USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 902 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 67 THR OG1 : rot -56:sc= 0.144 USER MOD Set 1.2: A 82 MET CE :methyl -118:sc= -1.97 (180deg=-1.59) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 THR OG1 : rot -13:sc= 0.381 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.4 (180deg=0.563) USER MOD Single : A 3 SER OG : rot 32:sc= 0.167 USER MOD Single : A 7 GLN : amide:sc= -0.603 K(o=-0.6,f=-1.1) USER MOD Single : A 11 CYS SG : rot 50:sc= -0.35 USER MOD Single : A 12 HIS : no HE2:sc= 0.1 K(o=0.1,f=-3.1!) USER MOD Single : A 18 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.2!) USER MOD Single : A 20 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.68) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 91:sc= 0.382 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0025 USER MOD Single : A 36 THR OG1 : rot 140:sc= -2.65! USER MOD Single : A 38 SER OG : rot 79:sc= 1.23 USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.16) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0.183 (180deg=0.057) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 71:sc= 1.18 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 84 THR OG1 : rot 55:sc= 0.887 USER MOD Single : A 86 MET CE :methyl -160:sc= -0.135 (180deg=-0.669) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= -0.0619 (180deg=-0.407) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.377 X(o=0.38,f=-0.076) USER MOD Single : A 107 SER OG : rot 180:sc= -1.12 USER MOD Single : A 108 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 111 LYS NZ :NH3+ 156:sc= 1.19 (180deg=0.741) USER MOD Single : A 112 HIS : no HE2:sc= -2.81 K(o=-2.8,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.399 5.636 -23.046 1.00 0.00 N ATOM 2 CA MET A 1 -11.964 5.750 -23.250 1.00 0.00 C ATOM 3 C MET A 1 -11.271 5.451 -21.941 1.00 0.00 C ATOM 4 O MET A 1 -11.605 6.036 -20.913 1.00 0.00 O ATOM 5 CB MET A 1 -11.551 7.151 -23.758 1.00 0.00 C ATOM 6 CG MET A 1 -12.052 7.520 -25.155 1.00 0.00 C ATOM 7 SD MET A 1 -13.843 7.705 -25.260 1.00 0.00 S ATOM 8 CE MET A 1 -14.040 8.024 -27.013 1.00 0.00 C ATOM 0 H1 MET A 1 -13.899 6.121 -23.818 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.669 4.632 -23.035 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.656 6.073 -22.138 1.00 0.00 H new ATOM 0 HA MET A 1 -11.668 5.036 -24.019 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.916 7.896 -23.052 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.463 7.214 -23.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.581 8.453 -25.465 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.733 6.752 -25.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.097 8.162 -27.241 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.490 8.926 -27.283 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.653 7.179 -27.582 1.00 0.00 H new ATOM 18 N ALA A 2 -10.334 4.540 -21.974 1.00 0.00 N ATOM 19 CA ALA A 2 -9.655 4.097 -20.773 1.00 0.00 C ATOM 20 C ALA A 2 -8.792 5.190 -20.171 1.00 0.00 C ATOM 21 O ALA A 2 -8.302 6.084 -20.878 1.00 0.00 O ATOM 22 CB ALA A 2 -8.825 2.874 -21.064 1.00 0.00 C ATOM 0 H ALA A 2 -10.017 4.082 -22.829 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.420 3.845 -20.039 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.320 2.552 -20.153 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.471 2.073 -21.424 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.082 3.111 -21.826 1.00 0.00 H new ATOM 28 N SER A 3 -8.631 5.126 -18.882 1.00 0.00 N ATOM 29 CA SER A 3 -7.821 6.047 -18.158 1.00 0.00 C ATOM 30 C SER A 3 -6.622 5.267 -17.610 1.00 0.00 C ATOM 31 O SER A 3 -6.406 4.105 -17.992 1.00 0.00 O ATOM 32 CB SER A 3 -8.653 6.682 -17.019 1.00 0.00 C ATOM 33 OG SER A 3 -7.928 7.698 -16.335 1.00 0.00 O ATOM 0 H SER A 3 -9.070 4.415 -18.297 1.00 0.00 H new ATOM 0 HA SER A 3 -7.469 6.858 -18.795 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.569 7.105 -17.431 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.949 5.908 -16.311 1.00 0.00 H new ATOM 0 HG SER A 3 -7.319 8.143 -16.961 1.00 0.00 H new ATOM 39 N GLU A 4 -5.862 5.866 -16.746 1.00 0.00 N ATOM 40 CA GLU A 4 -4.702 5.224 -16.211 1.00 0.00 C ATOM 41 C GLU A 4 -5.048 4.495 -14.906 1.00 0.00 C ATOM 42 O GLU A 4 -5.139 5.096 -13.830 1.00 0.00 O ATOM 43 CB GLU A 4 -3.562 6.232 -16.053 1.00 0.00 C ATOM 44 CG GLU A 4 -2.267 5.653 -15.537 1.00 0.00 C ATOM 45 CD GLU A 4 -1.147 6.657 -15.569 1.00 0.00 C ATOM 46 OE1 GLU A 4 -1.136 7.597 -14.748 1.00 0.00 O ATOM 47 OE2 GLU A 4 -0.245 6.521 -16.427 1.00 0.00 O ATOM 0 H GLU A 4 -6.027 6.809 -16.393 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.351 4.463 -16.908 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.374 6.700 -17.019 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.886 7.021 -15.374 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.409 5.301 -14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.993 4.786 -16.138 1.00 0.00 H new ATOM 54 N GLU A 5 -5.293 3.211 -15.040 1.00 0.00 N ATOM 55 CA GLU A 5 -5.667 2.348 -13.937 1.00 0.00 C ATOM 56 C GLU A 5 -4.588 1.291 -13.744 1.00 0.00 C ATOM 57 O GLU A 5 -3.851 0.978 -14.690 1.00 0.00 O ATOM 58 CB GLU A 5 -7.015 1.669 -14.259 1.00 0.00 C ATOM 59 CG GLU A 5 -6.981 0.804 -15.524 1.00 0.00 C ATOM 60 CD GLU A 5 -8.323 0.222 -15.888 1.00 0.00 C ATOM 61 OE1 GLU A 5 -8.673 -0.873 -15.402 1.00 0.00 O ATOM 62 OE2 GLU A 5 -9.043 0.847 -16.683 1.00 0.00 O ATOM 0 H GLU A 5 -5.237 2.726 -15.935 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.768 2.933 -13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.311 1.049 -13.413 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.780 2.437 -14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.616 1.405 -16.357 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.268 -0.008 -15.381 1.00 0.00 H new ATOM 69 N GLY A 6 -4.472 0.764 -12.542 1.00 0.00 N ATOM 70 CA GLY A 6 -3.508 -0.288 -12.302 1.00 0.00 C ATOM 71 C GLY A 6 -2.162 0.251 -11.912 1.00 0.00 C ATOM 72 O GLY A 6 -1.158 -0.466 -11.956 1.00 0.00 O ATOM 0 H GLY A 6 -5.023 1.041 -11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.877 -0.943 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.407 -0.897 -13.200 1.00 0.00 H new ATOM 76 N GLN A 7 -2.118 1.502 -11.533 1.00 0.00 N ATOM 77 CA GLN A 7 -0.864 2.110 -11.212 1.00 0.00 C ATOM 78 C GLN A 7 -0.518 2.066 -9.767 1.00 0.00 C ATOM 79 O GLN A 7 -1.285 2.460 -8.885 1.00 0.00 O ATOM 80 CB GLN A 7 -0.745 3.505 -11.748 1.00 0.00 C ATOM 81 CG GLN A 7 -1.942 4.395 -11.458 1.00 0.00 C ATOM 82 CD GLN A 7 -1.756 5.804 -11.950 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.646 6.311 -11.996 1.00 0.00 O ATOM 84 NE2 GLN A 7 -2.834 6.443 -12.331 1.00 0.00 N ATOM 0 H GLN A 7 -2.931 2.111 -11.441 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.127 1.489 -11.721 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.147 3.968 -11.326 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.598 3.455 -12.827 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.829 3.966 -11.925 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.124 4.412 -10.383 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.744 5.985 -12.277 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.764 7.398 -12.681 1.00 0.00 H new ATOM 93 N VAL A 8 0.634 1.563 -9.555 1.00 0.00 N ATOM 94 CA VAL A 8 1.247 1.468 -8.261 1.00 0.00 C ATOM 95 C VAL A 8 2.545 2.262 -8.311 1.00 0.00 C ATOM 96 O VAL A 8 3.344 2.063 -9.242 1.00 0.00 O ATOM 97 CB VAL A 8 1.565 -0.007 -7.902 1.00 0.00 C ATOM 98 CG1 VAL A 8 2.172 -0.104 -6.526 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.322 -0.879 -7.990 1.00 0.00 C ATOM 0 H VAL A 8 1.215 1.184 -10.303 1.00 0.00 H new ATOM 0 HA VAL A 8 0.568 1.859 -7.504 1.00 0.00 H new ATOM 0 HB VAL A 8 2.289 -0.373 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.387 -1.148 -6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.097 0.472 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.472 0.293 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.579 -1.906 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.432 -0.509 -7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.073 -0.848 -9.005 1.00 0.00 H new ATOM 109 N ILE A 9 2.787 3.152 -7.377 1.00 0.00 N ATOM 110 CA ILE A 9 4.027 3.859 -7.429 1.00 0.00 C ATOM 111 C ILE A 9 5.059 3.175 -6.544 1.00 0.00 C ATOM 112 O ILE A 9 4.904 3.106 -5.322 1.00 0.00 O ATOM 113 CB ILE A 9 3.925 5.391 -7.114 1.00 0.00 C ATOM 114 CG1 ILE A 9 3.050 6.134 -8.156 1.00 0.00 C ATOM 115 CG2 ILE A 9 5.317 6.021 -7.078 1.00 0.00 C ATOM 116 CD1 ILE A 9 1.563 5.816 -8.120 1.00 0.00 C ATOM 0 H ILE A 9 2.165 3.392 -6.605 1.00 0.00 H new ATOM 0 HA ILE A 9 4.351 3.817 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 9 3.452 5.490 -6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.176 7.207 -8.010 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.428 5.901 -9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.229 7.085 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.915 5.539 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.801 5.889 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.049 6.391 -8.890 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.414 4.752 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.159 6.077 -7.142 1.00 0.00 H new ATOM 128 N ALA A 10 6.080 2.637 -7.158 1.00 0.00 N ATOM 129 CA ALA A 10 7.126 1.977 -6.430 1.00 0.00 C ATOM 130 C ALA A 10 8.217 2.967 -6.131 1.00 0.00 C ATOM 131 O ALA A 10 8.942 3.400 -7.029 1.00 0.00 O ATOM 132 CB ALA A 10 7.670 0.795 -7.226 1.00 0.00 C ATOM 0 H ALA A 10 6.208 2.645 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 10 6.727 1.589 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.462 0.307 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.867 0.082 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.070 1.149 -8.176 1.00 0.00 H new ATOM 138 N CYS A 11 8.326 3.344 -4.894 1.00 0.00 N ATOM 139 CA CYS A 11 9.290 4.295 -4.498 1.00 0.00 C ATOM 140 C CYS A 11 10.551 3.584 -4.092 1.00 0.00 C ATOM 141 O CYS A 11 10.510 2.587 -3.388 1.00 0.00 O ATOM 142 CB CYS A 11 8.755 5.102 -3.338 1.00 0.00 C ATOM 143 SG CYS A 11 7.180 5.917 -3.674 1.00 0.00 S ATOM 0 H CYS A 11 7.741 2.993 -4.136 1.00 0.00 H new ATOM 0 HA CYS A 11 9.508 4.967 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.636 4.445 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.492 5.857 -3.064 1.00 0.00 H new ATOM 0 HG CYS A 11 6.342 5.055 -4.170 1.00 0.00 H new ATOM 149 N HIS A 12 11.661 4.063 -4.555 1.00 0.00 N ATOM 150 CA HIS A 12 12.927 3.480 -4.180 1.00 0.00 C ATOM 151 C HIS A 12 13.712 4.489 -3.377 1.00 0.00 C ATOM 152 O HIS A 12 14.850 4.251 -2.997 1.00 0.00 O ATOM 153 CB HIS A 12 13.725 3.015 -5.413 1.00 0.00 C ATOM 154 CG HIS A 12 13.003 2.000 -6.264 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.053 0.637 -6.042 1.00 0.00 N ATOM 156 CD2 HIS A 12 12.200 2.164 -7.341 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.320 0.022 -6.945 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.790 0.922 -7.741 1.00 0.00 N ATOM 0 H HIS A 12 11.726 4.856 -5.194 1.00 0.00 H new ATOM 0 HA HIS A 12 12.742 2.594 -3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.965 3.883 -6.026 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.671 2.588 -5.081 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.576 0.180 -5.295 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.932 3.104 -7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.178 -1.046 -7.019 1.00 0.00 H new ATOM 167 N THR A 13 13.067 5.617 -3.103 1.00 0.00 N ATOM 168 CA THR A 13 13.647 6.711 -2.353 1.00 0.00 C ATOM 169 C THR A 13 12.556 7.362 -1.504 1.00 0.00 C ATOM 170 O THR A 13 11.363 7.303 -1.871 1.00 0.00 O ATOM 171 CB THR A 13 14.256 7.783 -3.305 1.00 0.00 C ATOM 172 OG1 THR A 13 13.279 8.183 -4.283 1.00 0.00 O ATOM 173 CG2 THR A 13 15.515 7.277 -4.005 1.00 0.00 C ATOM 0 H THR A 13 12.109 5.794 -3.404 1.00 0.00 H new ATOM 0 HA THR A 13 14.443 6.316 -1.722 1.00 0.00 H new ATOM 0 HB THR A 13 14.540 8.641 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.668 8.858 -4.877 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.906 8.057 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.267 7.018 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.272 6.395 -4.597 1.00 0.00 H new ATOM 181 N VAL A 14 12.938 7.969 -0.387 1.00 0.00 N ATOM 182 CA VAL A 14 11.973 8.620 0.493 1.00 0.00 C ATOM 183 C VAL A 14 11.410 9.890 -0.174 1.00 0.00 C ATOM 184 O VAL A 14 10.300 10.305 0.103 1.00 0.00 O ATOM 185 CB VAL A 14 12.573 8.950 1.908 1.00 0.00 C ATOM 186 CG1 VAL A 14 13.677 10.001 1.843 1.00 0.00 C ATOM 187 CG2 VAL A 14 11.486 9.358 2.897 1.00 0.00 C ATOM 0 H VAL A 14 13.906 8.025 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 14 11.159 7.914 0.656 1.00 0.00 H new ATOM 0 HB VAL A 14 13.030 8.029 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.057 10.192 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.488 9.638 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.276 10.924 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.938 9.579 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.971 10.244 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.771 8.543 3.008 1.00 0.00 H new ATOM 197 N GLU A 15 12.189 10.467 -1.084 1.00 0.00 N ATOM 198 CA GLU A 15 11.791 11.663 -1.833 1.00 0.00 C ATOM 199 C GLU A 15 10.502 11.394 -2.610 1.00 0.00 C ATOM 200 O GLU A 15 9.518 12.135 -2.490 1.00 0.00 O ATOM 201 CB GLU A 15 12.952 12.034 -2.786 1.00 0.00 C ATOM 202 CG GLU A 15 12.803 13.286 -3.671 1.00 0.00 C ATOM 203 CD GLU A 15 11.749 13.170 -4.749 1.00 0.00 C ATOM 204 OE1 GLU A 15 11.812 12.210 -5.550 1.00 0.00 O ATOM 205 OE2 GLU A 15 10.829 14.010 -4.786 1.00 0.00 