USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 29 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.6) USER MOD Set 1.2: A 50 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot -120:sc= -0.668 USER MOD Set 2.2: A 55 GLN :FLIP amide:sc= -0.612 F(o=-2.1,f=-1.3) USER MOD Set 3.1: A 27 ASN : amide:sc= -0.13 K(o=-0.12,f=-2.9!) USER MOD Set 3.2: A 30 CYS SG : rot -170:sc= 0.0126 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.277 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-4.7!) USER MOD Single : A 10 HIS : no HD1:sc=-0.000932 K(o=-0.00093,f=-0.59) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 1.13 K(o=1.1,f=-0.28) USER MOD Single : A 23 THR OG1 : rot 95:sc= 1.28 USER MOD Single : A 24 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-2.2) USER MOD Single : A 34 ASN : amide:sc= -0.0703 X(o=-0.07,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.3) USER MOD Single : A 40 TYR OH : rot -110:sc= 0.213 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 87:sc= -1.68 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.46 K(o=-3.5,f=-11!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -0.683 (180deg=-0.93) USER MOD Single : A 74 SER OG : rot -80:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.078) USER MOD Single : A 83 GLN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 88 TYR OH : rot -30:sc= -0.782 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.346 16.722 21.198 1.00 0.00 N ATOM 2 CA GLY A 1 -14.349 16.587 22.296 1.00 0.00 C ATOM 3 C GLY A 1 -13.433 17.790 22.399 1.00 0.00 C ATOM 4 O GLY A 1 -13.498 18.546 23.369 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.948 15.874 21.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.937 17.561 21.367 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.850 16.825 20.290 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.872 16.450 23.243 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.750 15.691 22.131 1.00 0.00 H new ATOM 10 N SER A 2 -12.579 17.969 21.397 1.00 0.00 N ATOM 11 CA SER A 2 -11.646 19.089 21.379 1.00 0.00 C ATOM 12 C SER A 2 -11.333 19.514 19.948 1.00 0.00 C ATOM 13 O SER A 2 -11.533 20.670 19.575 1.00 0.00 O ATOM 14 CB SER A 2 -10.353 18.716 22.106 1.00 0.00 C ATOM 15 OG SER A 2 -10.499 18.850 23.509 1.00 0.00 O ATOM 0 H SER A 2 -12.514 17.353 20.587 1.00 0.00 H new ATOM 0 HA SER A 2 -12.115 19.927 21.894 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.078 17.690 21.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.540 19.354 21.759 1.00 0.00 H new ATOM 0 HG SER A 2 -11.451 18.849 23.740 1.00 0.00 H new ATOM 21 N SER A 3 -10.842 18.571 19.150 1.00 0.00 N ATOM 22 CA SER A 3 -10.502 18.847 17.759 1.00 0.00 C ATOM 23 C SER A 3 -11.559 18.280 16.817 1.00 0.00 C ATOM 24 O SER A 3 -12.108 18.997 15.980 1.00 0.00 O ATOM 25 CB SER A 3 -9.132 18.257 17.421 1.00 0.00 C ATOM 26 OG SER A 3 -8.782 18.519 16.072 1.00 0.00 O ATOM 0 H SER A 3 -10.671 17.609 19.443 1.00 0.00 H new ATOM 0 HA SER A 3 -10.467 19.928 17.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.377 18.679 18.084 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.143 17.181 17.595 1.00 0.00 H new ATOM 0 HG SER A 3 -7.902 18.133 15.882 1.00 0.00 H new ATOM 32 N GLY A 4 -11.840 16.989 16.959 1.00 0.00 N ATOM 33 CA GLY A 4 -12.831 16.348 16.114 1.00 0.00 C ATOM 34 C GLY A 4 -12.855 14.843 16.288 1.00 0.00 C ATOM 35 O GLY A 4 -12.279 14.311 17.237 1.00 0.00 O ATOM 0 H GLY A 4 -11.399 16.375 17.644 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.817 16.753 16.344 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.624 16.587 15.071 1.00 0.00 H new ATOM 39 N SER A 5 -13.527 14.154 15.370 1.00 0.00 N ATOM 40 CA SER A 5 -13.625 12.699 15.427 1.00 0.00 C ATOM 41 C SER A 5 -12.819 12.056 14.303 1.00 0.00 C ATOM 42 O SER A 5 -12.211 11.001 14.487 1.00 0.00 O ATOM 43 CB SER A 5 -15.088 12.263 15.336 1.00 0.00 C ATOM 44 OG SER A 5 -15.778 12.994 14.338 1.00 0.00 O ATOM 0 H SER A 5 -14.011 14.579 14.579 1.00 0.00 H new ATOM 0 HA SER A 5 -13.213 12.368 16.380 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.140 11.198 15.112 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.575 12.410 16.300 1.00 0.00 H new ATOM 0 HG SER A 5 -16.710 12.695 14.299 1.00 0.00 H new ATOM 50 N SER A 6 -12.818 12.697 13.139 1.00 0.00 N ATOM 51 CA SER A 6 -12.087 12.186 11.986 1.00 0.00 C ATOM 52 C SER A 6 -10.822 13.001 11.739 1.00 0.00 C ATOM 53 O SER A 6 -10.800 14.214 11.955 1.00 0.00 O ATOM 54 CB SER A 6 -12.975 12.212 10.740 1.00 0.00 C ATOM 55 OG SER A 6 -13.657 10.980 10.575 1.00 0.00 O ATOM 0 H SER A 6 -13.315 13.571 12.969 1.00 0.00 H new ATOM 0 HA SER A 6 -11.799 11.156 12.197 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.698 13.024 10.821 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.366 12.415 9.859 1.00 0.00 H new ATOM 0 HG SER A 6 -14.219 11.022 9.773 1.00 0.00 H new ATOM 61 N GLY A 7 -9.768 12.329 11.286 1.00 0.00 N ATOM 62 CA GLY A 7 -8.515 13.008 11.018 1.00 0.00 C ATOM 63 C GLY A 7 -7.869 12.548 9.725 1.00 0.00 C ATOM 64 O GLY A 7 -7.448 13.367 8.909 1.00 0.00 O ATOM 0 H GLY A 7 -9.760 11.326 11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.691 14.083 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.827 12.834 11.846 1.00 0.00 H new ATOM 68 N HIS A 8 -7.793 11.234 9.540 1.00 0.00 N ATOM 69 CA HIS A 8 -7.195 10.666 8.337 1.00 0.00 C ATOM 70 C HIS A 8 -8.117 9.622 7.711 1.00 0.00 C ATOM 71 O HIS A 8 -7.946 8.423 7.927 1.00 0.00 O ATOM 72 CB HIS A 8 -5.841 10.036 8.665 1.00 0.00 C ATOM 73 CG HIS A 8 -4.878 10.986 9.308 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.167 10.701 10.453 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.513 12.241 8.943 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.409 11.767 10.741 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.582 12.730 9.855 1.00 0.00 N ATOM 0 H HIS A 8 -8.138 10.543 10.207 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.049 11.472 7.618 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.997 9.185 9.328 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.398 9.648 7.748 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.886 12.776 8.082 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.743 11.830 11.588 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.128 13.643 9.841 1.00 0.00 H new ATOM 85 N PRO A 9 -9.111 10.067 6.924 1.00 0.00 N ATOM 86 CA PRO A 9 -10.062 9.165 6.265 1.00 0.00 C ATOM 87 C PRO A 9 -9.364 8.081 5.452 1.00 0.00 C ATOM 88 O PRO A 9 -9.900 6.988 5.265 1.00 0.00 O ATOM 89 CB PRO A 9 -10.858 10.093 5.345 1.00 0.00 C ATOM 90 CG PRO A 9 -10.744 11.440 5.971 1.00 0.00 C ATOM 91 CD PRO A 9 -9.386 11.483 6.613 1.00 0.00 C ATOM 0 HA PRO A 9 -10.678 8.628 6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.451 10.091 4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.899 9.778 5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.848 12.228 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.530 11.595 6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.636 11.900 5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.386 12.099 7.512 1.00 0.00 H new ATOM 99 N HIS A 10 -8.164 8.390 4.969 1.00 0.00 N ATOM 100 CA HIS A 10 -7.392 7.441 4.176 1.00 0.00 C ATOM 101 C HIS A 10 -6.679 6.432 5.070 1.00 0.00 C ATOM 102 O HIS A 10 -6.645 5.239 4.772 1.00 0.00 O ATOM 103 CB HIS A 10 -6.373 8.183 3.309 1.00 0.00 C ATOM 104 CG HIS A 10 -6.994 9.158 2.358 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.333 10.450 2.695 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.336 9.010 1.053 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.861 11.033 1.611 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.884 10.202 0.586 1.00 0.00 N ATOM 0 H HIS A 10 -7.706 9.290 5.113 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.083 6.898 3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.675 8.714 3.957 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.792 7.455 2.743 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.204 8.111 0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.221 12.051 1.580 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.231 10.393 -0.354 1.00 0.00 H new ATOM 116 N ILE A 11 -6.110 6.921 6.167 1.00 0.00 N ATOM 117 CA ILE A 11 -5.397 6.062 7.106 1.00 0.00 C ATOM 118 C ILE A 11 -6.368 5.230 7.935 1.00 0.00 C ATOM 119 O ILE A 11 -6.114 4.059 8.220 1.00 0.00 O ATOM 120 CB ILE A 11 -4.502 6.885 8.052 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.642 7.866 7.254 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.626 5.963 8.888 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.840 8.811 8.121 1.00 0.00 C ATOM 0 H ILE A 11 -6.129 7.907 6.428 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.769 5.397 6.513 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.141 7.457 8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.960 7.303 6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.286 8.449 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.999 6.559 9.551 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.257 5.302 9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.994 5.367 8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.254 9.477 7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.517 9.400 8.740 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.170 8.237 8.761 1.00 0.00 H new ATOM 135 N GLN A 12 -7.482 5.842 8.323 1.00 0.00 N ATOM 136 CA GLN A 12 -8.493 5.158 9.122 1.00 0.00 C ATOM 137 C GLN A 12 -9.071 3.966 8.364 1.00 0.00 C ATOM 138 O GLN A 12 -9.463 2.966 8.966 1.00 0.00 O ATOM 139 CB GLN A 12 -9.613 6.126 9.503 1.00 0.00 C ATOM 140 CG GLN A 12 -10.283 5.792 10.827 1.00 0.00 C ATOM 141 CD GLN A 12 -9.689 6.561 11.990 1.00 0.00 C ATOM 142 OE1 GLN A 12 -9.761 7.788 12.039 1.00 0.00 O ATOM 143 NE2 GLN A 12 -9.098 5.840 12.936 1.00 0.00 N ATOM 0 H GLN A 12 -7.708 6.811 8.097 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.015 4.791 10.030 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.206 7.136 9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.366 6.126 8.714 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.348 6.012 10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.190 4.723 11.018 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.061 4.824 12.855 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.681 6.302 13.744 1.00 0.00 H new ATOM 152 N LEU A 13 -9.121 4.080 7.041 1.00 0.00 N ATOM 153 CA LEU A 13 -9.653 3.013 6.201 1.00 0.00 C ATOM 154 C LEU A 13 -8.788 1.761 6.300 1.00 0.00 C ATOM 155 O LEU A 13 -9.286 0.640 6.185 1.00 0.00 O ATOM 156 CB LEU A 13 -9.736 3.475 4.745 1.00 0.00 C ATOM 157 CG LEU A 13 -10.954 4.335 4.406 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.748 5.057 3.084 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.212 3.481 4.359 1.00 0.00 C ATOM 0 H LEU A 13 -8.800 4.901 6.527 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.655 2.770 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.834 4.040 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.741 2.596 4.101 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.075 5.084 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.625 5.664 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.870 5.700 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.600 4.326 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.069 4.109 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.100 2.710 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.369 3.011 5.330 1.00 0.00 H new ATOM 171 N LEU A 14 -7.491 1.957 6.511 1.00 0.00 N ATOM 172 CA LEU A 14 -6.558 0.842 6.623 1.00 0.00 C ATOM 173 C LEU A 14 -6.582 0.248 8.028 1.00 0.00 C ATOM 174 O LEU A 14 -6.684 -0.967 8.197 1.00 0.00 O ATOM 175 CB LEU A 14 -5.140 1.300 6.275 1.00 0.00 C ATOM 176 CG LEU A 14 -4.967 1.848 4.857 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.599 2.493 4.698 1.00 0.00 C ATOM 178 CD2 LEU A 14 -5.158 0.741 3.832 1.00 0.00 C ATOM 0 H LEU A 14 -7.062 2.877 6.608 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.868 0.071 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.839 2.070 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.460 0.459 6.409 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.728 2.610 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.494 2.877 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.499 3.313 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.823 1.752 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.032 1.148 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.420 -0.043 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.160 0.323 3.930 1.00 0.00 H new ATOM 190 N LYS A 15 -6.488 1.112 9.033 1.00 0.00 N ATOM 191 CA LYS A 15 -6.500 0.672 10.424 1.00 0.00 C ATOM 192 C LYS A 15 -7.813 -0.027 10.764 1.00 0.00 C