00 13.14 O ATOM 778 CB ASP A 52 7.674 -11.823 4.913 1.00 51.25 C ATOM 779 CG ASP A 52 7.364 -10.416 4.406 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.265 -9.547 4.460 1.00 55.20 O ATOM 781 OD2 ASP A 52 6.214 -10.159 3.998 1.00 61.55 O ATOM 0 H ASP A 52 7.984 -13.951 6.232 1.00 54.12 H new ATOM 0 HA ASP A 52 8.416 -11.184 6.826 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.647 -12.140 4.537 1.00 51.25 H new ATOM 0 HB3 ASP A 52 6.937 -12.523 4.519 1.00 51.25 H new ATOM 786 N LEU A 53 5.357 -12.429 6.860 1.00 34.00 N ATOM 787 CA LEU A 53 3.956 -12.173 7.182 1.00 31.15 C ATOM 788 C LEU A 53 3.746 -11.918 8.676 1.00 63.44 C ATOM 789 O LEU A 53 2.971 -11.037 9.049 1.00 24.44 O ATOM 790 CB LEU A 53 3.097 -13.345 6.699 1.00 23.10 C ATOM 791 CG LEU A 53 3.082 -13.536 5.167 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.250 -14.750 4.762 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.566 -12.275 4.467 1.00 2.44 C ATOM 0 H LEU A 53 5.546 -13.385 6.557 1.00 34.00 H new ATOM 0 HA LEU A 53 3.649 -11.264 6.665 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.460 -14.262 7.164 1.00 23.10 H new ATOM 0 HB3 LEU A 53 2.074 -13.196 7.044 1.00 23.10 H new ATOM 0 HG LEU A 53 4.109 -13.715 4.849 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.262 -14.854 3.677 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.670 -15.647 5.217 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.223 -14.617 5.103 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.564 -12.432 3.388 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.552 -12.061 4.804 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.214 -11.433 4.710 1.00 2.44 H new ATOM 805 N GLU A 54 4.439 -12.669 9.528 1.00 42.35 N ATOM 806 CA GLU A 54 4.308 -12.486 10.974 1.00 71.35 C ATOM 807 C GLU A 54 4.815 -11.107 11.391 1.00 51.43 C ATOM 808 O GLU A 54 4.402 -10.571 12.423 1.00 2.04 O ATOM 809 CB GLU A 54 5.048 -13.578 11.753 1.00 71.34 C ATOM 810 CG GLU A 54 6.513 -13.752 11.365 1.00 45.42 C ATOM 811 CD GLU A 54 7.361 -14.304 12.500 1.00 2.40 C ATOM 812 OE1 GLU A 54 6.880 -15.195 13.235 1.00 25.13 O ATOM 813 OE2 GLU A 54 8.505 -13.835 12.683 1.00 1.20 O ATOM 0 H GLU A 54 5.090 -13.402 9.248 1.00 42.35 H new ATOM 0 HA GLU A 54 3.248 -12.562 11.216 1.00 71.35 H new ATOM 0 HB2 GLU A 54 4.992 -13.348 12.817 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.531 -14.526 11.604 1.00 71.34 H new ATOM 0 HG2 GLU A 54 6.580 -14.422 10.508 1.00 45.42 H new ATOM 0 HG3 GLU A 54 6.917 -12.790 11.050 1.00 45.42 H new ATOM 820 N LYS A 55 5.708 -10.537 10.580 1.00 30.13 N ATOM 821 CA LYS A 55 6.184 -9.170 10.786 1.00 60.30 C ATOM 822 C LYS A 55 5.000 -8.206 10.750 1.00 11.44 C ATOM 823 O LYS A 55 4.988 -7.183 11.436 1.00 63.12 O ATOM 824 CB LYS A 55 7.223 -8.802 9.710 1.00 20.00 C ATOM 825 CG LYS A 55 7.738 -7.366 9.792 1.00 21.43 C ATOM 826 CD LYS A 55 8.786 -7.057 8.718 1.00 14.14 C ATOM 827 CE LYS A 55 8.214 -7.076 7.295 1.00 75.02 C ATOM 828 NZ LYS A 55 7.921 -8.454 6.806 1.00 63.03 N ATOM 0 H LYS A 55 6.117 -11.004 9.771 1.00 30.13 H new ATOM 0 HA LYS A 55 6.666 -9.097 11.761 1.00 60.30 H new ATOM 0 HB2 LYS A 55 8.070 -9.484 9.792 1.00 20.00 H new ATOM 0 HB3 LYS A 55 6.781 -8.960 8.726 1.00 20.00 H new ATOM 0 HG2 LYS A 55 6.900 -6.676 9.687 1.00 21.43 H new ATOM 0 HG3 LYS A 55 8.171 -7.194 10.778 1.00 21.43 H new ATOM 0 HD2 LYS A 55 9.221 -6.077 8.915 1.00 14.14 H new ATOM 0 HD3 LYS A 55 9.594 -7.785 8.788 1.00 14.14 H new ATOM 0 HE2 LYS A 55 7.299 -6.484 7.269 1.00 75.02 H new ATOM 0 HE3 LYS A 55 8.922 -6.598 6.618 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 8.066 -8.495 5.777 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 8.558 -9.131 7.273 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 6.934 -8.698 7.026 1.00 63.03 H new ATOM 842 N ARG A 56 3.999 -8.553 9.948 1.00 63.50 N ATOM 843 CA ARG A 56 2.750 -7.802 9.894 1.00 74.04 C ATOM 844 C ARG A 56 1.920 -8.112 11.140 1.00 1.10 C ATOM 845 O ARG A 56 1.503 -7.208 11.869 1.00 45.04 O ATOM 846 CB ARG A 56 1.970 -8.163 8.617 1.00 13.44 C ATOM 847 CG ARG A 56 2.715 -7.826 7.324 1.00 60.23 C ATOM 848 CD ARG A 56 2.075 -8.479 6.097 1.00 20.44 C ATOM 849 NE ARG A 56 0.659 -8.127 5.945 1.00 20.11 N ATOM 850 CZ ARG A 56 -0.040 -8.270 4.812 1.00 51.15 C ATOM 851 NH1 ARG A 56 0.553 -8.704 3.706 1.00 31.34 N ATOM 852 NH2 ARG A 56 -1.334 -7.972 4.790 1.00 24.14 N ATOM 0 H ARG A 56 4.030 -9.357 9.321 1.00 63.50 H new ATOM 0 HA ARG A 56 2.967 -6.734 9.869 1.00 74.04 H new ATOM 0 HB2 ARG A 56 1.745 -9.230 8.629 1.00 13.44 H new ATOM 0 HB3 ARG A 56 1.016 -7.636 8.624 1.00 13.44 H new ATOM 0 HG2 ARG A 56 2.733 -6.745 7.189 1.00 60.23 H new ATOM 0 HG3 ARG A 56 3.751 -8.154 7.408 1.00 60.23 H new ATOM 0 HD2 ARG A 56 2.619 -8.175 5.203 1.00 20.44 H new ATOM 0 HD3 ARG A 56 2.170 -9.562 6.175 1.00 20.44 H new ATOM 0 HE ARG A 56 0.174 -7.747 6.758 1.00 20.11 H new ATOM 0 HH11 ARG A 56 1.547 -8.931 3.716 1.00 31.34 H new ATOM 0 HH12 ARG A 56 0.014 -8.810 2.847 1.00 31.34 H new ATOM 0 HH21 ARG A 56 -1.794 -7.635 5.636 1.00 24.14 H new ATOM 0 HH22 ARG A 56 -1.868 -8.080 3.928 1.00 24.14 H new ATOM 866 N ALA A 57 1.709 -9.406 11.382 1.00 75.53 N ATOM 867 CA ALA A 57 0.990 -9.882 12.561 1.00 40.24 C ATOM 868 C ALA A 57 1.026 -11.408 12.616 1.00 71.25 C ATOM 869 O ALA A 57 0.896 -12.071 11.587 1.00 53.35 O ATOM 870 CB ALA A 57 -0.456 -9.394 12.549 1.00 34.42 C ATOM 0 H ALA A 57 2.032 -10.152 10.766 1.00 75.53 H new ATOM 0 HA ALA A 57 1.481 -9.480 13.447 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -0.971 -9.761 13.437 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -0.472 -8.304 12.545 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -0.959 -9.768 11.657 1.00 34.42 H new ATOM 876 N HIS A 58 1.218 -11.962 13.811 1.00 23.12 N ATOM 877 CA HIS A 58 1.210 -13.415 14.001 1.00 21.31 C ATOM 878 C HIS A 58 0.087 -13.790 14.975 1.00 2.53 C ATOM 879 O HIS A 58 0.096 -14.863 15.582 1.00 62.41 O ATOM 880 CB HIS A 58 2.578 -13.898 14.526 1.00 52.13 C ATOM 881 CG HIS A 58 2.852 -15.368 14.317 1.00 71.23 C ATOM 882 ND1 HIS A 58 4.119 -15.874 14.106 1.00 12.41 N ATOM 883 CD2 HIS A 58 2.022 -16.441 14.301 1.00 64.10 C ATOM 884 CE1 HIS A 58 4.054 -17.186 13.969 1.00 73.52 C ATOM 885 NE2 HIS A 58 2.792 -17.555 14.083 1.00 44.32 N ATOM 0 H HIS A 58 1.381 -11.428 14.665 1.00 23.12 H new ATOM 0 HA HIS A 58 1.029 -13.906 13.045 1.00 21.31 H new ATOM 0 HB2 HIS A 58 3.363 -13.323 14.036 1.00 52.13 H new ATOM 0 HB3 HIS A 58 2.641 -13.679 15.592 1.00 52.13 H new ATOM 0 HD1 HIS A 58 4.974 -15.320 14.063 1.00 12.41 H new ATOM 0 HD2 HIS A 58 0.951 -16.422 14.435 1.00 64.10 H new ATOM 0 HE1 HIS A 58 4.891 -17.845 13.793 1.00 73.52 H new ATOM 894 N PHE A 59 -0.883 -12.889 15.115 1.00 45.53 N ATOM 895 CA PHE A 59 -2.047 -13.125 15.971 1.00 61.11 C ATOM 896 C PHE A 59 -2.945 -14.190 15.350 1.00 4.21 C ATOM 897 O PHE A 59 -3.637 -14.930 16.054 1.00 51.30 O ATOM 898 CB PHE A 59 -2.838 -11.824 16.173 1.00 63.21 C ATOM 899 CG PHE A 59 -2.079 -10.764 16.927 1.00 13.13 C ATOM 900 CD1 PHE A 59 -1.130 -9.979 16.286 1.00 72.53 C ATOM 901 CD2 PHE A 59 -2.309 -10.554 18.281 1.00 55.13 C ATOM 902 CE1 PHE A 59 -0.432 -9.009 16.975 1.00 53.22 C ATOM 903 CE2 PHE A 59 -1.612 -9.584 18.974 1.00 72.34 C ATOM 904 CZ PHE A 59 -0.672 -8.811 18.322 1.00 32.55 C ATOM 0 H PHE A 59 -0.887 -11.984 14.645 1.00 45.53 H new ATOM 0 HA PHE A 59 -1.698 -13.475 16.943 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -3.125 -11.429 15.199 