USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 694 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-5.9!) USER MOD Set 2.1: A 25 TYR OH : rot -96:sc= 0.0336 USER MOD Set 2.2: A 63 ASN : amide:sc= -10! K(o=-10!,f=-1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-6.3!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 176:sc= 0.412 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.0576 (180deg=-0.569) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= -0.0407 (180deg=-0.419) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.49 K(o=-1.5,f=-9.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.453 USER MOD Single : A 35 MET CE :methyl 164:sc= -1.21 (180deg=-1.86) USER MOD Single : A 37 ASN : amide:sc= -0.0906 K(o=-0.091,f=-1.5!) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= -0.0107 (180deg=-0.212) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.9 K(o=-1.9,f=-3.8) USER MOD Single : A 50 MET CE :methyl 173:sc= -0.675 (180deg=-0.796) USER MOD Single : A 52 LYS NZ :NH3+ -112:sc= 0.945 (180deg=-0.942) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 131:sc= -0.256 (180deg=-0.726) USER MOD Single : A 70 MET CE :methyl -130:sc= -3.89! (180deg=-5.98!) USER MOD Single : A 71 MET CE :methyl -175:sc= -2.53! (180deg=-2.64!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 81:sc= 0.412 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 107:sc= 1.19 USER MOD Single : A 89 LYS NZ :NH3+ -141:sc= -0.171 (180deg=-1.11) USER MOD Single : A 91 SER OG : rot 100:sc= -1.07 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.665 -9.914 -8.313 1.00 0.00 N ATOM 2 CA GLY A 1 26.520 -10.306 -7.441 1.00 0.00 C ATOM 3 C GLY A 1 26.284 -9.227 -6.392 1.00 0.00 C ATOM 4 O GLY A 1 26.634 -9.396 -5.224 1.00 0.00 O ATOM 0 H1 GLY A 1 27.825 -10.652 -9.029 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.449 -9.014 -8.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.521 -9.803 -7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.622 -10.445 -8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.729 -11.260 -6.956 1.00 0.00 H new ATOM 10 N HIS A 2 25.691 -8.115 -6.815 1.00 0.00 N ATOM 11 CA HIS A 2 25.415 -7.012 -5.901 1.00 0.00 C ATOM 12 C HIS A 2 24.171 -7.305 -5.068 1.00 0.00 C ATOM 13 O HIS A 2 23.947 -6.685 -4.030 1.00 0.00 O ATOM 14 CB HIS A 2 25.207 -5.719 -6.691 1.00 0.00 C ATOM 15 CG HIS A 2 24.238 -5.966 -7.814 1.00 0.00 C ATOM 16 ND1 HIS A 2 22.981 -6.510 -7.600 1.00 0.00 N ATOM 17 CD2 HIS A 2 24.327 -5.750 -9.167 1.00 0.00 C ATOM 18 CE1 HIS A 2 22.370 -6.602 -8.795 1.00 0.00 C ATOM 19 NE2 HIS A 2 23.147 -6.152 -9.785 1.00 0.00 N ATOM 0 H HIS A 2 25.394 -7.954 -7.778 1.00 0.00 H new ATOM 0 HA HIS A 2 26.268 -6.897 -5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 2 24.827 -4.937 -6.034 1.00 0.00 H new ATOM 0 HB3 HIS A 2 26.159 -5.367 -7.089 1.00 0.00 H new ATOM 0 HD2 HIS A 2 25.183 -5.331 -9.675 1.00 0.00 H new ATOM 0 HE1 HIS A 2 21.373 -6.992 -8.937 1.00 0.00 H new ATOM 0 HE2 HIS A 2 22.923 -6.112 -10.779 1.00 0.00 H new ATOM 27 N MET A 3 23.367 -8.258 -5.530 1.00 0.00 N ATOM 28 CA MET A 3 22.148 -8.631 -4.820 1.00 0.00 C ATOM 29 C MET A 3 21.380 -7.385 -4.388 1.00 0.00 C ATOM 30 O MET A 3 21.356 -7.037 -3.207 1.00 0.00 O ATOM 31 CB MET A 3 22.499 -9.467 -3.588 1.00 0.00 C ATOM 32 CG MET A 3 23.315 -10.689 -4.017 1.00 0.00 C ATOM 33 SD MET A 3 22.302 -11.756 -5.070 1.00 0.00 S ATOM 34 CE MET A 3 23.586 -12.971 -5.465 1.00 0.00 C ATOM 0 H MET A 3 23.536 -8.783 -6.388 1.00 0.00 H new ATOM 0 HA MET A 3 21.521 -9.218 -5.492 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.068 -8.867 -2.878 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.589 -9.784 -3.079 1.00 0.00 H new ATOM 0 HG2 MET A 3 24.208 -10.372 -4.555 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.651 -11.241 -3.139 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.172 -13.739 -6.119 1.00 0.00 H new ATOM 0 HE2 MET A 3 24.415 -12.474 -5.969 1.00 0.00 H new ATOM 0 HE3 MET A 3 23.945 -13.433 -4.545 1.00 0.00 H new ATOM 44 N ASP A 4 20.754 -6.717 -5.351 1.00 0.00 N ATOM 45 CA ASP A 4 19.988 -5.511 -5.059 1.00 0.00 C ATOM 46 C ASP A 4 18.655 -5.868 -4.413 1.00 0.00 C ATOM 47 O ASP A 4 17.823 -6.549 -5.015 1.00 0.00 O ATOM 48 CB ASP A 4 19.740 -4.725 -6.349 1.00 0.00 C ATOM 49 CG ASP A 4 18.981 -5.591 -7.347 1.00 0.00 C ATOM 50 OD1 ASP A 4 18.917 -6.791 -7.134 1.00 0.00 O ATOM 51 OD2 ASP A 4 18.472 -5.042 -8.311 1.00 0.00 O ATOM 0 H ASP A 4 20.761 -6.988 -6.334 1.00 0.00 H new ATOM 0 HA ASP A 4 20.562 -4.897 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.170 -3.822 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 4 20.690 -4.406 -6.779 1.00 0.00 H new ATOM 56 N THR A 5 18.457 -5.405 -3.183 1.00 0.00 N ATOM 57 CA THR A 5 17.222 -5.684 -2.464 1.00 0.00 C ATOM 58 C THR A 5 16.015 -5.215 -3.271 1.00 0.00 C ATOM 59 O THR A 5 15.600 -4.061 -3.174 1.00 0.00 O ATOM 60 CB THR A 5 17.233 -4.977 -1.111 1.00 0.00 C ATOM 61 OG1 THR A 5 17.570 -3.609 -1.295 1.00 0.00 O ATOM 62 CG2 THR A 5 18.263 -5.638 -0.192 1.00 0.00 C ATOM 0 H THR A 5 19.131 -4.839 -2.668 1.00 0.00 H new ATOM 0 HA THR A 5 17.150 -6.761 -2.311 1.00 0.00 H new ATOM 0 HB THR A 5 16.245 -5.051 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.512 -3.139 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.268 -5.131 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.003 -6.687 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 5 19.252 -5.568 -0.644 1.00 0.00 H new ATOM 70 N ASP A 6 15.464 -6.116 -4.070 1.00 0.00 N ATOM 71 CA ASP A 6 14.313 -5.784 -4.904 1.00 0.00 C ATOM 72 C ASP A 6 13.155 -5.303 -4.038 1.00 0.00 C ATOM 73 O ASP A 6 12.493 -4.319 -4.368 1.00 0.00 O ATOM 74 CB ASP A 6 13.870 -7.013 -5.703 1.00 0.00 C ATOM 75 CG ASP A 6 14.879 -7.313 -6.806 1.00 0.00 C ATOM 76 OD1 ASP A 6 15.706 -6.458 -7.075 1.00 0.00 O ATOM 77 OD2 ASP A 6 14.810 -8.396 -7.367 1.00 0.00 O ATOM 0 H ASP A 6 15.791 -7.078 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 6 14.603 -4.989 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 6 13.778 -7.873 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.886 -6.838 -6.138 1.00 0.00 H new ATOM 82 N ALA A 7 12.918 -5.995 -2.929 1.00 0.00 N ATOM 83 CA ALA A 7 11.836 -5.618 -2.029 1.00 0.00 C ATOM 84 C ALA A 7 11.966 -4.155 -1.617 1.00 0.00 C ATOM 85 O ALA A 7 11.044 -3.363 -1.811 1.00 0.00 O ATOM 86 CB ALA A 7 11.872 -6.502 -0.779 1.00 0.00 C ATOM 0 H ALA A 7 13.454 -6.811 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 7 10.889 -5.755 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.061 -6.217 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.754 -7.546 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.827 -6.373 -0.269 1.00 0.00 H new ATOM 92 N GLU A 8 13.115 -3.801 -1.048 1.00 0.00 N ATOM 93 CA GLU A 8 13.344 -2.430 -0.610 1.00 0.00 C ATOM 94 C GLU A 8 13.149 -1.461 -1.770 1.00 0.00 C ATOM 95 O GLU A 8 12.398 -0.491 -1.659 1.00 0.00 O ATOM 96 CB GLU A 8 14.768 -2.288 -0.067 1.00 0.00 C ATOM 97 CG GLU A 8 14.904 -3.090 1.229 1.00 0.00 C ATOM 98 CD GLU A 8 16.332 -2.994 1.755 1.00 0.00 C ATOM 99 OE1 GLU A 8 17.114 -2.272 1.161 1.00 0.00 O ATOM 100 OE2 GLU A 8 16.622 -3.643 2.747 1.00 0.00 O ATOM 0 H GLU A 8 13.894 -4.438 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 8 12.627 -2.194 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.487 -2.645 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.995 -1.238 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.206 -2.711 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.643 -4.133 1.050 1.00 0.00 H new ATOM 107 N GLU A 9 13.823 -1.730 -2.882 1.00 0.00 N ATOM 108 CA GLU A 9 13.713 -0.869 -4.054 1.00 0.00 C ATOM 109 C GLU A 9 12.258 -0.760 -4.498 1.00 0.00 C ATOM 110 O GLU A 9 11.764 0.327 -4.786 1.00 0.00 O ATOM 111 CB GLU A 9 14.550 -1.446 -5.201 1.00 0.00 C ATOM 112 CG GLU A 9 14.582 -0.451 -6.363 1.00 0.00 C ATOM 113 CD GLU A 9 15.401 -1.019 -7.515 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.089 -2.002 -7.300 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.335 -0.457 -8.596 1.00 0.00 O ATOM 0 H GLU A 9 14.446 -2.529 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 9 14.081 0.123 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.564 -1.652 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.127 -2.394 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.567 -0.238 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.013 0.494 -6.031 1.00 0.00 H new ATOM 122 N GLU A 10 11.572 -1.892 -4.548 1.00 0.00 N ATOM 123 CA GLU A 10 10.175 -1.903 -4.959 1.00 0.00 C ATOM 124 C GLU A 10 9.315 -1.083 -4.008 1.00 0.00 C ATOM 125 O GLU A 10 8.535 -0.236 -4.440 1.00 0.00 O ATOM 126 CB GLU A 10 9.651 -3.342 -4.990 1.00 0.00 C ATOM 127 CG GLU A 10 8.162 -3.345 -5.383 1.00 0.00 C ATOM 128 CD GLU A 10 7.286 -3.111 -4.150 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.064 -4.059 -3.410 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.856 -1.984 -3.961 1.00 0.00 O ATOM 0 H GLU A 10 11.955 -2.807 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 10 10.116 -1.462 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.226 -3.933 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.780 -3.807 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.973 -2.568 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.903 -4.297 -5.846 1.00 0.00 H new ATOM 137 N LEU A 11 9.464 -1.321 -2.713 1.00 0.00 N ATOM 138 CA LEU A 11 8.686 -0.598 -1.741 1.00 0.00 C ATOM 139 C LEU A 11 8.912 0.903 -1.898 1.00 0.00 C ATOM 140 O LEU A 11 7.963 1.687 -1.900 1.00 0.00 O ATOM 141 CB LEU A 11 9.117 -1.047 -0.318 1.00 0.00 C ATOM 142 CG LEU A 11 8.940 0.092 0.699 1.00 0.00 C ATOM 143 CD1 LEU A 11 7.446 0.419 0.846 1.00 0.00 C ATOM 144 CD2 LEU A 11 9.527 -0.298 2.052 1.00 0.00 C ATOM 0 H LEU A 11 10.113 -2.004 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 11 7.627 -0.809 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.525 -1.909 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.159 -1.366 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 11 9.471 0.973 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.320 1.227 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.045 0.728 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.913 -0.465 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.391 0.522 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.019 -1.187 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.591 -0.508 1.940 1.00 0.00 H new ATOM 156 N LYS A 12 10.177 1.308 -1.975 1.00 0.00 N ATOM 157 CA LYS A 12 10.495 2.720 -2.071 1.00 0.00 C ATOM 158 C LYS A 12 9.952 3.304 -3.365 1.00 0.00 C ATOM 159 O LYS A 12 9.303 4.352 -3.362 1.00 0.00 O ATOM 160 CB LYS A 12 12.022 2.908 -2.003 1.00 0.00 C ATOM 161 CG LYS A 12 12.353 4.324 -1.521 1.00 0.00 C ATOM 162 CD LYS A 12 13.858 4.452 -1.305 