ATOM 193 O LYS A 15 -7.852 -0.914 11.616 1.00 0.00 O ATOM 194 CB LYS A 15 -6.285 1.862 11.360 1.00 0.00 C ATOM 195 CG LYS A 15 -5.046 2.679 11.033 1.00 0.00 C ATOM 196 CD LYS A 15 -4.898 3.867 11.969 1.00 0.00 C ATOM 197 CE LYS A 15 -3.454 4.333 12.053 1.00 0.00 C ATOM 198 NZ LYS A 15 -2.763 3.789 13.255 1.00 0.00 N ATOM 0 H LYS A 15 -6.403 2.121 8.911 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.685 -0.040 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.160 2.511 11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.210 1.498 12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.162 2.046 11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.103 3.031 10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.526 4.687 11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.252 3.595 12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.920 4.022 11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.425 5.422 12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.781 4.130 13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.258 4.106 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.767 2.750 13.217 1.00 0.00 H new ATOM 212 N SER A 16 -8.886 0.381 10.094 1.00 0.00 N ATOM 213 CA SER A 16 -10.201 -0.205 10.327 1.00 0.00 C ATOM 214 C SER A 16 -10.402 -1.452 9.472 1.00 0.00 C ATOM 215 O SER A 16 -10.874 -2.480 9.957 1.00 0.00 O ATOM 216 CB SER A 16 -11.298 0.816 10.023 1.00 0.00 C ATOM 217 OG SER A 16 -12.582 0.283 10.296 1.00 0.00 O ATOM 0 H SER A 16 -8.871 1.115 9.386 1.00 0.00 H new ATOM 0 HA SER A 16 -10.261 -0.493 11.377 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.139 1.714 10.621 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.240 1.115 8.977 1.00 0.00 H new ATOM 0 HG SER A 16 -13.265 0.956 10.095 1.00 0.00 H new ATOM 223 N ASN A 17 -10.041 -1.355 8.196 1.00 0.00 N ATOM 224 CA ASN A 17 -10.183 -2.476 7.275 1.00 0.00 C ATOM 225 C ASN A 17 -8.851 -3.193 7.076 1.00 0.00 C ATOM 226 O ASN A 17 -8.491 -3.556 5.956 1.00 0.00 O ATOM 227 CB ASN A 17 -10.722 -1.989 5.928 1.00 0.00 C ATOM 228 CG ASN A 17 -12.000 -1.187 6.072 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.096 -1.748 6.120 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.867 0.132 6.141 1.00 0.00 N ATOM 0 H ASN A 17 -9.648 -0.512 7.777 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.891 -3.183 7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.966 -1.377 5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.906 -2.847 5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.692 0.723 6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.939 0.554 6.097 1.00 0.00 H new ATOM 237 N ARG A 18 -8.125 -3.397 8.170 1.00 0.00 N ATOM 238 CA ARG A 18 -6.834 -4.073 8.113 1.00 0.00 C ATOM 239 C ARG A 18 -7.016 -5.580 7.975 1.00 0.00 C ATOM 240 O ARG A 18 -6.196 -6.261 7.360 1.00 0.00 O ATOM 241 CB ARG A 18 -6.013 -3.760 9.366 1.00 0.00 C ATOM 242 CG ARG A 18 -4.587 -4.281 9.303 1.00 0.00 C ATOM 243 CD ARG A 18 -3.878 -4.128 10.638 1.00 0.00 C ATOM 244 NE ARG A 18 -3.309 -2.792 10.805 1.00 0.00 N ATOM 245 CZ ARG A 18 -2.339 -2.501 11.670 1.00 0.00 C ATOM 246 NH1 ARG A 18 -1.827 -3.447 12.448 1.00 0.00 N ATOM 247 NH2 ARG A 18 -1.881 -1.261 11.757 1.00 0.00 N ATOM 0 H ARG A 18 -8.408 -3.105 9.105 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.299 -3.707 7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.991 -2.681 9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.511 -4.192 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.595 -5.332 9.013 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.035 -3.742 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.581 -4.326 11.447 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.085 -4.872 10.715 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.677 -2.038 10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.176 -4.403 12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.084 -3.218 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.271 -0.530 11.162 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.138 -1.037 12.419 1.00 0.00 H new ATOM 261 N GLU A 19 -8.098 -6.095 8.551 1.00 0.00 N ATOM 262 CA GLU A 19 -8.389 -7.523 8.490 1.00 0.00 C ATOM 263 C GLU A 19 -8.937 -7.909 7.120 1.00 0.00 C ATOM 264 O GLU A 19 -8.708 -9.018 6.638 1.00 0.00 O ATOM 265 CB GLU A 19 -9.392 -7.907 9.582 1.00 0.00 C ATOM 266 CG GLU A 19 -8.751 -8.583 10.783 1.00 0.00 C ATOM 267 CD GLU A 19 -8.465 -10.052 10.540 1.00 0.00 C ATOM 268 OE1 GLU A 19 -9.409 -10.865 10.634 1.00 0.00 O ATOM 269 OE2 GLU A 19 -7.297 -10.390 10.255 1.00 0.00 O ATOM 0 H GLU A 19 -8.787 -5.545 9.065 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.458 -8.066 8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.915 -7.011 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.142 -8.574 9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.821 -8.071 11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.409 -8.482 11.646 1.00 0.00 H new ATOM 276 N LEU A 20 -9.662 -6.985 6.496 1.00 0.00 N ATOM 277 CA LEU A 20 -10.242 -7.227 5.181 1.00 0.00 C ATOM 278 C LEU A 20 -9.179 -7.133 4.091 1.00 0.00 C ATOM 279 O LEU A 20 -9.249 -7.830 3.079 1.00 0.00 O ATOM 280 CB LEU A 20 -11.365 -6.225 4.903 1.00 0.00 C ATOM 281 CG LEU A 20 -12.068 -6.396 3.556 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.017 -7.585 3.597 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.816 -5.126 3.181 1.00 0.00 C ATOM 0 H LEU A 20 -9.861 -6.062 6.881 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.655 -8.236 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -12.108 -6.307 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.953 -5.217 4.955 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.312 -6.587 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.509 -7.692 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.455 -8.492 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.768 -7.424 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.310 -5.265 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.562 -4.904 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.112 -4.297 3.110 1.00 0.00 H new ATOM 295 N LEU A 21 -8.194 -6.267 4.306 1.00 0.00 N ATOM 296 CA LEU A 21 -7.115 -6.081 3.342 1.00 0.00 C ATOM 297 C LEU A 21 -6.189 -7.294 3.323 1.00 0.00 C ATOM 298 O LEU A 21 -5.680 -7.681 2.272 1.00 0.00 O ATOM 299 CB LEU A 21 -6.317 -4.819 3.675 1.00 0.00 C ATOM 300 CG LEU A 21 -7.043 -3.502 3.399 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.372 -2.357 4.142 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.082 -3.219 1.904 1.00 0.00 C ATOM 0 H LEU A 21 -8.121 -5.683 5.139 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.559 -5.970 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.041 -4.850 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.390 -4.832 3.102 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.068 -3.591 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.902 -1.428 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.395 -2.556 5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.337 -2.266 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.602 -2.278 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.064 -3.150 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.608 -4.027 1.394 1.00 0.00 H new ATOM 314 N VAL A 22 -5.976 -7.888 4.493 1.00 0.00 N ATOM 315 CA VAL A 22 -5.111 -9.054 4.611 1.00 0.00 C ATOM 316 C VAL A 22 -5.784 -10.297 4.034 1.00 0.00 C ATOM 317 O VAL A 22 -5.115 -11.202 3.536 1.00 0.00 O ATOM 318 CB VAL A 22 -4.728 -9.327 6.079 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.704 -10.447 6.166 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.200 -8.061 6.738 1.00 0.00 C ATOM 0 H VAL A 22 -6.391 -7.580 5.372 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.207 -8.835 4.043 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.623 -9.643 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.447 -10.624 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.122 -11.357 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.807 -10.164 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.935 -8.273 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.317 -7.713 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.969 -7.289 6.711 1.00 0.00 H new ATOM 330 N THR A 23 -7.111 -10.334 4.108 1.00 0.00 N ATOM 331 CA THR A 23 -7.873 -11.465 3.593 1.00 0.00 C ATOM 332 C THR A 23 -8.099 -11.332 2.090 1.00 0.00 C ATOM 333 O THR A 23 -8.199 -12.331 1.378 1.00 0.00 O ATOM 334 CB THR A 23 -9.218 -11.570 4.315 1.00 0.00 C ATOM 335 OG1 THR A 23 -9.038 -11.514 5.719 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.968 -12.845 3.998 1.00 0.00 C ATOM 0 H THR A 23 -7.680 -9.594 4.519 1.00 0.00 H new ATOM 0 HA THR A 23 -7.297 -12.372 3.776 1.00 0.00 H new ATOM 0 HB THR A 23 -9.806 -10.724 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.160 -10.592 6.028 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.913 -12.856 4.542 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.165 -12.894 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.367 -13.704 4.296 1.00 0.00 H new ATOM 344 N HIS A 24 -8.180 -10.095 1.614 1.00 0.00 N ATOM 345 CA HIS A 24 -8.396 -9.834 0.196 1.00 0.00 C ATOM 346 C HIS A 24 -7.068 -9.733 -0.549 1.00 0.00 C ATOM 347 O HIS A 24 -6.840 -10.443 -1.529 1.00 0.00 O ATOM 348 CB HIS A 24 -9.197 -8.544 0.009 1.00 0.00 C ATOM 349 CG HIS A 24 -10.674 -8.729 0.170 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.274 -9.943 0.418 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.680 -7.818 0.117 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.595 -9.740 0.503 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.894 -8.467 0.328 1.00 0.00 N ATOM 0 H HIS A 24 -8.099 -9.257 2.189 1.00 0.00 H new ATOM 0 HA HIS A 24 -8.962 -10.669 -0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.851 -7.803 0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.995 -8.141 -0.984 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.558 -6.760 -0.060 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.321 -10.517 0.690 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.823 -8.045 0.344 1.00 0.00 H new ATOM 361 N ILE A 25 -6.197 -8.847 -0.080 1.00 0.00 N ATOM 362 CA ILE A 25 -4.892 -8.655 -0.703 1.00 0.00 C ATOM 363 C ILE A 25 -4.018 -9.894 -0.540 1.00 0.00 C ATOM 364 O ILE A 25 -3.669 -10.277 0.577 1.00 0.00 O ATOM 365 CB ILE A 25 -4.157 -7.437 -0.108 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.062 -6.205 -0.129 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.869 -7.168 -0.873 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.411 -4.966 0.448 1.00 0.00 C ATOM 0 H ILE A 25 -6.370 -8.250 0.729 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.071 -8.477 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.902 -7.658 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.362 -6.002 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.971 -6.422 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.362 -6.305 -0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.219 -8.040 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.102 -6.965 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.111 -4.132 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.135 -5.150 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.517 -4.723 -0.127 1.00 0.00 H new ATOM 380 N ARG A 26 -3.667 -10.515 -1.661 1.00 0.00 N ATOM 381 CA ARG A 26 -2.832 -11.711 -1.643 1.00 0.00 C ATOM 382 C ARG A 26 -1.440 -11.411 -2.189 1.00 0.00 C ATOM 383 O ARG A 26 -0.448 -11.978 -1.734 1.00 0.00 O ATOM 384 CB ARG A 26 -3.486 -12.827 -2.462 1.00 0.00 C ATOM 385 CG ARG A 26 -3.350 -14.203 -1.832 1.00 0.00 C ATOM 386 CD ARG A 26 -4.149 -14.307 -0.544 1.00 0.00 C ATOM 387 NE ARG A 26 -3.583 -15.293 0.374 1.00 0.00 N ATOM 388 CZ ARG A 26 -3.857 -15.337 1.675 1.00 0.00 C ATOM 389 NH1 ARG A 26 -4.686 -14.453 2.217 1.00 0.00 N ATOM 390 NH2 ARG A 26 -3.299 -16.268 2.438 1.00 0.00 N ATOM 0 H ARG A 26 -3.947 -10.210 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.733 -12.040 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.544 -12.599 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.040 -12.846 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.692 -14.962 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.299 -14.408 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.179 -13.333 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.179 -14.578 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.940 -15.988 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.117 -13.735 1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.892 -14.492 3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.661 -16.949 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.508 -16.303 3.436 1.00 0.00 H new ATOM 404 N ASN A 27 -1.376 -10.514 -3.168 1.00 0.00 N ATOM 405 CA ASN A 27 -0.105 -10.137 -3.777 1.00 0.00 C ATOM 406 C ASN A 27 0.463 -8.884 -3.120 1.00 0.00 C ATOM 407 O ASN A 27 -0.072 -7.788 -3.285 1.00 0.00 O ATOM 408 CB ASN A 27 -0.283 -9.904 -5.279 1.00 0.00 C ATOM 409 CG ASN A 27 -0.613 -11.180 -6.026 1.00 0.00 C ATOM 410 OD1 ASN A 27 -1.200 -12.107 -5.469 1.00 0.00 O ATOM 411 ND2 ASN A 27 -0.235 -11.235 -7.298 1.00 0.00 N ATOM 0 H ASN A 27 -2.189 -10.035 -3.556 1.00 0.00 H new ATOM 0 HA ASN A 27 0.598 -10.956 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.078 -9.176 -5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.631 -9.473 -5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.429 -12.069 -7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.250 -10.443 -7.721 1.00 0.00 H new ATOM 418 N THR A 28 1.549 -9.053 -2.373 1.00 0.00 N ATOM 419 CA THR A 28 2.189 -7.935 -1.690 1.00 0.00 C ATOM 420 C THR A 28 3.358 -7.393 -2.506 1.00 0.00 C ATOM 421 O THR A 28 3.553 -6.182 -2.602 1.00 0.00 O ATOM 422 CB THR A 28 2.677 -8.368 -0.306 1.00 0.00 C ATOM 423 OG1 THR A 28 3.599 -9.438 -0.412 1.00 0.00 O ATOM 424 CG2 THR A 28 1.559 -8.813 0.610 1.00 0.00 C ATOM 0 H THR A 28 2.004 -9.954 -2.225 1.00 0.00 H new ATOM 0 HA THR A 28 1.450 -7.142 -1.577 1.00 0.00 H new ATOM 0 HB THR A 28 3.147 -7.484 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.254 -10.216 0.073 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.974 -9.107 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.856 -7.992 0.752 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.040 -9.662 0.165 1.00 0.00 H new ATOM 432 N GLN A 29 4.135 -8.301 -3.091 1.00 0.00 N ATOM 433 CA GLN A 29 5.289 -7.916 -3.898 1.00 0.00 C ATOM 434 C GLN A 29 4.880 -6.973 -5.026 1.00 0.00 C ATOM 435 O GLN A 29 5.667 -6.132 -5.460 1.00 0.00 O ATOM 436 CB GLN A 29 5.967 -9.158 -4.479 1.00 0.00 C ATOM 437 CG GLN A 29 7.381 -8.903 -4.977 1.00 0.00 C ATOM 438 CD GLN A 29 8.332 -8.522 -3.860 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.128 -8.887 -2.703 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.380 -7.782 -4.203 1.00 0.00 N ATOM 0 H GLN A 29 3.986 -9.308 -3.021 1.00 0.00 H new ATOM 0 HA GLN A 29 5.993 -7.393 -3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.994 -9.937 -3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.364 -9.539 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.753 -9.797 -5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.362 -8.107 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.510 -7.502 -5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.055 -7.494 -3.494 1.00 0.00 H new ATOM 449 N CYS A 30 3.646 -7.118 -5.497 1.00 0.00 N ATOM 450 CA CYS A 30 3.136 -6.280 -6.576 1.00 0.00 C ATOM 451 C CYS A 30 2.935 -4.843 -6.102 1.00 0.00 C ATOM 452 O CYS A 30 3.203 -3.893 -6.838 1.00 0.00 O ATOM 453 CB CYS A 30 1.817 -6.843 -7.108 1.00 0.00 C ATOM 454 SG CYS A 30 1.996 -8.373 -8.054 1.00 0.00 S ATOM 0 H CYS A 30 2.981 -7.808 -5.148 1.00 0.00 H new ATOM 0 HA CYS A 30 3.873 -6.278 -7.379 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.147 -7.024 -6.268 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.342 -6.092 -7.739 1.00 0.00 H new ATOM 0 HG CYS A 30 0.869 -8.658 -8.635 1.00 0.00 H new ATOM 460 N LEU A 31 2.460 -4.693 -4.870 1.00 0.00 N ATOM 461 CA LEU A 31 2.221 -3.372 -4.299 1.00 0.00 C ATOM 462 C LEU A 31 3.533 -2.708 -3.894 1.00 0.00 C ATOM 463 O LEU A 31 3.687 -1.492 -4.013 1.00 0.00 O ATOM 464 CB LEU A 31 1.294 -3.478 -3.087 1.00 0.00 C ATOM 465 CG LEU A 31 -0.200 -3.402 -3.405 1.00 0.00 C ATOM 466 CD1 LEU A 31 -1.020 -3.954 -2.249 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.606 -1.970 -3.714 1.00 0.00 C ATOM 0 H LEU A 31 2.233 -5.469 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 31 1.743 -2.756 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.494 -4.421 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.542 -2.679 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.397 -4.012 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.081 -3.892 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.748 -4.995 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.820 -3.371 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.672 -1.934 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.395 -1.338 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.042 -1.610 -4.574 1.00 0.00 H new ATOM 479 N VAL A 32 4.476 -3.512 -3.416 1.00 0.00 N ATOM 480 CA VAL A 32 5.775 -3.001 -2.994 1.00 0.00 C ATOM 481 C VAL A 32 6.617 -2.578 -4.192 1.00 0.00 C ATOM 482 O VAL A 32 7.403 -1.635 -4.109 1.00 0.00 O ATOM 483 CB VAL A 32 6.555 -4.051 -2.179 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.817 -3.440 -1.590 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.674 -4.639 -1.085 1.00 0.00 C ATOM 0 H VAL A 32 4.365 -4.521 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 32 5.582 -2.132 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 32 6.851 -4.859 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.355 -4.196 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.454 -3.073 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.548 -2.612 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.241 -5.379 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.346 -3.844 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.804 -5.116 -1.536 1.00 0.00 H new ATOM 495 N ASP A 33 6.446 -3.281 -5.308 1.00 0.00 N ATOM 496 CA ASP A 33 7.192 -2.976 -6.523 1.00 0.00 C ATOM 497 C ASP A 33 6.854 -1.580 -7.035 1.00 0.00 C ATOM 498 O ASP A 33 7.742 -0.754 -7.249 1.00 0.00 O ATOM 499 CB ASP A 33 6.893 -4.016 -7.605 1.00 0.00 C ATOM 500 CG ASP A 33 8.131 -4.412 -8.385 1.00 0.00 C ATOM 501 OD1 ASP A 33 9.091 -3.615 -8.420 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.141 -5.521 -8.960 1.00 0.00 O ATOM 0 H ASP A 33 5.798 -4.064 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 33 8.255 -3.007 -6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.459 -4.903 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.146 -3.617 -8.292 1.00 0.00 H new ATOM 507 N ASN A 34 5.566 -1.322 -7.230 1.00 0.00 N ATOM 508 CA ASN A 34 5.110 -0.024 -7.717 1.00 0.00 C ATOM 509 C ASN A 34 5.525 1.093 -6.763 1.00 0.00 C ATOM 510 O ASN A 34 6.033 2.129 -7.190 1.00 0.00 O ATOM 511 CB ASN A 34 3.590 -0.025 -7.890 1.00 0.00 C ATOM 512 CG ASN A 34 3.116 -1.116 -8.830 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.706 -1.338 -9.888 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.046 -1.802 -8.450 1.00 0.00 N ATOM 0 H ASN A 34 4.818 -1.994 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 34 5.578 0.157 -8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.116 -0.156 -6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.270 0.944 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.681 -2.547 -9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.588 -1.584 -7.565 1.00 0.00 H new ATOM 521 N LEU A 35 5.301 0.874 -5.471 1.00 0.00 N ATOM 522 CA LEU A 35 5.651 1.861 -4.457 1.00 0.00 C ATOM 523 C LEU A 35 7.147 2.160 -4.480 1.00 0.00 C ATOM 524 O LEU A 35 7.573 3.273 -4.173 1.00 0.00 O ATOM 525 CB LEU A 35 5.240 1.366 -3.069 1.00 0.00 C ATOM 526 CG LEU A 35 3.736 1.401 -2.788 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.424 0.699 -1.476 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.233 2.835 -2.760 1.00 0.00 C ATOM 0 H LEU A 35 4.879 0.022 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 35 5.112 2.781 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.593 0.342 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.749 1.971 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 35 3.222 0.873 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.350 0.733 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.750 -0.340 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.948 1.200 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.162 2.841 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.752 3.387 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.424 3.306 -3.724 1.00 0.00 H new ATOM 540 N LEU A 36 7.940 1.158 -4.846 1.00 0.00 N ATOM 541 CA LEU A 36 9.388 1.312 -4.909 1.00 0.00 C ATOM 542 C LEU A 36 9.799 2.099 -6.148 1.00 0.00 C ATOM 543 O LEU A 36 10.612 3.021 -6.070 1.00 0.00 O ATOM 544 CB LEU A 36 10.068 -0.058 -4.911 1.00 0.00 C ATOM 545 CG LEU A 36 10.043 -0.796 -3.571 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.161 -2.296 -3.785 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.161 -0.294 -2.668 1.00 0.00 C ATOM 0 H LEU A 36 7.603 0.230 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 36 9.707 1.867 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.587 -0.684 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.106 0.069 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 36 9.089 -0.595 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.141 -2.804 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.327 -2.643 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.099 -2.518 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.130 -0.829 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.123 -0.466 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.032 0.773 -2.488 1.00 0.00 H new ATOM 559 N LYS A 37 9.232 1.730 -7.293 1.00 0.00 N ATOM 560 CA LYS A 37 9.540 2.402 -8.550 1.00 0.00 C ATOM 561 C LYS A 37 9.096 3.862 -8.510 1.00 0.00 C ATOM 562 O LYS A 37 9.717 4.727 -9.125 1.00 0.00 O ATOM 563 CB LYS A 37 8.861 1.682 -9.717 1.00 0.00 C ATOM 564 CG LYS A 37 9.527 1.939 -11.059 1.00 0.00 C ATOM 565 CD LYS A 37 8.519 1.900 -12.196 1.00 0.00 C ATOM 566 CE LYS A 37 9.208 1.802 -13.548 1.00 0.00 C ATOM 567 NZ LYS A 37 9.253 3.117 -14.246 1.00 0.00 N ATOM 0 H LYS A 37 8.557 0.970 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 37 10.620 2.373 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.860 0.610 -9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.819 1.997 -9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.020 2.911 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.301 1.191 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.852 1.048 -12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.900 2.797 -12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.223 1.429 -13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.683 1.078 -14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.730 3.007 -15.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.284 3.462 -14.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.776 3.802 -13.663 1.00 0.00 H new ATOM 581 N ASN A 38 8.017 4.126 -7.781 1.00 0.00 N ATOM 582 CA ASN A 38 7.488 5.480 -7.659 1.00 0.00 C ATOM 583 C ASN A 38 8.236 6.276 -6.588 1.00 0.00 C ATOM 584 O ASN A 38 7.925 7.441 -6.342 1.00 0.00 O ATOM 585 CB ASN A 38 5.996 5.438 -7.327 1.00 0.00 C ATOM 586 CG ASN A 38 5.139 5.191 -8.553 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.313 6.024 -8.927 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.332 4.040 -9.188 1.00 0.00 N ATOM 0 H ASN A 38 7.491 3.420 -7.265 1.00 0.00 H new ATOM 0 HA ASN A 38 7.631 5.980 -8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.811 4.653 -6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.702 6.381 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.785 3.818 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.027 3.378 -8.844 1.00 0.00 H new ATOM 595 N ASP A 39 9.221 5.644 -5.952 1.00 0.00 N ATOM 596 CA ASP A 39 10.005 6.299 -4.910 1.00 0.00 C ATOM 597 C ASP A 39 9.131 6.652 -3.711 1.00 0.00 C ATOM 598 O ASP A 39 9.022 7.816 -3.326 1.00 0.00 O ATOM 599 CB ASP A 39 10.675 7.562 -5.461 1.00 0.00 C ATOM 600 CG ASP A 39 11.544 7.276 -6.669 1.00 0.00 C ATOM 601 OD1 ASP A 39 11.153 6.423 -7.495 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.617 7.904 -6.791 1.00 0.00 O ATOM 0 H ASP A 39 9.494 4.680 -6.141 1.00 0.00 H new ATOM 0 HA ASP A 39 10.777 5.603 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.908 8.288 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.283 8.018 -4.679 1.00 0.00 H new ATOM 607 N TYR A 40 8.508 5.635 -3.123 1.00 0.00 N ATOM 608 CA TYR A 40 7.642 5.834 -1.966 1.00 0.00 C ATOM 609 C TYR A 40 8.130 5.014 -0.775 1.00 0.00 C ATOM 610 O TYR A 40 8.157 5.498 0.356 1.00 0.00 O ATOM 611 CB TYR A 40 6.203 5.451 -2.307 1.00 0.00 C ATOM 612 CG TYR A 40 5.396 6.585 -2.899 1.00 0.00 C ATOM 613 CD1 TYR A 40 4.687 7.458 -2.085 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.346 6.783 -4.274 1.00 0.00 C ATOM 615 CE1 TYR A 40 3.949 8.496 -2.622 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.610 7.818 -4.819 1.00 0.00 C ATOM 617 CZ TYR A 40 3.914 8.671 -3.989 1.00 0.00 C ATOM 618 OH TYR A 40 3.181 9.704 -4.528 1.00 0.00 O ATOM 0 H TYR A 40 8.587 4.665 -3.429 1.00 0.00 H new ATOM 0 HA TYR A 40 