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -3.760 -12.049 16.710 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -0.936 -10.130 15.234 1.00 72.53 H new ATOM 0 HD2 PHE A 59 -3.042 -11.156 18.798 1.00 55.13 H new ATOM 0 HE1 PHE A 59 0.302 -8.405 16.462 1.00 53.22 H new ATOM 0 HE2 PHE A 59 -1.802 -9.430 20.026 1.00 72.34 H new ATOM 0 HZ PHE A 59 -0.125 -8.053 18.863 1.00 32.55 H new ATOM 914 N ASP A 60 -2.924 -14.253 14.022 1.00 3.23 N ATOM 915 CA ASP A 60 -3.698 -15.239 13.279 1.00 22.13 C ATOM 916 C ASP A 60 -3.091 -16.628 13.422 1.00 20.41 C ATOM 917 O ASP A 60 -1.872 -16.799 13.353 1.00 31.31 O ATOM 918 CB ASP A 60 -3.788 -14.861 11.790 1.00 1.13 C ATOM 919 CG ASP A 60 -4.764 -13.725 11.538 1.00 72.32 C ATOM 920 OD1 ASP A 60 -4.351 -12.549 11.597 1.00 64.02 O ATOM 921 OD2 ASP A 60 -5.956 -14.010 11.286 1.00 21.21 O ATOM 0 H ASP A 60 -2.374 -13.626 13.435 1.00 3.23 H new ATOM 0 HA ASP A 60 -4.704 -15.251 13.699 1.00 22.13 H new ATOM 0 HB2 ASP A 60 -2.800 -14.574 11.431 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -4.095 -15.734 11.214 1.00 1.13 H new ATOM 926 N HIS A 61 -3.959 -17.619 13.604 1.00 13.11 N ATOM 927 CA HIS A 61 -3.538 -19.013 13.752 1.00 64.41 C ATOM 928 C HIS A 61 -3.633 -19.739 12.407 1.00 11.03 C ATOM 929 O HIS A 61 -3.833 -20.952 12.350 1.00 35.12 O ATOM 930 CB HIS A 61 -4.393 -19.723 14.821 1.00 74.10 C ATOM 931 CG HIS A 61 -5.873 -19.627 14.592 1.00 43.02 C ATOM 932 ND1 HIS A 61 -6.590 -20.558 13.869 1.00 14.13 N ATOM 933 CD2 HIS A 61 -6.774 -18.703 15.006 1.00 43.44 C ATOM 934 CE1 HIS A 61 -7.862 -20.208 13.844 1.00 75.35 C ATOM 935 NE2 HIS A 61 -8.000 -19.089 14.528 1.00 64.30 N ATOM 0 H HIS A 61 -4.969 -17.482 13.653 1.00 13.11 H new ATOM 0 HA HIS A 61 -2.499 -19.034 14.081 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -4.110 -20.775 14.856 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -4.160 -19.298 15.797 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -6.565 -17.826 15.601 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -8.656 -20.747 13.348 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -8.877 -18.591 14.677 1.00 64.30 H new ATOM 944 N ILE A 62 -3.454 -18.980 11.329 1.00 73.14 N ATOM 945 CA ILE A 62 -3.513 -19.513 9.965 1.00 65.44 C ATOM 946 C ILE A 62 -2.162 -20.097 9.533 1.00 41.11 C ATOM 947 O ILE A 62 -1.947 -20.332 8.345 1.00 32.13 O ATOM 948 CB ILE A 62 -3.944 -18.427 8.946 1.00 10.35 C ATOM 949 CG1 ILE A 62 -2.955 -17.248 8.955 1.00 42.10 C ATOM 950 CG2 ILE A 62 -5.366 -17.947 9.243 1.00 43.04 C ATOM 951 CD1 ILE A 62 -3.283 -16.162 7.948 1.00 32.42 C ATOM 0 H ILE A 62 -3.264 -17.979 11.373 1.00 73.14 H new ATOM 0 HA ILE A 62 -4.260 -20.307 9.975 1.00 65.44 H new ATOM 0 HB ILE A 62 -3.934 -18.868 7.949 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -2.936 -16.810 9.953 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -1.953 -17.626 8.753 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -5.652 -17.185 8.518 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -6.056 -18.788 9.176 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -5.405 -17.525 10.247 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -2.541 -15.367 8.016 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -3.273 -16.583 6.943 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -4.271 -15.755 8.161 1.00 32.42 H new ATOM 963 N ASP A 63 -1.278 -20.327 10.515 1.00 1.43 N ATOM 964 CA ASP A 63 0.112 -20.776 10.286 1.00 15.25 C ATOM 965 C ASP A 63 0.274 -21.662 9.047 1.00 43.10 C ATOM 966 O ASP A 63 -0.547 -22.538 8.773 1.00 22.32 O ATOM 967 CB ASP A 63 0.656 -21.516 11.518 1.00 62.22 C ATOM 968 CG ASP A 63 2.029 -22.146 11.276 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.913 -21.467 10.710 1.00 71.15 O ATOM 970 OD2 ASP A 63 2.225 -23.324 11.637 1.00 31.43 O ATOM 0 H ASP A 63 -1.506 -20.207 11.502 1.00 1.43 H new ATOM 0 HA ASP A 63 0.689 -19.868 10.109 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.724 -20.819 12.353 1.00 62.22 H new ATOM 0 HB3 ASP A 63 -0.049 -22.295 11.809 1.00 62.22 H new ATOM 975 N ILE A 64 1.374 -21.428 8.339 1.00 35.01 N ATOM 976 CA ILE A 64 1.681 -22.072 7.060 1.00 74.34 C ATOM 977 C ILE A 64 2.501 -23.348 7.264 1.00 73.52 C ATOM 978 O ILE A 64 2.392 -24.301 6.489 1.00 13.12 O ATOM 979 CB ILE A 64 2.447 -21.065 6.158 1.00 55.31 C ATOM 980 CG1 ILE A 64 2.907 -21.710 4.844 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.641 -20.479 6.904 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.194 -20.714 3.745 1.00 23.31 C ATOM 0 H ILE A 64 2.094 -20.772 8.642 1.00 35.01 H new ATOM 0 HA ILE A 64 0.749 -22.361 6.575 1.00 74.34 H new ATOM 0 HB ILE A 64 1.754 -20.262 5.908 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.805 -22.297 5.033 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.139 -22.404 4.502 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.165 -19.776 6.257 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.293 -19.960 7.797 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.319 -21.282 7.193 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.514 -21.244 2.848 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.292 -20.143 3.527 1.00 23.31 H new ATOM 0 HD13 ILE A 64 3.984 -20.035 4.066 1.00 23.31 H new ATOM 994 N GLY A 65 3.291 -23.371 8.329 1.00 24.22 N ATOM 995 CA GLY A 65 4.154 -24.510 8.597 1.00 1.30 C ATOM 996 C GLY A 65 3.375 -25.754 8.990 1.00 31.50 C ATOM 997 O GLY A 65 3.688 -26.866 8.549 1.00 64.12 O ATOM 0 H GLY A 65 3.351 -22.619 9.016 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.751 -24.725 7.711 1.00 1.30 H new ATOM 0 HA3 GLY A 65 4.850 -24.254 9.396 1.00 1.30 H new ATOM 1001 N VAL A 66 2.343 -25.562 9.810 1.00 52.41 N ATOM 1002 CA VAL A 66 1.532 -26.669 10.315 1.00 10.01 C ATOM 1003 C VAL A 66 0.966 -27.517 9.175 1.00 22.33 C ATOM 1004 O VAL A 66 0.875 -28.742 9.286 1.00 54.21 O ATOM 1005 CB VAL A 66 0.369 -26.161 11.212 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.585 -25.264 10.424 1.00 35.32 C ATOM 1007 CG2 VAL A 66 -0.380 -27.329 11.855 1.00 25.14 C ATOM 0 H VAL A 66 2.047 -24.644 10.141 1.00 52.41 H new ATOM 0 HA VAL A 66 2.194 -27.291 10.918 1.00 10.01 H new ATOM 0 HB VAL A 66 0.804 -25.562 12.012 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.388 -24.924 11.078 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.040 -24.402 10.040 1.00 35.32 H new ATOM 0 HG13 VAL A 66 -1.008 -25.826 9.591 1.00 35.32 H new ATOM 0 HG21 VAL A 66 -1.188 -26.945 12.477 1.00 25.14 H new ATOM 0 HG22 VAL A 66 -0.795 -27.969 11.076 1.00 25.14 H new ATOM 0 HG23 VAL A 66 0.308 -27.908 12.471 1.00 25.14 H new ATOM 1017 N LEU A 67 0.613 -26.867 8.068 1.00 55.10 N ATOM 1018 CA LEU A 67 0.025 -27.564 6.927 1.00 53.21 C ATOM 1019 C LEU A 67 0.957 -28.656 6.407 1.00 52.34 C ATOM 1020 O LEU A 67 0.518 -29.772 6.129 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.333 -26.587 5.795 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.563 -25.694 6.034 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.618 -26.403 6.883 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -1.158 -24.362 6.646 1.00 50.24 C ATOM 0 H LEU A 67 0.724 -25.861 7.937 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.895 -28.033 7.276 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.528 -25.944 5.612 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.499 -27.163 4.885 1.00 43.44 H new ATOM 0 HG LEU A 67 -2.017 -25.491 5.064 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.471 -25.741 7.030 