1.00 0.00 C ATOM 163 CE LYS A 12 14.159 5.804 -0.660 1.00 0.00 C ATOM 164 NZ LYS A 12 15.614 5.883 -0.337 1.00 0.00 N ATOM 0 H LYS A 12 10.984 0.685 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 12 10.028 3.245 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.458 2.173 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.462 2.737 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.017 5.057 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.823 4.536 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.216 3.644 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.383 4.364 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.880 6.612 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.566 5.928 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.823 6.802 0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.865 5.119 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.169 5.783 -1.211 1.00 0.00 H new ATOM 178 N GLU A 13 10.211 2.615 -4.471 1.00 0.00 N ATOM 179 CA GLU A 13 9.734 3.078 -5.765 1.00 0.00 C ATOM 180 C GLU A 13 8.211 3.136 -5.783 1.00 0.00 C ATOM 181 O GLU A 13 7.615 4.137 -6.203 1.00 0.00 O ATOM 182 CB GLU A 13 10.248 2.122 -6.859 1.00 0.00 C ATOM 183 CG GLU A 13 11.678 2.501 -7.258 1.00 0.00 C ATOM 184 CD GLU A 13 12.526 2.785 -6.020 1.00 0.00 C ATOM 185 OE1 GLU A 13 12.418 3.876 -5.491 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.266 1.908 -5.617 1.00 0.00 O ATOM 0 H GLU A 13 10.742 1.745 -4.497 1.00 0.00 H new ATOM 0 HA GLU A 13 10.111 4.083 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.223 1.094 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.594 2.168 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.127 1.692 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.660 3.380 -7.902 1.00 0.00 H new ATOM 193 N ALA A 14 7.584 2.065 -5.314 1.00 0.00 N ATOM 194 CA ALA A 14 6.131 2.010 -5.278 1.00 0.00 C ATOM 195 C ALA A 14 5.588 3.152 -4.429 1.00 0.00 C ATOM 196 O ALA A 14 4.638 3.830 -4.818 1.00 0.00 O ATOM 197 CB ALA A 14 5.674 0.670 -4.702 1.00 0.00 C ATOM 0 H ALA A 14 8.053 1.232 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 14 5.748 2.109 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.585 0.637 -4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.048 -0.141 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.062 0.558 -3.690 1.00 0.00 H new ATOM 203 N PHE A 15 6.198 3.361 -3.266 1.00 0.00 N ATOM 204 CA PHE A 15 5.762 4.425 -2.368 1.00 0.00 C ATOM 205 C PHE A 15 5.778 5.766 -3.094 1.00 0.00 C ATOM 206 O PHE A 15 4.845 6.560 -2.968 1.00 0.00 O ATOM 207 CB PHE A 15 6.689 4.492 -1.152 1.00 0.00 C ATOM 208 CG PHE A 15 6.268 5.635 -0.257 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.164 5.489 0.591 1.00 0.00 C ATOM 210 CD2 PHE A 15 6.978 6.840 -0.280 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.773 6.549 1.420 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.587 7.900 0.547 1.00 0.00 C ATOM 213 CZ PHE A 15 5.485 7.754 1.396 1.00 0.00 C ATOM 0 H PHE A 15 6.988 2.813 -2.926 1.00 0.00 H new ATOM 0 HA PHE A 15 4.746 4.210 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.651 3.552 -0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.721 4.631 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.614 4.560 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.828 6.953 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.923 6.436 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.136 8.830 0.529 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.183 8.572 2.034 1.00 0.00 H new ATOM 223 N LYS A 16 6.838 6.007 -3.857 1.00 0.00 N ATOM 224 CA LYS A 16 6.960 7.253 -4.606 1.00 0.00 C ATOM 225 C LYS A 16 5.820 7.381 -5.612 1.00 0.00 C ATOM 226 O LYS A 16 5.345 8.483 -5.894 1.00 0.00 O ATOM 227 CB LYS A 16 8.302 7.296 -5.337 1.00 0.00 C ATOM 228 CG LYS A 16 8.475 8.660 -6.008 1.00 0.00 C ATOM 229 CD LYS A 16 9.849 8.729 -6.676 1.00 0.00 C ATOM 230 CE LYS A 16 10.025 10.094 -7.345 1.00 0.00 C ATOM 231 NZ LYS A 16 9.981 11.164 -6.308 1.00 0.00 N ATOM 0 H LYS A 16 7.620 5.362 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 16 6.907 8.086 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.116 7.119 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.347 6.503 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.691 8.815 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.378 9.456 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.633 8.572 -5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.945 7.935 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.974 10.129 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.238 10.254 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.410 12.032 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.993 11.352 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.510 10.855 -5.468 1.00 0.00 H new ATOM 245 N VAL A 17 5.380 6.243 -6.145 1.00 0.00 N ATOM 246 CA VAL A 17 4.278 6.239 -7.105 1.00 0.00 C ATOM 247 C VAL A 17 2.946 6.520 -6.404 1.00 0.00 C ATOM 248 O VAL A 17 2.118 7.287 -6.897 1.00 0.00 O ATOM 249 CB VAL A 17 4.214 4.896 -7.826 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.996 4.866 -8.751 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.488 4.711 -8.653 1.00 0.00 C ATOM 0 H VAL A 17 5.764 5.322 -5.932 1.00 0.00 H new ATOM 0 HA VAL A 17 4.457 7.028 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 17 4.129 4.092 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.953 3.906 -9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.089 5.004 -8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.077 5.667 -9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.449 3.753 -9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.568 5.516 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.356 4.732 -7.994 1.00 0.00 H new ATOM 261 N PHE A 18 2.748 5.885 -5.252 1.00 0.00 N ATOM 262 CA PHE A 18 1.517 6.070 -4.491 1.00 0.00 C ATOM 263 C PHE A 18 1.386 7.515 -4.030 1.00 0.00 C ATOM 264 O PHE A 18 0.313 8.110 -4.123 1.00 0.00 O ATOM 265 CB PHE A 18 1.504 5.130 -3.274 1.00 0.00 C ATOM 266 CG PHE A 18 1.087 3.742 -3.706 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.235 3.511 -4.106 1.00 0.00 C ATOM 268 CD2 PHE A 18 2.011 2.693 -3.704 1.00 0.00 C ATOM 269 CE1 PHE A 18 -0.632 2.232 -4.507 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.614 1.413 -4.106 1.00 0.00 C ATOM 271 CZ PHE A 18 0.294 1.183 -4.507 1.00 0.00 C ATOM 0 H PHE A 18 3.418 5.243 -4.828 1.00 0.00 H new ATOM 0 HA PHE A 18 0.672 5.832 -5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.493 5.097 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.816 5.508 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.949 4.322 -4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.030 2.870 -3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.651 2.054 -4.816 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.327 0.602 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.011 0.194 -4.817 1.00 0.00 H new ATOM 281 N ASP A 19 2.482 8.070 -3.526 1.00 0.00 N ATOM 282 CA ASP A 19 2.473 9.446 -3.048 1.00 0.00 C ATOM 283 C ASP A 19 2.604 10.417 -4.215 1.00 0.00 C ATOM 284 O ASP A 19 3.627 11.082 -4.371 1.00 0.00 O ATOM 285 CB ASP A 19 3.630 9.665 -2.072 1.00 0.00 C ATOM 286 CG ASP A 19 3.429 10.970 -1.311 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.503 11.692 -1.643 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.203 11.225 -0.404 1.00 0.00 O ATOM 0 H ASP A 19 3.380 7.593 -3.438 1.00 0.00 H new ATOM 0 HA ASP A 19 1.526 9.629 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.689 8.832 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.575 9.693 -2.615 1.00 0.00 H new ATOM 293 N LYS A 20 1.566 10.487 -5.038 1.00 0.00 N ATOM 294 CA LYS A 20 1.582 11.370 -6.195 1.00 0.00 C ATOM 295 C LYS A 20 1.802 12.809 -5.760 1.00 0.00 C ATOM 296 O LYS A 20 2.569 13.542 -6.384 1.00 0.00 O ATOM 297 CB LYS A 20 0.248 11.262 -6.944 1.00 0.00 C ATOM 298 CG LYS A 20 0.077 9.846 -7.523 1.00 0.00 C ATOM 299 CD LYS A 20 0.834 9.727 -8.851 1.00 0.00 C ATOM 300 CE LYS A 20 0.541 8.373 -9.485 1.00 0.00 C ATOM 301 NZ LYS A 20 -0.872 8.346 -9.958 1.00 0.00 N ATOM 0 H LYS A 20 0.708 9.947 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 20 2.398 11.071 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.576 11.488 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.213 11.998 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.451 9.107 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.981 9.633 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.534 10.529 -9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.905 9.837 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.219 8.195 -10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.710 7.576 -8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.982 7.608 -10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.502 8.141 -9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.119 9.270 -10.366 1.00 0.00 H new ATOM 315 N ASP A 21 1.129 13.209 -4.691 1.00 0.00 N ATOM 316 CA ASP A 21 1.259 14.569 -4.186 1.00 0.00 C ATOM 317 C ASP A 21 2.668 14.797 -3.652 1.00 0.00 C ATOM 318 O ASP A 21 3.080 15.938 -3.442 1.00 0.00 O ATOM 319 CB ASP A 21 0.249 14.811 -3.066 1.00 0.00 C ATOM 320 CG ASP A 21 -1.124 14.300 -3.485 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.569 14.665 -4.561 1.00 0.00 O ATOM 322 OD2 ASP A 21 -1.709 13.544 -2.723 1.00 0.00 O ATOM 0 H ASP A 21 0.491 12.616 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 21 1.066 15.263 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.573 14.304 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.196 15.875 -2.836 1.00 0.00 H new ATOM 327 N GLN A 22 3.399 13.704 -3.428 1.00 0.00 N ATOM 328 CA GLN A 22 4.762 13.801 -2.916 1.00 0.00 C ATOM 329 C GLN A 22 4.790 14.556 -1.594 1.00 0.00 C ATOM 330 O GLN A 22 5.758 15.252 -1.289 1.00 0.00 O ATOM 331 CB GLN A 22 5.658 14.513 -3.933 1.00 0.00 C ATOM 332 CG GLN A 22 5.828 13.631 -5.169 1.00 0.00 C ATOM 333 CD GLN A 22 6.687 14.346 -6.205 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.915 14.273 -6.151 1.00 0.00 O ATOM 335 NE2 GLN A 22 6.113 15.037 -7.151 1.00 0.00 N ATOM 0 H GLN A 22 3.072 12.752 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 22 5.135 12.790 -2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.218 15.470 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.630 14.727 -3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.292 12.685 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.853 13.394 -5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.096 15.096 -7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.682 15.518 -7.848 1.00 0.00 H new ATOM 344 N ASN A 23 3.726 14.415 -0.811 1.00 0.00 N ATOM 345 CA ASN A 23 3.637 15.088 0.484 1.00 0.00 C