7.675 6.890 -1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.215 4.619 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.707 5.097 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.713 7.324 -1.014 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.891 6.117 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.403 9.166 -1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.580 7.958 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 40 2.401 9.341 -4.997 1.00 0.00 H new ATOM 628 N PHE A 41 8.515 3.769 -1.040 1.00 0.00 N ATOM 629 CA PHE A 41 9.003 2.881 0.009 1.00 0.00 C ATOM 630 C PHE A 41 10.528 2.880 0.054 1.00 0.00 C ATOM 631 O PHE A 41 11.189 2.987 -0.979 1.00 0.00 O ATOM 632 CB PHE A 41 8.485 1.459 -0.217 1.00 0.00 C ATOM 633 CG PHE A 41 7.283 1.118 0.617 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.112 1.850 0.502 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.325 0.064 1.516 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.006 1.537 1.268 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.221 -0.252 2.285 1.00 0.00 C ATOM 638 CZ PHE A 41 5.060 0.486 2.161 1.00 0.00 C ATOM 0 H PHE A 41 8.498 3.353 -1.971 1.00 0.00 H new ATOM 0 HA PHE A 41 8.630 3.248 0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.233 1.336 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.283 0.751 0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.064 2.674 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.230 -0.517 1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.099 2.115 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.266 -1.075 2.982 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.196 0.241 2.762 1.00 0.00 H new ATOM 648 N SER A 42 11.079 2.760 1.256 1.00 0.00 N ATOM 649 CA SER A 42 12.527 2.744 1.435 1.00 0.00 C ATOM 650 C SER A 42 13.066 1.319 1.382 1.00 0.00 C ATOM 651 O SER A 42 12.304 0.354 1.424 1.00 0.00 O ATOM 652 CB SER A 42 12.904 3.396 2.766 1.00 0.00 C ATOM 653 OG SER A 42 12.163 4.586 2.980 1.00 0.00 O ATOM 0 H SER A 42 10.546 2.672 2.121 1.00 0.00 H new ATOM 0 HA SER A 42 12.975 3.313 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.719 2.697 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.970 3.621 2.775 1.00 0.00 H new ATOM 0 HG SER A 42 12.421 4.982 3.838 1.00 0.00 H new ATOM 659 N ALA A 43 14.387 1.194 1.289 1.00 0.00 N ATOM 660 CA ALA A 43 15.028 -0.113 1.230 1.00 0.00 C ATOM 661 C ALA A 43 14.921 -0.839 2.567 1.00 0.00 C ATOM 662 O ALA A 43 14.853 -2.067 2.615 1.00 0.00 O ATOM 663 CB ALA A 43 16.485 0.032 0.821 1.00 0.00 C ATOM 0 H ALA A 43 15.033 1.983 1.253 1.00 0.00 H new ATOM 0 HA ALA A 43 14.509 -0.710 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.951 -0.952 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.542 0.501 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.008 0.652 1.550 1.00 0.00 H new ATOM 669 N GLU A 44 14.907 -0.070 3.651 1.00 0.00 N ATOM 670 CA GLU A 44 14.808 -0.640 4.990 1.00 0.00 C ATOM 671 C GLU A 44 13.373 -1.048 5.305 1.00 0.00 C ATOM 672 O GLU A 44 13.136 -1.996 6.053 1.00 0.00 O ATOM 673 CB GLU A 44 15.306 0.364 6.032 1.00 0.00 C ATOM 674 CG GLU A 44 16.771 0.731 5.872 1.00 0.00 C ATOM 675 CD GLU A 44 16.983 1.869 4.891 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.358 2.934 5.075 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.774 1.694 3.941 1.00 0.00 O ATOM 0 H GLU A 44 14.963 0.948 3.629 1.00 0.00 H new ATOM 0 HA GLU A 44 15.435 -1.531 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.704 1.270 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.151 -0.052 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.180 1.012 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.326 -0.144 5.534 1.00 0.00 H new ATOM 684 N ASP A 45 12.417 -0.325 4.730 1.00 0.00 N ATOM 685 CA ASP A 45 11.004 -0.612 4.950 1.00 0.00 C ATOM 686 C ASP A 45 10.571 -1.851 4.172 1.00 0.00 C ATOM 687 O ASP A 45 9.908 -2.736 4.713 1.00 0.00 O ATOM 688 CB ASP A 45 10.148 0.587 4.539 1.00 0.00 C ATOM 689 CG ASP A 45 10.260 1.741 5.516 1.00 0.00 C ATOM 690 OD1 ASP A 45 11.366 2.307 5.642 1.00 0.00 O ATOM 691 OD2 ASP A 45 9.242 2.076 6.157 1.00 0.00 O ATOM 0 H ASP A 45 12.595 0.464 4.108 1.00 0.00 H new ATOM 0 HA ASP A 45 10.861 -0.805 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.451 0.923 3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.106 0.277 4.465 1.00 0.00 H new ATOM 696 N ALA A 46 10.951 -1.907 2.900 1.00 0.00 N ATOM 697 CA ALA A 46 10.602 -3.038 2.048 1.00 0.00 C ATOM 698 C ALA A 46 11.223 -4.330 2.566 1.00 0.00 C ATOM 699 O ALA A 46 10.667 -5.414 2.385 1.00 0.00 O ATOM 700 CB ALA A 46 11.045 -2.775 0.616 1.00 0.00 C ATOM 0 H ALA A 46 11.500 -1.183 2.437 1.00 0.00 H new ATOM 0 HA ALA A 46 9.518 -3.154 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.779 -3.627 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.549 -1.880 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.125 -2.630 0.590 1.00 0.00 H new ATOM 706 N GLU A 47 12.378 -4.209 3.213 1.00 0.00 N ATOM 707 CA GLU A 47 13.075 -5.368 3.758 1.00 0.00 C ATOM 708 C GLU A 47 12.254 -6.029 4.861 1.00 0.00 C ATOM 709 O GLU A 47 12.302 -7.246 5.040 1.00 0.00 O ATOM 710 CB GLU A 47 14.446 -4.958 4.298 1.00 0.00 C ATOM 711 CG GLU A 47 15.586 -5.216 3.326 1.00 0.00 C ATOM 712 CD GLU A 47 16.931 -4.785 3.877 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.170 -3.564 3.971 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.744 -5.671 4.215 1.00 0.00 O ATOM 0 H GLU A 47 12.851 -3.319 3.373 1.00 0.00 H new ATOM 0 HA GLU A 47 13.212 -6.090 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.426 -3.897 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.639 -5.500 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.620 -6.279 3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.392 -4.684 2.395 1.00 0.00 H new ATOM 721 N ILE A 48 11.504 -5.220 5.600 1.00 0.00 N ATOM 722 CA ILE A 48 10.674 -5.727 6.687 1.00 0.00 C ATOM 723 C ILE A 48 9.462 -6.480 6.147 1.00 0.00 C ATOM 724 O ILE A 48 8.978 -7.426 6.770 1.00 0.00 O ATOM 725 CB ILE A 48 10.192 -4.588 7.607 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.374 -3.723 8.047 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.466 -5.155 8.817 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.966 -2.367 8.580 1.00 0.00 C ATOM 0 H ILE A 48 11.453 -4.210 5.467 1.00 0.00 H new ATOM 0 HA ILE A 48 11.294 -6.411 7.266 1.00 0.00 H new ATOM 0 HB ILE A 48 9.495 -3.962 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.935 -4.253 8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.047 -3.584 7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.132 -4.338 9.457 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.603 -5.733 8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.142 -5.801 9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.855 -1.809 8.873 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.431 -1.817 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.317 -2.497 9.446 1.00 0.00 H new ATOM 740 N VAL A 49 8.976 -6.055 4.986 1.00 0.00 N ATOM 741 CA VAL A 49 7.821 -6.691 4.363 1.00 0.00 C ATOM 742 C VAL A 49 8.179 -8.078 3.837 1.00 0.00 C ATOM 743 O VAL A 49 7.501 -9.060 4.140 1.00 0.00 O ATOM 744 CB VAL A 49 7.268 -5.841 3.203 1.00 0.00 C ATOM 745 CG1 VAL A 49 5.980 -6.445 2.663 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.043 -4.405 3.653 1.00 0.00 C ATOM 0 H VAL A 49 9.364 -5.273 4.458 1.00 0.00 H new ATOM 0 HA VAL A 49 7.054 -6.782 5.133 1.00 0.00 H new ATOM 0 HB VAL A 49 8.004 -5.835 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.605 -5.830 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.176 -7.454 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.235 -6.484 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.652 -3.820 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.327 -4.389 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.988 -3.976 3.986 1.00 0.00 H new ATOM 756 N CYS A 50 9.247 -8.150 3.051 1.00 0.00 N ATOM 757 CA CYS A 50 9.695 -9.417 2.486 1.00 0.00 C ATOM 758 C CYS A 50 10.171 -10.363 3.583 1.00 0.00 C ATOM 759 O CYS A 50 10.046 -11.582 3.465 1.00 0.00 O ATOM 760 CB CYS A 50 10.821 -9.179 1.478 1.00 0.00 C ATOM 761 SG CYS A 50 10.332 -8.192 0.045 1.00 0.00 S ATOM 0 H CYS A 50 9.818 -7.346 2.791 1.00 0.00 H new ATOM 0 HA CYS A 50 8.850 -9.878 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.648 -8.681 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.194 -10.143 1.132 1.00 0.00 H new ATOM 0 HG CYS A 50 11.351 -8.044 -0.748 1.00 0.00 H new ATOM 767 N ALA A 51 10.718 -9.792 4.651 1.00 0.00 N ATOM 768 CA ALA A 51 11.214 -10.582 5.772 1.00 0.00 C ATOM 769 C ALA A 51 10.102 -11.424 6.394 1.00 0.00 C ATOM 770 O ALA A 51 10.370 -12.414 7.073 1.00 0.00 O ATOM 771 CB ALA A 51 11.839 -9.673 6.820 1.00 0.00 C ATOM 0 H ALA A 51 10.829 -8.784 4.764 1.00 0.00 H new ATOM 0 HA ALA A 51 11.976 -11.263 5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.205 -10.275 7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.669 -9.123 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.091 -8.969 7.184 1.00 0.00 H new ATOM 777 N CYS A 52 8.855 -11.025 6.159 1.00 0.00 N ATOM 778 CA CYS A 52 7.706 -11.746 6.700 1.00 0.00 C ATOM 779 C CYS A 52 7.754 -13.223 6.308 1.00 0.00 C ATOM 780 O CYS A 52 8.083 -13.560 5.170 1.00 0.00 O ATOM 781 CB CYS A 52 6.404 -11.117 6.201 1.00 0.00 C ATOM 782 SG CYS A 52 6.119 -9.436 6.803 1.00 0.00 S ATOM 0 H CYS A 52 8.614 -10.208 5.598 1.00 0.00 H new ATOM 0 HA CYS A 52 7.744 -11.676 7.787 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.413 -11.105 5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.568 -11.747 6.505 1.00 0.00 H new ATOM 0 HG CYS A 52 6.692 -8.586 6.004 1.00 0.00 H new ATOM 788 N PRO A 53 7.427 -14.128 7.249 1.00 0.00 N ATOM 789 CA PRO A 53 7.437 -15.568 6.993 1.00 0.00 C ATOM 790 C PRO A 53 6.216 -16.028 6.204 1.00 0.00 C ATOM 791 O PRO A 53 6.289 -16.983 5.430 1.00 0.00 O ATOM 792 CB PRO A 53 7.422 -16.168 8.398 1.00 0.00 C ATOM 793 CG PRO A 53 6.695 -15.164 9.223 1.00 0.00 C ATOM 794 CD PRO A 53 7.025 -13.817 8.635 1.00 0.00 C ATOM 0 HA PRO A 53 8.292 -15.872 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.917 -17.134 8.412 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.433 -16.331 8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.621 -15.346 9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.005 -15.220 10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.165 -13.147 8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.829 -13.326 9.184 1.00 0.00 H new ATOM 802 N THR A 54 5.094 -15.347 6.408 1.00 0.00 N ATOM 803 CA THR A 54 3.856 -15.689 5.716 1.00 0.00 C ATOM 804 C THR A 54 3.319 -14.495 4.933 1.00 0.00 C ATOM 805 O THR A 54 3.901 -13.412 4.956 1.00 0.00 O ATOM 806 CB THR A 54 2.806 -16.170 6.719 1.00 0.00 C ATOM 807 OG1 THR A 54 2.444 -15.127 7.606 1.00 0.00 O ATOM 808 CG2 THR A 54 3.269 -17.343 7.555 1.00 0.00 C ATOM 0 H THR A 54 5.016 -14.555 7.046 1.00 0.00 H new ATOM 0 HA THR A 54 4.073 -16.492 5.011 1.00 0.00 H new ATOM 0 HB THR A 54 1.956 -16.488 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.770 -15.454 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.477 -17.633 8.245 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.508 -18.183 6.903 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.156 -17.059 8.121 1.00 0.00 H new ATOM 816 N GLN A 55 2.203 -14.704 4.241 1.00 0.00 N ATOM 817 CA GLN A 55 1.584 -13.648 3.449 1.00 0.00 C ATOM 818 C GLN A 55 0.834 -12.661 4.340 1.00 0.00 C ATOM 819 O GLN A 55 1.032 -11.450 4.241 1.00 0.00 O ATOM 820 CB GLN A 55 0.631 -14.250 2.414 1.00 0.00 C ATOM 821 CG GLN A 55 0.753 -13.618 1.036 1.00 0.00 C ATOM 822 CD GLN A 55 2.057 -13.972 0.347 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.776 -12.957 -0.117 1.00 0.00 O flip ATOM 824 NE2 GLN A 55 2.413 -15.145 0.232 1.00 0.00 N flip ATOM 0 H GLN A 55 1.709 -15.596 4.213 1.00 0.00 H new ATOM 0 HA GLN A 55 2.376 -13.107 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.824 -15.320 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.394 -14.137 2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.082 -13.944 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.678 -12.535 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.829 -15.894 0.604 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.292 -15.368 -0.235 1.00 0.00 H new ATOM 833 N PRO A 56 -0.042 -13.166 5.228 1.00 0.00 N ATOM 834 CA PRO A 56 -0.821 -12.318 6.137 1.00 0.00 C ATOM 835 C PRO A 56 0.045 -11.293 6.861 1.00 0.00 C ATOM 836 O PRO A 56 -0.430 -10.226 7.250 1.00 0.00 O ATOM 837 CB PRO A 56 -1.413 -13.318 7.131 1.00 0.00 C ATOM 838 CG PRO A 56 -1.509 -14.593 6.368 1.00 0.00 C ATOM 839 CD PRO A 56 -0.343 -14.599 5.417 1.00 0.00 C ATOM 0 HA PRO A 56 -1.569 -11.730 5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.777 -13.428 8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.391 -12.993 7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.470 -15.452 7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.453 -14.653 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.510 -15.137 5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.597 -15.083 4.474 1.00 0.00 H new ATOM 847 N ASP A 57 1.321 -11.622 7.037 1.00 0.00 N ATOM 848 CA ASP A 57 2.255 -10.730 7.712 1.00 0.00 C ATOM 849 C ASP A 57 2.774 -9.663 6.753 1.00 0.00 C ATOM 850 O ASP A 57 3.004 -8.519 7.147 1.00 0.00 O ATOM 851 CB ASP A 57 3.425 -11.529 8.294 1.00 0.00 C ATOM 852 CG ASP A 57 3.412 -11.549 9.811 1.00 0.00 C ATOM 853 OD1 ASP A 57 2.341 -11.821 10.392 1.00 0.00 O ATOM 854 OD2 ASP A 57 4.475 -11.291 10.416 1.00 0.00 O ATOM 0 H ASP A 57 1.731 -12.501 6.721 1.00 0.00 H new ATOM 0 HA ASP A 57 1.726 -10.234 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.385 -12.552 7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.364 -11.098 7.947 1.00 0.00 H new ATOM 859 N LYS A 58 2.954 -10.044 5.493 1.00 0.00 N ATOM 860 CA LYS A 58 3.444 -9.121 4.475 1.00 0.00 C ATOM 861 C LYS A 58 2.457 -7.978 4.258 1.00 0.00 C ATOM 862 O LYS A 58 2.840 -6.808 4.249 1.00 0.00 O ATOM 863 CB LYS A 58 3.683 -9.861 3.158 1.00 0.00 C ATOM 864 CG LYS A 58 4.856 -10.826 3.208 1.00 0.00 C ATOM 865 CD LYS A 58 4.906 -11.710 1.971 1.00 0.00 C ATOM 866 CE LYS A 58 5.955 -11.225 0.982 1.00 0.00 C ATOM 867 NZ LYS A 58 6.518 -12.345 0.178 1.00 0.00 N ATOM 0 H LYS A 58 2.768 -10.987 5.152 1.00 0.00 H new ATOM 0 HA LYS A 58 4.388 -8.702 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.781 -10.412 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.857 -9.131 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.786 -10.265 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.778 -11.449 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.128 -12.736 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.928 -11.720 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.511 -10.486 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.759 -10.725 1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.229 -11.974 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.964 -13.038 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.755 -12.806 -0.357 1.00 0.00 H new ATOM 881 N VAL A 59 1.186 -8.325 4.082 1.00 0.00 N ATOM 882 CA VAL A 59 0.145 -7.327 3.865 1.00 0.00 C ATOM 883 C VAL A 59 -0.001 -6.419 5.082 1.00 0.00 C ATOM 884 O VAL A 59 -0.137 -5.202 4.947 1.00 0.00 O ATOM 885 CB VAL A 59 -1.215 -7.986 3.562 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.257 -6.932 3.215 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.079 -8.999 2.435 1.00 0.00 C ATOM 0 H VAL A 59 0.852 -9.289 4.085 1.00 0.00 H new ATOM 0 HA VAL A 59 0.449 -6.733 3.003 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.548 -8.512 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.210 -7.418 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.376 -6.248 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.932 -6.375 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.049 -9.454 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.722 -8.497 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.368 -9.773 2.725 1.00 0.00 H new ATOM 897 N ARG A 60 0.029 -7.017 6.268 1.00 0.00 N ATOM 898 CA ARG A 60 -0.100 -6.262 7.508 1.00 0.00 C ATOM 899 C ARG A 60 1.126 -5.382 7.738 1.00 0.00 C ATOM 900 O ARG A 60 1.030 -4.313 8.344 1.00 0.00 O ATOM 901 CB ARG A 60 -0.293 -7.215 8.691 1.00 0.00 C ATOM 902 CG ARG A 60 -1.601 -7.002 9.435 1.00 0.00 C ATOM 903 CD ARG A 60 -1.738 -7.960 10.607 1.00 0.00 C ATOM 904 NE ARG A 60 -2.793 -7.549 11.529 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.893 -7.985 12.783 1.00 0.00 C ATOM 906 NH1 ARG A 60 -2.003 -8.844 13.268 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.884 -7.561 13.554 1.00 0.00 N ATOM 0 H ARG A 60 0.142 -8.023 6.396 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.975 -5.617 7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.253 -8.243 8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.536 -7.090 9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.652 -5.975 9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.437 -7.142 8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.953 -8.961 10.234 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.790 -8.016 11.142 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.494 -6.889 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.238 -9.173 12.679 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.085 -9.175 14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.570 -6.901 13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.961 -7.895 14.515 1.00 0.00 H new ATOM 921 N LYS A 61 2.276 -5.838 7.253 1.00 0.00 N ATOM 922 CA LYS A 61 3.519 -5.092 7.407 1.00 0.00 C ATOM 923 C LYS A 61 3.496 -3.815 6.574 1.00 0.00 C ATOM 924 O LYS A 61 3.935 -2.758 7.027 1.00 0.00 O ATOM 925 CB LYS A 61 4.713 -5.960 7.001 1.00 0.00 C ATOM 926 CG LYS A 61 6.055 -5.265 7.162 1.00 0.00 C ATOM 927 CD LYS A 61 6.252 -4.750 8.578 1.00 0.00 C ATOM 928 CE LYS A 61 6.320 -5.889 9.585 1.00 0.00 C ATOM 929 NZ LYS A 61 5.416 -5.660 10.746 1.00 0.00 N ATOM 0 H LYS A 61 2.373 -6.720 6.750 1.00 0.00 H new ATOM 0 HA LYS A 61 3.620 -4.816 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.710 -6.870 7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.593 -6.264 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.857 -5.959 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.122 -4.434 6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.170 -4.164 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.432 -4.081 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.050 -6.824 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.345 -5.999 9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.492 -6.458 11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.689 -4.781 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.435 -5.580 10.411 1.00 0.00 H new ATOM 943 N ILE A 62 2.982 -3.920 5.352 1.00 0.00 N ATOM 944 CA ILE A 62 2.901 -2.773 4.457 1.00 0.00 C ATOM 945 C ILE A 62 1.937 -1.722 4.999 1.00 0.00 C ATOM 946 O ILE A 62 2.219 -0.525 4.957 1.00 0.00 O ATOM 947 CB ILE A 62 2.448 -3.192 3.045 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.329 -4.327 2.518 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.489 -2.002 2.097 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.617 -5.242 1.544 1.00 0.00 C ATOM 0 H ILE A 62 2.616 -4.788 4.960 1.00 0.00 H new ATOM 0 HA ILE A 62 3.902 -2.347 4.396 1.00 0.00 H new ATOM 0 HB ILE A 62 1.420 -3.550 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.204 -3.900 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.690 -4.917 3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.166 -2.316 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.824 -1.221 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.507 -1.616 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.301 -6.023 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.757 -5.698 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.279 -4.665 0.683 1.00 0.00 H new ATOM 962 N LEU A 63 0.798 -2.179 5.509 1.00 0.00 N ATOM 963 CA LEU A 63 -0.208 -1.280 6.060 1.00 0.00 C ATOM 964 C LEU A 63 0.360 -0.484 7.231 1.00 0.00 C ATOM 965 O LEU A 63 0.086 0.708 7.376 1.00 0.00 O ATOM 966 CB LEU A 63 -1.437 -2.071 6.513 1.00 0.00 C ATOM 967 CG LEU A 63 -2.118 -2.892 5.417 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.928 -4.027 6.025 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.004 -2.002 4.559 1.00 0.00 C ATOM 0 H LEU A 63 0.549 -3.167 5.552 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.504 -0.581 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.141 -2.743 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.165 -1.375 6.930 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.346 -3.325 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.405 -4.600 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.268 -4.679 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.692 -3.616 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.481 -2.602 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.769 -1.540 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.398 -1.225 4.094 1.00 0.00 H new ATOM 981 N ASP A 64 1.153 -1.150 8.064 1.00 0.00 N ATOM 982 CA ASP A 64 1.761 -0.505 9.220 1.00 0.00 C ATOM 983 C ASP A 64 2.830 0.492 8.787 1.00 0.00 C ATOM 984 O ASP A 64 3.046 1.512 9.443 1.00 0.00 O ATOM 985 CB ASP A 64 2.372 -1.553 10.153 1.00 0.00 C ATOM 986 CG ASP A 64 2.208 -1.192 11.615 1.00 0.00 C ATOM 987 OD1 ASP A 64 1.098 -0.769 12.002 1.00 0.00 O ATOM 988 OD2 ASP A 64 3.189 -1.332 12.376 1.00 0.00 O ATOM 0 H ASP A 64 1.389 -2.137 7.959 1.00 0.00 H new ATOM 0 HA ASP A 64 0.980 0.036 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.904 -2.519 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.432 -1.663 9.926 1.00 0.00 H new ATOM 993 N LEU A 65 3.497 0.192 7.677 1.00 0.00 N ATOM 994 CA LEU A 65 4.543 1.064 7.154 1.00 0.00 C ATOM 995 C LEU A 65 3.942 2.308 6.510 1.00 0.00 C ATOM 996 O LEU A 65 4.405 3.426 6.741 1.00 0.00 O ATOM 997 CB LEU A 65 5.401 0.312 6.134 1.00 0.00 C ATOM 998 CG LEU A 65 6.288 -0.787 6.719 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.848 -1.666 5.611 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.414 -0.180 7.541 1.00 0.00 C ATOM 0 H LEU A 65 3.332 -0.648 7.122 1.00 0.00 H new ATOM 0 HA LEU A 65 5.172 1.376 7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.744 -0.132 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.035 1.031 5.615 1.00 0.00 H new ATOM 0 HG LEU A 65 5.680 -1.409 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.477 -2.443 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.027 -2.128 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.442 -1.058 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.036 -0.976 7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.021 0.465 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.993 0.407 8.357 1.00 0.00 H new ATOM 1012 N VAL A 66 2.906 2.108 5.702 1.00 0.00 N ATOM 1013 CA VAL A 66 2.240 3.214 5.025 1.00 0.00 C ATOM 1014 C VAL A 66 1.572 4.148 6.028 1.00 0.00 C ATOM 1015 O VAL A 66 1.565 5.366 5.847 1.00 0.00 O ATOM 1016 CB VAL A 66 1.180 2.707 4.027 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.605 3.863 3.223 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.773 1.651 3.106 1.00 0.00 C ATOM 0 H VAL A 66 2.510 1.190 5.500 1.00 0.00 H new ATOM 0 HA VAL A 66 3.009 3.760 4.479 1.00 0.00 H new ATOM 0 HB VAL A 66 0.368 2.249 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.141 3.485 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.139 4.580 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.405 4.354 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.009 1.306 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.605 2.080 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.130 0.809 3.700 1.00 0.00 H new ATOM 1028 N GLN A 67 1.013 3.571 7.086 1.00 0.00 N ATOM 1029 CA GLN A 67 0.344 4.353 8.119 1.00 0.00 C ATOM 1030 C GLN A 67 1.344 5.220 8.876 1.00 0.00 C ATOM 1031 O GLN A 67 1.009 6.310 9.341 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.388 3.429 9.094 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.580 2.716 8.477 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.962 1.459 9.234 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.118 0.811 9.853 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.242 1.106 9.187 1.00 0.00 N ATOM 0 H GLN A 67 1.010 2.564 7.251 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.382 5.005 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.313 2.686 9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.727 4.013 9.950 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.433 3.395 8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.349 2.458 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.908 1.672 8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.558 0.269 9.676 1.00 0.00 H new ATOM 1045 N SER A 68 2.573 4.730 8.997 1.00 0.00 N ATOM 1046 CA SER A 68 3.623 5.461 9.697 1.00 0.00 C ATOM 1047 C SER A 68 4.109 6.642 8.865 1.00 0.00 C ATOM 1048 O SER A 68 4.477 7.686 9.405 1.00 0.00 O ATOM 1049 CB SER A 68 4.794 4.530 10.018 1.00 0.00 C ATOM 1050 OG SER A 68 4.570 3.827 11.228 1.00 0.00 O ATOM 0 H SER A 68 2.867 3.829 8.619 1.00 0.00 H new ATOM 0 HA SER A 68 3.207 5.843 10.629 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.933 3.821 9.202 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.713 5.110 10.096 1.00 0.00 H new ATOM 0 HG SER A 68 5.332 3.238 11.410 1.00 0.00 H new ATOM 1056 