O ATOM 0 H GLU A 15 13.117 10.120 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 15 11.594 12.494 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.850 12.160 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.127 11.182 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.562 14.138 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.763 13.500 -4.141 1.00 0.00 H new ATOM 212 N THR A 16 10.501 10.325 -3.367 1.00 0.00 N ATOM 213 CA THR A 16 9.355 9.968 -4.170 1.00 0.00 C ATOM 214 C THR A 16 8.195 9.515 -3.273 1.00 0.00 C ATOM 215 O THR A 16 7.031 9.805 -3.545 1.00 0.00 O ATOM 216 CB THR A 16 9.748 8.895 -5.184 1.00 0.00 C ATOM 217 OG1 THR A 16 10.865 9.401 -5.943 1.00 0.00 O ATOM 218 CG2 THR A 16 8.596 8.583 -6.135 1.00 0.00 C ATOM 0 H THR A 16 11.288 9.681 -3.445 1.00 0.00 H new ATOM 0 HA THR A 16 9.012 10.841 -4.725 1.00 0.00 H new ATOM 0 HB THR A 16 10.005 7.976 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.967 10.361 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.907 7.816 -6.844 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.740 8.223 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.317 9.486 -6.677 1.00 0.00 H new ATOM 226 N TRP A 17 8.542 8.848 -2.189 1.00 0.00 N ATOM 227 CA TRP A 17 7.585 8.453 -1.163 1.00 0.00 C ATOM 228 C TRP A 17 6.856 9.701 -0.615 1.00 0.00 C ATOM 229 O TRP A 17 5.626 9.728 -0.498 1.00 0.00 O ATOM 230 CB TRP A 17 8.356 7.703 -0.065 1.00 0.00 C ATOM 231 CG TRP A 17 7.602 7.420 1.188 1.00 0.00 C ATOM 232 CD1 TRP A 17 7.809 8.009 2.394 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.528 6.496 1.373 1.00 0.00 C ATOM 234 NE1 TRP A 17 6.949 7.507 3.317 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.148 6.578 2.724 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.855 5.609 0.538 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.128 5.811 3.258 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.838 4.850 1.073 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.483 4.958 2.424 1.00 0.00 C ATOM 0 H TRP A 17 9.501 8.561 -1.991 1.00 0.00 H new ATOM 0 HA TRP A 17 6.819 7.794 -1.570 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.705 6.756 -0.477 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.241 8.285 0.191 1.00 0.00 H new ATOM 0 HD1 TRP A 17 8.552 8.768 2.591 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.909 7.782 4.298 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.124 5.518 -0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.856 5.889 4.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.304 4.158 0.439 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.679 4.349 2.809 1.00 0.00 H new ATOM 250 N ASN A 18 7.635 10.726 -0.322 1.00 0.00 N ATOM 251 CA ASN A 18 7.137 12.010 0.156 1.00 0.00 C ATOM 252 C ASN A 18 6.223 12.642 -0.899 1.00 0.00 C ATOM 253 O ASN A 18 5.126 13.098 -0.583 1.00 0.00 O ATOM 254 CB ASN A 18 8.347 12.932 0.446 1.00 0.00 C ATOM 255 CG ASN A 18 8.019 14.318 1.020 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.973 14.916 0.754 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.928 14.841 1.800 1.00 0.00 N ATOM 0 H ASN A 18 8.651 10.692 -0.410 1.00 0.00 H new ATOM 0 HA ASN A 18 6.558 11.870 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.009 12.420 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.905 13.068 -0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.782 15.765 2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.784 14.325 2.003 1.00 0.00 H new ATOM 264 N GLU A 19 6.678 12.612 -2.154 1.00 0.00 N ATOM 265 CA GLU A 19 5.976 13.230 -3.293 1.00 0.00 C ATOM 266 C GLU A 19 4.559 12.640 -3.398 1.00 0.00 C ATOM 267 O GLU A 19 3.573 13.377 -3.452 1.00 0.00 O ATOM 268 CB GLU A 19 6.801 12.937 -4.586 1.00 0.00 C ATOM 269 CG GLU A 19 6.522 13.810 -5.835 1.00 0.00 C ATOM 270 CD GLU A 19 5.137 13.704 -6.454 1.00 0.00 C ATOM 271 OE1 GLU A 19 4.931 12.858 -7.359 1.00 0.00 O ATOM 272 OE2 GLU A 19 4.263 14.518 -6.101 1.00 0.00 O ATOM 0 H GLU A 19 7.552 12.155 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 19 5.885 14.308 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.858 13.035 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.634 11.896 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.694 14.852 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.256 13.553 -6.599 1.00 0.00 H new ATOM 279 N GLN A 20 4.474 11.320 -3.346 1.00 0.00 N ATOM 280 CA GLN A 20 3.243 10.616 -3.476 1.00 0.00 C ATOM 281 C GLN A 20 2.303 10.832 -2.294 1.00 0.00 C ATOM 282 O GLN A 20 1.104 11.038 -2.484 1.00 0.00 O ATOM 283 CB GLN A 20 3.538 9.169 -3.653 1.00 0.00 C ATOM 284 CG GLN A 20 4.314 8.846 -4.918 1.00 0.00 C ATOM 285 CD GLN A 20 3.583 9.231 -6.194 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.353 9.226 -6.261 1.00 0.00 O ATOM 287 NE2 GLN A 20 4.331 9.564 -7.207 1.00 0.00 N ATOM 0 H GLN A 20 5.282 10.713 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 20 2.721 11.009 -4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.105 8.816 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.599 8.616 -3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.273 9.363 -4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.529 7.778 -4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.347 9.557 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.901 9.832 -8.092 1.00 0.00 H new ATOM 296 N LEU A 21 2.831 10.791 -1.077 1.00 0.00 N ATOM 297 CA LEU A 21 2.036 11.000 0.081 1.00 0.00 C ATOM 298 C LEU A 21 1.505 12.400 0.136 1.00 0.00 C ATOM 299 O LEU A 21 0.341 12.606 0.439 1.00 0.00 O ATOM 300 CB LEU A 21 2.830 10.722 1.305 1.00 0.00 C ATOM 301 CG LEU A 21 3.257 9.292 1.586 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.003 9.246 2.903 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.054 8.351 1.619 1.00 0.00 C ATOM 0 H LEU A 21 3.817 10.612 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 21 1.190 10.314 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.731 11.334 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.251 11.069 2.161 1.00 0.00 H new ATOM 0 HG LEU A 21 3.912 8.956 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.312 8.222 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.883 9.886 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.351 9.597 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.392 7.335 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.366 8.668 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.544 8.378 0.656 1.00 0.00 H new ATOM 315 N GLN A 22 2.364 13.355 -0.151 1.00 0.00 N ATOM 316 CA GLN A 22 1.989 14.748 -0.189 1.00 0.00 C ATOM 317 C GLN A 22 0.869 14.931 -1.196 1.00 0.00 C ATOM 318 O GLN A 22 -0.126 15.594 -0.924 1.00 0.00 O ATOM 319 CB GLN A 22 3.186 15.586 -0.593 1.00 0.00 C ATOM 320 CG GLN A 22 2.923 17.068 -0.648 1.00 0.00 C ATOM 321 CD GLN A 22 4.127 17.825 -1.117 1.00 0.00 C ATOM 322 OE1 GLN A 22 4.305 18.048 -2.307 1.00 0.00 O ATOM 323 NE2 GLN A 22 4.969 18.214 -0.205 1.00 0.00 N ATOM 0 H GLN A 22 3.346 13.183 -0.365 1.00 0.00 H new ATOM 0 HA GLN A 22 1.650 15.066 0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.997 15.400 0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.531 15.255 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.085 17.265 -1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.632 17.423 0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.787 18.010 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.811 18.723 -0.472 1.00 0.00 H new ATOM 332 N LYS A 23 1.048 14.306 -2.345 1.00 0.00 N ATOM 333 CA LYS A 23 0.080 14.313 -3.418 1.00 0.00 C ATOM 334 C LYS A 23 -1.275 13.783 -2.926 1.00 0.00 C ATOM 335 O LYS A 23 -2.311 14.425 -3.137 1.00 0.00 O ATOM 336 CB LYS A 23 0.607 13.441 -4.559 1.00 0.00 C ATOM 337 CG LYS A 23 -0.285 13.340 -5.774 1.00 0.00 C ATOM 338 CD LYS A 23 0.340 12.419 -6.804 1.00 0.00 C ATOM 339 CE LYS A 23 -0.515 12.313 -8.042 1.00 0.00 C ATOM 340 NZ LYS A 23 0.090 11.424 -9.053 1.00 0.00 N ATOM 0 H LYS A 23 1.889 13.769 -2.559 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.067 15.334 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.575 13.832 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.780 12.436 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.266 12.962 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.439 14.329 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.328 12.791 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.479 11.428 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.501 11.937 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.659 13.305 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.528 11.377 -9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.020 11.797 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.204 10.471 -8.653 1.00 0.00 H new ATOM 354 N ALA A 24 -1.260 12.635 -2.246 1.00 0.00 N ATOM 355 CA ALA A 24 -2.489 12.019 -1.768 1.00 0.00 C ATOM 356 C ALA A 24 -3.113 12.825 -0.632 1.00 0.00 C ATOM 357 O ALA A 24 -4.331 12.985 -0.573 1.00 0.00 O ATOM 358 CB ALA A 24 -2.231 10.584 -1.332 1.00 0.00 C ATOM 0 H ALA A 24 -0.411 12.118 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.200 12.009 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.161 10.139 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.853 10.009 -2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.495 10.575 -0.528 1.00 0.00 H new ATOM 364 N ASN A 25 -2.269 13.341 0.242 1.00 0.00 N ATOM 365 CA ASN A 25 -2.691 14.126 1.414 1.00 0.00 C ATOM 366 C ASN A 25 -3.394 15.377 0.967 1.00 0.00 C ATOM 367 O ASN A 25 -4.543 15.642 1.340 1.00 0.00 O ATOM 368 CB ASN A 25 -1.441 14.539 2.203 1.00 0.00 C ATOM 369 CG ASN A 25 -1.739 15.257 3.517 1.00 0.00 C ATOM 370 OD1 ASN A 25 -1.915 14.620 4.561 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.751 16.574 3.494 1.00 0.00 N ATOM 0 H ASN A 25 -1.258 13.232 0.168 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.362 13.524 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.848 13.649 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.829 15.189 1.578 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.909 17.098 4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.602 17.070 2.615 1.00 0.00 H new ATOM 378 N GLU A 26 -2.702 16.110 0.138 1.00 0.00 N ATOM 379 CA GLU A 26 -3.166 17.385 -0.389 1.00 0.00 C ATOM 380 C GLU A 26 -4.420 17.225 -1.250 1.00 0.00 C ATOM 381 O GLU A 26 -5.341 18.032 -1.176 1.00 0.00 O ATOM 382 CB GLU A 26 -2.051 18.037 -1.200 1.00 0.00 C ATOM 383 CG GLU A 26 -2.388 19.397 -1.764 1.00 0.00 C ATOM 384 CD GLU A 26 -1.247 19.980 -2.541 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.315 20.541 -1.913 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.253 19.883 -3.785 1.00 0.00 O ATOM 0 H GLU A 26 -1.779 15.841 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.431 18.022 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.168 18.130 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.785 17.374 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.262 19.315 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.655 20.071 -0.950 1.00 0.00 H new ATOM 393 N SER A 27 -4.460 16.187 -2.049 1.00 0.00 N ATOM 394 CA SER A 27 -5.579 15.970 -2.932 1.00 0.00 C ATOM 395 C SER A 27 -6.713 15.206 -2.239 1.00 0.00 C ATOM 396 O SER A 27 -7.737 14.892 -2.872 1.00 0.00 O ATOM 397 CB SER A 27 -5.104 15.235 -4.167 1.00 0.00 C ATOM 398 OG SER A 27 -4.081 15.975 -4.827 1.00 0.00 O ATOM 0 H SER A 27 -3.729 15.478 -2.106 1.00 0.00 H new ATOM 0 HA SER A 27 -5.986 16.939 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.727 14.251 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.941 15.075 -4.847 1.00 0.00 H new ATOM 0 HG SER A 27 -3.205 15.702 -4.482 1.00 0.00 H new ATOM 404 N LYS A 28 -6.518 14.902 -0.937 1.00 0.00 N ATOM 405 CA LYS A 28 -7.509 14.200 -0.109 1.00 0.00 C ATOM 406 C LYS A 28 -7.908 12.872 -0.747 1.00 0.00 C ATOM 407 O LYS A 28 -9.051 12.405 -0.634 1.00 0.00 O ATOM 408 CB LYS A 28 -8.700 15.098 0.133 1.00 0.00 C ATOM 409 CG LYS A 28 -8.323 16.381 0.856 1.00 0.00 C ATOM 410 CD LYS A 28 -9.513 17.279 1.104 1.00 0.00 C ATOM 411 CE LYS A 28 -9.072 18.549 1.803 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.198 19.459 2.096 1.00 0.00 N ATOM 0 H LYS A 28 -5.663 15.140 -0.434 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.067 13.962 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.165 15.345 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.444 14.559 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.855 16.133 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.581 16.921 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.996 17.524 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.251 16.757 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.568 18.290 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.344 19.068 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.841 20.311 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.665 19.731 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.882 18.977 2.713 1.00 0.00 H new ATOM 426 N THR A 29 -6.932 12.258 -1.358 1.00 0.00 N ATOM 427 CA THR A 29 -7.078 11.029 -2.061 1.00 0.00 C ATOM 428 C THR A 29 -6.704 9.885 -1.138 1.00 0.00 C ATOM 429 O THR A 29 -5.822 10.018 -0.276 1.00 0.00 O ATOM 430 CB THR A 29 -6.150 11.021 -3.264 1.00 0.00 C ATOM 431 OG1 THR A 29 -6.316 12.256 -3.966 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.483 9.882 -4.210 1.00 0.00 C ATOM 0 H THR A 29 -5.979 12.621 -1.376 1.00 0.00 H new ATOM 0 HA THR A 29 -8.110 10.917 -2.395 1.00 0.00 H new ATOM 0 HB THR A 29 -5.125 10.893 -2.915 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.723 12.271 -4.746 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.801 9.904 