ATOM 346 C ASN A 23 4.103 14.163 1.602 1.00 0.00 C ATOM 347 O ASN A 23 4.079 14.531 2.776 1.00 0.00 O ATOM 348 CB ASN A 23 2.194 15.522 0.745 1.00 0.00 C ATOM 349 CG ASN A 23 1.256 14.322 0.627 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.512 13.401 -0.152 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.176 14.280 1.357 1.00 0.00 N ATOM 0 H ASN A 23 2.915 13.843 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 23 4.283 15.966 0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.112 15.961 1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.903 16.293 0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.458 13.485 1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.034 15.043 2.001 1.00 0.00 H new ATOM 358 N GLY A 24 4.532 12.962 1.229 1.00 0.00 N ATOM 359 CA GLY A 24 5.005 11.990 2.208 1.00 0.00 C ATOM 360 C GLY A 24 3.835 11.287 2.886 1.00 0.00 C ATOM 361 O GLY A 24 4.005 10.629 3.911 1.00 0.00 O ATOM 0 H GLY A 24 4.562 12.640 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.642 11.254 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.617 12.491 2.958 1.00 0.00 H new ATOM 365 N TYR A 25 2.647 11.432 2.309 1.00 0.00 N ATOM 366 CA TYR A 25 1.447 10.806 2.868 1.00 0.00 C ATOM 367 C TYR A 25 0.560 10.276 1.756 1.00 0.00 C ATOM 368 O TYR A 25 0.410 10.912 0.720 1.00 0.00 O ATOM 369 CB TYR A 25 0.672 11.830 3.706 1.00 0.00 C ATOM 370 CG TYR A 25 1.311 11.961 5.069 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.477 12.719 5.224 1.00 0.00 C ATOM 372 CD2 TYR A 25 0.743 11.316 6.173 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.074 12.834 6.483 1.00 0.00 C ATOM 374 CE2 TYR A 25 1.340 11.430 7.432 1.00 0.00 C ATOM 375 CZ TYR A 25 2.506 12.189 7.588 1.00 0.00 C ATOM 376 OH TYR A 25 3.093 12.302 8.832 1.00 0.00 O ATOM 0 H TYR A 25 2.486 11.973 1.460 1.00 0.00 H new ATOM 0 HA TYR A 25 1.749 9.973 3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.666 12.797 3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.367 11.518 3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.916 13.215 4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.156 10.730 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.973 13.420 6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.902 10.932 8.284 1.00 0.00 H new ATOM 0 HH TYR A 25 3.677 11.531 8.989 1.00 0.00 H new ATOM 386 N ILE A 26 -0.031 9.105 1.983 1.00 0.00 N ATOM 387 CA ILE A 26 -0.916 8.489 0.989 1.00 0.00 C ATOM 388 C ILE A 26 -2.362 8.568 1.452 1.00 0.00 C ATOM 389 O ILE A 26 -2.674 8.247 2.597 1.00 0.00 O ATOM 390 CB ILE A 26 -0.525 7.034 0.771 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.887 6.968 0.184 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.513 6.381 -0.197 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.391 5.525 0.233 1.00 0.00 C ATOM 0 H ILE A 26 0.084 8.564 2.840 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.814 9.031 0.049 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.547 6.504 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.882 7.328 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.557 7.618 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.234 5.339 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.518 6.428 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.492 6.910 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.397 5.476 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.411 5.181 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.725 4.887 -0.349 1.00 0.00 H new ATOM 405 N SER A 27 -3.242 9.007 0.553 1.00 0.00 N ATOM 406 CA SER A 27 -4.667 9.132 0.870 1.00 0.00 C ATOM 407 C SER A 27 -5.476 8.092 0.105 1.00 0.00 C ATOM 408 O SER A 27 -4.929 7.110 -0.397 1.00 0.00 O ATOM 409 CB SER A 27 -5.159 10.534 0.513 1.00 0.00 C ATOM 410 OG SER A 27 -6.400 10.769 1.163 1.00 0.00 O ATOM 0 H SER A 27 -2.996 9.282 -0.398 1.00 0.00 H new ATOM 0 HA SER A 27 -4.801 8.964 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.426 11.280 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.276 10.628 -0.567 1.00 0.00 H new ATOM 0 HG SER A 27 -6.721 11.668 0.940 1.00 0.00 H new ATOM 416 N ALA A 28 -6.781 8.314 0.023 1.00 0.00 N ATOM 417 CA ALA A 28 -7.667 7.387 -0.682 1.00 0.00 C ATOM 418 C ALA A 28 -7.709 7.712 -2.172 1.00 0.00 C ATOM 419 O ALA A 28 -7.819 6.817 -3.008 1.00 0.00 O ATOM 420 CB ALA A 28 -9.081 7.481 -0.099 1.00 0.00 C ATOM 0 H ALA A 28 -7.251 9.122 0.432 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.283 6.375 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.739 6.790 -0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.056 7.222 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.456 8.498 -0.215 1.00 0.00 H new ATOM 426 N SER A 29 -7.632 8.998 -2.497 1.00 0.00 N ATOM 427 CA SER A 29 -7.685 9.426 -3.890 1.00 0.00 C ATOM 428 C SER A 29 -6.557 8.790 -4.692 1.00 0.00 C ATOM 429 O SER A 29 -6.775 8.281 -5.792 1.00 0.00 O ATOM 430 CB SER A 29 -7.569 10.948 -3.971 1.00 0.00 C ATOM 431 OG SER A 29 -7.628 11.352 -5.333 1.00 0.00 O ATOM 0 H SER A 29 -7.534 9.756 -1.822 1.00 0.00 H new ATOM 0 HA SER A 29 -8.639 9.108 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.375 11.416 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.632 11.277 -3.522 1.00 0.00 H new ATOM 0 HG SER A 29 -7.555 12.328 -5.388 1.00 0.00 H new ATOM 437 N GLU A 30 -5.353 8.815 -4.132 1.00 0.00 N ATOM 438 CA GLU A 30 -4.203 8.230 -4.805 1.00 0.00 C ATOM 439 C GLU A 30 -4.287 6.709 -4.809 1.00 0.00 C ATOM 440 O GLU A 30 -4.016 6.066 -5.822 1.00 0.00 O ATOM 441 CB GLU A 30 -2.910 8.673 -4.112 1.00 0.00 C ATOM 442 CG GLU A 30 -2.631 10.140 -4.437 1.00 0.00 C ATOM 443 CD GLU A 30 -1.360 10.597 -3.734 1.00 0.00 C ATOM 444 OE1 GLU A 30 -0.826 9.829 -2.952 1.00 0.00 O ATOM 445 OE2 GLU A 30 -0.944 11.715 -3.979 1.00 0.00 O ATOM 0 H GLU A 30 -5.150 9.230 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.201 8.578 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.999 8.539 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.077 8.052 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.527 10.269 -5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.472 10.757 -4.122 1.00 0.00 H new ATOM 452 N LEU A 31 -4.657 6.140 -3.670 1.00 0.00 N ATOM 453 CA LEU A 31 -4.753 4.695 -3.559 1.00 0.00 C ATOM 454 C LEU A 31 -5.805 4.155 -4.521 1.00 0.00 C ATOM 455 O LEU A 31 -5.563 3.184 -5.244 1.00 0.00 O ATOM 456 CB LEU A 31 -5.128 4.313 -2.125 1.00 0.00 C ATOM 457 CG LEU A 31 -4.965 2.794 -1.927 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.482 2.446 -1.716 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.778 2.340 -0.706 1.00 0.00 C ATOM 0 H LEU A 31 -4.893 6.652 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.787 4.260 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.495 4.850 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.157 4.607 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.329 2.280 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.377 1.370 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.908 2.757 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.109 2.964 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.660 1.265 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.421 2.860 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.831 2.572 -0.863 1.00 0.00 H new ATOM 471 N ARG A 32 -6.968 4.792 -4.533 1.00 0.00 N ATOM 472 CA ARG A 32 -8.035 4.371 -5.416 1.00 0.00 C ATOM 473 C ARG A 32 -7.620 4.534 -6.874 1.00 0.00 C ATOM 474 O ARG A 32 -7.878 3.661 -7.705 1.00 0.00 O ATOM 475 CB ARG A 32 -9.298 5.201 -5.144 1.00 0.00 C ATOM 476 CG ARG A 32 -10.374 4.878 -6.187 1.00 0.00 C ATOM 477 CD ARG A 32 -10.723 3.388 -6.130 1.00 0.00 C ATOM 478 NE ARG A 32 -12.014 3.149 -6.755 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.138 3.570 -6.187 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.094 4.215 -5.053 1.00 0.00 N ATOM 481 NH2 ARG A 32 -14.284 3.341 -6.764 1.00 0.00 N ATOM 0 H ARG A 32 -7.191 5.595 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.245 3.318 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.674 4.988 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.058 6.264 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.265 5.477 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.017 5.139 -7.183 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.953 2.807 -6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.745 3.052 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.057 2.650 -7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.196 4.396 -4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.957 4.539 -4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.317 2.839 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.148 3.664 -6.328 1.00 0.00 H new ATOM 495 N HIS A 33 -6.998 5.665 -7.183 1.00 0.00 N ATOM 496 CA HIS A 33 -6.576 5.939 -8.551 1.00 0.00 C ATOM 497 C HIS A 33 -5.635 4.852 -9.044 1.00 0.00 C ATOM 498 O HIS A 33 -5.730 4.401 -10.186 1.00 0.00 O ATOM 499 CB HIS A 33 -5.872 7.299 -8.609 1.00 0.00 C ATOM 500 CG HIS A 33 -6.891 8.401 -8.492 1.00 0.00 C ATOM 501 ND1 HIS A 33 -8.107 8.217 -7.855 1.00 0.00 N ATOM 502 CD2 HIS A 33 -6.887 9.703 -8.926 1.00 0.00 C ATOM 503 CE1 HIS A 33 -8.781 9.380 -7.923 1.00 0.00 C ATOM 504 NE2 HIS A 33 -8.082 10.319 -8.566 1.00 0.00 N ATOM 0 H HIS A 33 -6.776 6.401 -6.512 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.456 5.957 -9.194 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.143 7.377 -7.802 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.323 7.396 -9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.080 10.177 -9.465 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.766 9.535 -7.508 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.364 11.281 -8.753 1.00 0.00 H new ATOM 512 N VAL A 34 -4.728 4.434 -8.178 1.00 0.00 N ATOM 513 CA VAL A 34 -3.766 3.393 -8.529 1.00 0.00 C ATOM 514 C VAL A 34 -4.476 2.063 -8.756 1.00 0.00 C ATOM 515 O VAL A 34 -4.147 1.316 -9.682 1.00 0.00 O ATOM 516 CB VAL A 34 -2.715 3.243 -7.423 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.819 2.034 -7.723 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.853 4.508 -7.361 1.00 0.00 C ATOM 0 H VAL A 34 -4.634 4.795 -7.229 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.267 3.685 -9.453 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.218 3.095 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.073 1.930 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.429 1.131 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.318 2.181 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.106 4.401 -6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.353 4.655 -8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.486 5.369 -7.146 1.00 0.00 H new ATOM 528 N MET A 35 -5.445 1.764 -7.895 1.00 0.00 N ATOM 