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.946 -27.310 6.374 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.190 -26.665 7.851 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -2.046 -23.750 6.805 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.662 -24.536 7.601 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.476 -23.844 5.972 1.00 50.24 H new ATOM 1036 N ILE A 68 2.246 -28.338 6.313 1.00 31.54 N ATOM 1037 CA ILE A 68 3.238 -29.288 5.812 1.00 2.51 C ATOM 1038 C ILE A 68 3.296 -30.526 6.710 1.00 51.44 C ATOM 1039 O ILE A 68 3.509 -31.647 6.242 1.00 60.32 O ATOM 1040 CB ILE A 68 4.645 -28.644 5.720 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.588 -27.358 4.878 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.654 -29.626 5.126 1.00 72.11 C ATOM 1043 CD1 ILE A 68 5.925 -26.658 4.739 1.00 31.33 C ATOM 0 H ILE A 68 2.629 -27.430 6.577 1.00 31.54 H new ATOM 0 HA ILE A 68 2.930 -29.584 4.809 1.00 2.51 H new ATOM 0 HB ILE A 68 4.972 -28.389 6.728 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.211 -27.602 3.885 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.874 -26.670 5.330 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.634 -29.152 5.071 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.714 -30.512 5.758 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.334 -29.915 4.125 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.804 -25.760 4.132 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.295 -26.382 5.726 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.638 -27.328 4.258 1.00 31.33 H new ATOM 1055 N THR A 69 3.058 -30.315 8.005 1.00 24.31 N ATOM 1056 CA THR A 69 3.080 -31.401 8.978 1.00 33.41 C ATOM 1057 C THR A 69 1.888 -32.329 8.750 1.00 42.44 C ATOM 1058 O THR A 69 1.955 -33.534 9.009 1.00 21.42 O ATOM 1059 CB THR A 69 3.051 -30.842 10.421 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.130 -29.911 10.593 1.00 24.41 O ATOM 1061 CG2 THR A 69 3.163 -31.956 11.462 1.00 64.12 C ATOM 0 H THR A 69 2.848 -29.399 8.402 1.00 24.31 H new ATOM 0 HA THR A 69 4.003 -31.966 8.847 1.00 33.41 H new ATOM 0 HB THR A 69 2.094 -30.342 10.570 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.112 -29.555 11.506 1.00 24.41 H new ATOM 0 HG21 THR A 69 3.139 -31.523 12.462 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.329 -32.648 11.346 1.00 64.12 H new ATOM 0 HG23 THR A 69 4.101 -32.492 11.321 1.00 64.12 H new ATOM 1069 N GLN A 70 0.795 -31.754 8.255 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.397 -32.525 7.925 1.00 71.34 C ATOM 1071 C GLN A 70 -0.197 -33.261 6.606 1.00 10.03 C ATOM 1072 O GLN A 70 -0.536 -34.435 6.486 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.625 -31.610 7.848 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.769 -30.692 9.058 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.203 -30.255 9.301 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.949 -30.915 10.024 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.603 -29.149 8.696 1.00 21.40 N ATOM 0 H GLN A 70 0.712 -30.754 8.074 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.566 -33.259 8.713 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.561 -31.003 6.945 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.522 -32.223 7.757 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.396 -31.206 9.944 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -1.145 -29.810 8.915 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -2.955 -28.629 8.104 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.559 -28.816 8.821 1.00 21.40 H new ATOM 1086 N MET A 71 0.385 -32.557 5.638 1.00 14.01 N ATOM 1087 CA MET A 71 0.614 -33.090 4.291 1.00 13.13 C ATOM 1088 C MET A 71 1.558 -34.289 4.313 1.00 21.22 C ATOM 1089 O MET A 71 1.352 -35.267 3.592 1.00 40.43 O ATOM 1090 CB MET A 71 1.205 -31.995 3.399 1.00 61.13 C ATOM 1091 CG MET A 71 0.235 -30.868 3.065 1.00 14.31 C ATOM 1092 SD MET A 71 1.062 -29.271 2.938 1.00 65.25 S ATOM 1093 CE MET A 71 2.506 -29.720 1.979 1.00 3.01 C ATOM 0 H MET A 71 0.713 -31.599 5.762 1.00 14.01 H new ATOM 0 HA MET A 71 -0.346 -33.421 3.895 1.00 13.13 H new ATOM 0 HB2 MET A 71 2.079 -31.572 3.894 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.552 -32.447 2.470 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.267 -31.091 2.124 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.536 -30.815 3.833 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.864 -28.848 1.431 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.290 -30.076 2.647 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.244 -30.509 1.274 1.00 3.01 H new ATOM 1103 N THR A 72 2.599 -34.206 5.139 1.00 74.35 N ATOM 1104 CA THR A 72 3.586 -35.278 5.246 1.00 54.12 C ATOM 1105 C THR A 72 2.925 -36.568 5.731 1.00 21.40 C ATOM 1106 O THR A 72 3.429 -37.675 5.509 1.00 10.21 O ATOM 1107 CB THR A 72 4.742 -34.891 6.209 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.892 -35.716 5.963 1.00 54.05 O ATOM 1109 CG2 THR A 72 4.332 -35.030 7.673 1.00 32.34 C ATOM 0 H THR A 72 2.781 -33.406 5.745 1.00 74.35 H new ATOM 0 HA THR A 72 4.005 -35.438 4.252 1.00 54.12 H new ATOM 0 HB THR A 72 4.984 -33.846 6.017 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.614 -35.462 6.575 1.00 54.05 H new ATOM 0 HG21 THR A 72 5.168 -34.750 8.313 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.484 -34.376 7.877 1.00 32.34 H new ATOM 0 HG23 THR A 72 4.050 -36.063 7.875 1.00 32.34 H new ATOM 1117 N ASP A 73 1.788 -36.407 6.394 1.00 14.31 N ATOM 1118 CA ASP A 73 1.059 -37.517 6.993 1.00 73.20 C ATOM 1119 C ASP A 73 -0.069 -37.982 6.083 1.00 63.12 C ATOM 1120 O ASP A 73 -0.197 -39.169 5.780 1.00 62.50 O ATOM 1121 CB ASP A 73 0.487 -37.058 8.335 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.364 -38.118 9.022 1.00 24.13 C ATOM 1123 OD1 ASP A 73 0.201 -39.012 9.686 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -1.609 -38.047 8.919 1.00 73.12 O ATOM 0 H ASP A 73 1.343 -35.499 6.532 1.00 14.31 H new ATOM 0 HA ASP A 73 1.740 -38.355 7.139 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.308 -36.777 8.995 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.116 -36.164 8.178 1.00 53.23 H new ATOM 1129 N GLU A 74 -0.873 -37.027 5.638 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.063 -37.310 4.855 1.00 13.52 C ATOM 1131 C GLU A 74 -2.329 -36.167 3.878 1.00 52.34 C ATOM 1132 O GLU A 74 -2.347 -35.000 4.274 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.258 -37.505 5.796 1.00 65.33 C ATOM 1134 CG GLU A 74 -4.572 -37.828 5.097 1.00 22.12 C ATOM 1135 CD GLU A 74 -5.700 -38.036 6.091 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -5.888 -39.185 6.551 1.00 64.11 O ATOM 1137 OE2 GLU A 74 -6.380 -37.050 6.443 1.00 51.53 O ATOM 0 H GLU A 74 -0.717 -36.034 5.811 1.00 53.04 H new ATOM 0 HA GLU A 74 -1.913 -38.224 4.281 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.026 -38.309 6.494 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.390 -36.599 6.387 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -4.831 -37.017 4.417 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -4.451 -38.726 4.491 1.00 22.12 H new ATOM 1144 N MET A 75 -2.524 -36.502 2.605 1.00 3.01 N ATOM 1145 CA MET A 75 -2.803 -35.494 1.582 1.00 44.15 C ATOM 1146 C MET A 75 -4.268 -35.056 1.682 1.00 2.42 C ATOM 1147 O MET A 75 -5.128 -35.850 2.067 1.00 23.31 O ATOM 1148 CB MET A 75 -2.506 -36.045 0.172 1.00 64.55 C ATOM 1149 CG MET A 75 -3.581 -36.982 -0.365 1.00 