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.379 8.932 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.508 9.991 -4.564 1.00 0.00 H new ATOM 440 N LEU A 30 -7.375 8.807 -1.287 1.00 0.00 N ATOM 441 CA LEU A 30 -7.146 7.654 -0.471 1.00 0.00 C ATOM 442 C LEU A 30 -5.938 6.898 -1.062 1.00 0.00 C ATOM 443 O LEU A 30 -5.827 6.746 -2.288 1.00 0.00 O ATOM 444 CB LEU A 30 -8.451 6.794 -0.429 1.00 0.00 C ATOM 445 CG LEU A 30 -8.522 5.546 0.497 1.00 0.00 C ATOM 446 CD1 LEU A 30 -9.949 5.043 0.552 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.634 4.413 0.006 1.00 0.00 C ATOM 0 H LEU A 30 -8.110 8.688 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.910 7.915 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.269 7.457 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.652 6.457 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.172 5.853 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.002 4.168 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.596 5.827 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.278 4.771 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.718 3.565 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.949 4.111 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.598 4.751 -0.027 1.00 0.00 H new ATOM 459 N VAL A 31 -5.038 6.477 -0.211 1.00 0.00 N ATOM 460 CA VAL A 31 -3.843 5.805 -0.639 1.00 0.00 C ATOM 461 C VAL A 31 -3.675 4.469 0.100 1.00 0.00 C ATOM 462 O VAL A 31 -3.963 4.372 1.289 1.00 0.00 O ATOM 463 CB VAL A 31 -2.594 6.734 -0.454 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.430 7.184 0.986 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.319 6.082 -0.959 1.00 0.00 C ATOM 0 H VAL A 31 -5.115 6.592 0.800 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.931 5.579 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.778 7.620 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.553 7.826 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.316 7.738 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.304 6.312 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.480 6.761 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.140 5.158 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.421 5.858 -2.021 1.00 0.00 H new ATOM 475 N VAL A 32 -3.256 3.449 -0.608 1.00 0.00 N ATOM 476 CA VAL A 32 -3.002 2.158 0.001 1.00 0.00 C ATOM 477 C VAL A 32 -1.548 1.802 -0.229 1.00 0.00 C ATOM 478 O VAL A 32 -1.064 1.838 -1.371 1.00 0.00 O ATOM 479 CB VAL A 32 -3.900 1.043 -0.572 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.694 -0.265 0.190 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.368 1.444 -0.559 1.00 0.00 C ATOM 0 H VAL A 32 -3.082 3.484 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.230 2.234 1.064 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.608 0.889 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.338 -1.037 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.652 -0.575 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.945 -0.117 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.970 0.634 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.681 1.645 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.506 2.341 -1.163 1.00 0.00 H new ATOM 491 N VAL A 33 -0.845 1.479 0.827 1.00 0.00 N ATOM 492 CA VAL A 33 0.568 1.199 0.720 1.00 0.00 C ATOM 493 C VAL A 33 0.875 -0.235 1.112 1.00 0.00 C ATOM 494 O VAL A 33 0.397 -0.723 2.143 1.00 0.00 O ATOM 495 CB VAL A 33 1.405 2.141 1.618 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.892 1.898 1.402 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.049 3.603 1.373 1.00 0.00 C ATOM 0 H VAL A 33 -1.226 1.403 1.770 1.00 0.00 H new ATOM 0 HA VAL A 33 0.837 1.361 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 33 1.167 1.917 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.467 2.568 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.132 0.864 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.144 2.087 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.655 4.238 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.244 3.855 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.006 3.762 1.594 1.00 0.00 H new ATOM 507 N ASP A 34 1.656 -0.891 0.297 1.00 0.00 N ATOM 508 CA ASP A 34 2.127 -2.239 0.564 1.00 0.00 C ATOM 509 C ASP A 34 3.600 -2.223 0.914 1.00 0.00 C ATOM 510 O ASP A 34 4.449 -1.882 0.073 1.00 0.00 O ATOM 511 CB ASP A 34 1.876 -3.157 -0.645 1.00 0.00 C ATOM 512 CG ASP A 34 2.585 -4.504 -0.537 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.374 -5.223 0.439 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.345 -4.850 -1.472 1.00 0.00 O ATOM 0 H ASP A 34 1.992 -0.506 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 34 1.569 -2.632 1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.804 -3.326 -0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.208 -2.651 -1.552 1.00 0.00 H new ATOM 519 N PHE A 35 3.905 -2.527 2.158 1.00 0.00 N ATOM 520 CA PHE A 35 5.256 -2.643 2.596 1.00 0.00 C ATOM 521 C PHE A 35 5.597 -4.116 2.568 1.00 0.00 C ATOM 522 O PHE A 35 5.037 -4.894 3.335 1.00 0.00 O ATOM 523 CB PHE A 35 5.381 -2.139 4.037 1.00 0.00 C ATOM 524 CG PHE A 35 5.027 -0.692 4.271 1.00 0.00 C ATOM 525 CD1 PHE A 35 5.982 0.299 4.128 1.00 0.00 C ATOM 526 CD2 PHE A 35 3.744 -0.328 4.654 1.00 0.00 C ATOM 527 CE1 PHE A 35 5.669 1.625 4.362 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.425 0.995 4.890 1.00 0.00 C ATOM 529 CZ PHE A 35 4.389 1.976 4.743 1.00 0.00 C ATOM 0 H PHE A 35 3.212 -2.699 2.886 1.00 0.00 H new ATOM 0 HA PHE A 35 5.920 -2.059 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.743 -2.754 4.671 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.407 -2.298 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.985 0.033 3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.986 -1.088 4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.426 2.387 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.423 1.264 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.142 3.011 4.925 1.00 0.00 H new ATOM 539 N THR A 36 6.527 -4.493 1.750 1.00 0.00 N ATOM 540 CA THR A 36 6.808 -5.891 1.553 1.00 0.00 C ATOM 541 C THR A 36 8.281 -6.071 1.188 1.00 0.00 C ATOM 542 O THR A 36 9.026 -5.101 1.125 1.00 0.00 O ATOM 543 CB THR A 36 5.895 -6.439 0.410 1.00 0.00 C ATOM 544 OG1 THR A 36 5.999 -7.861 0.298 1.00 0.00 O ATOM 545 CG2 THR A 36 6.281 -5.815 -0.928 1.00 0.00 C ATOM 0 H THR A 36 7.109 -3.857 1.204 1.00 0.00 H new ATOM 0 HA THR A 36 6.605 -6.444 2.470 1.00 0.00 H new ATOM 0 HB THR A 36 4.868 -6.174 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.112 -8.241 0.127 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.635 -6.208 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.166 -4.733 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.319 -6.058 -1.157 1.00 0.00 H new ATOM 553 N ALA A 37 8.696 -7.297 1.001 1.00 0.00 N ATOM 554 CA ALA A 37 10.047 -7.607 0.600 1.00 0.00 C ATOM 555 C ALA A 37 9.999 -8.575 -0.550 1.00 0.00 C ATOM 556 O ALA A 37 9.341 -9.614 -0.459 1.00 0.00 O ATOM 557 CB ALA A 37 10.824 -8.204 1.746 1.00 0.00 C ATOM 0 H ALA A 37 8.102 -8.117 1.123 1.00 0.00 H new ATOM 0 HA ALA A 37 10.551 -6.689 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.839 -8.429 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.858 -7.493 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.337 -9.122 2.077 1.00 0.00 H new ATOM 563 N SER A 38 10.686 -8.253 -1.612 1.00 0.00 N ATOM 564 CA SER A 38 10.689 -9.066 -2.818 1.00 0.00 C ATOM 565 C SER A 38 11.385 -10.437 -2.592 1.00 0.00 C ATOM 566 O SER A 38 11.133 -11.406 -3.320 1.00 0.00 O ATOM 567 CB SER A 38 11.343 -8.272 -3.950 1.00 0.00 C ATOM 568 OG SER A 38 10.723 -6.977 -4.065 1.00 0.00 O ATOM 0 H SER A 38 11.266 -7.416 -1.675 1.00 0.00 H new ATOM 0 HA SER A 38 9.660 -9.297 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.410 -8.158 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.246 -8.816 -4.890 1.00 0.00 H new ATOM 0 HG SER A 38 11.080 -6.381 -3.374 1.00 0.00 H new ATOM 574 N TRP A 39 12.237 -10.513 -1.573 1.00 0.00 N ATOM 575 CA TRP A 39 12.898 -11.770 -1.221 1.00 0.00 C ATOM 576 C TRP A 39 12.008 -12.650 -0.341 1.00 0.00 C ATOM 577 O TRP A 39 12.306 -13.822 -0.105 1.00 0.00 O ATOM 578 CB TRP A 39 14.266 -11.524 -0.536 1.00 0.00 C ATOM 579 CG TRP A 39 14.225 -10.659 0.696 1.00 0.00 C ATOM 580 CD1 TRP A 39 14.568 -9.361 0.755 1.00 0.00 C ATOM 581 CD2 TRP A 39 13.832 -11.031 2.038 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.425 -8.882 2.028 1.00 0.00 N ATOM 583 CE2 TRP A 39 13.971 -9.882 2.834 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.378 -12.212 2.637 1.00 0.00 C ATOM 585 CZ2 TRP A 39 13.673 -9.874 4.190 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.081 -12.202 3.986 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.229 -11.038 4.747 1.00 0.00 C ATOM 0 H TRP A 39 12.486 -9.723 -0.978 1.00 0.00 H new ATOM 0 HA TRP A 39 13.079 -12.302 -2.155 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.698 -12.488 -0.268 1.00 0.00 H new ATOM 0 HB3 TRP A 39 14.938 -11.064 -1.260 1.00 0.00 H new ATOM 0 HD1 TRP A 39 14.909 -8.777 -0.087 1.00 0.00 H new ATOM 0 HE1 TRP A 39 14.626 -7.928 2.326 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.262 -13.114 2.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 13.788 -8.979 4.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.729 -13.106 4.460 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.986 -11.061 5.799 1.00 0.00 H new ATOM 598 N CYS A 40 10.921 -12.100 0.117 1.00 0.00 N ATOM 599 CA CYS A 40 10.040 -12.796 1.026 1.00 0.00 C ATOM 600 C CYS A 40 8.973 -13.564 0.260 1.00 0.00 C ATOM 601 O CYS A 40 8.217 -12.985 -0.517 1.00 0.00 O ATOM 602 CB CYS A 40 9.417 -11.781 1.985 1.00 0.00 C ATOM 603 SG CYS A 40 8.125 -12.424 3.087 1.00 0.00 S ATOM 0 H CYS A 40 10.615 -11.158 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 40 10.608 -13.526 1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.211 -11.354 2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.994 -10.966 1.397 1.00 0.00 H new ATOM 608 N GLY A 41 8.918 -14.868 0.503 1.00 0.00 N ATOM 609 CA GLY A 41 7.978 -15.755 -0.175 1.00 0.00 C ATOM 610 C GLY A 41 6.517 -15.406 0.079 1.00 0.00 C ATOM 611 O GLY A 41 5.803 -15.044 -0.861 1.00 0.00 O ATOM 0 H GLY A 41 9.523 -15.341 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.169 -15.722 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.160 -16.780 0.150 1.00 0.00 H new ATOM 615 N PRO A 42 6.034 -15.489 1.351 1.00 0.00 N ATOM 616 CA PRO A 42 4.639 -15.170 1.694 1.00 0.00 C ATOM 617 C PRO A 42 4.275 -13.760 1.274 1.00 0.00 C ATOM 618 O PRO A 42 3.156 -13.495 0.851 1.00 0.00 O ATOM 619 CB PRO A 42 4.607 -15.288 3.223 1.00 0.00 C ATOM 620 CG PRO A 42 5.728 -16.204 3.552 1.00 0.00 C ATOM 621 CD PRO A 42 6.798 -15.918 2.542 1.00 0.00 C ATOM 0 HA PRO A 42 3.930 -15.827 1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.737 -14.316 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.654 -15.687 3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.090 -16.031 4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.410 -17.245 3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.478 -15.139 2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.403 -16.801 2.336 1.00 0.00 H new ATOM 629 N CYS A 43 5.240 -12.872 1.366 1.00 0.00 N ATOM 630 CA CYS A 43 5.067 -11.483 1.002 1.00 0.00 C ATOM 631 C CYS A 43 4.831 -11.357 -0.504 1.00 0.00 C ATOM 632 O CYS A 43 3.972 -10.604 -0.947 1.00 0.00 O ATOM 633 CB CYS A 43 6.303 -10.699 1.399 1.00 0.00 C ATOM 634 SG CYS A 43 6.784 -10.908 3.142 1.00 0.00 S ATOM 0 H CYS A 43 6.177 -13.096 1.699 1.00 0.00 H new ATOM 0 HA CYS A 43 4.199 -11.082 1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.134 -11.005 0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.127 -9.641 1.206 1.00 0.00 H new ATOM 639 N ARG A 44 5.579 -12.122 -1.271 1.00 0.00 N ATOM 640 CA ARG A 44 5.466 -12.130 -2.711 1.00 0.00 C ATOM 641 C ARG A 44 4.160 -12.812 -3.130 1.00 0.00 C ATOM 642 O ARG A 44 3.585 -12.484 -4.154 1.00 0.00 O ATOM 643 CB ARG A 44 6.748 -12.789 -3.319 1.00 0.00 C ATOM 644 CG ARG A 44 6.826 -12.950 -4.849 1.00 0.00 C ATOM 645 CD ARG A 44 5.950 -14.088 -5.356 1.00 0.00 C ATOM 646 NE ARG A 44 6.328 -15.364 -4.737 1.00 0.00 N ATOM 647 CZ ARG A 44 5.587 -16.474 -4.740 1.00 0.00 C ATOM 648 NH1 ARG A 44 4.401 -16.491 -5.338 1.00 0.00 N ATOM 649 NH2 ARG A 44 6.036 -17.566 -4.140 1.00 0.00 N ATOM 0 H ARG A 44 6.287 -12.760 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 44 5.413 -11.115 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.608 -12.200 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.858 -13.778 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.520 -12.019 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.860 -13.133 -5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.904 -13.871 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.040 -14.165 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 44 7.232 -15.406 -4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.050 -15.652 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.841 -17.343 -5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.945 -17.557 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.473 -18.416 -4.140 1.00 0.00 H new ATOM 663 N PHE A 45 3.699 -13.748 -2.327 1.00 0.00 N ATOM 664 CA PHE A 45 2.474 -14.467 -2.616 1.00 0.00 C ATOM 665 C PHE A 45 1.225 -13.647 -2.226 1.00 0.00 C ATOM 666 O PHE A 45 0.164 -13.767 -2.854 1.00 0.00 O ATOM 667 CB PHE A 45 2.478 -15.833 -1.901 1.00 0.00 C ATOM 668 CG PHE A 45 1.258 -16.669 -2.173 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.153 -17.402 -3.341 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.210 -16.708 -1.264 