529 CA MET A 35 -6.178 0.510 -8.003 1.00 0.00 C ATOM 530 C MET A 35 -6.893 0.432 -9.346 1.00 0.00 C ATOM 531 O MET A 35 -6.905 -0.615 -9.993 1.00 0.00 O ATOM 532 CB MET A 35 -7.202 0.418 -6.864 1.00 0.00 C ATOM 533 CG MET A 35 -6.484 0.082 -5.555 1.00 0.00 C ATOM 534 SD MET A 35 -5.892 -1.627 -5.609 1.00 0.00 S ATOM 535 CE MET A 35 -5.106 -1.648 -3.979 1.00 0.00 C ATOM 0 H MET A 35 -5.737 2.365 -7.125 1.00 0.00 H new ATOM 0 HA MET A 35 -5.476 -0.321 -7.931 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.737 1.362 -6.765 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.945 -0.347 -7.090 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.647 0.763 -5.403 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.162 0.216 -4.712 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.920 -2.679 -3.678 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.161 -1.107 -4.024 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.763 -1.171 -3.252 1.00 0.00 H new ATOM 545 N ILE A 36 -7.482 1.543 -9.765 1.00 0.00 N ATOM 546 CA ILE A 36 -8.187 1.585 -11.040 1.00 0.00 C ATOM 547 C ILE A 36 -7.211 1.438 -12.199 1.00 0.00 C ATOM 548 O ILE A 36 -7.480 0.719 -13.162 1.00 0.00 O ATOM 549 CB ILE A 36 -8.954 2.906 -11.173 1.00 0.00 C ATOM 550 CG1 ILE A 36 -10.054 2.966 -10.103 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.596 2.995 -12.562 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.056 1.807 -10.273 1.00 0.00 C ATOM 0 H ILE A 36 -7.487 2.421 -9.246 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.892 0.754 -11.070 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.263 3.738 -11.039 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.604 2.920 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.580 3.918 -10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.140 3.935 -12.652 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.819 2.951 -13.325 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.286 2.162 -12.698 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.824 1.874 -9.502 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.522 1.870 -11.256 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.531 0.856 -10.181 1.00 0.00 H new ATOM 564 N ASN A 37 -6.084 2.131 -12.101 1.00 0.00 N ATOM 565 CA ASN A 37 -5.073 2.082 -13.151 1.00 0.00 C ATOM 566 C ASN A 37 -4.581 0.653 -13.341 1.00 0.00 C ATOM 567 O ASN A 37 -4.202 0.257 -14.445 1.00 0.00 O ATOM 568 CB ASN A 37 -3.897 2.988 -12.789 1.00 0.00 C ATOM 569 CG ASN A 37 -4.317 4.451 -12.887 1.00 0.00 C ATOM 570 OD1 ASN A 37 -5.185 4.798 -13.687 1.00 0.00 O ATOM 571 ND2 ASN A 37 -3.749 5.335 -12.113 1.00 0.00 N ATOM 0 H ASN A 37 -5.847 2.730 -11.311 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.520 2.431 -14.082 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.554 2.766 -11.778 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.059 2.796 -13.459 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.024 6.315 -12.171 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.030 5.045 -11.450 1.00 0.00 H new ATOM 578 N LEU A 38 -4.594 -0.120 -12.260 1.00 0.00 N ATOM 579 CA LEU A 38 -4.152 -1.509 -12.323 1.00 0.00 C ATOM 580 C LEU A 38 -5.220 -2.389 -12.959 1.00 0.00 C ATOM 581 O LEU A 38 -5.074 -3.610 -13.018 1.00 0.00 O ATOM 582 CB LEU A 38 -3.838 -2.018 -10.916 1.00 0.00 C ATOM 583 CG LEU A 38 -2.580 -1.318 -10.384 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.470 -1.549 -8.874 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.324 -1.877 -11.080 1.00 0.00 C ATOM 0 H LEU A 38 -4.903 0.188 -11.338 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.253 -1.555 -12.937 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.681 -1.826 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.686 -3.097 -10.934 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.654 -0.250 -10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.577 -1.053 -8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.351 -1.141 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.404 -2.618 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.439 -1.372 -10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.246 -2.947 -10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.398 -1.708 -12.154 1.00 0.00 H new ATOM 597 N GLY A 39 -6.286 -1.762 -13.436 1.00 0.00 N ATOM 598 CA GLY A 39 -7.371 -2.499 -14.071 1.00 0.00 C ATOM 599 C GLY A 39 -8.231 -3.201 -13.033 1.00 0.00 C ATOM 600 O GLY A 39 -8.929 -4.162 -13.343 1.00 0.00 O ATOM 0 H GLY A 39 -6.423 -0.752 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.986 -1.816 -14.657 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.960 -3.232 -14.765 1.00 0.00 H new ATOM 604 N GLU A 40 -8.173 -2.717 -11.794 1.00 0.00 N ATOM 605 CA GLU A 40 -8.952 -3.308 -10.702 1.00 0.00 C ATOM 606 C GLU A 40 -10.013 -2.333 -10.222 1.00 0.00 C ATOM 607 O GLU A 40 -9.732 -1.154 -10.010 1.00 0.00 O ATOM 608 CB GLU A 40 -8.029 -3.664 -9.540 1.00 0.00 C ATOM 609 CG GLU A 40 -7.111 -4.816 -9.955 1.00 0.00 C ATOM 610 CD GLU A 40 -6.122 -5.122 -8.836 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.224 -4.497 -7.795 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.275 -5.976 -9.040 1.00 0.00 O ATOM 0 H GLU A 40 -7.598 -1.921 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.439 -4.211 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.435 -2.796 -9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.617 -3.949 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.704 -5.702 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.573 -4.553 -10.866 1.00 0.00 H new ATOM 619 N LYS A 41 -11.238 -2.831 -10.055 1.00 0.00 N ATOM 620 CA LYS A 41 -12.342 -1.994 -9.593 1.00 0.00 C ATOM 621 C LYS A 41 -12.764 -2.410 -8.192 1.00 0.00 C ATOM 622 O LYS A 41 -13.502 -3.378 -8.018 1.00 0.00 O ATOM 623 CB LYS A 41 -13.535 -2.123 -10.561 1.00 0.00 C ATOM 624 CG LYS A 41 -14.335 -0.818 -10.578 1.00 0.00 C ATOM 625 CD LYS A 41 -14.896 -0.547 -9.179 1.00 0.00 C ATOM 626 CE LYS A 41 -15.946 0.560 -9.258 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.206 0.002 -9.824 1.00 0.00 N ATOM 0 H LYS A 41 -11.489 -3.804 -10.232 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.012 -0.955 -9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.177 -2.354 -11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.176 -2.949 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.697 0.008 -10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.148 -0.886 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.339 -1.455 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.092 -0.253 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.131 0.974 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.584 1.377 -9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.995 0.648 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.106 -0.106 -10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.398 -0.926 -9.395 1.00 0.00 H new ATOM 641 N LEU A 42 -12.291 -1.673 -7.193 1.00 0.00 N ATOM 642 CA LEU A 42 -12.621 -1.981 -5.804 1.00 0.00 C ATOM 643 C LEU A 42 -13.663 -1.001 -5.288 1.00 0.00 C ATOM 644 O LEU A 42 -14.204 -0.201 -6.048 1.00 0.00 O ATOM 645 CB LEU A 42 -11.363 -1.885 -4.940 1.00 0.00 C ATOM 646 CG LEU A 42 -10.237 -2.697 -5.589 1.00 0.00 C ATOM 647 CD1 LEU A 42 -8.973 -2.586 -4.736 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.657 -4.169 -5.699 1.00 0.00 C ATOM 0 H LEU A 42 -11.682 -0.864 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.022 -2.993 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.060 -0.843 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.567 -2.262 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.038 -2.306 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.171 -3.163 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.673 -1.541 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.173 -2.975 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.854 -4.743 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.860 -4.565 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.556 -4.246 -6.310 1.00 0.00 H new ATOM 660 N THR A 43 -13.947 -1.082 -3.993 1.00 0.00 N ATOM 661 CA THR A 43 -14.938 -0.201 -3.366 1.00 0.00 C ATOM 662 C THR A 43 -14.278 0.730 -2.355 1.00 0.00 C ATOM 663 O THR A 43 -13.240 0.411 -1.782 1.00 0.00 O ATOM 664 CB THR A 43 -16.018 -1.043 -2.672 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.158 -2.284 -3.355 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.353 -0.296 -2.692 1.00 0.00 C ATOM 0 H THR A 43 -13.509 -1.746 -3.354 1.00 0.00 H new ATOM 0 HA THR A 43 -15.397 0.409 -4.145 1.00 0.00 H new ATOM 0 HB THR A 43 -15.725 -1.223 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.846 -2.825 -2.913 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.115 -0.899 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.246 0.654 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.650 -0.110 -3.724 1.00 0.00 H new ATOM 674 N ASP A 44 -14.896 1.878 -2.141 1.00 0.00 N ATOM 675 CA ASP A 44 -14.368 2.854 -1.193 1.00 0.00 C ATOM 676 C ASP A 44 -14.110 2.190 0.158 1.00 0.00 C ATOM 677 O ASP A 44 -13.098 2.453 0.806 1.00 0.00 O ATOM 678 CB ASP A 44 -15.362 4.004 -1.012 1.00 0.00 C ATOM 679 CG ASP A 44 -15.383 4.876 -2.263 1.00 0.00 C ATOM 680 OD1 ASP A 44 -14.463 4.765 -3.055 1.00 0.00 O ATOM 681 OD2 ASP A 44 -16.324 5.639 -2.412 1.00 0.00 O ATOM 0 H ASP A 44 -15.759 2.160 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.430 3.246 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.359 3.607 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.084 4.603 -0.145 1.00 0.00 H new ATOM 686 N GLU A 45 -15.029 1.330 0.575 1.00 0.00 N ATOM 687 CA GLU A 45 -14.887 0.637 1.851 1.00 0.00 C ATOM 688 C GLU A 45 -13.531 -0.054 1.934 1.00 0.00 C ATOM 689 O GLU A 45 -12.866 -0.008 2.968 1.00 0.00 O ATOM 690 CB GLU A 45 -16.000 -0.403 2.003 1.00 0.00 C ATOM 691 CG GLU A 45 -17.359 0.300 2.056 1.00 0.00 C ATOM 692 CD GLU A 45 -17.460 1.146 3.321 1.00 0.00 C ATOM 693 OE1 GLU A 45 -16.727 0.868 4.256 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.267 2.060 3.337 1.00 0.00 O ATOM 0 H GLU A 45 -15.874 1.096 0.055 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.960 1.370 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.974 -1.103 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.845 -0.985 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.486 0.930 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.161 -0.438 2.038 1.00 0.00 H new ATOM 701 N GLU A 46 -13.126 -0.692 0.845 1.00 0.00 N ATOM 702 CA GLU A 46 -11.844 -1.390 0.814 1.00 0.00 C ATOM 703 C GLU A 46 -10.696 -0.410 1.044 1.00 0.00 C ATOM 704 O GLU A 46 -9.738 -0.711 1.764 1.00 0.00 O ATOM 705 CB GLU A 46 -11.663 -2.081 -0.541 1.00 0.00 C ATOM 706 CG GLU A 46 -12.744 -3.151 -0.719 1.00 0.00 C