34.12 C ATOM 1150 SD MET A 75 -3.103 -37.796 -1.911 1.00 53.33 S ATOM 1151 CE MET A 75 -2.822 -36.382 -2.977 1.00 73.05 C ATOM 0 H MET A 75 -2.494 -37.460 2.257 1.00 3.01 H new ATOM 0 HA MET A 75 -2.155 -34.634 1.751 1.00 44.15 H new ATOM 0 HB2 MET A 75 -2.390 -35.208 -0.517 1.00 64.55 H new ATOM 0 HB3 MET A 75 -1.554 -36.575 0.193 1.00 64.55 H new ATOM 0 HG2 MET A 75 -3.802 -37.741 0.386 1.00 34.12 H new ATOM 0 HG3 MET A 75 -4.499 -36.418 -0.527 1.00 34.12 H new ATOM 0 HE1 MET A 75 -2.766 -36.713 -4.014 1.00 73.05 H new ATOM 0 HE2 MET A 75 -3.643 -35.674 -2.866 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.886 -35.898 -2.700 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.569 -33.787 1.355 1.00 3.41 N ATOM 1162 CA PRO A 76 -5.943 -33.265 1.394 1.00 54.22 C ATOM 1163 C PRO A 76 -6.825 -33.866 0.288 1.00 61.51 C ATOM 1164 O PRO A 76 -7.436 -34.919 0.478 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.745 -31.752 1.207 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.478 -31.646 0.426 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.598 -32.753 0.941 1.00 32.14 C ATOM 0 HA PRO A 76 -6.464 -33.518 2.317 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.582 -31.303 0.672 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.667 -31.238 2.165 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.664 -31.757 -0.642 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.009 -30.672 0.568 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.921 -33.121 0.170 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -2.981 -32.422 1.776 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.885 -33.201 -0.866 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.631 -33.707 -2.010 1.00 24.23 C ATOM 1177 C ARG A 77 -7.081 -33.079 -3.279 1.00 64.03 C ATOM 1178 O ARG A 77 -6.675 -31.915 -3.266 1.00 31.21 O ATOM 1179 CB ARG A 77 -9.118 -33.368 -1.879 1.00 34.31 C ATOM 1180 CG ARG A 77 -10.044 -34.240 -2.723 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.508 -33.898 -2.467 1.00 35.21 C ATOM 1182 NE ARG A 77 -11.850 -34.008 -1.046 1.00 33.43 N ATOM 1183 CZ ARG A 77 -12.770 -33.261 -0.427 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -13.497 -32.379 -1.104 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -12.965 -33.413 0.874 1.00 24.22 N ATOM 0 H ARG A 77 -6.422 -32.307 -1.030 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.524 -34.791 -2.049 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -9.408 -33.460 -0.832 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.266 -32.325 -2.160 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.815 -34.102 -3.780 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.868 -35.291 -2.493 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.711 -32.884 -2.813 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -12.145 -34.566 -3.047 1.00 35.21 H new ATOM 0 HE ARG A 77 -11.351 -34.703 -0.491 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -13.357 -32.266 -2.108 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -14.196 -31.815 -0.620 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -12.415 -34.096 1.396 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -13.665 -32.847 1.354 1.00 24.22 H new ATOM 1199 N GLU A 78 -7.088 -33.831 -4.364 1.00 43.11 N ATOM 1200 CA GLU A 78 -6.598 -33.330 -5.643 1.00 10.22 C ATOM 1201 C GLU A 78 -7.523 -32.226 -6.152 1.00 23.31 C ATOM 1202 O GLU A 78 -7.076 -31.245 -6.749 1.00 30.35 O ATOM 1203 CB GLU A 78 -6.491 -34.462 -6.676 1.00 42.54 C ATOM 1204 CG GLU A 78 -5.495 -35.555 -6.292 1.00 21.42 C ATOM 1205 CD GLU A 78 -5.266 -36.558 -7.413 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -4.477 -36.256 -8.335 1.00 24.35 O ATOM 1207 OE2 GLU A 78 -5.868 -37.651 -7.387 1.00 3.12 O ATOM 0 H GLU A 78 -7.427 -34.793 -4.389 1.00 43.11 H new ATOM 0 HA GLU A 78 -5.599 -32.920 -5.496 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -7.475 -34.911 -6.812 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -6.199 -34.038 -7.637 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -4.544 -35.096 -6.020 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -5.860 -36.080 -5.409 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.813 -32.396 -5.882 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.826 -31.417 -6.244 1.00 62.11 C ATOM 1216 C GLU A 79 -9.553 -30.082 -5.557 1.00 42.33 C ATOM 1217 O GLU A 79 -9.664 -29.018 -6.169 1.00 30.53 O ATOM 1218 CB GLU A 79 -11.216 -31.939 -5.852 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.741 -33.075 -6.729 1.00 54.04 C ATOM 1220 CD GLU A 79 -10.840 -34.301 -6.754 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -11.018 -35.200 -5.904 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -9.952 -34.372 -7.627 1.00 35.35 O ATOM 0 H GLU A 79 -9.184 -33.218 -5.405 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.792 -31.261 -7.322 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -11.182 -32.282 -4.818 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -11.924 -31.111 -5.890 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -12.728 -33.369 -6.373 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.866 -32.707 -7.747 1.00 54.04 H new ATOM 1229 N ASP A 80 -9.189 -30.147 -4.283 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.900 -28.946 -3.510 1.00 23.21 C ATOM 1231 C ASP A 80 -7.599 -28.308 -3.986 1.00 50.24 C ATOM 1232 O ASP A 80 -7.509 -27.087 -4.111 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.837 -29.255 -2.007 1.00 4.30 C ATOM 1234 CG ASP A 80 -10.169 -29.743 -1.450 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -11.231 -29.279 -1.927 1.00 72.24 O ATOM 1236 OD2 ASP A 80 -10.160 -30.599 -0.542 1.00 34.04 O ATOM 0 H ASP A 80 -9.087 -31.018 -3.763 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.712 -28.237 -3.669 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.074 -30.012 -1.828 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -8.529 -28.359 -1.469 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.597 -29.140 -4.267 1.00 52.33 N ATOM 1242 CA ILE A 81 -5.332 -28.660 -4.822 1.00 75.11 C ATOM 1243 C ILE A 81 -5.593 -27.934 -6.142 1.00 23.01 C ATOM 1244 O ILE A 81 -5.013 -26.879 -6.420 1.00 54.32 O ATOM 1245 CB ILE A 81 -4.331 -29.829 -5.044 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -4.005 -30.518 -3.704 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -3.054 -29.329 -5.722 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -3.192 -31.791 -3.845 1.00 11.21 C ATOM 0 H ILE A 81 -6.636 -30.149 -4.120 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.885 -27.969 -4.107 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.797 -30.561 -5.703 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.458 -29.819 -3.071 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.938 -30.750 -3.190 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -2.368 -30.164 -5.867 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -3.303 -28.891 -6.689 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.580 -28.575 -5.094 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -3.005 -32.214 -2.858 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.744 -32.510 -4.450 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -2.242 -31.564 -4.329 1.00 11.21 H new ATOM 1260 N GLU A 82 -6.506 -28.495 -6.930 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.912 -27.933 -8.194 1.00 13.24 C ATOM 1262 C GLU A 82 -7.593 -26.577 -7.982 1.00 5.44 C ATOM 1263 O GLU A 82 -7.174 -25.561 -8.553 1.00 1.51 O ATOM 1264 CB GLU A 82 -7.859 -28.930 -8.873 1.00 73.20 C ATOM 1265 CG GLU A 82 -8.520 -28.411 -10.131 1.00 75.31 C ATOM 1266 CD GLU A 82 -7.542 -28.222 -11.274 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -7.165 -29.228 -11.913 1.00 14.40 O ATOM 1268 OE2 GLU A 82 -7.148 -27.070 -11.546 1.00 2.33 O ATOM 0 H GLU A 82 -6.985 -29.365 -6.696 1.00 20.30 H new ATOM 0 HA GLU A 82 -6.044 -27.761 -8.831 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -7.300 -29.833 -9.118 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -8.634 -29.217 -8.162 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -9.301 -29.106 -10.439 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -9.007 -27.460 -9.914 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.614 -26.564 -7.123 1.00 62.13 N ATOM 1276 CA ARG A 83 -9.416 -25.363 -6.900 1.00 64.02 C ATOM 1277 C ARG A 83 -8.546 -24.223 -6.368 1.00 23.45 C ATOM 1278 O ARG A 83 -8.697 -23.075 -6.780 1.00 51.11 O ATOM 1279 CB ARG A 83 -10.594 -25.641 -5.938 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.256 -25.525 -4.451 1.00 32.11 C ATOM 1281 CD ARG A 83 -11.475 -25.791 -3.569 1.00 70.23 C ATOM 1282 NE ARG A 83 -11.244 -25.420 -2.167 1.00 52.13 N ATOM 1283 CZ ARG A 83 -11.948 -25.904 -1.139 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -12.873 -26.836 -1.336 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -11.722 -25.462 0.090 1.00 32.14 N ATOM 0 H ARG A 83 -8.904 -27.372 -6.572 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.834 -25.062 -7.861 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -11.402 -24.946 -6.167 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -10.973 -26.645 -6.132 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -9.466 -26.233 -4.202 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -9.868 -24.528 -4.243 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -12.328 -25.232 -3.954 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -11.736 -26.848 -3.624 1.00 70.23 H new ATOM 0 HE ARG A 83 -10.500 -24.752 -1.965 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -13.050 -27.188 -2.277 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -13.406 -27.200 -0.546 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -11.009 -24.751 0.253 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -12.261 -25.833 0.873 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.614 -24.547 -5.470 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.769 -23.526 -4.867 1.00 41.51 C ATOM 1301 C VAL A 84 -5.736 -23.014 -5.875 1.00 42.42 C ATOM 1302 O VAL A 84 -5.611 -21.808 -6.075 1.00 71.31 O ATOM 1303 CB VAL A 84 -6.072 -24.025 -3.567 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -5.025 -25.102 -3.850 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.462 -22.853 -2.797 1.00 65.02 C ATOM 0 H VAL A 84 -7.430 -25.498 -5.150 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.420 -22.700 -4.582 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.839 -24.486 -2.944 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.566 -25.419 -2.913 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.503 -25.958 -4.327 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -4.258 -24.699 -4.512 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.980 -23.224 -1.892 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.723 -22.352 -3.422 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.247 -22.147 -2.527 1.00 65.02 H new ATOM 1315 N ARG A 85 -5.027 -23.929 -6.542 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.996 -23.547 -7.507 1.00 63.21 C ATOM 1317 C ARG A 85 -4.576 -22.637 -8.594 1.00 31.04 C ATOM 1318 O ARG A 85 -3.977 -21.623 -8.949 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.337 -24.786 -8.142 1.00 13.42 C ATOM 1320 CG ARG A 85 -4.217 -25.534 -9.140 1.00 50.13 C ATOM 1321 CD ARG A 85 -3.491 -26.709 -9.785 1.00 12.03 C ATOM 1322 NE ARG A 85 -4.301 -27.334 -10.837 1.00 64.53 N ATOM 1323 CZ ARG A 85 -3.820 -28.163 -11.766 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -2.542 -28.517 -11.751 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -4.632 -28.650 -12.699 1.00 44.23 N ATOM 0 H ARG A 85 -5.148 -24.936 -6.431 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.228 -22.995 -6.965 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.422 -24.476 -8.646 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -3.046 -25.474 -7.348 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -5.111 -25.897 -8.632 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -4.549 -24.845 -9.916 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -2.547 -26.366 -10.208 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.249 -27.450 -9.023 1.00 12.03 H new ATOM 0 HE ARG A 85 -5.298 -27.121 -10.860 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -1.921 -28.155 -11.027 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -2.180 -29.151 -12.463 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -5.618 -28.390 -12.703 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -4.269 -29.284 -13.411 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.755 -22.993 -9.109 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.390 -22.204 -10.169 1.00 61.13 C ATOM 1341 C ARG A 86 -6.918 -20.873 -9.624 1.00 43.24 C ATOM 1342 O ARG A 86 -6.895 -19.855 -10.318 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.527 -22.984 -10.845 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.702 -23.293 -9.927 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.858 -23.928 -10.684 1.00 34.11 C ATOM 1346 NE ARG A 86 -9.445 -25.110 -11.439 1.00 1.42 N ATOM 1347 CZ ARG A 86 -10.241 -25.779 -12.271 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.512 -25.417 -12.428 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -9.763 -26.812 -12.944 1.00 54.51 N ATOM 0 H ARG A 86 -6.285 -23.813 -8.814 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.626 -21.996 -10.918 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.888 -22.411 -11.699 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.129 -23.921 -11.235 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.376 -23.964 -9.132 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.041 -22.374 -9.449 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -10.642 -24.205 -9.979 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -10.288 -23.195 -11.367 1.00 34.11 H new ATOM 0 HE ARG A 86 -8.488 -25.443 -11.321 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -11.884 -24.621 -11.909 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -12.115 -25.935 -13.067 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -8.790 -27.092 -12.824 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -10.368 -27.328 -13.583 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.393 -20.891 -8.380 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.886 -19.680 -7.721 1.00 5.31 C ATOM 1365 C HIS A 87 -6.729 -18.705 -7.522 1.00 35.45 C ATOM 1366 O HIS A 87 -6.876 -17.496 -7.684 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.529 -20.044 -6.370 1.00 31.33 C ATOM 1368 CG HIS A 87 -9.256 -18.914 -5.697 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.588 -18.637 -5.925 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.842 -18.006 -4.775 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.957 -17.613 -5.180 