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.031 -18.161 -3.600 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.916 -17.461 -1.518 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.005 -18.189 -2.687 1.00 0.00 C ATOM 0 H PHE A 45 4.158 -14.031 -1.461 1.00 0.00 H new ATOM 0 HA PHE A 45 2.428 -14.633 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.363 -16.390 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.561 -15.669 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.959 -17.380 -4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.278 -16.142 -0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.037 -18.732 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.726 -17.481 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.886 -18.781 -2.888 1.00 0.00 H new ATOM 683 N ILE A 46 1.351 -12.800 -1.225 1.00 0.00 N ATOM 684 CA ILE A 46 0.203 -12.042 -0.742 1.00 0.00 C ATOM 685 C ILE A 46 0.036 -10.723 -1.543 1.00 0.00 C ATOM 686 O ILE A 46 -1.081 -10.220 -1.718 1.00 0.00 O ATOM 687 CB ILE A 46 0.341 -11.742 0.800 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.941 -11.174 1.384 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.504 -10.823 1.101 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.073 -12.159 1.376 1.00 0.00 C ATOM 0 H ILE A 46 2.224 -12.617 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.690 -12.648 -0.894 1.00 0.00 H new ATOM 0 HB ILE A 46 0.538 -12.701 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.755 -10.850 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.232 -10.289 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.559 -10.645 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.431 -11.286 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.362 -9.874 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.961 -11.696 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.282 -12.464 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.799 -13.033 1.966 1.00 0.00 H new ATOM 702 N ALA A 47 1.143 -10.240 -2.089 1.00 0.00 N ATOM 703 CA ALA A 47 1.204 -8.972 -2.837 1.00 0.00 C ATOM 704 C ALA A 47 0.353 -8.902 -4.159 1.00 0.00 C ATOM 705 O ALA A 47 -0.206 -7.848 -4.441 1.00 0.00 O ATOM 706 CB ALA A 47 2.650 -8.588 -3.105 1.00 0.00 C ATOM 0 H ALA A 47 2.042 -10.718 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 47 0.727 -8.244 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.681 -7.649 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.176 -8.468 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.132 -9.371 -3.691 1.00 0.00 H new ATOM 712 N PRO A 48 0.258 -10.000 -5.004 1.00 0.00 N ATOM 713 CA PRO A 48 -0.518 -9.989 -6.279 1.00 0.00 C ATOM 714 C PRO A 48 -1.911 -9.373 -6.166 1.00 0.00 C ATOM 715 O PRO A 48 -2.367 -8.671 -7.073 1.00 0.00 O ATOM 716 CB PRO A 48 -0.643 -11.467 -6.616 1.00 0.00 C ATOM 717 CG PRO A 48 0.599 -12.063 -6.083 1.00 0.00 C ATOM 718 CD PRO A 48 0.926 -11.301 -4.830 1.00 0.00 C ATOM 0 HA PRO A 48 -0.015 -9.378 -7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.527 -11.908 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.732 -11.625 -7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.461 -13.123 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.410 -11.987 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.560 -11.819 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.002 -11.181 -4.708 1.00 0.00 H new ATOM 726 N PHE A 49 -2.572 -9.609 -5.050 1.00 0.00 N ATOM 727 CA PHE A 49 -3.912 -9.097 -4.840 1.00 0.00 C ATOM 728 C PHE A 49 -3.920 -7.554 -4.822 1.00 0.00 C ATOM 729 O PHE A 49 -4.858 -6.921 -5.298 1.00 0.00 O ATOM 730 CB PHE A 49 -4.516 -9.678 -3.558 1.00 0.00 C ATOM 731 CG PHE A 49 -5.921 -9.242 -3.318 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.966 -9.849 -3.984 1.00 0.00 C ATOM 733 CD2 PHE A 49 -6.195 -8.218 -2.449 1.00 0.00 C ATOM 734 CE1 PHE A 49 -8.264 -9.439 -3.779 1.00 0.00 C ATOM 735 CE2 PHE A 49 -7.479 -7.805 -2.242 1.00 0.00 C ATOM 736 CZ PHE A 49 -8.522 -8.412 -2.906 1.00 0.00 C ATOM 0 H PHE A 49 -2.201 -10.154 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.535 -9.415 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.485 -10.766 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.901 -9.382 -2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.763 -10.655 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.386 -7.733 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.075 -9.923 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.679 -6.997 -1.553 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.537 -8.082 -2.741 1.00 0.00 H new ATOM 746 N PHE A 50 -2.851 -6.972 -4.311 1.00 0.00 N ATOM 747 CA PHE A 50 -2.681 -5.521 -4.249 1.00 0.00 C ATOM 748 C PHE A 50 -2.580 -4.944 -5.662 1.00 0.00 C ATOM 749 O PHE A 50 -3.057 -3.842 -5.935 1.00 0.00 O ATOM 750 CB PHE A 50 -1.431 -5.196 -3.408 1.00 0.00 C ATOM 751 CG PHE A 50 -1.074 -3.746 -3.286 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.705 -2.937 -2.361 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.081 -3.196 -4.083 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.356 -1.610 -2.237 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.263 -1.870 -3.964 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.373 -1.077 -3.039 1.00 0.00 C ATOM 0 H PHE A 50 -2.065 -7.493 -3.922 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.546 -5.061 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.579 -5.598 -2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.581 -5.723 -3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.479 -3.348 -1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.428 -3.817 -4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.855 -0.987 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.032 -1.452 -4.597 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.101 -0.036 -2.942 1.00 0.00 H new ATOM 766 N ALA A 51 -1.989 -5.711 -6.560 1.00 0.00 N ATOM 767 CA ALA A 51 -1.857 -5.294 -7.946 1.00 0.00 C ATOM 768 C ALA A 51 -3.226 -5.313 -8.631 1.00 0.00 C ATOM 769 O ALA A 51 -3.506 -4.505 -9.518 1.00 0.00 O ATOM 770 CB ALA A 51 -0.865 -6.184 -8.683 1.00 0.00 C ATOM 0 H ALA A 51 -1.592 -6.628 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.472 -4.275 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.781 -5.855 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.110 -6.119 -8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.214 -7.216 -8.657 1.00 0.00 H new ATOM 776 N ASP A 52 -4.079 -6.222 -8.193 1.00 0.00 N ATOM 777 CA ASP A 52 -5.440 -6.336 -8.731 1.00 0.00 C ATOM 778 C ASP A 52 -6.254 -5.174 -8.251 1.00 0.00 C ATOM 779 O ASP A 52 -6.998 -4.553 -9.018 1.00 0.00 O ATOM 780 CB ASP A 52 -6.083 -7.633 -8.271 1.00 0.00 C ATOM 781 CG ASP A 52 -7.427 -7.903 -8.932 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.473 -8.049 -10.175 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.455 -7.970 -8.218 1.00 0.00 O ATOM 0 H ASP A 52 -3.860 -6.899 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.396 -6.336 -9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.408 -8.461 -8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.217 -7.601 -7.190 1.00 0.00 H new ATOM 788 N LEU A 53 -6.085 -4.878 -6.977 1.00 0.00 N ATOM 789 CA LEU A 53 -6.695 -3.749 -6.327 1.00 0.00 C ATOM 790 C LEU A 53 -6.381 -2.461 -7.063 1.00 0.00 C ATOM 791 O LEU A 53 -7.260 -1.616 -7.256 1.00 0.00 O ATOM 792 CB LEU A 53 -6.180 -3.656 -4.899 1.00 0.00 C ATOM 793 CG LEU A 53 -6.611 -4.728 -3.925 1.00 0.00 C ATOM 794 CD1 LEU A 53 -6.018 -4.452 -2.551 1.00 0.00 C ATOM 795 CD2 LEU A 53 -8.127 -4.796 -3.840 1.00 0.00 C ATOM 0 H LEU A 53 -5.502 -5.436 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.776 -3.889 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.091 -3.654 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.487 -2.692 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.244 -5.690 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.334 -5.230 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.930 -4.446 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.365 -3.483 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.417 -5.574 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.516 -3.835 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.537 -5.028 -4.823 1.00 0.00 H new ATOM 807 N ALA A 54 -5.136 -2.334 -7.484 1.00 0.00 N ATOM 808 CA ALA A 54 -4.675 -1.169 -8.210 1.00 0.00 C ATOM 809 C ALA A 54 -5.458 -0.955 -9.490 1.00 0.00 C ATOM 810 O ALA A 54 -5.716 0.179 -9.883 1.00 0.00 O ATOM 811 CB ALA A 54 -3.194 -1.279 -8.508 1.00 0.00 C ATOM 0 H ALA A 54 -4.415 -3.039 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.843 -0.301 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.866 -0.394 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.639 -1.355 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.009 -2.167 -9.112 1.00 0.00 H new ATOM 817 N LYS A 55 -5.850 -2.039 -10.143 1.00 0.00 N ATOM 818 CA LYS A 55 -6.585 -1.907 -11.383 1.00 0.00 C ATOM 819 C LYS A 55 -8.053 -1.593 -11.085 1.00 0.00 C ATOM 820 O LYS A 55 -8.715 -0.892 -11.837 1.00 0.00 O ATOM 821 CB LYS A 55 -6.471 -3.178 -12.230 1.00 0.00 C ATOM 822 CG LYS A 55 -6.990 -3.009 -13.652 1.00 0.00 C ATOM 823 CD LYS A 55 -6.957 -4.314 -14.426 1.00 0.00 C ATOM 824 CE LYS A 55 -7.308 -4.104 -15.901 1.00 0.00 C ATOM 825 NZ LYS A 55 -8.630 -3.455 -16.106 1.00 0.00 N ATOM 0 H LYS A 55 -5.675 -2.997 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.153 -1.086 -11.955 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.427 -3.488 -12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.024 -3.981 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.012 -2.630 -13.623 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.388 -2.263 -14.172 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.965 -4.759 -14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.659 -5.019 -13.981 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.535 -3.493 -16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.302 -5.068 -16.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.985 -3.683 -17.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.302 -3.803 -15.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.529 -2.424 -16.012 1.00 0.00 H new ATOM 839 N LYS A 56 -8.537 -2.095 -9.961 1.00 0.00 N ATOM 840 CA LYS A 56 -9.929 -1.915 -9.566 1.00 0.00 C ATOM 841 C LYS A 56 -10.220 -0.476 -9.189 1.00 0.00 C ATOM 842 O LYS A 56 -11.279 0.064 -9.531 1.00 0.00 O ATOM 843 CB LYS A 56 -10.265 -2.823 -8.391 1.00 0.00 C ATOM 844 CG LYS A 56 -10.125 -4.298 -8.699 1.00 0.00 C ATOM 845 CD LYS A 56 -10.376 -5.158 -7.477 1.00 0.00 C ATOM 846 CE LYS A 56 -11.789 -5.006 -6.940 1.00 0.00 C ATOM 847 NZ LYS A 56 -12.010 -5.834 -5.741 1.00 0.00 N ATOM 0 H LYS A 56 -7.982 -2.636 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.549 -2.178 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.614 -2.573 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.288 -2.624 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.827 -4.572 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.124 -4.495 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.197 -6.203 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.663 -4.892 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.976 -3.960 -6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.504 -5.287 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.985 -5.703 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.856 -6.835 -5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.345 -5.549 -4.994 1.00 0.00 H new ATOM 861 N LEU A 57 -9.291 0.145 -8.498 1.00 0.00 N ATOM 862 CA LEU A 57 -9.465 1.486 -8.049 1.00 0.00 C ATOM 863 C LEU A 57 -8.474 2.438 -8.712 1.00 0.00 C ATOM 864 O LEU A 57 -7.329 2.561 -8.293 1.00 0.00 O ATOM 865 CB LEU A 57 -9.377 1.519 -6.544 1.00 0.00 C ATOM 866 CG LEU A 57 -10.492 0.757 -5.828 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.198 0.616 -4.344 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.832 1.459 -6.021 1.00 0.00 C ATOM 0 H LEU A 57 -8.399 -0.275 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.453 1.838 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.416 1.104 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.394 2.558 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.543 -0.239 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.009 0.070 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.263 0.072 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.110 1.605 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.613 0.901 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.776 2.468 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.066 1.510 -7.084 1.00 0.00 H new ATOM 880 N PRO A 58 -8.909 3.094 -9.794 1.00 0.00 N ATOM 881 CA PRO A 58 -8.071 4.017 -10.566 1.00 0.00 C ATOM 882 C PRO A 58 -7.831 5.354 -9.852 1.00 0.00 C ATOM 883 O PRO A 58 -6.816 6.009 -10.076 1.00 0.00 O ATOM 884 CB PRO A 58 -8.893 4.246 -11.839 1.00 0.00 C ATOM 885 CG PRO A 58 -10.304 4.053 -11.403 1.00 0.00 C ATOM 886 CD PRO A 58 -10.259 2.961 -10.372 1.00 0.00 C ATOM 0 HA PRO A 58 -7.075 3.607 -10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.734 5.247 -12.241 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.618 3.540 -12.623 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.715 4.972 -10.984 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.940 3.774 -12.243 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.034 3.089 -9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.410 1.979 -10.820 1.00 0.00 H new ATOM 894 N ASN A 59 -8.751 5.747 -8.986 1.00 0.00 N ATOM 895 CA ASN A 59 -8.649 7.031 -8.299 1.00 0.00 C ATOM 896 C ASN A 59 -7.968 6.864 -6.939 1.00 0.00 C