ATOM 707 CD GLU A 46 -12.542 -4.271 0.296 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.446 -4.377 0.820 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.486 -5.006 0.533 1.00 0.00 O ATOM 0 H GLU A 46 -13.660 -0.742 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.835 -2.136 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.726 -1.348 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.674 -2.535 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.731 -2.707 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.705 -3.555 -1.731 1.00 0.00 H new ATOM 716 N VAL A 47 -10.798 0.767 0.434 1.00 0.00 N ATOM 717 CA VAL A 47 -9.763 1.779 0.585 1.00 0.00 C ATOM 718 C VAL A 47 -9.640 2.207 2.044 1.00 0.00 C ATOM 719 O VAL A 47 -8.539 2.285 2.587 1.00 0.00 O ATOM 720 CB VAL A 47 -10.092 2.998 -0.284 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.131 4.145 0.045 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.952 2.625 -1.759 1.00 0.00 C ATOM 0 H VAL A 47 -11.579 1.040 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.813 1.351 0.264 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.115 3.317 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.369 5.009 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.232 4.414 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.106 3.829 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.186 3.492 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.930 2.303 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.640 1.814 -1.996 1.00 0.00 H new ATOM 732 N GLU A 48 -10.778 2.485 2.675 1.00 0.00 N ATOM 733 CA GLU A 48 -10.778 2.909 4.070 1.00 0.00 C ATOM 734 C GLU A 48 -10.211 1.808 4.958 1.00 0.00 C ATOM 735 O GLU A 48 -9.352 2.059 5.802 1.00 0.00 O ATOM 736 CB GLU A 48 -12.203 3.242 4.510 1.00 0.00 C ATOM 737 CG GLU A 48 -12.688 4.491 3.770 1.00 0.00 C ATOM 738 CD GLU A 48 -14.140 4.782 4.133 1.00 0.00 C ATOM 739 OE1 GLU A 48 -14.675 4.071 4.969 1.00 0.00 O ATOM 740 OE2 GLU A 48 -14.696 5.712 3.572 1.00 0.00 O ATOM 0 H GLU A 48 -11.702 2.425 2.247 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.153 3.797 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.865 2.402 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.233 3.410 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.062 5.344 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.596 4.345 2.694 1.00 0.00 H new ATOM 747 N GLN A 49 -10.695 0.585 4.759 1.00 0.00 N ATOM 748 CA GLN A 49 -10.223 -0.547 5.547 1.00 0.00 C ATOM 749 C GLN A 49 -8.703 -0.644 5.476 1.00 0.00 C ATOM 750 O GLN A 49 -8.034 -0.944 6.463 1.00 0.00 O ATOM 751 CB GLN A 49 -10.848 -1.842 5.021 1.00 0.00 C ATOM 752 CG GLN A 49 -12.332 -1.890 5.388 1.00 0.00 C ATOM 753 CD GLN A 49 -12.492 -2.089 6.891 1.00 0.00 C ATOM 754 OE1 GLN A 49 -11.888 -2.995 7.464 1.00 0.00 O ATOM 755 NE2 GLN A 49 -13.274 -1.294 7.567 1.00 0.00 N ATOM 0 H GLN A 49 -11.407 0.355 4.066 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.519 -0.399 6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.730 -1.900 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.332 -2.703 5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.821 -0.965 5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.822 -2.703 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.774 -0.544 7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.386 -1.423 8.573 1.00 0.00 H new ATOM 764 N MET A 50 -8.153 -0.384 4.305 1.00 0.00 N ATOM 765 CA MET A 50 -6.706 -0.435 4.135 1.00 0.00 C ATOM 766 C MET A 50 -6.022 0.739 4.839 1.00 0.00 C ATOM 767 O MET A 50 -4.984 0.573 5.487 1.00 0.00 O ATOM 768 CB MET A 50 -6.363 -0.390 2.649 1.00 0.00 C ATOM 769 CG MET A 50 -6.761 -1.711 1.995 1.00 0.00 C ATOM 770 SD MET A 50 -6.563 -1.584 0.198 1.00 0.00 S ATOM 771 CE MET A 50 -4.755 -1.577 0.155 1.00 0.00 C ATOM 0 H MET A 50 -8.675 -0.138 3.464 1.00 0.00 H new ATOM 0 HA MET A 50 -6.348 -1.364 4.579 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.885 0.438 2.169 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.296 -0.213 2.516 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.143 -2.521 2.383 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.795 -1.953 2.241 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.415 -1.629 -0.879 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.384 -0.660 0.613 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.375 -2.438 0.705 1.00 0.00 H new ATOM 781 N ILE A 51 -6.614 1.923 4.710 1.00 0.00 N ATOM 782 CA ILE A 51 -6.053 3.115 5.334 1.00 0.00 C ATOM 783 C ILE A 51 -6.119 3.027 6.854 1.00 0.00 C ATOM 784 O ILE A 51 -5.155 3.357 7.542 1.00 0.00 O ATOM 785 CB ILE A 51 -6.810 4.359 4.858 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.518 4.595 3.374 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.359 5.583 5.666 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.461 5.667 2.835 1.00 0.00 C ATOM 0 H ILE A 51 -7.474 2.081 4.184 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.006 3.187 5.040 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.880 4.206 5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.482 4.907 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.646 3.668 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.900 6.465 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.567 5.418 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.289 5.737 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.254 5.836 1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.493 5.337 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.311 6.595 3.387 1.00 0.00 H new ATOM 800 N LYS A 52 -7.264 2.603 7.375 1.00 0.00 N ATOM 801 CA LYS A 52 -7.436 2.502 8.813 1.00 0.00 C ATOM 802 C LYS A 52 -6.454 1.486 9.393 1.00 0.00 C ATOM 803 O LYS A 52 -5.859 1.710 10.451 1.00 0.00 O ATOM 804 CB LYS A 52 -8.896 2.096 9.132 1.00 0.00 C ATOM 805 CG LYS A 52 -9.030 0.571 9.205 1.00 0.00 C ATOM 806 CD LYS A 52 -10.477 0.179 9.396 1.00 0.00 C ATOM 807 CE LYS A 52 -10.578 -1.347 9.403 1.00 0.00 C ATOM 808 NZ LYS A 52 -9.792 -1.893 10.549 1.00 0.00 N ATOM 0 H LYS A 52 -8.078 2.327 6.827 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.231 3.470 9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.203 2.539 10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.564 2.489 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.642 0.121 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.430 0.186 10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.858 0.587 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.089 0.594 8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.621 -1.653 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.200 -1.751 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.967 -2.412 10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.471 -1.110 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.390 -2.537 11.105 1.00 0.00 H new ATOM 822 N GLU A 53 -6.318 0.354 8.699 1.00 0.00 N ATOM 823 CA GLU A 53 -5.430 -0.702 9.165 1.00 0.00 C ATOM 824 C GLU A 53 -4.006 -0.186 9.232 1.00 0.00 C ATOM 825 O GLU A 53 -3.315 -0.366 10.234 1.00 0.00 O ATOM 826 CB GLU A 53 -5.507 -1.902 8.214 1.00 0.00 C ATOM 827 CG GLU A 53 -6.806 -2.670 8.453 1.00 0.00 C ATOM 828 CD GLU A 53 -6.732 -3.422 9.778 1.00 0.00 C ATOM 829 OE1 GLU A 53 -5.628 -3.662 10.237 1.00 0.00 O ATOM 830 OE2 GLU A 53 -7.779 -3.743 10.316 1.00 0.00 O ATOM 0 H GLU A 53 -6.805 0.151 7.826 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.741 -1.016 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.460 -1.561 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.651 -2.558 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.649 -1.980 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.979 -3.371 7.637 1.00 0.00 H new ATOM 837 N ALA A 54 -3.578 0.473 8.162 1.00 0.00 N ATOM 838 CA ALA A 54 -2.231 1.031 8.114 1.00 0.00 C ATOM 839 C ALA A 54 -2.107 2.232 9.041 1.00 0.00 C ATOM 840 O ALA A 54 -1.096 2.398 9.719 1.00 0.00 O ATOM 841 CB ALA A 54 -1.885 1.451 6.683 1.00 0.00 C ATOM 0 H ALA A 54 -4.137 0.633 7.324 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.534 0.261 8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.877 1.866 6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.935 0.582 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.596 2.204 6.343 1.00 0.00 H new ATOM 847 N ASP A 55 -3.138 3.064 9.058 1.00 0.00 N ATOM 848 CA ASP A 55 -3.137 4.253 9.901 1.00 0.00 C ATOM 849 C ASP A 55 -3.337 3.872 11.360 1.00 0.00 C ATOM 850 O ASP A 55 -4.362 3.301 11.725 1.00 0.00 O ATOM 851 CB ASP A 55 -4.255 5.202 9.469 1.00 0.00 C ATOM 852 CG ASP A 55 -4.230 6.458 10.329 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.475 6.483 11.287 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.963 7.379 10.012 1.00 0.00 O ATOM 0 H ASP A 55 -3.983 2.940 8.501 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.173 4.750 9.791 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.133 5.467 8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.221 4.706 9.562 1.00 0.00 H new ATOM 859 N LEU A 56 -2.352 4.195 12.194 1.00 0.00 N ATOM 860 CA LEU A 56 -2.432 3.887 13.623 1.00 0.00 C ATOM 861 C LEU A 56 -2.821 5.124 14.415 1.00 0.00 C ATOM 862 O LEU A 56 -3.088 5.036 15.611 1.00 0.00 O ATOM 863 CB LEU A 56 -1.078 3.359 14.123 1.00 0.00 C ATOM 864 CG LEU A 56 -0.948 1.866 13.800 1.00 0.00 C ATOM 865 CD1 LEU A 56 -0.880 1.671 12.286 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.320 1.315 14.447 1.00 0.00 C ATOM 0 H LEU A 56 -1.494 4.667 11.910 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.195 3.122 13.768 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.266 3.914 13.653 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.991 3.516 15.198 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.815 1.334 14.