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -9.920 -17.212 -4.470 1.00 10.01 N ATOM 0 H HIS A 87 -7.448 -21.732 -7.806 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.643 -19.205 -8.345 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.227 -20.866 -6.525 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.751 -20.409 -5.699 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -7.849 -17.924 -4.359 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.944 -17.176 -5.155 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -9.919 -16.439 -3.804 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.574 -19.264 -7.192 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.346 -18.500 -6.992 1.00 61.31 C ATOM 1383 C LEU A 88 -3.760 -18.040 -8.328 1.00 10.22 C ATOM 1384 O LEU A 88 -3.185 -16.949 -8.425 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.332 -19.365 -6.226 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.486 -19.379 -4.688 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.902 -18.108 -4.076 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.950 -19.525 -4.267 1.00 1.22 C ATOM 0 H LEU A 88 -5.459 -20.268 -7.054 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.575 -17.607 -6.410 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.409 -20.390 -6.589 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.328 -19.016 -6.469 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.936 -20.244 -4.318 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -3.021 -18.138 -2.993 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.843 -18.039 -4.323 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.425 -17.239 -4.474 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -5.017 -19.531 -3.179 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.527 -18.689 -4.662 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.350 -20.460 -4.660 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.931 -18.871 -9.356 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.430 -18.570 -10.699 1.00 61.34 C ATOM 1402 C ALA A 89 -4.040 -17.278 -11.233 1.00 73.12 C ATOM 1403 O ALA A 89 -3.463 -16.618 -12.098 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.718 -19.730 -11.649 1.00 24.15 C ATOM 0 H ALA A 89 -4.417 -19.765 -9.284 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.351 -18.433 -10.635 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.339 -19.489 -12.642 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.227 -20.631 -11.282 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.794 -19.898 -11.702 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.214 -16.926 -10.712 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.880 -15.677 -11.078 1.00 63.34 C ATOM 1412 C LEU A 90 -5.024 -14.477 -10.679 1.00 72.14 C ATOM 1413 O LEU A 90 -4.985 -13.467 -11.385 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.253 -15.589 -10.400 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.268 -16.668 -10.819 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.570 -16.520 -10.038 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.533 -16.610 -12.324 1.00 12.44 C ATOM 0 H LEU A 90 -5.725 -17.490 -10.033 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.017 -15.664 -12.159 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.111 -15.648 -9.321 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.682 -14.609 -10.612 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.839 -17.643 -10.586 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.272 -17.293 -10.351 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.368 -16.623 -8.972 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.001 -15.538 -10.233 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.253 -17.382 -12.597 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.934 -15.631 -12.585 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.601 -16.776 -12.864 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.346 -14.596 -9.543 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.440 -13.553 -9.069 1.00 44.25 C ATOM 1431 C GLN A 91 -2.069 -13.722 -9.711 1.00 0.14 C ATOM 1432 O GLN A 91 -1.353 -12.743 -9.937 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.319 -13.578 -7.534 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.549 -13.027 -6.812 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.786 -13.894 -6.973 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -6.910 -13.390 -7.023 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.600 -15.203 -7.018 1.00 3.21 N ATOM 0 H GLN A 91 -4.406 -15.409 -8.929 1.00 52.33 H new ATOM 0 HA GLN A 91 -3.852 -12.586 -9.357 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.147 -14.604 -7.209 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.445 -12.999 -7.238 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.322 -12.925 -5.751 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -4.764 -12.027 -7.189 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.656 -15.586 -6.974 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.401 -15.830 -7.097 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.709 -14.966 -9.996 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.454 -15.237 -10.674 1.00 34.23 C ATOM 1448 C GLY A 92 0.060 -16.634 -10.413 1.00 75.14 C ATOM 1449 O GLY A 92 -0.542 -17.394 -9.651 1.00 41.34 O ATOM 0 H GLY A 92 -2.262 -15.793 -9.771 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.588 -15.098 -11.747 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.293 -14.513 -10.350 1.00 34.23 H new ATOM 1453 N TRP A 93 1.182 -16.976 -11.044 1.00 61.24 N ATOM 1454 CA TRP A 93 1.801 -18.288 -10.877 1.00 33.44 C ATOM 1455 C TRP A 93 3.329 -18.148 -10.831 1.00 44.25 C ATOM 1456 O TRP A 93 4.029 -18.530 -11.769 1.00 71.23 O ATOM 1457 CB TRP A 93 1.370 -19.223 -12.020 1.00 43.23 C ATOM 1458 CG TRP A 93 1.653 -20.672 -11.754 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.712 -21.406 -12.204 1.00 31.35 C ATOM 1460 CD2 TRP A 93 0.854 -21.561 -10.972 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.616 -22.699 -11.752 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.483 -22.818 -10.993 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.338 -21.411 -10.254 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 0.962 -23.921 -10.326 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.853 -22.506 -9.591 1.00 15.35 C ATOM 1466 CH2 TRP A 93 -0.204 -23.746 -9.631 1.00 55.20 C ATOM 0 H TRP A 93 1.684 -16.356 -11.680 1.00 61.24 H new ATOM 0 HA TRP A 93 1.469 -18.723 -9.934 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.302 -19.097 -12.197 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.882 -18.924 -12.935 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.509 -21.025 -12.825 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.280 -23.448 -11.949 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.844 -20.458 -10.220 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.459 -24.880 -10.355 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.772 -22.405 -9.032 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.633 -24.584 -9.101 1.00 55.20 H new ATOM 1477 N PRO A 94 3.864 -17.573 -9.732 1.00 44.24 N ATOM 1478 CA PRO A 94 5.308 -17.310 -9.589 1.00 44.31 C ATOM 1479 C PRO A 94 6.144 -18.593 -9.573 1.00 13.14 C ATOM 1480 O PRO A 94 7.323 -18.579 -9.921 1.00 65.31 O ATOM 1481 CB PRO A 94 5.421 -16.576 -8.239 1.00 