ATOM 897 O ASN A 59 -7.729 7.820 -6.220 1.00 0.00 O ATOM 898 CB ASN A 59 -10.043 7.697 -8.191 1.00 0.00 C ATOM 899 CG ASN A 59 -10.045 9.091 -7.556 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.216 9.247 -6.345 1.00 0.00 O ATOM 901 ND2 ASN A 59 -9.863 10.108 -8.368 1.00 0.00 N ATOM 0 H ASN A 59 -9.576 5.199 -8.740 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.019 7.701 -8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.474 7.768 -9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.696 7.047 -7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.861 11.060 -8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.724 9.946 -9.365 1.00 0.00 H new ATOM 908 N VAL A 60 -7.643 5.639 -6.602 1.00 0.00 N ATOM 909 CA VAL A 60 -6.918 5.356 -5.382 1.00 0.00 C ATOM 910 C VAL A 60 -5.440 5.264 -5.706 1.00 0.00 C ATOM 911 O VAL A 60 -5.055 4.656 -6.705 1.00 0.00 O ATOM 912 CB VAL A 60 -7.414 4.056 -4.683 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.558 3.719 -3.465 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.859 4.219 -4.255 1.00 0.00 C ATOM 0 H VAL A 60 -7.870 4.815 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.098 6.168 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.330 3.238 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.930 2.806 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.524 3.572 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.607 4.538 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.199 3.306 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.940 5.054 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.478 4.414 -5.131 1.00 0.00 H new ATOM 924 N LEU A 61 -4.630 5.889 -4.904 1.00 0.00 N ATOM 925 CA LEU A 61 -3.213 5.912 -5.139 1.00 0.00 C ATOM 926 C LEU A 61 -2.606 4.694 -4.428 1.00 0.00 C ATOM 927 O LEU A 61 -2.845 4.477 -3.241 1.00 0.00 O ATOM 928 CB LEU A 61 -2.643 7.258 -4.590 1.00 0.00 C ATOM 929 CG LEU A 61 -1.215 7.712 -5.024 1.00 0.00 C ATOM 930 CD1 LEU A 61 -0.123 6.762 -4.577 1.00 0.00 C ATOM 931 CD2 LEU A 61 -1.156 7.942 -6.527 1.00 0.00 C ATOM 0 H LEU A 61 -4.929 6.396 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.968 5.855 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.339 8.048 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.652 7.199 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.023 8.656 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.844 7.137 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.128 6.688 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.299 5.777 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.151 8.258 -6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.404 7.016 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.871 8.717 -6.805 1.00 0.00 H new ATOM 943 N PHE A 62 -1.874 3.885 -5.155 1.00 0.00 N ATOM 944 CA PHE A 62 -1.241 2.712 -4.582 1.00 0.00 C ATOM 945 C PHE A 62 0.256 2.873 -4.580 1.00 0.00 C ATOM 946 O PHE A 62 0.829 3.454 -5.501 1.00 0.00 O ATOM 947 CB PHE A 62 -1.635 1.438 -5.321 1.00 0.00 C ATOM 948 CG PHE A 62 -3.104 1.110 -5.239 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.005 1.637 -6.146 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.576 0.270 -4.248 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.348 1.335 -6.062 1.00 0.00 C ATOM 952 CE2 PHE A 62 -4.917 -0.036 -4.158 1.00 0.00 C ATOM 953 CZ PHE A 62 -5.805 0.495 -5.064 1.00 0.00 C ATOM 0 H PHE A 62 -1.699 4.015 -6.151 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.592 2.619 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.353 1.537 -6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.064 0.603 -4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.653 2.292 -6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.884 -0.153 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.042 1.754 -6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.270 -0.692 -3.376 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.856 0.256 -4.996 1.00 0.00 H new ATOM 963 N LEU A 63 0.874 2.377 -3.559 1.00 0.00 N ATOM 964 CA LEU A 63 2.306 2.498 -3.369 1.00 0.00 C ATOM 965 C LEU A 63 2.944 1.184 -3.023 1.00 0.00 C ATOM 966 O LEU A 63 2.433 0.425 -2.194 1.00 0.00 O ATOM 967 CB LEU A 63 2.598 3.543 -2.311 1.00 0.00 C ATOM 968 CG LEU A 63 2.397 4.977 -2.756 1.00 0.00 C ATOM 969 CD1 LEU A 63 2.316 5.901 -1.557 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.572 5.399 -3.597 1.00 0.00 C ATOM 0 H LEU A 63 0.402 1.865 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 63 2.745 2.817 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.960 3.353 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.629 3.423 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 63 1.469 5.038 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.172 6.926 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.477 5.606 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.241 5.836 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.435 6.431 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.487 5.322 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.646 4.751 -4.470 1.00 0.00 H new ATOM 982 N LYS A 64 4.056 0.926 -3.652 1.00 0.00 N ATOM 983 CA LYS A 64 4.785 -0.295 -3.464 1.00 0.00 C ATOM 984 C LYS A 64 6.083 0.034 -2.762 1.00 0.00 C ATOM 985 O LYS A 64 6.915 0.775 -3.302 1.00 0.00 O ATOM 986 CB LYS A 64 5.088 -0.919 -4.829 1.00 0.00 C ATOM 987 CG LYS A 64 5.671 -2.314 -4.787 1.00 0.00 C ATOM 988 CD LYS A 64 4.677 -3.305 -4.219 1.00 0.00 C ATOM 989 CE LYS A 64 5.233 -4.706 -4.237 1.00 0.00 C ATOM 990 NZ LYS A 64 4.257 -5.684 -3.731 1.00 0.00 N ATOM 0 H LYS A 64 4.487 1.567 -4.318 1.00 0.00 H new ATOM 0 HA LYS A 64 4.202 -0.999 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.166 -0.946 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.782 -0.269 -5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.961 -2.621 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.577 -2.315 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.424 -3.025 -3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.754 -3.270 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.520 -4.971 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.137 -4.747 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.720 -6.608 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.888 -5.363 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.472 -5.773 -4.408 1.00 0.00 H new ATOM 1004 N VAL A 65 6.245 -0.467 -1.570 1.00 0.00 N ATOM 1005 CA VAL A 65 7.441 -0.220 -0.814 1.00 0.00 C ATOM 1006 C VAL A 65 8.159 -1.516 -0.521 1.00 0.00 C ATOM 1007 O VAL A 65 7.626 -2.403 0.166 1.00 0.00 O ATOM 1008 CB VAL A 65 7.130 0.512 0.527 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.395 0.726 1.354 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.450 1.843 0.260 1.00 0.00 C ATOM 0 H VAL A 65 5.558 -1.054 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 65 8.080 0.423 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 65 6.456 -0.124 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.141 1.239 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.846 -0.239 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.102 1.331 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.240 2.341 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.105 2.472 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.516 1.673 -0.276 1.00 0.00 H new ATOM 1020 N ASP A 66 9.351 -1.641 -1.039 1.00 0.00 N ATOM 1021 CA ASP A 66 10.170 -2.773 -0.740 1.00 0.00 C ATOM 1022 C ASP A 66 10.999 -2.422 0.458 1.00 0.00 C ATOM 1023 O ASP A 66 11.898 -1.575 0.401 1.00 0.00 O ATOM 1024 CB ASP A 66 11.040 -3.183 -1.916 1.00 0.00 C ATOM 1025 CG ASP A 66 11.852 -4.443 -1.645 1.00 0.00 C ATOM 1026 OD1 ASP A 66 11.332 -5.569 -1.861 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.024 -4.333 -1.247 1.00 0.00 O ATOM 0 H ASP A 66 9.775 -0.965 -1.674 1.00 0.00 H new ATOM 0 HA ASP A 66 9.539 -3.637 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.408 -3.345 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.718 -2.366 -2.161 1.00 0.00 H new ATOM 1032 N THR A 67 10.661 -3.035 1.544 1.00 0.00 N ATOM 1033 CA THR A 67 11.241 -2.771 2.837 1.00 0.00 C ATOM 1034 C THR A 67 12.704 -3.204 2.956 1.00 0.00 C ATOM 1035 O THR A 67 13.368 -2.887 3.943 1.00 0.00 O ATOM 1036 CB THR A 67 10.377 -3.383 3.953 1.00 0.00 C ATOM 1037 OG1 THR A 67 10.121 -4.761 3.653 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.052 -2.646 4.070 1.00 0.00 C ATOM 0 H THR A 67 9.947 -3.763 1.565 1.00 0.00 H new ATOM 0 HA THR A 67 11.251 -1.687 2.955 1.00 0.00 H new ATOM 0 HB THR A 67 10.914 -3.296 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.706 -4.831 2.768 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.455 -3.094 4.865 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.238 -1.598 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.511 -2.717 3.126 1.00 0.00 H new ATOM 1046 N ASP A 68 13.199 -3.933 1.973 1.00 0.00 N ATOM 1047 CA ASP A 68 14.595 -4.325 1.972 1.00 0.00 C ATOM 1048 C ASP A 68 15.413 -3.127 1.548 1.00 0.00 C ATOM 1049 O ASP A 68 16.477 -2.839 2.113 1.00 0.00 O ATOM 1050 CB ASP A 68 14.828 -5.486 1.019 1.00 0.00 C ATOM 1051 CG ASP A 68 16.239 -6.042 1.082 1.00 0.00 C ATOM 1052 OD1 ASP A 68 16.527 -6.847 1.997 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.065 -5.726 0.197 1.00 0.00 O ATOM 0 H ASP A 68 12.660 -4.263 1.172 1.00 0.00 H new ATOM 0 HA ASP A 68 14.890 -4.654 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.121 -6.283 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.619 -5.158 0.001 1.00 0.00 H new ATOM 1058 N GLU A 69 14.891 -2.419 0.550 1.00 0.00 N ATOM 1059 CA GLU A 69 15.463 -1.201 0.071 1.00 0.00 C ATOM 1060 C GLU A 69 15.198 -0.068 1.050 1.00 0.00 C ATOM 1061 O GLU A 69 16.122 0.473 1.673 1.00 0.00 O ATOM 1062 CB GLU A 69 14.837 -0.825 -1.259 1.00 0.00 C ATOM 1063 CG GLU A 69 15.005 -1.829 -2.361 1.00 0.00 C ATOM 1064 CD GLU A 69 14.521 -1.305 -3.693 1.00 0.00 C ATOM 1065 OE1 GLU A 69 13.320 -1.010 -3.841 1.00 0.00 O ATOM 1066 OE2 GLU A 69 15.343 -1.159 -4.620 1.00 0.00 O ATOM 0 H GLU A 69 14.043 -2.696 0.054 1.00 0.00 H new ATOM 0 HA GLU A 69 16.537 -1.353 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.771 -0.657 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.265 0.123 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.057 -2.104 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.457 -2.737 -2.109 1.00 0.00 H new ATOM 1073 N LEU A 70 13.924 0.268 1.207 1.00 0.00 N ATOM 1074 CA LEU A 70 13.493 1.349 2.026 1.00 0.00 C ATOM 1075 C LEU A 70 13.323 0.922 3.473 1.00 0.00 C ATOM 1076 O LEU A 70 12.291 1.186 4.109 1.00 0.00 O ATOM 1077 CB LEU A 70 12.198 1.910 1.469 1.00 0.00 C ATOM 1078 CG LEU A 70 12.288 2.625 0.117 1.00 0.00 C ATOM 1079 CD1 LEU A 70 10.929 3.159 -0.292 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.303 3.759 0.169 1.00 0.00 C ATOM 0 H LEU A 70 13.158 -0.227 0.750 1.00 0.00 H new ATOM 0 HA LEU A 70 14.259 2.125 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.484 1.092 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.788 2.609 2.198 1.00 0.00 H new ATOM 0 HG LEU A 70 12.620 1.900 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.011 3.664 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.223 2.333 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.574 3.865 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.349 4.251 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.003 4.481 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.285 3.357 0.419 1.00 0.00 H new ATOM 1092 N LYS A 71 14.353 0.311 4.000 1.00 0.00 N ATOM 1093 CA LYS A 71 14.357 -0.180 5.359 1.00 0.00 C ATOM 1094 C LYS A 71 14.279 0.951 6.384 1.00 0.00 C ATOM 1095 O LYS A 71 13.733 0.763 7.479 1.00 0.00 O ATOM 1096 CB LYS A 71 15.560 -1.094 5.604 1.00 0.00 C ATOM 1097 CG LYS A 71 16.911 -0.464 5.329 1.00 0.00 C ATOM 1098 CD LYS A 71 18.012 -1.484 5.503 1.00 0.00 C ATOM 1099 CE LYS A 71 19.365 -0.905 5.159 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.434 -1.922 5.213 1.00 0.00 N ATOM 0 H LYS A 71 15.222 0.137 3.495 1.00 0.00 H new ATOM 0 HA LYS A 71 13.454 -0.775 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.537 -1.429 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.456 -1.981 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.934 -0.064 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.073 0.375 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.019 -1.841 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.813 -2.347 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.329 -0.470 4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.599 -0.096 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.344 -1.482 4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.487 -2.320 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.225 -2.682 4.534 1.00 0.00 H new ATOM 1114 N SER A 72 14.787 2.120 6.032 1.00 0.00 N ATOM 1115 CA SER A 72 14.739 3.254 6.927 1.00 0.00 C ATOM 1116 C SER A 72 13.307 3.777 7.015 1.00 0.00 C ATOM 1117 O SER A 72 12.824 4.115 8.096 1.00 0.00 O ATOM 1118 CB SER A 72 15.675 4.340 6.450 1.00 0.00 C ATOM 1119 OG SER A 72 16.987 3.823 6.247 1.00 0.00 O ATOM 0 H SER A 72 15.235 2.304 5.135 1.00 0.00 H new ATOM 0 HA SER A 72 15.062 2.941 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.300 4.767 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.706 5.147 7.182 1.00 0.00 H new ATOM 0 HG SER A 72 17.577 4.541 5.937 1.00 0.00 H new ATOM 1125 N VAL A 73 12.624 3.801 5.869 1.00 0.00 N ATOM 1126 CA VAL A 73 11.226 4.217 5.806 1.00 0.00 C ATOM 1127 C VAL A 73 10.382 3.217 6.585 1.00 0.00 C ATOM 1128 O VAL A 73 9.512 3.589 7.367 1.00 0.00 O ATOM 1129 CB VAL A 73 10.716 4.295 4.335 