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.788 0.609 12.060 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.788 2.062 11.828 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.015 2.203 11.889 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.414 0.253 14.218 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.188 1.848 14.058 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.265 1.450 15.527 1.00 0.00 H new ATOM 878 N ASP A 57 -2.854 6.271 13.745 1.00 0.00 N ATOM 879 CA ASP A 57 -3.217 7.531 14.400 1.00 0.00 C ATOM 880 C ASP A 57 -4.543 8.050 13.861 1.00 0.00 C ATOM 881 O ASP A 57 -4.994 9.130 14.239 1.00 0.00 O ATOM 882 CB ASP A 57 -2.118 8.565 14.168 1.00 0.00 C ATOM 883 CG ASP A 57 -1.721 8.592 12.695 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.608 8.582 11.859 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.532 8.629 12.426 1.00 0.00 O ATOM 0 H ASP A 57 -2.635 6.358 12.753 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.325 7.353 15.470 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.466 9.551 14.476 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.249 8.327 14.782 1.00 0.00 H new ATOM 890 N GLY A 58 -5.167 7.273 12.980 1.00 0.00 N ATOM 891 CA GLY A 58 -6.446 7.669 12.402 1.00 0.00 C ATOM 892 C GLY A 58 -6.410 9.123 11.946 1.00 0.00 C ATOM 893 O GLY A 58 -7.279 9.914 12.305 1.00 0.00 O ATOM 0 H GLY A 58 -4.812 6.374 12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.682 7.024 11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.239 7.534 13.137 1.00 0.00 H new ATOM 897 N ASP A 59 -5.396 9.471 11.157 1.00 0.00 N ATOM 898 CA ASP A 59 -5.252 10.839 10.658 1.00 0.00 C ATOM 899 C ASP A 59 -5.839 10.961 9.258 1.00 0.00 C ATOM 900 O ASP A 59 -5.727 12.005 8.617 1.00 0.00 O ATOM 901 CB ASP A 59 -3.775 11.233 10.635 1.00 0.00 C ATOM 902 CG ASP A 59 -2.971 10.217 9.831 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.495 9.149 9.562 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.837 10.519 9.499 1.00 0.00 O ATOM 0 H ASP A 59 -4.665 8.829 10.850 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.794 11.510 11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.663 12.225 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.390 11.288 11.653 1.00 0.00 H new ATOM 909 N GLY A 60 -6.465 9.885 8.787 1.00 0.00 N ATOM 910 CA GLY A 60 -7.068 9.885 7.460 1.00 0.00 C ATOM 911 C GLY A 60 -6.009 9.710 6.383 1.00 0.00 C ATOM 912 O GLY A 60 -6.314 9.731 5.191 1.00 0.00 O ATOM 0 H GLY A 60 -6.567 9.010 9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.801 9.081 7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.604 10.820 7.300 1.00 0.00 H new ATOM 916 N GLN A 61 -4.758 9.546 6.804 1.00 0.00 N ATOM 917 CA GLN A 61 -3.656 9.376 5.858 1.00 0.00 C ATOM 918 C GLN A 61 -2.719 8.276 6.335 1.00 0.00 C ATOM 919 O GLN A 61 -2.736 7.901 7.509 1.00 0.00 O ATOM 920 CB GLN A 61 -2.877 10.683 5.735 1.00 0.00 C ATOM 921 CG GLN A 61 -3.833 11.819 5.392 1.00 0.00 C ATOM 922 CD GLN A 61 -3.069 13.131 5.252 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.838 13.139 5.280 1.00 0.00 O ATOM 924 NE2 GLN A 61 -3.727 14.250 5.111 1.00 0.00 N ATOM 0 H GLN A 61 -4.482 9.527 7.786 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.067 9.101 4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.360 10.899 6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.113 10.591 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.357 11.594 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.591 11.913 6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.747 14.243 5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.221 15.132 5.024 1.00 0.00 H new ATOM 933 N VAL A 62 -1.903 7.757 5.419 1.00 0.00 N ATOM 934 CA VAL A 62 -0.956 6.692 5.756 1.00 0.00 C ATOM 935 C VAL A 62 0.472 7.209 5.636 1.00 0.00 C ATOM 936 O VAL A 62 0.841 7.818 4.627 1.00 0.00 O ATOM 937 CB VAL A 62 -1.154 5.506 4.817 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.331 4.321 5.314 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.635 5.130 4.771 1.00 0.00 C ATOM 0 H VAL A 62 -1.877 8.053 4.443 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.135 6.371 6.782 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.824 5.776 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.472 3.473 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.724 4.594 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.656 4.048 6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.775 4.283 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.973 4.860 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.215 5.979 4.409 1.00 0.00 H new ATOM 949 N ASN A 63 1.267 6.972 6.678 1.00 0.00 N ATOM 950 CA ASN A 63 2.657 7.422 6.693 1.00 0.00 C ATOM 951 C ASN A 63 3.570 6.359 6.091 1.00 0.00 C ATOM 952 O ASN A 63 3.231 5.177 6.053 1.00 0.00 O ATOM 953 CB ASN A 63 3.088 7.720 8.129 1.00 0.00 C ATOM 954 CG ASN A 63 4.485 8.336 8.134 1.00 0.00 C ATOM 955 OD1 ASN A 63 4.632 9.540 8.342 1.00 0.00 O ATOM 956 ND2 ASN A 63 5.523 7.580 7.910 1.00 0.00 N ATOM 0 H ASN A 63 0.974 6.474 7.518 1.00 0.00 H new ATOM 0 HA ASN A 63 2.736 8.329 6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.378 8.402 8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.083 6.802 8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.459 7.986 7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.400 6.582 7.738 1.00 0.00 H new ATOM 963 N TYR A 64 4.732 6.787 5.613 1.00 0.00 N ATOM 964 CA TYR A 64 5.676 5.860 5.003 1.00 0.00 C ATOM 965 C TYR A 64 5.914 4.660 5.915 1.00 0.00 C ATOM 966 O TYR A 64 5.834 3.518 5.475 1.00 0.00 O ATOM 967 CB TYR A 64 7.012 6.575 4.752 1.00 0.00 C ATOM 968 CG TYR A 64 8.050 5.573 4.298 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.757 4.825 5.249 1.00 0.00 C ATOM 970 CD2 TYR A 64 8.304 5.389 2.934 1.00 0.00 C ATOM 971 CE1 TYR A 64 9.713 3.893 4.834 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.261 4.456 2.521 1.00 0.00 C ATOM 973 CZ TYR A 64 9.964 3.708 3.470 1.00 0.00 C ATOM 974 OH TYR A 64 10.908 2.788 3.061 1.00 0.00 O ATOM 0 H TYR A 64 5.041 7.759 5.635 1.00 0.00 H new ATOM 0 HA TYR A 64 5.258 5.511 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.885 7.349 3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.346 7.072 5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.564 4.968 6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.761 5.967 2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 64 10.258 3.316 5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.457 4.313 1.469 1.00 0.00 H new ATOM 0 HH TYR A 64 10.958 2.783 2.082 1.00 0.00 H new ATOM 984 N GLU A 65 6.206 4.924 7.182 1.00 0.00 N ATOM 985 CA GLU A 65 6.457 3.848 8.134 1.00 0.00 C ATOM 986 C GLU A 65 5.266 2.899 8.203 1.00 0.00 C ATOM 987 O GLU A 65 5.432 1.676 8.279 1.00 0.00 O ATOM 988 CB GLU A 65 6.735 4.446 9.520 1.00 0.00 C ATOM 989 CG GLU A 65 5.448 5.042 10.094 1.00 0.00 C ATOM 990 CD GLU A 65 5.753 5.849 11.347 1.00 0.00 C ATOM 991 OE1 GLU A 65 6.882 5.789 11.805 1.00 0.00 O ATOM 992 OE2 GLU A 65 4.852 6.511 11.834 1.00 0.00 O ATOM 0 H GLU A 65 6.275 5.864 7.572 1.00 0.00 H new ATOM 0 HA GLU A 65 7.326 3.280 7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.120 3.676 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.502 5.217 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.971 5.680 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.743 4.245 10.329 1.00 0.00 H new ATOM 999 N GLU A 66 4.063 3.469 8.177 1.00 0.00 N ATOM 1000 CA GLU A 66 2.850 2.668 8.240 1.00 0.00 C ATOM 1001 C GLU A 66 2.740 1.777 7.002 1.00 0.00 C ATOM 1002 O GLU A 66 2.328 0.618 7.080 1.00 0.00 O ATOM 1003 CB GLU A 66 1.623 3.583 8.334 1.00 0.00 C ATOM 1004 CG GLU A 66 1.621 4.308 9.681 1.00 0.00 C ATOM 1005 CD GLU A 66 0.486 5.330 9.727 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.216 5.455 8.738 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.337 5.975 10.750 1.00 0.00 O ATOM 0 H GLU A 66 3.906 4.475 8.113 1.00 0.00 H new ATOM 0 HA GLU A 66 2.893 2.036 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.635 4.308 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.711 2.996 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.504 3.587 10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.577 4.808 9.835 1.00 0.00 H new ATOM 1014 N PHE A 67 3.121 2.324 5.858 1.00 0.00 N ATOM 1015 CA PHE A 67 3.066 1.566 4.617 1.00 0.00 C ATOM 1016 C PHE A 67 4.034 0.386 4.662 1.00 0.00 C ATOM 1017 O PHE A 67 3.675 -0.741 4.330 1.00 0.00 O ATOM 1018 CB PHE A 67 3.416 2.471 3.436 1.00 0.00 C ATOM 1019 CG PHE A 67 3.181 1.728 2.143 1.00 0.00 C ATOM 1020 CD1 PHE A 67 4.201 0.945 1.591 1.00 0.00 C ATOM 1021 CD2 PHE A 67 1.947 1.824 1.494 1.00 0.00 C ATOM 1022 CE1 PHE A 67 3.986 0.258 0.391 1.00 0.00 C ATOM 1023 CE2 PHE A 67 1.730 1.137 0.292 1.00 0.00 C ATOM 1024 CZ PHE A 67 2.751 0.354 -0.259 1.00 0.00 C ATOM 0 H PHE A 67 3.468 3.278 5.762 1.00 0.00 H new ATOM 0 HA PHE A 67 2.053 1.183 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.807 3.375 3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.457 2.786 3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.155 0.871 2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.160 2.428 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.774 -0.347 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.776 1.212 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.585 -0.176 -1.185 1.00 0.00 H new ATOM 1034 N VAL A 68 5.265 0.658 5.076 1.00 0.00 N ATOM 1035 CA VAL A 68 6.281 -0.387 5.149 1.00 0.00 C ATOM 1036 C VAL A 68 5.850 -1.505 6.088 1.00 0.00 C ATOM 1037 O VAL A 68 5.582 -2.630 5.653 1.00 0.00 O ATOM 1038 CB VAL A 68 7.606 0.205 5.643 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.654 -0.907 5.758 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.097 1.281 4.655 1.00 0.00 C ATOM 0 H VAL A 68 5.583 1.583 5.364 1.00 0.00 H new ATOM 0 HA VAL A 68 6.410 -0.801 4.149 1.00 0.00 H new ATOM 0 HB VAL A 68 7.454 0.661 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.595 -0.485 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.308 -1.661 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.805 -1.367 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.039 1.699 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.247 0.832 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.353 2.074 4.582 1.00 0.00 H new ATOM 1050 N LYS A 69 5.799 -1.198 7.379 1.00 0.00 N ATOM 1051 CA LYS A 69 5.413 -2.195 8.370 1.00 0.00 C ATOM 1052 C LYS A 69 4.230 -3.018 7.869 1.00 0.00 C ATOM 1053 O LYS A 69 4.164 -4.231 8.087 1.00 0.00 O ATOM 1054 CB LYS A 69 5.054 -1.510 9.690 1.00 0.00 C ATOM 1055 CG LYS A 69 3.670 -0.868 9.586 1.00 0.00 C ATOM 1056 CD LYS A 69 3.425 0.040 10.785 1.00 0.00 C ATOM 1057 CE LYS A 69 3.548 -0.772 12.074 1.00 0.00 C ATOM 1058 NZ LYS A 69 2.892 -0.034 13.185 1.00 0.00 N ATOM 0 H LYS A 69 6.017 -0.278 7.761 1.00 0.00 H new ATOM 0 HA LYS A 69 6.257 -2.865 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.067 -2.237 10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.799 -0.751 9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.595 -0.293 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.903 -1.642 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.145 0.858 10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.434 0.488 10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.083 -1.750 11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.598 -0.947 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.254 -0.675 13.