70.01 C ATOM 1482 CG PRO A 94 4.038 -16.109 -7.928 1.00 24.04 C ATOM 1483 CD PRO A 94 3.112 -17.121 -8.546 1.00 52.13 C ATOM 0 HA PRO A 94 5.692 -16.734 -10.431 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.796 -17.240 -7.460 1.00 70.01 H new ATOM 0 HB3 PRO A 94 6.114 -15.737 -8.304 1.00 70.01 H new ATOM 0 HG2 PRO A 94 3.881 -16.042 -6.851 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.860 -15.115 -8.338 1.00 24.04 H new ATOM 0 HD2 PRO A 94 2.900 -17.944 -7.864 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.154 -16.679 -8.819 1.00 52.13 H new ATOM 1491 N LEU A 95 5.513 -19.701 -9.183 1.00 20.13 N ATOM 1492 CA LEU A 95 6.199 -20.991 -9.050 1.00 2.45 C ATOM 1493 C LEU A 95 6.835 -21.451 -10.366 1.00 23.05 C ATOM 1494 O LEU A 95 7.674 -22.355 -10.366 1.00 42.11 O ATOM 1495 CB LEU A 95 5.225 -22.070 -8.530 1.00 12.24 C ATOM 1496 CG LEU A 95 5.169 -22.235 -7.001 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.759 -20.934 -6.315 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.222 -23.373 -6.621 1.00 44.11 C ATOM 0 H LEU A 95 4.520 -19.733 -8.952 1.00 20.13 H new ATOM 0 HA LEU A 95 7.004 -20.850 -8.329 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.223 -21.833 -8.889 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.503 -23.027 -8.971 1.00 12.24 H new ATOM 0 HG LEU A 95 6.171 -22.488 -6.653 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.729 -21.085 -5.236 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.482 -20.154 -6.552 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.772 -20.633 -6.666 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.194 -23.476 -5.536 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.221 -23.152 -6.990 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.575 -24.304 -7.065 1.00 44.11 H new ATOM 1510 N ASP A 96 6.436 -20.844 -11.481 1.00 4.21 N ATOM 1511 CA ASP A 96 6.983 -21.220 -12.785 1.00 41.33 C ATOM 1512 C ASP A 96 8.376 -20.620 -12.989 1.00 64.42 C ATOM 1513 O ASP A 96 9.206 -21.197 -13.695 1.00 63.40 O ATOM 1514 CB ASP A 96 6.045 -20.790 -13.918 1.00 13.44 C ATOM 1515 CG ASP A 96 6.492 -21.307 -15.278 1.00 10.32 C ATOM 1516 OD1 ASP A 96 6.610 -22.543 -15.444 1.00 32.34 O ATOM 1517 OD2 ASP A 96 6.694 -20.489 -16.197 1.00 52.41 O ATOM 0 H ASP A 96 5.743 -20.096 -11.510 1.00 4.21 H new ATOM 0 HA ASP A 96 7.071 -22.306 -12.807 1.00 41.33 H new ATOM 0 HB2 ASP A 96 5.039 -21.153 -13.709 1.00 13.44 H new ATOM 0 HB3 ASP A 96 5.992 -19.702 -13.947 1.00 13.44 H new ATOM 1522 N ASP A 97 8.635 -19.476 -12.353 1.00 25.14 N ATOM 1523 CA ASP A 97 9.940 -18.812 -12.449 1.00 42.42 C ATOM 1524 C ASP A 97 10.536 -18.573 -11.063 1.00 63.11 C ATOM 1525 O ASP A 97 10.296 -17.536 -10.443 1.00 10.23 O ATOM 1526 CB ASP A 97 9.846 -17.470 -13.189 1.00 35.12 C ATOM 1527 CG ASP A 97 9.530 -17.614 -14.669 1.00 13.01 C ATOM 1528 OD1 ASP A 97 10.400 -18.110 -15.419 1.00 25.30 O ATOM 1529 OD2 ASP A 97 8.424 -17.214 -15.095 1.00 24.13 O ATOM 0 H ASP A 97 7.959 -18.988 -11.765 1.00 25.14 H new ATOM 0 HA ASP A 97 10.588 -19.480 -13.016 1.00 42.42 H new ATOM 0 HB2 ASP A 97 9.076 -16.858 -12.719 1.00 35.12 H new ATOM 0 HB3 ASP A 97 10.790 -16.936 -13.077 1.00 35.12 H new ATOM 1534 N PRO A 98 11.308 -19.543 -10.551 1.00 61.44 N ATOM 1535 CA PRO A 98 12.008 -19.399 -9.279 1.00 22.22 C ATOM 1536 C PRO A 98 13.287 -18.572 -9.440 1.00 64.45 C ATOM 1537 O PRO A 98 14.066 -18.802 -10.368 1.00 40.33 O ATOM 1538 CB PRO A 98 12.321 -20.846 -8.888 1.00 75.31 C ATOM 1539 CG PRO A 98 12.435 -21.578 -10.188 1.00 75.22 C ATOM 1540 CD PRO A 98 11.552 -20.852 -11.178 1.00 2.44 C ATOM 0 HA PRO A 98 11.423 -18.873 -8.525 1.00 22.22 H new ATOM 0 HB2 PRO A 98 13.247 -20.910 -8.316 1.00 75.31 H new ATOM 0 HB3 PRO A 98 11.532 -21.267 -8.265 1.00 75.31 H new ATOM 0 HG2 PRO A 98 13.469 -21.595 -10.532 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.119 -22.615 -10.076 1.00 75.22 H new ATOM 0 HD2 PRO A 98 12.042 -20.745 -12.146 1.00 2.44 H new ATOM 0 HD3 PRO A 98 10.620 -21.391 -11.351 1.00 2.44 H new ATOM 1548 N ARG A 99 13.495 -17.614 -8.537 1.00 2.21 N ATOM 1549 CA ARG A 99 14.674 -16.747 -8.596 1.00 74.20 C ATOM 1550 C ARG A 99 15.948 -17.549 -8.340 1.00 12.43 C ATOM 1551 O ARG A 99 17.040 -17.150 -8.748 1.00 11.52 O ATOM 1552 CB ARG A 99 14.558 -15.590 -7.593 1.00 55.11 C ATOM 1553 CG ARG A 99 13.587 -14.485 -8.018 1.00 55.34 C ATOM 1554 CD ARG A 99 14.113 -13.654 -9.191 1.00 0.14 C ATOM 1555 NE ARG A 99 14.154 -14.403 -10.454 1.00 74.25 N ATOM 1556 CZ ARG A 99 14.584 -13.894 -11.611 1.00 14.31 C ATOM 1557 NH1 ARG A 99 14.998 -12.633 -11.676 1.00 71.15 N ATOM 1558 NH2 ARG A 99 14.607 -14.652 -12.702 1.00 34.22 N ATOM 0 H ARG A 99 12.866 -17.418 -7.758 1.00 2.21 H new ATOM 0 HA ARG A 99 14.728 -16.323 -9.599 1.00 74.20 H new ATOM 0 HB2 ARG A 99 14.238 -15.989 -6.631 1.00 55.11 H new ATOM 0 HB3 ARG A 99 15.545 -15.153 -7.444 1.00 55.11 H new ATOM 0 HG2 ARG A 99 12.632 -14.933 -8.295 1.00 55.34 H new ATOM 0 HG3 ARG A 99 13.397 -13.828 -7.169 1.00 55.34 H new ATOM 0 HD2 ARG A 99 13.482 -12.774 -9.317 1.00 0.14 H new ATOM 0 HD3 ARG A 99 15.115 -13.296 -8.955 1.00 0.14 H new ATOM 0 HE ARG A 99 13.834 -15.372 -10.447 1.00 74.25 H new ATOM 0 HH11 ARG A 99 14.988 -12.049 -10.840 1.00 71.15 H new ATOM 0 HH12 ARG A 99 15.326 -12.249 -12.562 1.00 71.15 H new ATOM 0 HH21 ARG A 99 14.296 -15.622 -12.655 1.00 34.22 H new ATOM 0 HH22 ARG A 99 14.935 -14.264 -13.586 1.00 34.22 H new ATOM 1572 N ASP A 100 15.790 -18.674 -7.659 1.00 34.03 N ATOM 1573 CA ASP A 100 16.879 -19.618 -7.435 1.00 4.54 C ATOM 1574 C ASP A 100 16.307 -21.028 -7.481 1.00 5.05 C ATOM 1575 O ASP A 100 15.640 -21.468 -6.540 1.00 4.23 O ATOM 1576 CB ASP A 100 17.557 -19.352 -6.083 1.00 74.24 C ATOM 1577 CG ASP A 100 18.851 -20.136 -5.910 1.00 41.42 C ATOM 1578 OD1 ASP A 100 18.793 -21.330 -5.549 1.00 64.40 O ATOM 1579 OD2 ASP A 100 19.936 -19.557 -6.139 1.00 53.41 O ATOM 0 H ASP A 100 14.903 -18.960 -7.245 1.00 34.03 H new ATOM 0 HA ASP A 100 17.636 -19.500 -8.210 1.00 4.54 H new ATOM 0 HB2 ASP A 100 17.767 -18.287 -5.990 1.00 74.24 H new ATOM 0 HB3 ASP A 100 16.869 -19.612 -5.279 1.00 74.24 H new ATOM 1584 N GLY A 101 16.525 -21.720 -8.594 1.00 74.34 N ATOM 1585 CA GLY A 101 15.900 -23.015 -8.791 1.00 25.12 C ATOM 1586 C GLY A 101 16.811 -24.021 -9.457 1.00 52.40 C ATOM 1587 O GLY A 101 16.434 -24.646 -10.451 1.00 71.02 O ATOM 0 H GLY A 101 17.121 -21.409 -9.361 1.00 74.34 H new ATOM 0 HA2 GLY A 101 15.580 -23.407 -7.826 1.00 25.12 H new ATOM 0 HA3 GLY A 101 15.003 -22.890 -9.397 1.00 25.12 H new ATOM 1591 N GLU A 102 18.013 -24.179 -8.922 1.00 61.22 N ATOM 1592 CA GLU A 102 18.915 -25.223 -9.388 1.00 32.33 C ATOM 1593 C GLU A 102 18.493 -26.558 -8.802 1.00 51.53 C ATOM 1594 O GLU A 102 18.803 -26.889 -7.658 1.00 60.02 O ATOM 1595 CB GLU A 102 20.364 -24.922 -9.016 1.00 34.42 C ATOM 1596 CG GLU A 102 21.059 -23.931 -9.944 1.00 13.32 C ATOM 1597 CD GLU A 102 20.309 -22.620 -10.096 1.00 54.40 C ATOM 1598 OE1 GLU A 102 20.525 -21.709 -9.273 1.00 2.40 O ATOM 1599 OE2 GLU A 102 19.505 -22.489 -11.047 1.00 20.04 O ATOM 0 H GLU A 102 18.385 -23.601 -8.169 1.00 61.22 H new ATOM 0 HA GLU A 102 18.855 -25.263 -10.476 1.00 32.33 H new ATOM 0 HB2 GLU A 102 20.392 -24.530 -7.999 1.00 34.42 H new ATOM 0 HB3 GLU A 102 20.927 -25.855 -9.013 1.00 34.42 H new ATOM 0 HG2 GLU A 102 22.059 -23.727 -9.562 1.00 13.32 H new ATOM 0 HG3 GLU A 102 21.180 -24.388 -10.926 1.00 13.32 H new ATOM 1606 N GLU A 103 17.745 -27.285 -9.598 1.00 70.30 N ATOM 1607 CA