N LYS A 69 4.108 6.472 7.547 1.00 0.00 N ATOM 1057 CA LYS A 69 4.548 7.524 6.639 1.00 0.00 C ATOM 1058 C LYS A 69 3.598 8.716 6.689 1.00 0.00 C ATOM 1059 O LYS A 69 4.032 9.865 6.762 1.00 0.00 O ATOM 1060 CB LYS A 69 4.639 6.988 5.209 1.00 0.00 C ATOM 1061 CG LYS A 69 5.640 5.857 5.045 1.00 0.00 C ATOM 1062 CD LYS A 69 5.429 5.110 3.738 1.00 0.00 C ATOM 1063 CE LYS A 69 6.131 3.761 3.748 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.428 3.804 3.018 1.00 0.00 N ATOM 0 H LYS A 69 3.807 5.615 7.084 1.00 0.00 H new ATOM 0 HA LYS A 69 5.536 7.856 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.655 6.638 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.913 7.804 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.653 6.259 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.547 5.163 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.362 4.965 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.804 5.711 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.304 3.450 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.483 3.011 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.742 2.834 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.308 4.326 2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.141 4.281 3.605 1.00 0.00 H new ATOM 1078 N GLY A 70 2.299 8.433 6.650 1.00 0.00 N ATOM 1079 CA GLY A 70 1.308 9.492 6.693 1.00 0.00 C ATOM 1080 C GLY A 70 0.223 9.312 5.650 1.00 0.00 C ATOM 1081 O GLY A 70 0.062 8.228 5.092 1.00 0.00 O ATOM 0 H GLY A 70 1.916 7.490 6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.854 9.521 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.800 10.452 6.539 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.524 10.380 5.388 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.601 10.337 4.406 1.00 0.00 C ATOM 1087 C GLU A 71 -1.052 10.455 2.986 1.00 0.00 C ATOM 1088 O GLU A 71 -1.664 9.976 2.032 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.609 11.457 4.673 1.00 0.00 C ATOM 1090 CG GLU A 71 -4.043 10.970 4.788 1.00 0.00 C ATOM 1091 CD GLU A 71 -5.052 12.024 4.377 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.955 12.526 3.237 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.940 12.349 5.194 1.00 0.00 O ATOM 0 H GLU A 71 -0.403 11.285 5.842 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.105 9.375 4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.334 11.970 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.546 12.190 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.173 10.085 4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.238 10.667 5.817 1.00 0.00 H new ATOM 1100 N GLU A 72 0.107 11.095 2.853 1.00 0.00 N ATOM 1101 CA GLU A 72 0.737 11.276 1.551 1.00 0.00 C ATOM 1102 C GLU A 72 0.969 9.933 0.864 1.00 0.00 C ATOM 1103 O GLU A 72 0.930 9.837 -0.363 1.00 0.00 O ATOM 1104 CB GLU A 72 2.064 12.022 1.702 1.00 0.00 C ATOM 1105 CG GLU A 72 2.306 13.059 0.617 1.00 0.00 C ATOM 1106 CD GLU A 72 2.847 14.364 1.167 1.00 0.00 C ATOM 1107 OE1 GLU A 72 2.142 15.007 1.972 1.00 0.00 O ATOM 1108 OE2 GLU A 72 3.977 14.742 0.792 1.00 0.00 O ATOM 0 H GLU A 72 0.628 11.497 3.632 1.00 0.00 H new ATOM 0 HA GLU A 72 0.064 11.868 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.086 12.514 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.880 11.300 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.009 12.658 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.372 13.251 0.089 1.00 0.00 H new ATOM 1115 N VAL A 73 1.208 8.899 1.663 1.00 0.00 N ATOM 1116 CA VAL A 73 1.445 7.561 1.131 1.00 0.00 C ATOM 1117 C VAL A 73 0.188 6.703 1.222 1.00 0.00 C ATOM 1118 O VAL A 73 -0.035 5.821 0.393 1.00 0.00 O ATOM 1119 CB VAL A 73 2.590 6.854 1.878 1.00 0.00 C ATOM 1120 CG1 VAL A 73 2.955 5.550 1.184 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.803 7.767 1.985 1.00 0.00 C ATOM 0 H VAL A 73 1.243 8.961 2.681 1.00 0.00 H new ATOM 0 HA VAL A 73 1.725 7.682 0.084 1.00 0.00 H new ATOM 0 HB VAL A 73 2.251 6.620 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.766 5.064 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.086 4.892 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.275 5.758 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.602 7.250 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.146 8.035 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.531 8.671 2.530 1.00 0.00 H new ATOM 1131 N SER A 74 -0.631 6.965 2.236 1.00 0.00 N ATOM 1132 CA SER A 74 -1.866 6.215 2.435 1.00 0.00 C ATOM 1133 C SER A 74 -2.802 6.384 1.242 1.00 0.00 C ATOM 1134 O SER A 74 -3.546 5.468 0.892 1.00 0.00 O ATOM 1135 CB SER A 74 -2.565 6.674 3.716 1.00 0.00 C ATOM 1136 OG SER A 74 -3.572 5.756 4.104 1.00 0.00 O ATOM 0 H SER A 74 -0.462 7.691 2.932 1.00 0.00 H new ATOM 0 HA SER A 74 -1.611 5.159 2.527 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.833 6.776 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.006 7.659 3.561 1.00 0.00 H new ATOM 0 HG SER A 74 -4.379 5.912 3.571 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.760 7.559 0.624 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.605 7.847 -0.529 1.00 0.00 C ATOM 1144 C GLU A 75 -3.079 7.146 -1.778 1.00 0.00 C ATOM 1145 O GLU A 75 -3.850 6.595 -2.564 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.678 9.356 -0.769 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.617 9.748 -1.898 1.00 0.00 C ATOM 1148 CD GLU A 75 -4.604 11.239 -2.175 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -4.185 12.005 -1.282 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.013 11.640 -3.284 1.00 0.00 O ATOM 0 H GLU A 75 -2.150 8.328 0.902 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.606 7.471 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.003 9.846 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.678 9.729 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.335 9.211 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.631 9.438 -1.647 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.761 7.173 -1.955 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.132 6.540 -3.109 1.00 0.00 C ATOM 1159 C PHE A 76 -1.257 5.022 -3.033 1.00 0.00 C ATOM 1160 O PHE A 76 -1.387 4.348 -4.056 1.00 0.00 O ATOM 1161 CB PHE A 76 0.343 6.937 -3.193 1.00 0.00 C ATOM 1162 CG PHE A 76 1.038 6.410 -4.416 1.00 0.00 C ATOM 1163 CD1 PHE A 76 1.540 5.119 -4.440 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.190 7.206 -5.540 1.00 0.00 C ATOM 1165 CE1 PHE A 76 2.180 4.630 -5.564 1.00 0.00 C ATOM 1166 CE2 PHE A 76 1.829 6.724 -6.667 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.325 5.435 -6.679 1.00 0.00 C ATOM 0 H PHE A 76 -1.109 7.626 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.647 6.885 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.419 8.024 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.860 6.572 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.430 4.487 -3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.805 8.215 -5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.566 3.621 -5.571 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.940 7.354 -7.537 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.825 5.056 -7.558 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.217 4.489 -1.816 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.326 3.050 -1.609 1.00 0.00 C ATOM 1179 C PHE A 77 -2.754 2.571 -1.850 1.00 0.00 C ATOM 1180 O PHE A 77 -2.973 1.450 -2.311 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.886 2.684 -0.191 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.917 1.207 0.086 1.00 0.00 C ATOM 1183 CD1 PHE A 77 -0.246 0.320 -0.741 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.619 0.707 1.171 1.00 0.00 C ATOM 1185 CE1 PHE A 77 -0.273 -1.038 -0.490 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.649 -0.651 1.427 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.976 -1.524 0.595 1.00 0.00 C ATOM 0 H PHE A 77 -1.110 5.032 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.671 2.555 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.126 3.055 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.533 3.193 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.304 0.695 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.148 1.386 1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.255 -1.719 -1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.198 -1.029 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.999 -2.586 0.793 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.721 3.427 -1.538 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.127 3.089 -1.721 1.00 0.00 C ATOM 1199 C LEU A 78 -5.531 3.213 -3.187 1.00 0.00 C ATOM 1200 O LEU A 78 -6.399 2.483 -3.665 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.007 3.999 -0.859 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.078 3.618 0.620 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.517 4.810 1.457 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.024 2.445 0.824 1.00 0.00 C ATOM 0 H LEU A 78 -3.557 4.359 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.270 2.054 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.634 5.020 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.017 3.996 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.082 3.317 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.562 4.521 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.802 5.623 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.502 5.141 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.062 2.188 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.022 2.718 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.667 1.587 0.255 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.895 4.140 -3.894 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.187 4.359 -5.306 1.00 0.00 C ATOM 1218 C TYR A 79 -4.783 3.147 -6.140 1.00 0.00 C ATOM 1219 O TYR A 79 -5.442 2.811 -7.123 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.457 5.606 -5.812 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.179 6.318 -6.933 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.275 5.747 -8.195 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.764 7.561 -6.728 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.933 6.397 -9.223 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.424 8.216 -7.750 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.506 7.630 -8.996 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.163 8.279 -10.016 1.00 0.00 O ATOM 0 H TYR A 79 -4.174 4.752 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.262 4.507 -5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.321 6.299 -4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.463 5.320 -6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.829 4.780 -8.377 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.702 8.023 -5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.998 5.941 -10.200 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.874 9.182 -7.574 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.510 9.135 -9.689 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.697 2.495 -5.738 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.204 1.320 -6.447 1.00 0.00 C ATOM 1239 C LEU A 80 -4.233 0.194 -6.417 1.00 0.00 C ATOM 1240 O LEU A 80 -4.390 -0.544 -7.390 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.889 0.841 -5.831 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.711 1.804 -5.990 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.201 1.737 -4.774 1.00 0.00 C ATOM 1244 CD2 LEU A 80 0.065 1.489 -7.260 1.00 0.00 C ATOM 0 H LEU A 80 -3.141 2.761 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.030 1.601 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.048 0.658 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.621 -0.114 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.102 2.818 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.033 2.429 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.362 2.011 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.586 0.723 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.900 2.183 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.446 0.469 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.593 1.589 -8.123 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.931 0.066 -5.294 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.945 -0.971 -5.136 1.00 0.00 C ATOM 1258 C LEU A 81 -7.041 -0.827 -6.187 1.00 0.00 C ATOM 1259 O LEU A 81 -7.652 -1.814 -6.597 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.555 -0.908 -3.735 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.547 -0.968 -2.585 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -6.136 -0.348 -1.328 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.121 -2.405 -2.326 