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.260 4.744 4.276 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.593 5.222 3.508 1.00 0.00 C ATOM 0 H VAL A 73 13.021 3.535 4.968 1.00 0.00 H new ATOM 0 HA VAL A 73 11.141 5.213 6.241 1.00 0.00 H new ATOM 0 HB VAL A 73 10.776 3.293 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.935 4.788 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.638 4.034 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.165 5.731 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.218 5.261 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.574 6.223 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.617 4.848 3.505 1.00 0.00 H new ATOM 1141 N ALA A 74 10.683 1.941 6.382 1.00 0.00 N ATOM 1142 CA ALA A 74 10.012 0.864 7.080 1.00 0.00 C ATOM 1143 C ALA A 74 10.142 1.041 8.590 1.00 0.00 C ATOM 1144 O ALA A 74 9.153 1.018 9.304 1.00 0.00 O ATOM 1145 CB ALA A 74 10.588 -0.474 6.656 1.00 0.00 C ATOM 0 H ALA A 74 11.400 1.628 5.728 1.00 0.00 H new ATOM 0 HA ALA A 74 8.954 0.889 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.075 -1.276 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.451 -0.605 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.652 -0.504 6.893 1.00 0.00 H new ATOM 1151 N SER A 75 11.365 1.255 9.051 1.00 0.00 N ATOM 1152 CA SER A 75 11.642 1.455 10.468 1.00 0.00 C ATOM 1153 C SER A 75 10.904 2.678 11.013 1.00 0.00 C ATOM 1154 O SER A 75 10.353 2.650 12.119 1.00 0.00 O ATOM 1155 CB SER A 75 13.136 1.634 10.675 1.00 0.00 C ATOM 1156 OG SER A 75 13.859 0.515 10.184 1.00 0.00 O ATOM 0 H SER A 75 12.193 1.295 8.456 1.00 0.00 H new ATOM 0 HA SER A 75 11.292 0.575 11.008 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.471 2.538 10.167 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.345 1.769 11.736 1.00 0.00 H new ATOM 0 HG SER A 75 13.832 0.512 9.204 1.00 0.00 H new ATOM 1162 N ASP A 76 10.882 3.737 10.221 1.00 0.00 N ATOM 1163 CA ASP A 76 10.246 4.996 10.598 1.00 0.00 C ATOM 1164 C ASP A 76 8.739 4.806 10.785 1.00 0.00 C ATOM 1165 O ASP A 76 8.135 5.364 11.705 1.00 0.00 O ATOM 1166 CB ASP A 76 10.526 6.041 9.517 1.00 0.00 C ATOM 1167 CG ASP A 76 9.938 7.395 9.815 1.00 0.00 C ATOM 1168 OD1 ASP A 76 10.604 8.201 10.506 1.00 0.00 O ATOM 1169 OD2 ASP A 76 8.831 7.688 9.330 1.00 0.00 O ATOM 0 H ASP A 76 11.306 3.751 9.293 1.00 0.00 H new ATOM 0 HA ASP A 76 10.658 5.338 11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.604 6.143 9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.128 5.683 8.567 1.00 0.00 H new ATOM 1174 N TRP A 77 8.152 3.979 9.947 1.00 0.00 N ATOM 1175 CA TRP A 77 6.735 3.667 10.016 1.00 0.00 C ATOM 1176 C TRP A 77 6.452 2.456 10.906 1.00 0.00 C ATOM 1177 O TRP A 77 5.325 1.939 10.932 1.00 0.00 O ATOM 1178 CB TRP A 77 6.146 3.487 8.618 1.00 0.00 C ATOM 1179 CG TRP A 77 6.028 4.774 7.850 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.035 5.500 7.288 1.00 0.00 C ATOM 1181 CD2 TRP A 77 4.816 5.482 7.554 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.530 6.622 6.685 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.169 6.631 6.828 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.466 5.253 7.837 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.223 7.550 6.382 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.530 6.167 7.392 1.00 0.00 C ATOM 1187 CH2 TRP A 77 2.912 7.300 6.673 1.00 0.00 C ATOM 0 H TRP A 77 8.645 3.500 9.193 1.00 0.00 H new ATOM 0 HA TRP A 77 6.239 4.518 10.482 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.770 2.793 8.055 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.159 3.032 8.703 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.080 5.230 7.314 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.080 7.336 6.207 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.161 4.379 8.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.515 8.429 5.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.484 6.001 7.605 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.155 7.994 6.339 1.00 0.00 H new ATOM 1198 N ALA A 78 7.493 2.017 11.637 1.00 0.00 N ATOM 1199 CA ALA A 78 7.410 0.911 12.603 1.00 0.00 C ATOM 1200 C ALA A 78 7.028 -0.409 11.928 1.00 0.00 C ATOM 1201 O ALA A 78 6.468 -1.315 12.564 1.00 0.00 O ATOM 1202 CB ALA A 78 6.441 1.262 13.734 1.00 0.00 C ATOM 0 H ALA A 78 8.425 2.426 11.571 1.00 0.00 H new ATOM 0 HA ALA A 78 8.401 0.768 13.033 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.391 0.433 14.440 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.791 2.157 14.249 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.450 1.446 13.320 1.00 0.00 H new ATOM 1208 N ILE A 79 7.371 -0.529 10.663 1.00 0.00 N ATOM 1209 CA ILE A 79 7.085 -1.722 9.904 1.00 0.00 C ATOM 1210 C ILE A 79 8.164 -2.748 10.206 1.00 0.00 C ATOM 1211 O ILE A 79 9.219 -2.767 9.561 1.00 0.00 O ATOM 1212 CB ILE A 79 7.058 -1.457 8.363 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.101 -0.301 8.000 1.00 0.00 C ATOM 1214 CG2 ILE A 79 6.677 -2.729 7.595 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.654 -0.530 8.374 1.00 0.00 C ATOM 0 H ILE A 79 7.855 0.197 10.135 1.00 0.00 H new ATOM 0 HA ILE A 79 6.096 -2.078 10.193 1.00 0.00 H new ATOM 0 HB ILE A 79 8.065 -1.161 8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.449 0.607 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.160 -0.124 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.665 -2.519 6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.407 -3.512 7.803 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.688 -3.062 7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.061 0.336 8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.282 -1.417 7.861 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.575 -0.674 9.452 1.00 0.00 H new ATOM 1227 N GLN A 80 7.937 -3.540 11.218 1.00 0.00 N ATOM 1228 CA GLN A 80 8.891 -4.546 11.601 1.00 0.00 C ATOM 1229 C GLN A 80 8.430 -5.901 11.100 1.00 0.00 C ATOM 1230 O GLN A 80 9.235 -6.746 10.703 1.00 0.00 O ATOM 1231 CB GLN A 80 9.075 -4.563 13.112 1.00 0.00 C ATOM 1232 CG GLN A 80 10.180 -5.491 13.583 1.00 0.00 C ATOM 1233 CD GLN A 80 10.321 -5.509 15.080 1.00 0.00 C ATOM 1234 OE1 GLN A 80 10.027 -4.523 15.762 1.00 0.00 O ATOM 1235 NE2 GLN A 80 10.782 -6.604 15.607 1.00 0.00 N ATOM 0 H GLN A 80 7.096 -3.508 11.795 1.00 0.00 H new ATOM 0 HA GLN A 80 9.855 -4.312 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.293 -3.551 13.454 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.137 -4.863 13.580 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.976 -6.502 13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.125 -5.181 13.136 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.014 -7.399 15.011 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.912 -6.669 16.617 1.00 0.00 H new ATOM 1244 N ALA A 81 7.136 -6.111 11.121 1.00 0.00 N ATOM 1245 CA ALA A 81 6.581 -7.331 10.618 1.00 0.00 C ATOM 1246 C ALA A 81 6.314 -7.166 9.148 1.00 0.00 C ATOM 1247 O ALA A 81 5.555 -6.292 8.732 1.00 0.00 O ATOM 1248 CB ALA A 81 5.324 -7.703 11.367 1.00 0.00 C ATOM 0 H ALA A 81 6.451 -5.447 11.483 1.00 0.00 H new ATOM 0 HA ALA A 81 7.290 -8.146 10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.923 -8.633 10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.556 -7.834 12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.585 -6.910 11.253 1.00 0.00 H new ATOM 1254 N MET A 82 6.942 -7.972 8.375 1.00 0.00 N ATOM 1255 CA MET A 82 6.856 -7.878 6.950 1.00 0.00 C ATOM 1256 C MET A 82 6.027 -9.054 6.476 1.00 0.00 C ATOM 1257 O MET A 82 6.252 -10.179 6.931 1.00 0.00 O ATOM 1258 CB MET A 82 8.277 -7.972 6.385 1.00 0.00 C ATOM 1259 CG MET A 82 9.257 -6.992 7.061 1.00 0.00 C ATOM 1260 SD MET A 82 11.011 -7.378 6.796 1.00 0.00 S ATOM 1261 CE MET A 82 11.130 -7.308 5.034 1.00 0.00 C ATOM 0 H MET A 82 7.540 -8.728 8.709 1.00 0.00 H new ATOM 0 HA MET A 82 6.400 -6.943 6.625 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.646 -8.990 6.509 1.00 0.00 H new ATOM 0 HB3 MET A 82 8.251 -7.771 5.314 1.00 0.00 H new ATOM 0 HG2 MET A 82 9.059 -5.986 6.690 1.00 0.00 H new ATOM 0 HG3 MET A 82 9.058 -6.981 8.133 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.422 -8.285 4.650 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.164 -7.027 4.615 1.00 0.00 H new ATOM 0 HE3 MET A 82 11.878 -6.568 4.749 1.00 0.00 H new ATOM 1271 N PRO A 83 5.056 -8.851 5.586 1.00 0.00 N ATOM 1272 CA PRO A 83 4.722 -7.561 4.997 1.00 0.00 C ATOM 1273 C PRO A 83 3.584 -6.837 5.764 1.00 0.00 C ATOM 1274 O PRO A 83 2.821 -7.462 6.500 1.00 0.00 O ATOM 1275 CB PRO A 83 4.231 -7.975 3.616 1.00 0.00 C ATOM 1276 CG PRO A 83 3.508 -9.255 3.861 1.00 0.00 C ATOM 1277 CD PRO A 83 4.175 -9.906 5.057 1.00 0.00 C ATOM 0 HA PRO A 83 5.558 -6.862 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.573 -7.221 3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.060 -8.111 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.452 -9.072 4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.561 -9.904 2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.443 -10.225 5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.741 -10.791 4.767 1.00 0.00 H new ATOM 1285 N THR A 84 3.521 -5.546 5.635 1.00 0.00 N ATOM 1286 CA THR A 84 2.448 -4.790 6.216 1.00 0.00 C ATOM 1287 C THR A 84 1.706 -4.017 5.126 1.00 0.00 C ATOM 1288 O THR A 84 2.315 -3.272 4.361 1.00 0.00 O ATOM 1289 CB THR A 84 2.934 -3.810 7.302 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.548 -4.513 8.410 1.00 0.00 O ATOM 1291 CG2 THR A 84 1.799 -2.928 7.824 1.00 0.00 C ATOM 0 H THR A 84 4.207 -4.987 5.127 1.00 0.00 H new ATOM 0 HA THR A 84 1.778 -5.504 6.696 1.00 0.00 H new ATOM 0 HB THR A 84 3.679 -3.170 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.270 -5.084 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.185 -2.252 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.383 -2.346 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.019 -3.556 8.256 1.00 0.00 H new ATOM 1299 N PHE A 85 0.410 -4.186 5.068 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.406 -3.474 4.142 1.00 0.00 C ATOM 1301 C PHE A 85 -1.104 -2.402 4.912 1.00 0.00 C ATOM 1302 O PHE A 85 -1.813 -2.691 5.870 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.464 -4.399 3.544 1.00 0.00 C ATOM 1304 CG PHE A 85 -0.963 -5.479 2.633 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.448 -6.660 3.141 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -1.024 -5.314 1.260 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.003 -7.651 2.295 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.583 -6.304 0.411 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.072 -7.471 0.925 1.00 0.00 C ATOM 0 H PHE A 85 -0.105 -4.829 5.670 1.00 0.00 H new ATOM 0 HA PHE A 85 0.206 -3.070 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.011 -4.868 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.179 -3.789 2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.395 -6.805 4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.422 -4.398 0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.399 -8.568 2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.639 -6.163 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.276 -8.248 0.260 1.00 0.00 H new ATOM 1319 N MET A 86 -0.911 -1.185 4.533 1.00 0.00 N ATOM 1320 CA MET A 86 -1.513 -0.109 5.255 1.00 0.00 C ATOM 1321 C MET A 86 -2.540 0.583 4.415 1.00 0.00 C ATOM 1322 O MET A 86 -2.249 1.066 3.313 1.00 0.00 O ATOM 1323 CB MET A 86 -0.465 0.875 5.761 1.00 0.00 C ATOM 1324 CG MET A 86 -1.036 2.008 6.608 1.00 0.00 C ATOM 1325 SD MET A 86 0.233 3.130 7.229 1.00 0.00 S ATOM 1326 CE MET A 86 1.227 2.019 8.231 1.00 0.00 C ATOM 0 H MET A 86 -0.344 -0.907 3.732 1.00 0.00 H new ATOM 0 HA MET A 86 -2.014 -0.530 6.126 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.274 0.332 6.350 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.060 1.303 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.754 2.573 6.013 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.583 1.585 7.450 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.813 2.598 8.944 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.574 1.333 8.770 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.898 1.450 7.587 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.723 0.614 4.925 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.813 1.231 4.307 1.00 0.00 C ATOM 1338 C PHE A 87 -5.076 2.540 5.002 1.00 0.00 C ATOM 1339 O PHE A 87 -5.408 2.577 6.200 1.00 0.00 O ATOM 1340 CB PHE A 87 -6.017 0.311 4.440 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.925 -0.970 3.646 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.177 -2.046 4.108 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.584 -1.094 2.434 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.091 -3.215 3.377 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.504 -2.262 1.699 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.756 -3.324 2.172 1.00 0.00 C ATOM 0 H PHE A 87 -3.952 0.188 5.823 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.615 1.419 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.151 0.061 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.908 0.854 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.656 -1.967 5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.168 -0.267 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.504 -4.043 3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.025 -2.345 0.757 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.692 -4.238 1.600 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.930 3.600 4.294 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.148 4.872 4.864 1.00 0.00 C ATOM 1358 C LEU A 88 -6.002 5.710 3.940 1.00 0.00 C ATOM 1359 O LEU