GLU A 103 17.235 -28.592 -9.217 1.00 12.44 C ATOM 1608 C GLU A 103 18.380 -29.609 -9.221 1.00 42.42 C ATOM 1609 O GLU A 103 19.156 -29.666 -10.177 1.00 71.41 O ATOM 1610 CB GLU A 103 16.111 -29.010 -10.178 1.00 24.55 C ATOM 1611 CG GLU A 103 15.411 -30.309 -9.797 1.00 24.21 C ATOM 1612 CD GLU A 103 14.183 -30.583 -10.651 1.00 42.24 C ATOM 1613 OE1 GLU A 103 14.341 -31.005 -11.811 1.00 42.02 O ATOM 1614 OE2 GLU A 103 13.050 -30.364 -10.166 1.00 25.23 O ATOM 0 H GLU A 103 17.469 -26.990 -10.534 1.00 70.30 H new ATOM 0 HA GLU A 103 16.820 -28.550 -8.210 1.00 12.44 H new ATOM 0 HB2 GLU A 103 15.371 -28.211 -10.222 1.00 24.55 H new ATOM 0 HB3 GLU A 103 16.526 -29.115 -11.180 1.00 24.55 H new ATOM 0 HG2 GLU A 103 16.111 -31.138 -9.898 1.00 24.21 H new ATOM 0 HG3 GLU A 103 15.117 -30.265 -8.748 1.00 24.21 H new ATOM 1621 N PRO A 104 18.510 -30.408 -8.146 1.00 15.24 N ATOM 1622 CA PRO A 104 19.612 -31.370 -7.996 1.00 63.11 C ATOM 1623 C PRO A 104 19.629 -32.423 -9.107 1.00 31.14 C ATOM 1624 O PRO A 104 18.621 -32.654 -9.783 1.00 73.41 O ATOM 1625 CB PRO A 104 19.342 -32.024 -6.626 1.00 43.14 C ATOM 1626 CG PRO A 104 17.896 -31.776 -6.360 1.00 23.44 C ATOM 1627 CD PRO A 104 17.592 -30.445 -6.990 1.00 13.25 C ATOM 0 HA PRO A 104 20.585 -30.882 -8.061 1.00 63.11 H new ATOM 0 HB2 PRO A 104 19.562 -33.091 -6.648 1.00 43.14 H new ATOM 0 HB3 PRO A 104 19.968 -31.585 -5.849 1.00 43.14 H new ATOM 0 HG2 PRO A 104 17.278 -32.564 -6.790 1.00 23.44 H new ATOM 0 HG3 PRO A 104 17.692 -31.759 -5.289 1.00 23.44 H new ATOM 0 HD2 PRO A 104 16.549 -30.374 -7.300 1.00 13.25 H new ATOM 0 HD3 PRO A 104 17.777 -29.621 -6.301 1.00 13.25 H new ATOM 1635 N ASP A 105 20.787 -33.045 -9.292 1.00 4.41 N ATOM 1636 CA ASP A 105 20.961 -34.095 -10.290 1.00 54.35 C ATOM 1637 C ASP A 105 22.107 -35.008 -9.877 1.00 44.21 C ATOM 1638 O ASP A 105 23.279 -34.633 -9.973 1.00 12.41 O ATOM 1639 CB ASP A 105 21.238 -33.497 -11.678 1.00 3.32 C ATOM 1640 CG ASP A 105 21.357 -34.560 -12.768 1.00 1.22 C ATOM 1641 OD1 ASP A 105 22.450 -35.141 -12.929 1.00 55.20 O ATOM 1642 OD2 ASP A 105 20.365 -34.802 -13.487 1.00 52.25 O ATOM 0 H ASP A 105 21.630 -32.837 -8.757 1.00 4.41 H new ATOM 0 HA ASP A 105 20.038 -34.672 -10.349 1.00 54.35 H new ATOM 0 HB2 ASP A 105 20.436 -32.806 -11.937 1.00 3.32 H new ATOM 0 HB3 ASP A 105 22.160 -32.916 -11.641 1.00 3.32 H new ATOM 1647 N GLY A 106 21.764 -36.185 -9.382 1.00 62.13 N ATOM 1648 CA GLY A 106 22.761 -37.166 -8.997 1.00 11.31 C ATOM 1649 C GLY A 106 22.332 -38.559 -9.390 1.00 65.20 C ATOM 1650 O GLY A 106 22.301 -39.473 -8.560 1.00 31.24 O ATOM 0 H GLY A 106 20.800 -36.484 -9.237 1.00 62.13 H new ATOM 0 HA2 GLY A 106 23.713 -36.928 -9.472 1.00 11.31 H new ATOM 0 HA3 GLY A 106 22.922 -37.122 -7.920 1.00 11.31 H new ATOM 1654 N GLU A 107 21.979 -38.719 -10.661 1.00 23.42 N ATOM 1655 CA GLU A 107 21.480 -39.987 -11.165 1.00 2.20 C ATOM 1656 C GLU A 107 22.622 -40.970 -11.404 1.00 40.21 C ATOM 1657 O GLU A 107 23.635 -40.629 -12.027 1.00 12.10 O ATOM 1658 CB GLU A 107 20.695 -39.780 -12.464 1.00 33.32 C ATOM 1659 CG GLU A 107 19.539 -38.795 -12.331 1.00 33.22 C ATOM 1660 CD GLU A 107 18.588 -38.855 -13.512 1.00 63.21 C ATOM 1661 OE1 GLU A 107 18.883 -38.242 -14.558 1.00 44.23 O ATOM 1662 OE2 GLU A 107 17.544 -39.534 -13.402 1.00 2.52 O ATOM 0 H GLU A 107 22.031 -37.980 -11.362 1.00 23.42 H new ATOM 0 HA GLU A 107 20.814 -40.405 -10.410 1.00 2.20 H new ATOM 0 HB2 GLU A 107 21.376 -39.425 -13.237 1.00 33.32 H new ATOM 0 HB3 GLU A 107 20.305 -40.741 -12.800 1.00 33.32 H new ATOM 0 HG2 GLU A 107 18.989 -39.007 -11.414 1.00 33.22 H new ATOM 0 HG3 GLU A 107 19.936 -37.784 -12.239 1.00 33.22 H new ATOM 1669 N SER A 108 22.454 -42.183 -10.899 1.00 21.32 N ATOM 1670 CA SER A 108 23.410 -43.254 -11.121 1.00 31.33 C ATOM 1671 C SER A 108 22.670 -44.575 -11.345 1.00 60.00 C ATOM 1672 O SER A 108 22.340 -45.288 -10.394 1.00 11.30 O ATOM 1673 CB SER A 108 24.382 -43.352 -9.935 1.00 12.23 C ATOM 1674 OG SER A 108 23.688 -43.345 -8.697 1.00 51.11 O ATOM 0 H SER A 108 21.654 -42.451 -10.326 1.00 21.32 H new ATOM 0 HA SER A 108 23.995 -43.036 -12.015 1.00 31.33 H new ATOM 0 HB2 SER A 108 24.971 -44.266 -10.019 1.00 12.23 H new ATOM 0 HB3 SER A 108 25.082 -42.517 -9.966 1.00 12.23 H new ATOM 0 HG SER A 108 22.956 -43.996 -8.729 1.00 51.11 H new ATOM 1680 N GLY A 109 22.348 -44.857 -12.607 1.00 11.40 N ATOM 1681 CA GLY A 109 21.698 -46.107 -12.961 1.00 74.12 C ATOM 1682 C GLY A 109 22.713 -47.199 -13.220 1.00 72.41 C ATOM 1683 O GLY A 109 23.111 -47.913 -12.295 1.00 14.04 O ATOM 0 H GLY A 109 22.528 -44.235 -13.395 1.00 11.40 H new ATOM 0 HA2 GLY A 109 21.029 -46.412 -12.156 1.00 74.12 H new ATOM 0 HA3 GLY A 109 21.083 -45.961 -13.849 1.00 74.12 H new ATOM 1687 N GLY A 110 23.141 -47.322 -14.474 1.00 13.43 N ATOM 1688 CA GLY A 110 24.207 -48.245 -14.818 1.00 33.40 C ATOM 1689 C GLY A 110 23.761 -49.341 -15.766 1.00 63.40 C ATOM 1690 O GLY A 110 23.136 -50.314 -15.336 1.00 25.54 O ATOM 0 H GLY A 110 22.765 -46.795 -15.262 1.00 13.43 H new ATOM 0 HA2 GLY A 110 25.027 -47.690 -15.274 1.00 33.40 H new ATOM 0 HA3 GLY A 110 24.596 -48.698 -13.906 1.00 33.40 H new ATOM 1694 N PRO A 111 24.037 -49.195 -17.076 1.00 53.01 N ATOM 1695 CA PRO A 111 23.845 -50.277 -18.048 1.00 61.42 C ATOM 1696 C PRO A 111 25.004 -51.274 -17.983 1.00 45.21 C ATOM 1697 O PRO A 111 25.864 -51.173 -17.102 1.00 22.42 O ATOM 1698 CB PRO A 111 23.824 -49.535 -19.387 1.00 10.14 C ATOM 1699 CG PRO A 111 24.697 -48.343 -19.172 1.00 0.34 C ATOM 1700 CD PRO A 111 24.542 -47.961 -17.717 1.00 40.33 C ATOM 0 HA PRO A 111 22.944 -50.865 -17.873 1.00 61.42 H new ATOM 0 HB2 PRO A 111 24.202 -50.163 -20.194 1.00 10.14 H new ATOM 0 HB3 PRO A 111 22.811 -49.240 -19.661 1.00 10.14 H new ATOM 0 HG2 PRO A 111 25.736 -48.575 -19.405 1.00 0.34 H new ATOM 0 HG3 PRO A 111 24.400 -47.521 -19.824 1.00 0.34 H new ATOM 0 HD2 PRO A 111 25.491 -47.646 -17.284 1.00 40.33 H new ATOM 0 HD3 PRO A 111 23.844 -47.133 -17.594 1.00 40.33 H new ATOM 1708 N ARG A 112 25.043 -52.228 -18.908 1.00 2.23 N ATOM 1709 CA ARG A 112 26.106 -53.229 -18.923 1.00 23.43 C ATOM 1710 C ARG A 112 26.434 -53.656 -20.354 1.00 64.04 C ATOM 1711 O ARG A 112 25.532 -53.620 -21.213 1.00 53.13 O ATOM 1712 CB ARG A 112 25.738 -54.439 -18.030 1.00 24.42 C ATOM 1713 CG ARG A 112 24.349 -55.046 -18.274 1.00 72.30 C ATOM 1714 CD ARG A 112 24.295 -55.912 -19.527 1.00 52.41 C ATOM 1715 NE ARG A 112 22.992 -56.557 -19.699 1.00 62.15 N ATOM 1716 CZ ARG A 112 22.526 -57.002 -20.867 1.00 31.24 C ATOM 1717 NH1 ARG A 112 23.234 -56.843 -21.979 1.00 32.13 N ATOM 1718 NH2 ARG A 112 21.349 -57.610 -20.920 1.00 30.31 N ATOM 1719 OXT ARG A 112 27.597 -54.036 -20.612 1.00 0.00 O ATOM 0 H ARG A 112 24.355 -52.330 -19.654 1.00 2.23 H new ATOM 0 HA ARG A 112 27.006 -52.779 -18.505 1.00 23.43 H new ATOM 0 HB2 ARG A 112 26.486 -55.218 -18.178 1.00 24.42 H new ATOM 0 HB3 ARG A 112 25.802 -54.130 -16.987 1.00 24.42 H new ATOM 0 HG2 ARG A 112 24.063 -55.646 -17.410 1.00 72.30 H new ATOM 0 HG3 ARG A 112 23.617 -54.243 -18.361 1.00 72.30 H new ATOM 0 HD2 ARG A 112 24.512 -55.298 -20.401 1.00 52.41 H new ATOM 0 HD3 ARG A 112 25.072 -56.675 -19.473 1.00 52.41 H new ATOM 0 HE ARG A 112 22.404 -56.673 -18.874 1.00 62.15 H new ATOM 0 HH11 ARG A 112 24.141 -56.378 -21.944 1.00 32.13 H new ATOM 0 HH12 ARG A 112 22.871 -57.186 -22.868 1.00 32.13 H new ATOM 0 HH21 ARG A 112 20.802 -57.737 -20.069 1.00 30.31 H new ATOM 0 HH22 ARG A 112 20.991 -57.951 -21.812 1.00 30.31 H new TER 1733 ARG A 112