1.00 0.00 C ATOM 0 H LEU A 81 -4.813 0.668 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.462 -1.939 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.129 0.014 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.259 -1.733 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.664 -0.394 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.406 -0.399 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.391 0.694 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.034 -0.894 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.404 -2.430 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.994 -3.002 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.659 -2.815 -3.224 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.285 0.405 -6.618 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.309 0.677 -7.619 1.00 0.00 C ATOM 1277 C GLN A 82 -7.886 0.153 -8.989 1.00 0.00 C ATOM 1278 O GLN A 82 -8.554 -0.703 -9.572 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.591 2.180 -7.697 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.071 2.524 -7.652 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.612 2.948 -9.003 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -11.619 2.420 -9.476 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -9.946 3.909 -9.632 1.00 0.00 N ATOM 0 H GLN A 82 -6.787 1.232 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.220 0.160 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.085 2.680 -6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.163 2.574 -8.618 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.631 1.659 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.232 3.326 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.116 4.319 -9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.264 4.237 -10.544 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.774 0.673 -9.498 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.262 0.259 -10.801 1.00 0.00 C ATOM 1294 C GLN A 83 -5.862 -1.213 -10.787 1.00 0.00 C ATOM 1295 O GLN A 83 -6.174 -1.960 -11.714 1.00 0.00 O ATOM 1296 CB GLN A 83 -5.064 1.122 -11.197 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.377 2.609 -11.256 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.139 3.471 -11.110 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -3.722 4.144 -12.053 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.542 3.455 -9.922 1.00 0.00 N ATOM 0 H GLN A 83 -6.210 1.382 -9.029 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.056 0.393 -11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.257 0.957 -10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.699 0.797 -12.171 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.864 2.837 -12.204 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.085 2.859 -10.466 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.922 2.883 -9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.704 4.015 -9.765 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.168 -1.624 -9.730 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.725 -3.007 -9.597 1.00 0.00 C ATOM 1311 C LEU A 84 -5.909 -3.956 -9.417 1.00 0.00 C ATOM 1312 O LEU A 84 -5.765 -5.171 -9.552 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.764 -3.144 -8.414 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.440 -2.391 -8.564 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.669 -2.403 -7.253 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.605 -2.999 -9.682 1.00 0.00 C ATOM 0 H LEU A 84 -4.901 -1.019 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.207 -3.280 -10.516 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.267 -2.789 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.548 -4.201 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.659 -1.355 -8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.730 -1.863 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.264 -1.922 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.460 -3.433 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.667 -2.451 -9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.394 -4.043 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.155 -2.938 -10.621 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.079 -3.397 -9.111 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.283 -4.199 -8.914 1.00 0.00 C ATOM 1330 C ALA A 85 -8.532 -5.132 -10.097 1.00 0.00 C ATOM 1331 O ALA A 85 -9.170 -6.174 -9.952 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.486 -3.295 -8.693 1.00 0.00 C ATOM 0 H ALA A 85 -7.218 -2.393 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.133 -4.816 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.378 -3.905 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.320 -2.678 -7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.624 -2.653 -9.563 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.024 -4.750 -11.266 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.195 -5.555 -12.472 1.00 0.00 C ATOM 1340 C ASP A 86 -7.662 -6.970 -12.265 1.00 0.00 C ATOM 1341 O ASP A 86 -8.400 -7.947 -12.396 1.00 0.00 O ATOM 1342 CB ASP A 86 -7.480 -4.896 -13.653 1.00 0.00 C ATOM 1343 CG ASP A 86 -8.392 -3.979 -14.443 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -8.941 -3.030 -13.845 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -8.557 -4.209 -15.658 1.00 0.00 O ATOM 0 H ASP A 86 -7.492 -3.891 -11.404 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.261 -5.618 -12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.627 -4.326 -13.285 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.087 -5.669 -14.313 1.00 0.00 H new ATOM 1350 N ALA A 87 -6.377 -7.072 -11.943 1.00 0.00 N ATOM 1351 CA ALA A 87 -5.746 -8.367 -11.719 1.00 0.00 C ATOM 1352 C ALA A 87 -6.415 -9.111 -10.567 1.00 0.00 C ATOM 1353 O ALA A 87 -6.613 -10.324 -10.630 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.261 -8.190 -11.444 1.00 0.00 C ATOM 0 H ALA A 87 -5.752 -6.273 -11.831 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.868 -8.964 -12.623 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.803 -9.165 -11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.788 -7.707 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.126 -7.571 -10.557 1.00 0.00 H new ATOM 1360 N TYR A 88 -6.761 -8.375 -9.516 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.407 -8.966 -8.349 1.00 0.00 C ATOM 1362 C TYR A 88 -8.851 -9.343 -8.661 1.00 0.00 C ATOM 1363 O TYR A 88 -9.350 -9.080 -9.755 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.365 -7.992 -7.170 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.980 -7.797 -6.595 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.365 -8.801 -5.859 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.290 -6.606 -6.787 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -4.100 -8.627 -5.332 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.024 -6.424 -6.262 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.434 -7.437 -5.537 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.173 -7.259 -5.013 1.00 0.00 O ATOM 0 H TYR A 88 -6.605 -7.369 -9.448 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.863 -9.872 -8.082 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.754 -7.027 -7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.027 -8.356 -6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.884 -9.734 -5.696 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.750 -5.811 -7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.635 -9.418 -4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.500 -5.493 -6.419 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.084 -7.782 -4.189 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.517 -9.964 -7.693 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.904 -10.379 -7.865 1.00 0.00 C ATOM 1383 C VAL A 89 -11.755 -9.962 -6.671 1.00 0.00 C ATOM 1384 O VAL A 89 -12.846 -9.415 -6.833 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.016 -11.903 -8.053 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -12.437 -12.294 -8.428 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -10.028 -12.385 -9.105 1.00 0.00 C ATOM 0 H VAL A 89 -9.119 -10.191 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.273 -9.882 -8.762 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.770 -12.385 -7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.495 -13.375 -8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.120 -11.985 -7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.716 -11.802 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.121 -13.464 -9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.240 -11.895 -10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.013 -12.141 -8.790 1.00 0.00 H new ATOM 1397 N ASP A 90 -11.250 -10.225 -5.470 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.964 -9.878 -4.247 1.00 0.00 C ATOM 1399 C ASP A 90 -12.028 -8.364 -4.066 1.00 0.00 C ATOM 1400 O ASP A 90 -12.998 -7.835 -3.523 1.00 0.00 O ATOM 1401 CB ASP A 90 -11.287 -10.520 -3.035 1.00 0.00 C ATOM 1402 CG ASP A 90 -11.244 -12.033 -3.131 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -10.593 -12.549 -4.064 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -11.860 -12.700 -2.274 1.00 0.00 O ATOM 0 H ASP A 90 -10.349 -10.677 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.982 -10.260 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.271 -10.135 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.820 -10.231 -2.129 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.989 -7.674 -4.525 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.927 -6.221 -4.415 1.00 0.00 C ATOM 1411 C LEU A 91 -11.745 -5.557 -5.517 1.00 0.00 C ATOM 1412 O LEU A 91 -11.355 -5.566 -6.685 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.476 -5.744 -4.481 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.600 -6.169 -3.301 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.135 -5.885 -3.593 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.041 -5.458 -2.030 1.00 0.00 C ATOM 0 H LEU A 91 -10.178 -8.098 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.351 -5.936 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.028 -6.120 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.470 -4.656 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.716 -7.243 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.528 -6.194 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.827 -6.439 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.999 -4.818 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.408 -5.771 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.953 -4.380 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.078 -5.713 -1.812 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.883 -4.983 -5.139 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.759 -4.315 -6.095 1.00 0.00 C ATOM 1430 C ARG A 92 -14.984 -3.727 -5.396 1.00 0.00 C ATOM 1431 O ARG A 92 -15.197 -2.515 -5.418 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.196 -5.290 -7.192 1.00 0.00 C ATOM 1433 CG ARG A 92 -13.902 -4.795 -8.599 1.00 0.00 C ATOM 1434 CD ARG A 92 -14.422 -5.762 -9.650 1.00 0.00 C ATOM 1435 NE ARG A 92 -15.875 -5.907 -9.591 1.00 0.00 N ATOM 1436 CZ ARG A 92 -16.611 -6.399 -10.584 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -16.037 -6.793 -11.715 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -17.927 -6.498 -10.447 1.00 0.00 N ATOM 0 H ARG A 92 -13.220 -4.967 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.199 -3.498 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.693 -6.245 -7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.266 -5.475 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.360 -3.817 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.827 -4.665 -8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.133 -5.410 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.955 -6.736 -9.509 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.353 -5.614 -8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.026 -6.719 -11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.607 -7.169 -12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.374 -6.197 -9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.492 -6.875 -11.208 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.809 -4.580 -4.762 1.00 0.00 N ATOM 1453 CA PRO A 93 -17.015 -4.131 -4.057 1.00 0.00 C ATOM 1454 C PRO A 93 -16.690 -3.234 -2.867 1.00 0.00 C ATOM 1455 O PRO A 93 -17.494 -2.385 -2.479 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.667 -5.434 -3.582 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.562 -6.432 -3.563 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.637 -6.042 -4.680 1.00 0.00 C ATOM 0 HA PRO A 93 -17.658 -3.531 -4.701 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.110 -5.316 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.467 -5.743 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.043 -6.422 -2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.945 -7.442 -3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.604 -6.315 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.906 -6.533 -5.616 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.509 -3.428 -2.292 1.00 0.00 N ATOM 1467 CA TRP A 94 -15.078 -2.635 -1.145 1.00 0.00 C ATOM 1468 C TRP A 94 -14.850 -1.180 -1.545 1.00 0.00 C ATOM 1469 O TRP A 94 -15.258 -0.261 -0.836 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.796 -3.218 -0.548 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.336 -2.501 0.684 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -14.058 -2.281 1.822 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -12.051 -1.907 0.902 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -13.299 -1.588 2.734 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -12.063 -1.347 2.193 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.890 -1.797 0.131 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.961 -0.687 2.730 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.797 -1.141 0.665 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.838 -0.593 1.953 1.00 0.00 C ATOM 0 H TRP A 94 -14.833 -4.127 -2.600 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.868 -2.668 -0.395 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.960 -4.269 -0.308 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.005 -3.182 -1.297 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -15.076 -2.604 1.982 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.606 -1.300 3.663 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.848 -2.217 -0.