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.617 0.328 13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.346 0.762 12.798 1.00 0.00 H new ATOM 1072 N MET A 70 3.291 -2.349 7.203 1.00 0.00 N ATOM 1073 CA MET A 70 2.121 -3.038 6.682 1.00 0.00 C ATOM 1074 C MET A 70 2.511 -4.058 5.626 1.00 0.00 C ATOM 1075 O MET A 70 1.998 -5.172 5.614 1.00 0.00 O ATOM 1076 CB MET A 70 1.150 -2.016 6.078 1.00 0.00 C ATOM 1077 CG MET A 70 0.288 -1.390 7.173 1.00 0.00 C ATOM 1078 SD MET A 70 -0.815 -2.642 7.883 1.00 0.00 S ATOM 1079 CE MET A 70 -1.783 -2.980 6.394 1.00 0.00 C ATOM 0 H MET A 70 3.319 -1.347 7.015 1.00 0.00 H new ATOM 0 HA MET A 70 1.639 -3.566 7.505 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.708 -1.238 5.556 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.514 -2.502 5.339 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.924 -0.969 7.952 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.298 -0.568 6.761 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.846 -2.927 6.631 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.545 -2.241 5.629 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.543 -3.976 6.023 1.00 0.00 H new ATOM 1089 N MET A 71 3.422 -3.676 4.751 1.00 0.00 N ATOM 1090 CA MET A 71 3.877 -4.572 3.695 1.00 0.00 C ATOM 1091 C MET A 71 4.587 -5.782 4.286 1.00 0.00 C ATOM 1092 O MET A 71 4.568 -6.869 3.710 1.00 0.00 O ATOM 1093 CB MET A 71 4.821 -3.830 2.751 1.00 0.00 C ATOM 1094 CG MET A 71 4.029 -2.818 1.924 1.00 0.00 C ATOM 1095 SD MET A 71 2.961 -3.687 0.747 1.00 0.00 S ATOM 1096 CE MET A 71 4.104 -3.668 -0.654 1.00 0.00 C ATOM 0 H MET A 71 3.862 -2.756 4.747 1.00 0.00 H new ATOM 0 HA MET A 71 3.006 -4.917 3.137 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.596 -3.320 3.323 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.324 -4.538 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.427 -2.190 2.581 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.712 -2.157 1.390 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.609 -4.082 -1.533 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.410 -2.642 -0.860 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.982 -4.268 -0.415 1.00 0.00 H new ATOM 1106 N MET A 72 5.212 -5.585 5.439 1.00 0.00 N ATOM 1107 CA MET A 72 5.925 -6.677 6.101 1.00 0.00 C ATOM 1108 C MET A 72 4.948 -7.649 6.764 1.00 0.00 C ATOM 1109 O MET A 72 5.024 -8.861 6.554 1.00 0.00 O ATOM 1110 CB MET A 72 6.874 -6.105 7.163 1.00 0.00 C ATOM 1111 CG MET A 72 8.151 -5.600 6.491 1.00 0.00 C ATOM 1112 SD MET A 72 7.731 -4.298 5.306 1.00 0.00 S ATOM 1113 CE MET A 72 9.272 -4.347 4.362 1.00 0.00 C ATOM 0 H MET A 72 5.242 -4.693 5.933 1.00 0.00 H new ATOM 0 HA MET A 72 6.495 -7.219 5.346 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.387 -5.291 7.700 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.117 -6.872 7.899 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.842 -5.215 7.241 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.657 -6.421 5.982 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.232 -3.608 3.561 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.110 -4.122 5.022 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.404 -5.340 3.933 1.00 0.00 H new ATOM 1123 N THR A 73 4.036 -7.110 7.569 1.00 0.00 N ATOM 1124 CA THR A 73 3.061 -7.940 8.270 1.00 0.00 C ATOM 1125 C THR A 73 2.182 -8.686 7.275 1.00 0.00 C ATOM 1126 O THR A 73 1.713 -9.789 7.549 1.00 0.00 O ATOM 1127 CB THR A 73 2.190 -7.071 9.175 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.020 -6.243 9.980 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.335 -7.965 10.075 1.00 0.00 C ATOM 0 H THR A 73 3.952 -6.110 7.751 1.00 0.00 H new ATOM 0 HA THR A 73 3.600 -8.667 8.878 1.00 0.00 H new ATOM 0 HB THR A 73 1.540 -6.447 8.561 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.307 -5.463 9.460 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.714 -7.344 10.720 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.697 -8.599 9.458 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.984 -8.590 10.688 1.00 0.00 H new ATOM 1137 N VAL A 74 1.968 -8.077 6.118 1.00 0.00 N ATOM 1138 CA VAL A 74 1.145 -8.691 5.084 1.00 0.00 C ATOM 1139 C VAL A 74 1.757 -10.012 4.633 1.00 0.00 C ATOM 1140 O VAL A 74 1.041 -10.981 4.382 1.00 0.00 O ATOM 1141 CB VAL A 74 1.000 -7.736 3.890 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.440 -8.501 2.678 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.038 -6.583 4.262 1.00 0.00 C ATOM 0 H VAL A 74 2.350 -7.164 5.871 1.00 0.00 H new ATOM 0 HA VAL A 74 0.156 -8.891 5.497 1.00 0.00 H new ATOM 0 HB VAL A 74 1.978 -7.326 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.339 -7.820 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.120 -9.310 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.536 -8.916 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.064 -5.906 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.939 -6.993 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.438 -6.037 5.116 1.00 0.00 H new ATOM 1153 N ARG A 75 3.078 -10.038 4.512 1.00 0.00 N ATOM 1154 CA ARG A 75 3.764 -11.244 4.074 1.00 0.00 C ATOM 1155 C ARG A 75 3.561 -12.362 5.087 1.00 0.00 C ATOM 1156 O ARG A 75 3.443 -12.110 6.286 1.00 0.00 O ATOM 1157 CB ARG A 75 5.259 -10.958 3.917 1.00 0.00 C ATOM 1158 CG ARG A 75 5.475 -10.009 2.738 1.00 0.00 C ATOM 1159 CD ARG A 75 6.968 -9.705 2.594 1.00 0.00 C ATOM 1160 NE ARG A 75 7.185 -8.768 1.497 1.00 0.00 N ATOM 1161 CZ ARG A 75 7.246 -9.185 0.237 1.00 0.00 C ATOM 1162 NH1 ARG A 75 7.102 -10.453 -0.036 1.00 0.00 N ATOM 1163 NH2 ARG A 75 7.444 -8.327 -0.726 1.00 0.00 N ATOM 0 H ARG A 75 3.690 -9.246 4.709 1.00 0.00 H new ATOM 0 HA ARG A 75 3.351 -11.556 3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.653 -10.515 4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.803 -11.888 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.095 -10.459 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.918 -9.085 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.353 -9.285 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.519 -10.627 2.409 1.00 0.00 H new ATOM 0 HE ARG A 75 7.292 -7.774 1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.943 -11.122 0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.148 -10.775 -1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.552 -7.336 -0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.491 -8.648 -1.693 1.00 0.00 H new ATOM 1177 N GLY A 76 3.518 -13.597 4.599 1.00 0.00 N ATOM 1178 CA GLY A 76 3.325 -14.755 5.472 1.00 0.00 C ATOM 1179 C GLY A 76 1.851 -15.134 5.544 1.00 0.00 C ATOM 1180 O GLY A 76 1.505 -16.315 5.545 1.00 0.00 O ATOM 0 H GLY A 76 3.613 -13.824 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.905 -15.599 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.697 -14.530 6.471 1.00 0.00 H new ATOM 1184 N GLY A 77 0.986 -14.126 5.601 1.00 0.00 N ATOM 1185 CA GLY A 77 -0.453 -14.365 5.671 1.00 0.00 C ATOM 1186 C GLY A 77 -1.168 -13.190 6.329 1.00 0.00 C ATOM 1187 O GLY A 77 -2.322 -12.898 6.013 1.00 0.00 O ATOM 0 H GLY A 77 1.253 -13.142 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.849 -14.521 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.647 -15.277 6.236 1.00 0.00 H new ATOM 1191 N GLY A 78 -0.478 -12.520 7.248 1.00 0.00 N ATOM 1192 CA GLY A 78 -1.058 -11.381 7.945 1.00 0.00 C ATOM 1193 C GLY A 78 -1.556 -10.338 6.952 1.00 0.00 C ATOM 1194 O GLY A 78 -1.502 -10.547 5.742 1.00 0.00 O ATOM 0 H GLY A 78 0.477 -12.746 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.883 -11.715 8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.314 -10.935 8.606 1.00 0.00 H new ATOM 1198 N GLY A 79 -2.041 -9.215 7.471 1.00 0.00 N ATOM 1199 CA GLY A 79 -2.550 -8.139 6.621 1.00 0.00 C ATOM 1200 C GLY A 79 -4.058 -8.263 6.436 1.00 0.00 C ATOM 1201 O GLY A 79 -4.633 -9.333 6.641 1.00 0.00 O ATOM 0 H GLY A 79 -2.093 -9.024 8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.312 -7.173 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.056 -8.172 5.650 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.690 -7.163 6.046 1.00 0.00 N ATOM 1206 CA GLY A 80 -6.131 -7.156 5.835 1.00 0.00 C ATOM 1207 C GLY A 80 -6.491 -7.836 4.520 1.00 0.00 C ATOM 1208 O GLY A 80 -5.726 -8.648 4.003 1.00 0.00 O ATOM 0 H GLY A 80 -4.230 -6.270 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.626 -7.667 6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.497 -6.129 5.830 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.660 -7.500 3.982 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.112 -8.083 2.722 1.00 0.00 C ATOM 1214 C ASN A 81 -7.677 -7.219 1.541 1.00 0.00 C ATOM 1215 O ASN A 81 -7.398 -7.728 0.450 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.637 -8.210 2.728 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.072 -9.227 3.778 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -10.827 -8.893 4.691 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -9.641 -10.455 3.701 1.00 0.00 N ATOM 0 H ASN A 81 -8.309 -6.831 4.396 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.662 -9.070 2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.090 -7.241 2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.988 -8.519 1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.929 -11.141 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.015 -10.729 2.944 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.605 -5.910 1.766 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.193 -4.991 0.712 1.00 0.00 C ATOM 1228 C GLY A 82 -5.689 -5.073 0.457 1.00 0.00 C ATOM 1229 O GLY A 82 -5.241 -5.189 -0.692 1.00 0.00 O ATOM 0 H GLY A 82 -7.824 -5.467 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.732 -5.223 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.461 -3.972 0.990 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.911 -5.016 1.536 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.461 -5.086 1.419 1.00 0.00 C ATOM 1235 C TRP A 83 -3.046 -6.432 0.834 1.00 0.00 C ATOM 1236 O TRP A 83 -2.194 -6.500 -0.051 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.816 -4.891 2.792 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.104 -3.510 3.289 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.925 -3.210 4.326 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.598 -2.240 2.786 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.948 -1.838 4.492 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.148 -1.194 3.569 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.724 -1.894 1.741 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.841 0.147 3.319 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.414 -0.549 1.490 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.971 0.469 2.276 1.00 0.00 C ATOM 0 H TRP A 83 -5.258 -4.923 2.491 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.122 -4.293 0.752 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.202 -5.629 3.495 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.739 -5.047 2.725 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.471 -3.925 4.924 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.491 -1.359 5.210 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.288 -2.669 1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.273 0.927 3.