A 88 -6.111 5.423 2.760 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.824 5.593 5.280 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.748 5.883 4.213 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.702 6.822 4.795 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -2.047 4.604 3.766 1.00 0.00 C ATOM 0 H LEU A 88 -4.658 3.608 3.311 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.692 4.730 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.099 6.545 5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.356 4.992 6.060 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.243 6.334 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.940 7.029 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.178 7.755 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.237 6.355 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.295 4.845 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.565 4.134 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.779 3.918 3.340 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.594 6.729 4.455 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.515 7.505 3.693 1.00 0.00 C ATOM 1377 C LYS A 89 -7.224 8.962 3.868 1.00 0.00 C ATOM 1378 O LYS A 89 -7.214 9.472 4.988 1.00 0.00 O ATOM 1379 CB LYS A 89 -8.933 7.154 4.127 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.062 7.827 3.370 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.395 7.259 3.838 1.00 0.00 C ATOM 1382 CE LYS A 89 -12.571 7.850 3.090 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.847 7.221 3.505 1.00 0.00 N ATOM 0 H LYS A 89 -6.456 7.050 5.413 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.413 7.279 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.059 6.075 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.037 7.401 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.035 8.904 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.942 7.667 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.392 6.177 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.514 7.450 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.617 8.924 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.428 7.714 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.633 7.648 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.811 6.200 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.994 7.373 4.523 1.00 0.00 H new ATOM 1397 N GLU A 90 -6.931 9.608 2.749 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.624 11.036 2.670 1.00 0.00 C ATOM 1399 C GLU A 90 -5.289 11.350 3.370 1.00 0.00 C ATOM 1400 O GLU A 90 -5.002 12.499 3.709 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.741 11.882 3.276 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.114 11.681 2.659 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.169 12.471 3.383 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -10.589 12.040 4.485 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -10.591 13.526 2.872 1.00 0.00 O ATOM 0 H GLU A 90 -6.898 9.143 1.842 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.537 11.290 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.804 11.662 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.469 12.934 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.090 11.981 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.372 10.622 2.682 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.474 10.326 3.552 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.207 10.485 4.244 1.00 0.00 C ATOM 1414 C GLY A 91 -3.335 10.211 5.736 1.00 0.00 C ATOM 1415 O GLY A 91 -2.364 10.313 6.483 1.00 0.00 O ATOM 0 H GLY A 91 -4.666 9.377 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.470 9.807 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.835 11.498 4.092 1.00 0.00 H new ATOM 1419 N LYS A 92 -4.532 9.871 6.159 1.00 0.00 N ATOM 1420 CA LYS A 92 -4.807 9.536 7.544 1.00 0.00 C ATOM 1421 C LYS A 92 -4.969 8.030 7.664 1.00 0.00 C ATOM 1422 O LYS A 92 -5.710 7.425 6.893 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.068 10.263 7.992 1.00 0.00 C ATOM 1424 CG LYS A 92 -5.918 11.768 7.952 1.00 0.00 C ATOM 1425 CD LYS A 92 -7.209 12.475 8.266 1.00 0.00 C ATOM 1426 CE LYS A 92 -7.009 13.974 8.318 1.00 0.00 C ATOM 1427 NZ LYS A 92 -6.088 14.372 9.410 1.00 0.00 N ATOM 0 H LYS A 92 -5.349 9.818 5.550 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.984 9.849 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.900 9.967 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.320 9.954 9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.154 12.075 8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.570 12.071 6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.955 12.230 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.597 12.123 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.612 14.320 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.972 14.464 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.208 15.385 9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.303 13.820 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.106 14.191 9.119 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.295 7.436 8.622 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.245 5.982 8.763 1.00 0.00 C ATOM 1443 C ILE A 93 -5.563 5.414 9.276 1.00 0.00 C ATOM 1444 O ILE A 93 -6.061 5.827 10.327 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.082 5.541 9.705 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.737 6.068 9.172 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.044 4.011 9.843 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.543 5.731 10.050 1.00 0.00 C ATOM 0 H ILE A 93 -3.762 7.940 9.331 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.064 5.581 7.766 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.258 5.967 10.693 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.568 5.659 8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.801 7.151 9.065 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.226 3.726 10.504 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.987 3.660 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.892 3.561 8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.364 6.138 9.603 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.686 6.164 11.040 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.450 4.649 10.137 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.123 4.483 8.535 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.319 3.823 8.950 1.00 0.00 C ATOM 1462 C LEU A 94 -6.972 2.520 9.619 1.00 0.00 C ATOM 1463 O LEU A 94 -7.066 2.391 10.841 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.267 3.571 7.771 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.850 4.803 7.077 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.809 4.380 5.982 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.547 5.720 8.074 1.00 0.00 C ATOM 0 H LEU A 94 -5.757 4.171 7.635 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.835 4.474 9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.732 2.983 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.095 2.958 8.127 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.028 5.362 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.218 5.265 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.278 3.774 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.621 3.796 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.951 6.587 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.359 5.179 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.831 6.052 8.826 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.514 1.585 8.837 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.221 0.262 9.309 1.00 0.00 C ATOM 1481 C ASP A 95 -5.122 -0.357 8.521 1.00 0.00 C ATOM 1482 O ASP A 95 -4.845 0.042 7.401 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.454 -0.634 9.309 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.175 -0.701 7.998 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -8.965 0.208 7.697 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -7.987 -1.652 7.259 1.00 0.00 O ATOM 0 H ASP A 95 -6.331 1.721 7.843 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.891 0.361 10.343 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.155 -1.642 9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.146 -0.278 10.072 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.479 -1.302 9.109 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.366 -1.958 8.483 1.00 0.00 C ATOM 1493 C LYS A 96 -3.396 -3.438 8.768 1.00 0.00 C ATOM 1494 O LYS A 96 -3.974 -3.874 9.763 1.00 0.00 O ATOM 1495 CB LYS A 96 -2.043 -1.341 8.971 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.877 -1.375 10.480 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.577 -0.748 10.927 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.475 -0.748 12.441 1.00 0.00 C ATOM 1499 NZ LYS A 96 0.781 -0.145 12.912 1.00 0.00 N ATOM 0 H LYS A 96 -4.704 -1.650 10.041 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.440 -1.816 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.211 -1.874 8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.987 -0.307 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.711 -0.850 10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.917 -2.408 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.263 -1.297 10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.513 0.274 10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.319 -0.200 12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.545 -1.772 12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.808 -0.166 13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.587 -0.682 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.837 0.840 12.584 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.766 -4.190 7.916 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.667 -5.615 8.066 1.00 0.00 C ATOM 1515 C VAL A 97 -1.221 -5.908 8.306 1.00 0.00 C ATOM 1516 O VAL A 97 -0.375 -5.580 7.472 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.104 -6.358 6.765 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.068 -7.872 6.953 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.475 -5.903 6.300 1.00 0.00 C ATOM 0 H VAL A 97 -2.299 -3.828 7.085 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.313 -5.949 8.878 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.386 -6.099 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.378 -8.361 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.055 -8.183 7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.746 -8.155 7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.748 -6.440 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.210 -6.109 7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.453 -4.833 6.095 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.927 -6.489 9.428 1.00 0.00 N ATOM 1530 CA VAL A 98 0.430 -6.740 9.784 1.00 0.00 C ATOM 1531 C VAL A 98 0.765 -8.240 9.731 1.00 0.00 C ATOM 1532 O VAL A 98 0.201 -9.071 10.482 1.00 0.00 O ATOM 1533 CB VAL A 98 0.776 -6.081 11.156 1.00 0.00 C ATOM 1534 CG1 VAL A 98 -0.077 -6.613 12.302 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.246 -6.184 11.466 1.00 0.00 C ATOM 0 H VAL A 98 -1.615 -6.799 10.115 1.00 0.00 H new ATOM 0 HA VAL A 98 1.072 -6.268 9.040 1.00 0.00 H new ATOM 0 HB VAL A 98 0.530 -5.024 11.057 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.210 -6.117 13.230 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.129 -6.415 12.095 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.077 -7.687 12.402 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.449 -5.714 12.429 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.537 -7.234 11.506 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.818 -5.678 10.688 1.00 0.00 H new ATOM 1545 N GLY A 99 1.656 -8.578 8.829 1.00 0.00 N ATOM 1546 CA GLY A 99 2.030 -9.945 8.611 1.00 0.00 C ATOM 1547 C GLY A 99 1.298 -10.474 7.411 1.00 0.00 C ATOM 1548 O GLY A 99 0.288 -9.888 7.002 1.00 0.00 O ATOM 0 H GLY A 99 2.139 -7.909 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.106 -10.019 8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.792 -10.544 9.490 1.00 0.00 H new ATOM 1552 N ALA A 100 1.765 -11.555 6.824 1.00 0.00 N ATOM 1553 CA ALA A 100 1.072 -12.057 5.671 1.00 0.00 C ATOM 1554 C ALA A 100 -0.128 -12.848 6.120 1.00 0.00 C ATOM 1555 O ALA A 100 -0.003 -13.947 6.650 1.00 0.00 O ATOM 1556 CB ALA A 100 1.994 -12.916 4.814 1.00 0.00 C ATOM 0 H ALA A 100 2.589 -12.081 7.115 1.00 0.00 H new ATOM 0 HA ALA A 100 0.742 -11.217 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.446 -13.285 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.842 -12.318 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.354 -13.761 5.401 1.00 0.00 H new ATOM 1562 N LYS A 101 -1.280 -12.273 5.920 1.00 0.00 N ATOM 1563 CA LYS A 101 -2.521 -12.878 6.249 1.00 0.00 C ATOM 1564 C LYS A 101 -3.399 -12.868 5.029 1.00 0.00 C ATOM 1565 O LYS A 101 -3.838 -11.802 4.600 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.183 -12.080 7.344 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.438 -12.004 8.683 1.00 0.00 C ATOM 1568 CD LYS A 101 -2.522 -13.246 9.568 1.00 0.00 C ATOM 1569 CE LYS A 101 -1.863 -14.498 9.002 1.00 0.00 C ATOM 1570 NZ LYS A 101 -1.846 -15.600 9.980 1.00 0.00 N ATOM 0 H LYS A 101 -1.375 -11.343 5.511 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.363 -13.902 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.336 -11.064 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.170 -12.505 7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.387 -11.797 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.827 -11.155 9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.063 -13.018 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.573 -13.464 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.397 -14.816 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.842 -14.266 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.390 -16.433 9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.315 -15.306 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.821 -15.840 10.250 1.00 0.00 H new ATOM 1584 N LYS A 102 -3.656 -14.014 4.464 1.00 0.00 N ATOM 1585 CA LYS A 102 -4.449 -14.094 3.276 1.00 0.00 C ATOM 1586 C LYS A 102 -5.901 -13.746 3.609 1.00 0.00 C ATOM 1587 O LYS A 102 -6.527 -12.913 2.944 1.00 0.00 O ATOM 1588 CB LYS A 102 -4.316 -15.499 2.688 1.00 0.00 C ATOM 1589 CG LYS A 102 -4.691 -15.645 1.213 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.176 -15.437 0.891 1.00 0.00 C ATOM 1591 CE LYS A 102 -7.049 -16.512 1.518 1.00 0.00 C ATOM 1592 NZ LYS A 102 -8.473 -16.372 1.140 1.00 0.00 N ATOM 0 H LYS A 102 -3.323 -14.912 4.813 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.103 -13.379 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.285 -15.829 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.941 -16.176 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.107 -14.930 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.399 -16.640 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.492 -14.458 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.317 -15.440 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.689 -17.494 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.957 -16.464 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.028 -17.127 1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.827 -15.446 1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.567 -16.444 0.107 1.00 0.00 H new ATOM 1606 N ASP A 103 -6.417 -14.359 4.661 1.00 0.00 N ATOM 1607 CA ASP A 103 -7.803 -14.143 5.065 1.00 0.00 C ATOM 1608 C ASP A 103 -8.033 -12.734 5.598 1.00 0.00 C ATOM 1609 O ASP A 103 -9.016 -12.087 5.243 1.00 0.00 O ATOM 1610 CB ASP A 103 -8.256 -15.192 6.080 1.00 0.00 C ATOM 1611 CG ASP A 103 -9.692 -14.998 6.513 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -10.601 -15.212 5.690 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -9.936 -14.660 7.693 1.00 0.00 O ATOM 0 H ASP A 103 -5.901 -15.010 5.252 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.414 -14.253 4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.142 -16.185 5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.607 -15.150 6.955 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.115 -12.247 6.419 1.00 0.00 N ATOM 1619 CA GLU A 104 -7.244 -10.908 6.987 1.00 0.00 C ATOM 1620 C GLU A 104 -7.155 -9.838 5.897 1.00 0.00 C ATOM 1621 O GLU A 104 -7.805 -8.801 5.996 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.198 -10.670 8.072 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.299 -9.332 8.790 1.00 0.00 C ATOM 1624 CD GLU A 104 -7.619 -9.136 9.513 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -7.858 -9.822 10.531 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -8.419 -8.266 9.102 1.00 0.00 O ATOM 0 H GLU A 104 -6.277 -12.752 6.707 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.229 -10.835 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.277 -11.467 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.208 -10.749 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.484 -9.251 9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.167 -8.528 8.066 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.363 -10.095 4.856 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.271 -9.169 3.734 1.00 0.00 C ATOM 1635 C LEU A 105 -7.637 -9.015 3.111 1.00 0.00 C ATOM 1636 O LEU A 105 -8.150 -7.911 2.965 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.318 -9.692 2.671 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.078 -8.757 1.473 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.441 -7.446 1.918 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.231 -9.434 0.415 1.00 0.00 C ATOM 0 H LEU A 105 -5.782 -10.929 4.769 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.899 -8.214 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.358 -9.903 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.705 -10.640 2.297 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.048 -8.527 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.283 -6.805 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.100 -6.943 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.483 -7.651 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.077 -8.751 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.266 -9.708 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.739 -10.331 0.061 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.223 -10.146 2.777 1.00 0.00 N ATOM 1653 CA GLN A 106 -9.557 -10.188 2.171 1.00 0.00 C ATOM 1654 C GLN A 106 -10.593 -9.575 3.104 1.00 0.00 C ATOM 1655 O GLN A 106 -11.495 -8.857 2.665 1.00 0.00 O ATOM 1656 CB GLN A 106 -9.955 -11.620 1.815 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.017 -12.318 0.840 1.00 0.00 C ATOM 1658 CD GLN A 106 -8.866 -11.572 -0.468 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -9.631 -11.774 -1.406 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -7.875 -10.726 -0.549 1.00 0.00 N ATOM 0 H GLN A 106 -7.798 -11.063 2.913 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.522 -9.602 1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.006 -12.207 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.958 -11.608 1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.037 -12.430 1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.391 -13.322 0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.259 -10.584 0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.717 -10.207 -1.413 1.00 0.00 H new ATOM 1669 N SER A 107 -10.444 -9.849 4.382 1.00 0.00 N ATOM 1670 CA SER A 107 -11.299 -9.298 5.402 1.00 0.00 C ATOM 1671 C SER A 107 -11.205 -7.772 5.385 1.00 0.00 C ATOM 1672 O SER A 107 -12.217 -7.086 5.376 1.00 0.00 O ATOM 1673 CB SER A 107 -10.885 -9.861 6.770 1.00 0.00 C ATOM 1674 OG SER A 107 -11.679 -9.359 7.828 1.00 0.00 O ATOM 0 H SER A 107 -9.717 -10.467 4.742 1.00 0.00 H new ATOM 0 HA SER A 107 -12.335 -9.577 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.960 -10.948 6.749 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.839 -9.617 6.958 1.00 0.00 H new ATOM 0 HG SER A 107 -11.378 -9.747 8.676 1.00 0.00 H new ATOM 1680 N THR A 108 -9.986 -7.263 5.332 1.00 0.00 N ATOM 1681 CA THR A 108 -9.731 -5.836 5.296 1.00 0.00 C ATOM 1682 C THR A 108 -10.350 -5.199 4.046 1.00 0.00 C ATOM 1683 O THR A 108 -10.809 -4.050 4.077 1.00 0.00 O ATOM 1684 CB THR A 108 -8.214 -5.563 5.378 1.00 0.00 C ATOM 1685 OG1 THR A 108 -7.704 -6.154 6.593 1.00 0.00 O ATOM 1686 CG2 THR A 108 -7.915 -4.074 5.388 1.00 0.00 C ATOM 0 H THR A 108 -9.141 -7.834 5.313 1.00 0.00 H new ATOM 0 HA THR A 108 -10.205 -5.375 6.163 1.00 0.00 H new ATOM 0 HB THR A 108 -7.736 -5.998 4.500 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.737 -7.131 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.838 -3.920 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.298 -3.620 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.395 -3.612 6.251 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.411 -5.955 2.969 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.028 -5.467 1.767 1.00 0.00 C ATOM 1696 C ILE A 109 -12.520 -5.303 1.993 1.00 0.00 C ATOM 1697 O ILE A 109 -13.084 -4.282 1.656 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.782 -6.395 0.568 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.285 -6.614 0.374 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.406 -5.812 -0.696 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.483 -5.342 0.139 1.00 0.00 C ATOM 0 H ILE A 109 -10.041 -6.904 2.908 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.575 -4.504 1.531 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.253 -7.358 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.888 -7.120 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.136 -7.283 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.222 -6.483 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.480 -5.697 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.962 -4.839 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.430 -5.594 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.848 -4.843 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.596 -4.677 0.995 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.136 -6.295 2.617 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.566 -6.250 2.907 1.00 0.00 C ATOM 1715 C ALA A 110 -14.883 -5.156 3.922 1.00 0.00 C ATOM 1716 O ALA A 110 -15.960 -4.563 3.895 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.072 -7.605 3.374 1.00 0.00 C ATOM 0 H ALA A 110 -12.669 -7.145 2.934 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.090 -6.005 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.140 -7.542 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -14.898 -8.347 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.542 -7.899 4.280 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.943 -4.901 4.811 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.032 -3.880 5.770 1.00 0.00 C ATOM 1725 C LYS A 111 -14.048 -2.494 5.113 1.00 0.00 C ATOM 1726 O LYS A 111 -14.717 -1.586 5.578 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.864 -4.042 6.691 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.967 -5.213 7.668 1.00 0.00 C ATOM 1729 CD LYS A 111 -11.699 -5.362 8.499 1.00 0.00 C ATOM 1730 CE LYS A 111 -11.779 -6.546 9.452 1.00 0.00 C ATOM 1731 NZ LYS A 111 -10.504 -6.749 10.191 1.00 0.00 N ATOM 0 H LYS A 111 -13.075 -5.433 4.866 1.00 0.00 H new ATOM 0 HA LYS A 111 -14.966 -3.956 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.963 -4.168 6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.741 -3.122 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.820 -5.062 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.151 -6.134 7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.843 -5.487 7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.529 -4.448 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.589 -6.386 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.021 -7.448 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.694 -7.256 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.849 -7.307 9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.076 -5.826 10.405 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.316 -2.344 4.025 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.287 -1.100 3.290 1.00 0.00 C ATOM 1747 C HIS A 112 -14.354 -1.043 2.212 1.00 0.00 C ATOM 1748 O HIS A 112 -14.717 0.047 1.755 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.923 -0.860 2.665 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.864 -0.432 3.619 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.488 0.872 3.767 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.084 -1.138 4.456 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.526 0.950 4.653 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.265 -0.259 5.085 1.00 0.00 N ATOM 0 H HIS A 112 -12.729 -3.079 3.630 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.494 -0.313 4.015 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.599 -1.777 2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.023 -0.100 1.890 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -10.893 1.663 3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.106 -2.208 4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.033 1.856 4.973 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.834 -2.209 1.792 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.816 -2.319 0.758 1.00 0.00 C ATOM 1765 C LEU A 113 -17.106 -1.641 1.201 1.00 0.00 C ATOM 1766 O LEU A 113 -17.785 -2.087 2.139 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.037 -3.802 0.438 1.00 0.00 C ATOM 1768 CG LEU A 113 -16.709 -4.160 -0.877 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -16.664 -5.657 -1.091 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -18.142 -3.659 -0.980 1.00 0.00 C ATOM 0 H LEU A 113 -14.538 -3.107 2.175 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.474 -1.818 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -15.066 -4.296 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.632 -4.232 1.244 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.147 -3.652 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -17.148 -5.904 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.626 -5.990 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.185 -6.157 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -18.561 -3.950 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -18.738 -4.095 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -18.155 -2.573 -0.892 1.00 0.00 H new ATOM 1782 N ALA A 114 -17.409 -0.557 0.560 1.00 0.00 N ATOM 1783 CA ALA A 114 -18.593 0.192 0.830 1.00 0.00 C ATOM 1784 C ALA A 114 -19.097 0.762 -0.462 1.00 0.00 C ATOM 1785 O ALA A 114 -18.722 1.880 -0.806 1.00 0.00 O ATOM 1786 CB ALA A 114 -18.308 1.299 1.839 1.00 0.00 C ATOM 1787 OXT ALA A 114 -19.831 0.053 -1.182 1.00 0.00 O ATOM 0 H ALA A 114 -16.829 -0.161 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 114 -19.353 -0.457 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -19.223 1.859 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -17.948 0.860 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.549 1.971 1.438 1.00 0.00 H new TER 1793 ALA A 114