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.991 -0.265 3.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.895 -1.049 0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.967 -0.086 2.341 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.196 -0.979 -2.684 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.913 0.363 -3.178 1.00 0.00 C ATOM 1492 C LEU A 95 -15.206 1.126 -3.451 1.00 0.00 C ATOM 1493 O LEU A 95 -15.383 2.254 -2.990 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.068 0.294 -4.451 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.798 -0.550 -4.341 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.386 -1.076 -5.706 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.673 0.264 -3.719 1.00 0.00 C ATOM 0 H LEU A 95 -13.852 -1.730 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.354 0.896 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.684 -0.107 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.788 1.308 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.005 -1.403 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.480 -1.674 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.186 -1.693 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.196 -0.238 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.776 -0.351 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.467 1.135 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.969 0.591 -2.722 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.106 0.504 -4.205 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.383 1.125 -4.541 1.00 0.00 C ATOM 1511 C LEU A 96 -18.183 1.439 -3.280 1.00 0.00 C ATOM 1512 O LEU A 96 -18.944 2.407 -3.242 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.194 0.208 -5.458 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.869 0.333 -6.948 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.085 -0.996 -7.654 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.716 1.423 -7.588 1.00 0.00 C ATOM 0 H LEU A 96 -15.975 -0.429 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.178 2.060 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.030 -0.825 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.254 0.419 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.819 0.609 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.849 -0.888 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.436 -1.752 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.125 -1.302 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.472 1.498 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.772 1.177 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.512 2.376 -7.100 1.00 0.00 H new ATOM 1528 N GLU A 97 -18.005 0.618 -2.252 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.711 0.810 -0.990 1.00 0.00 C ATOM 1530 C GLU A 97 -18.219 2.068 -0.280 1.00 0.00 C ATOM 1531 O GLU A 97 -18.970 3.028 -0.106 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.523 -0.411 -0.086 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.767 -1.277 0.032 1.00 0.00 C ATOM 1534 CD GLU A 97 -19.606 -2.394 1.044 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -19.516 -2.094 2.252 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -19.568 -3.572 0.627 1.00 0.00 O ATOM 0 H GLU A 97 -17.378 -0.187 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.772 0.930 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.704 -1.017 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.229 -0.075 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.614 -0.653 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -20.001 -1.706 -0.943 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.955 2.054 0.129 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.364 3.194 0.821 1.00 0.00 C ATOM 1545 C ILE A 98 -16.388 4.443 -0.054 1.00 0.00 C ATOM 1546 O ILE A 98 -16.441 5.565 0.450 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.911 2.903 1.241 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -14.084 2.461 0.032 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.876 1.841 2.330 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.683 3.033 0.016 1.00 0.00 C ATOM 0 H ILE A 98 -16.320 1.267 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.965 3.368 1.713 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.475 3.819 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.024 1.373 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.600 2.760 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.842 1.647 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.433 2.192 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.328 0.922 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.155 2.677 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.735 4.122 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.149 2.713 0.911 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.348 4.242 -1.367 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.366 5.362 -2.291 1.00 0.00 C ATOM 1564 C GLY A 99 -15.039 6.094 -2.341 1.00 0.00 C ATOM 1565 O GLY A 99 -14.828 7.061 -1.611 1.00 0.00 O ATOM 0 H GLY A 99 -16.303 3.323 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.617 5.002 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.151 6.059 -1.997 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.142 5.628 -3.204 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.828 6.244 -3.346 1.00 0.00 C ATOM 1571 C PHE A 100 -12.717 6.990 -4.672 1.00 0.00 C ATOM 1572 O PHE A 100 -12.600 6.378 -5.733 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.731 5.181 -3.255 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.396 5.730 -2.839 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.684 6.568 -3.681 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.854 5.408 -1.605 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.455 7.074 -3.302 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.626 5.911 -1.220 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.926 6.745 -2.070 1.00 0.00 C ATOM 0 H PHE A 100 -14.301 4.827 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.701 6.960 -2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -12.037 4.415 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.628 4.693 -4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.094 6.829 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.397 4.757 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.909 7.726 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.214 5.652 -0.256 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.966 7.139 -1.771 1.00 0.00 H new ATOM 1589 N SER A 101 -12.755 8.317 -4.603 1.00 0.00 N ATOM 1590 CA SER A 101 -12.658 9.148 -5.796 1.00 0.00 C ATOM 1591 C SER A 101 -11.635 10.262 -5.602 1.00 0.00 C ATOM 1592 O SER A 101 -10.633 10.330 -6.315 1.00 0.00 O ATOM 1593 CB SER A 101 -14.024 9.746 -6.137 1.00 0.00 C ATOM 1594 OG SER A 101 -15.069 8.839 -5.833 1.00 0.00 O ATOM 0 H SER A 101 -12.852 8.839 -3.732 1.00 0.00 H new ATOM 0 HA SER A 101 -12.328 8.518 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.168 10.672 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.058 10.003 -7.196 1.00 0.00 H new ATOM 0 HG SER A 101 -15.931 9.246 -6.059 1.00 0.00 H new ATOM 1600 N SER A 102 -11.895 11.135 -4.634 1.00 0.00 N ATOM 1601 CA SER A 102 -10.997 12.247 -4.346 1.00 0.00 C ATOM 1602 C SER A 102 -10.856 13.161 -5.559 1.00 0.00 C ATOM 1603 O SER A 102 -9.807 13.769 -5.770 1.00 0.00 O ATOM 1604 CB SER A 102 -9.623 11.724 -3.924 1.00 0.00 C ATOM 1605 OG SER A 102 -9.540 11.583 -2.516 1.00 0.00 O ATOM 0 H SER A 102 -12.720 11.094 -4.036 1.00 0.00 H new ATOM 0 HA SER A 102 -11.425 12.825 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.435 10.762 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.848 12.408 -4.270 1.00 0.00 H new ATOM 0 HG SER A 102 -8.653 11.246 -2.273 1.00 0.00 H new ATOM 1611 N GLY A 103 -11.918 13.252 -6.352 1.00 0.00 N ATOM 1612 CA GLY A 103 -11.891 14.093 -7.534 1.00 0.00 C ATOM 1613 C GLY A 103 -13.253 14.685 -7.854 1.00 0.00 C ATOM 1614 O GLY A 103 -14.235 13.952 -7.970 1.00 0.00 O ATOM 0 H GLY A 103 -12.797 12.758 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.173 14.900 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.543 13.508 -8.385 1.00 0.00 H new ATOM 1618 N PRO A 104 -13.349 16.019 -8.007 1.00 0.00 N ATOM 1619 CA PRO A 104 -14.618 16.686 -8.318 1.00 0.00 C ATOM 1620 C PRO A 104 -15.077 16.419 -9.746 1.00 0.00 C ATOM 1621 O PRO A 104 -16.248 16.124 -9.988 1.00 0.00 O ATOM 1622 CB PRO A 104 -14.294 18.169 -8.129 1.00 0.00 C ATOM 1623 CG PRO A 104 -12.830 18.270 -8.379 1.00 0.00 C ATOM 1624 CD PRO A 104 -12.235 16.980 -7.888 1.00 0.00 C ATOM 0 HA PRO A 104 -15.432 16.330 -7.687 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -14.858 18.790 -8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -14.548 18.505 -7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.625 18.416 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.402 19.123 -7.852 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -11.378 16.678 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.886 17.065 -6.859 1.00 0.00 H new ATOM 1632 N SER A 105 -14.148 16.525 -10.692 1.00 0.00 N ATOM 1633 CA SER A 105 -14.458 16.294 -12.098 1.00 0.00 C ATOM 1634 C SER A 105 -13.350 15.495 -12.776 1.00 0.00 C ATOM 1635 O SER A 105 -12.185 15.574 -12.386 1.00 0.00 O ATOM 1636 CB SER A 105 -14.657 17.627 -12.821 1.00 0.00 C ATOM 1637 OG SER A 105 -15.851 18.263 -12.400 1.00 0.00 O ATOM 0 H SER A 105 -13.175 16.769 -10.510 1.00 0.00 H new ATOM 0 HA SER A 105 -15.381 15.717 -12.152 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.806 18.280 -12.627 1.00 0.00 H new ATOM 0 HB3 SER A 105 -14.691 17.459 -13.897 1.00 0.00 H new ATOM 0 HG SER A 105 -15.954 19.114 -12.876 1.00 0.00 H new ATOM 1643 N SER A 106 -13.722 14.725 -13.793 1.00 0.00 N ATOM 1644 CA SER A 106 -12.760 13.910 -14.527 1.00 0.00 C ATOM 1645 C SER A 106 -12.048 14.737 -15.593 1.00 0.00 C ATOM 1646 O SER A 106 -12.673 15.218 -16.538 1.00 0.00 O ATOM 1647 CB SER A 106 -13.460 12.715 -15.175 1.00 0.00 C ATOM 1648 OG SER A 106 -12.526 11.860 -15.813 1.00 0.00 O ATOM 0 H SER A 106 -14.682 14.648 -14.128 1.00 0.00 H new ATOM 0 HA SER A 106 -12.016 13.545 -13.819 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.010 12.157 -14.417 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.190 13.068 -15.903 1.00 0.00 H new ATOM 0 HG SER A 106 -12.999 11.103 -16.218 1.00 0.00 H new ATOM 1654 N GLY A 107 -10.738 14.897 -15.435 1.00 0.00 N ATOM 1655 CA GLY A 107 -9.964 15.665 -16.391 1.00 0.00 C ATOM 1656 C GLY A 107 -9.342 14.795 -17.465 1.00 0.00 C ATOM 1657 O GLY A 107 -8.448 15.289 -18.185 1.00 0.00 O ATOM 1658 OXT GLY A 107 -9.746 13.619 -17.584 1.00 0.00 O ATOM 0 H GLY A 107 -10.199 14.508 -14.661 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.607 16.411 -16.859 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.177 16.207 -15.866 1.00 0.00 H new TER 1662 GLY A 107