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.741 -0.296 0.684 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.727 1.502 2.075 1.00 0.00 H new ATOM 1257 N SER A 84 -3.655 -7.501 1.338 1.00 0.00 N ATOM 1258 CA SER A 84 -3.348 -8.843 0.856 1.00 0.00 C ATOM 1259 C SER A 84 -3.715 -8.971 -0.620 1.00 0.00 C ATOM 1260 O SER A 84 -3.015 -9.635 -1.393 1.00 0.00 O ATOM 1261 CB SER A 84 -4.118 -9.883 1.672 1.00 0.00 C ATOM 1262 OG SER A 84 -3.580 -9.939 2.987 1.00 0.00 O ATOM 0 H SER A 84 -4.359 -7.465 2.075 1.00 0.00 H new ATOM 0 HA SER A 84 -2.278 -9.018 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.176 -9.622 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.048 -10.861 1.196 1.00 0.00 H new ATOM 0 HG SER A 84 -4.206 -9.522 3.615 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.817 -8.327 -1.010 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.260 -8.376 -2.398 1.00 0.00 C ATOM 1270 C ARG A 85 -4.210 -7.762 -3.309 1.00 0.00 C ATOM 1271 O ARG A 85 -3.913 -8.300 -4.379 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.585 -7.625 -2.544 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.082 -7.742 -3.985 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.499 -7.175 -4.084 1.00 0.00 C ATOM 1275 NE ARG A 85 -9.435 -8.036 -3.369 1.00 0.00 N ATOM 1276 CZ ARG A 85 -10.673 -7.632 -3.100 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -11.067 -6.447 -3.475 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -11.493 -8.421 -2.461 1.00 0.00 N ATOM 0 H ARG A 85 -5.410 -7.774 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.404 -9.417 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.326 -8.036 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.452 -6.576 -2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.415 -7.201 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.074 -8.785 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.526 -6.169 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.794 -7.094 -5.130 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.135 -8.964 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.426 -5.831 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.016 -6.136 -3.269 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.184 -9.348 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.443 -8.111 -2.255 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.650 -6.636 -2.884 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.630 -5.970 -3.676 1.00 0.00 C ATOM 1294 C LEU A 86 -1.340 -6.788 -3.675 1.00 0.00 C ATOM 1295 O LEU A 86 -0.707 -6.968 -4.698 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.349 -4.575 -3.109 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.459 -3.778 -4.083 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -2.266 -3.388 -5.341 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.952 -2.518 -3.383 1.00 0.00 C ATOM 0 H LEU A 86 -3.883 -6.171 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.994 -5.877 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.287 -4.045 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.857 -4.660 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.613 -4.395 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.628 -2.825 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.622 -4.290 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.118 -2.773 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.322 -1.950 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.800 -1.905 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.372 -2.799 -2.504 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.962 -7.285 -2.516 1.00 0.00 N ATOM 1312 CA ARG A 87 0.262 -8.075 -2.405 1.00 0.00 C ATOM 1313 C ARG A 87 0.104 -9.416 -3.104 1.00 0.00 C ATOM 1314 O ARG A 87 1.094 -10.097 -3.382 1.00 0.00 O ATOM 1315 CB ARG A 87 0.613 -8.271 -0.904 1.00 0.00 C ATOM 1316 CG ARG A 87 1.741 -7.309 -0.503 1.00 0.00 C ATOM 1317 CD ARG A 87 3.087 -7.855 -1.016 1.00 0.00 C ATOM 1318 NE ARG A 87 3.966 -6.754 -1.379 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.010 -6.950 -2.177 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.257 -8.145 -2.643 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.784 -5.949 -2.503 1.00 0.00 N ATOM 0 H ARG A 87 -1.473 -7.162 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 87 1.077 -7.543 -2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.268 -8.089 -0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.920 -9.301 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.555 -6.319 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.771 -7.198 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.557 -8.468 -0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.922 -8.499 -1.880 1.00 0.00 H new ATOM 0 HE ARG A 87 3.778 -5.819 -1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.649 -8.925 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.058 -8.298 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.587 -5.014 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.585 -6.102 -3.116 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.134 -9.787 -3.387 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.395 -11.041 -4.073 1.00 0.00 C ATOM 1337 C ARG A 88 -1.029 -10.909 -5.547 1.00 0.00 C ATOM 1338 O ARG A 88 -0.375 -11.780 -6.118 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.868 -11.419 -3.922 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.112 -12.779 -4.574 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.565 -13.195 -4.349 1.00 0.00 C ATOM 1342 NE ARG A 88 -4.802 -13.446 -2.932 1.00 0.00 N ATOM 1343 CZ ARG A 88 -6.011 -13.772 -2.486 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -7.010 -13.870 -3.321 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.198 -13.992 -1.213 1.00 0.00 N ATOM 0 H ARG A 88 -1.966 -9.244 -3.155 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.785 -11.828 -3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.139 -11.455 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.499 -10.662 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.898 -12.727 -5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.439 -13.524 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.235 -12.412 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.788 -14.092 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.028 -13.370 -2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.863 -13.696 -4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.938 -14.120 -2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.417 -13.914 -0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.125 -14.242 -0.870 1.00 0.00 H new ATOM 1359 N LYS A 89 -1.453 -9.807 -6.152 1.00 0.00 N ATOM 1360 CA LYS A 89 -1.155 -9.546 -7.555 1.00 0.00 C ATOM 1361 C LYS A 89 -0.812 -8.068 -7.747 1.00 0.00 C ATOM 1362 O LYS A 89 -1.698 -7.247 -7.981 1.00 0.00 O ATOM 1363 CB LYS A 89 -2.353 -9.924 -8.429 1.00 0.00 C ATOM 1364 CG LYS A 89 -1.994 -9.712 -9.930 1.00 0.00 C ATOM 1365 CD LYS A 89 -2.953 -8.700 -10.550 1.00 0.00 C ATOM 1366 CE LYS A 89 -2.523 -8.404 -11.980 1.00 0.00 C ATOM 1367 NZ LYS A 89 -1.112 -7.920 -11.981 1.00 0.00 N ATOM 0 H LYS A 89 -2.003 -9.080 -5.694 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.299 -10.152 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.629 -10.964 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.217 -9.315 -8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.967 -9.358 -10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.054 -10.659 -10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.970 -9.092 -10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.959 -7.782 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.612 -9.302 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.178 -7.652 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.007 -7.156 -12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.867 -7.561 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.476 -8.705 -12.229 1.00 0.00 H new ATOM 1381 N PHE A 90 0.475 -7.732 -7.657 1.00 0.00 N ATOM 1382 CA PHE A 90 0.913 -6.358 -7.839 1.00 0.00 C ATOM 1383 C PHE A 90 2.408 -6.310 -8.150 1.00 0.00 C ATOM 1384 O PHE A 90 2.814 -5.977 -9.266 1.00 0.00 O ATOM 1385 CB PHE A 90 0.632 -5.585 -6.568 1.00 0.00 C ATOM 1386 CG PHE A 90 1.200 -4.200 -6.665 1.00 0.00 C ATOM 1387 CD1 PHE A 90 0.698 -3.314 -7.615 1.00 0.00 C ATOM 1388 CD2 PHE A 90 2.223 -3.803 -5.800 1.00 0.00 C ATOM 1389 CE1 PHE A 90 1.221 -2.021 -7.710 1.00 0.00 C ATOM 1390 CE2 PHE A 90 2.748 -2.512 -5.890 1.00 0.00 C ATOM 1391 CZ PHE A 90 2.249 -1.621 -6.846 1.00 0.00 C ATOM 0 H PHE A 90 1.226 -8.393 -7.460 1.00 0.00 H new ATOM 0 HA PHE A 90 0.373 -5.915 -8.676 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.443 -5.533 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.067 -6.105 -5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.095 -3.626 -8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.607 -4.493 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.834 -1.333 -8.447 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.538 -2.202 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.657 -0.623 -6.918 1.00 0.00 H new ATOM 1401 N SER A 91 3.222 -6.638 -7.151 1.00 0.00 N ATOM 1402 CA SER A 91 4.670 -6.621 -7.321 1.00 0.00 C ATOM 1403 C SER A 91 5.117 -7.798 -8.179 1.00 0.00 C ATOM 1404 O SER A 91 4.332 -8.701 -8.463 1.00 0.00 O ATOM 1405 CB SER A 91 5.360 -6.691 -5.958 1.00 0.00 C ATOM 1406 OG SER A 91 4.806 -7.763 -5.206 1.00 0.00 O ATOM 0 H SER A 91 2.906 -6.917 -6.222 1.00 0.00 H new ATOM 0 HA SER A 91 4.948 -5.692 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.432 -6.838 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.230 -5.750 -5.423 1.00 0.00 H new ATOM 0 HG SER A 91 5.401 -8.540 -5.258 1.00 0.00 H new ATOM 1412 N SER A 92 6.379 -7.778 -8.593 1.00 0.00 N ATOM 1413 CA SER A 92 6.917 -8.852 -9.422 1.00 0.00 C ATOM 1414 C SER A 92 6.616 -10.212 -8.801 1.00 0.00 C ATOM 1415 O SER A 92 5.625 -10.811 -9.187 1.00 0.00 O ATOM 1416 CB SER A 92 8.428 -8.682 -9.577 1.00 0.00 C ATOM 1417 OG SER A 92 8.979 -9.867 -10.137 1.00 0.00 O ATOM 1418 OXT SER A 92 7.382 -10.635 -7.951 1.00 0.00 O ATOM 0 H SER A 92 7.044 -7.037 -8.371 1.00 0.00 H new ATOM 0 HA SER A 92 6.443 -8.802 -10.402 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.646 -7.828 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.884 -8.478 -8.608 1.00 0.00 H new ATOM 0 HG SER A 92 9.948 -9.761 -10.239 1.00 0.00 H new TER 1424 SER A 92 HETATM 1425 CA CA A 196 0.397 11.523 -1.721 1.00 0.00 CA HETATM 1426 CA CA A 209 -1.739 7.555 9.724 1.00 0.00 CA