USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 98 SER OG : rot 133:sc= -3.4! USER MOD Set 1.2: A 130 NCZ O2 : rot -113:sc= 1.09 USER MOD Set 2.1: A 36 GLN :FLIP amide:sc= -1.99! C(o=-3.4!,f=-2!) USER MOD Set 2.2: A 48 ASN :FLIP amide:sc=-0.000128 F(o=-4.3!,f=-2) USER MOD Set 3.1: A 27 GLN : amide:sc= -24.3! C(o=-23!,f=-28!) USER MOD Set 3.2: A 32 TYR OH : rot -131:sc= 1.02 USER MOD Set 4.1: A 11 SER OG : rot 170:sc= -0.0952 USER MOD Set 4.2: A 113 ASN : amide:sc= -0.48 K(o=-0.58,f=-5.5!) USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.134 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 6 THR OG1 : rot -107:sc= -1.45! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.201 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 89:sc= 0.344 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -100:sc= -2.69! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -26:sc= -5! USER MOD Single : A 60 ASN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 51:sc= 0.26 USER MOD Single : A 65 THR OG1 : rot -87:sc= -3.2! USER MOD Single : A 66 SER OG : rot -15:sc= 0.272! USER MOD Single : A 68 THR OG1 : rot 150:sc= -3.18! USER MOD Single : A 72 SER OG : rot 180:sc=-0.00749 USER MOD Single : A 81 THR OG1 : rot 71:sc= -0.389 USER MOD Single : A 85 THR OG1 : rot 54:sc= -0.0218 USER MOD Single : A 89 THR OG1 : rot -22:sc= 0.203 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.51) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 111 SER OG : rot 61:sc= 0.969 USER MOD Single : A 130 NCZ O5 : rot 180:sc= 0 USER MOD Single : A 130 NCZ O6 : rot -39:sc= -0.225 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.908 -9.652 10.765 1.00 0.00 N ATOM 2 CA ALA A 1 -11.492 -8.702 9.747 1.00 0.00 C ATOM 3 C ALA A 1 -10.870 -7.477 10.423 1.00 0.00 C ATOM 4 O ALA A 1 -10.942 -7.332 11.643 1.00 0.00 O ATOM 5 CB ALA A 1 -12.691 -8.336 8.869 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.381 -10.541 10.647 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.715 -9.258 11.708 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.927 -9.839 10.670 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.735 -9.142 9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.379 -7.623 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.079 -9.235 8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.471 -7.889 9.486 1.00 0.00 H new ATOM 11 N ALA A 2 -10.273 -6.627 9.600 1.00 0.00 N ATOM 12 CA ALA A 2 -9.639 -5.420 10.103 1.00 0.00 C ATOM 13 C ALA A 2 -10.419 -4.197 9.613 1.00 0.00 C ATOM 14 O ALA A 2 -11.301 -4.318 8.761 1.00 0.00 O ATOM 15 CB ALA A 2 -8.174 -5.391 9.664 1.00 0.00 C ATOM 0 H ALA A 2 -10.215 -6.750 8.589 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.653 -5.405 11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.699 -4.486 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.658 -6.265 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.120 -5.402 8.575 1.00 0.00 H new ATOM 21 N PRO A 3 -10.058 -3.018 10.185 1.00 0.00 N ATOM 22 CA PRO A 3 -10.711 -1.774 9.815 1.00 0.00 C ATOM 23 C PRO A 3 -10.241 -1.294 8.440 1.00 0.00 C ATOM 24 O PRO A 3 -9.214 -1.751 7.937 1.00 0.00 O ATOM 25 CB PRO A 3 -10.373 -0.803 10.933 1.00 0.00 C ATOM 26 CG PRO A 3 -9.167 -1.392 11.646 1.00 0.00 C ATOM 27 CD PRO A 3 -9.018 -2.838 11.195 1.00 0.00 C ATOM 0 HA PRO A 3 -11.791 -1.881 9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.147 0.187 10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.213 -0.688 11.617 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.268 -0.824 11.408 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.300 -1.341 12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.027 -3.024 10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.150 -3.529 12.028 1.00 0.00 H new ATOM 35 N THR A 4 -11.011 -0.377 7.873 1.00 0.00 N ATOM 36 CA THR A 4 -10.684 0.170 6.567 1.00 0.00 C ATOM 37 C THR A 4 -10.083 -0.912 5.670 1.00 0.00 C ATOM 38 O THR A 4 -10.418 -2.090 5.801 1.00 0.00 O ATOM 39 CB THR A 4 -9.758 1.372 6.776 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.468 0.791 6.933 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.013 2.082 8.108 1.00 0.00 C ATOM 0 H THR A 4 -11.860 0.001 8.294 1.00 0.00 H new ATOM 0 HA THR A 4 -11.578 0.516 6.048 1.00 0.00 H new ATOM 0 HB THR A 4 -9.889 2.079 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.805 1.499 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.331 2.926 8.207 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.042 2.441 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.849 1.385 8.929 1.00 0.00 H new ATOM 49 N ALA A 5 -9.202 -0.475 4.780 1.00 0.00 N ATOM 50 CA ALA A 5 -8.551 -1.394 3.860 1.00 0.00 C ATOM 51 C ALA A 5 -7.353 -2.041 4.558 1.00 0.00 C ATOM 52 O ALA A 5 -6.448 -1.346 5.020 1.00 0.00 O ATOM 53 CB ALA A 5 -8.150 -0.643 2.590 1.00 0.00 C ATOM 0 H ALA A 5 -8.924 0.501 4.677 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.232 -2.192 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.662 -1.331 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.039 -0.225 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.462 0.163 2.846 1.00 0.00 H new ATOM 59 N THR A 6 -7.385 -3.364 4.611 1.00 0.00 N ATOM 60 CA THR A 6 -6.312 -4.112 5.244 1.00 0.00 C ATOM 61 C THR A 6 -6.050 -5.414 4.484 1.00 0.00 C ATOM 62 O THR A 6 -6.981 -6.046 3.986 1.00 0.00 O ATOM 63 CB THR A 6 -6.690 -4.331 6.710 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.111 -4.439 6.692 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.421 -3.097 7.576 1.00 0.00 C ATOM 0 H THR A 6 -8.136 -3.937 4.226 1.00 0.00 H new ATOM 0 HA THR A 6 -5.373 -3.559 5.214 1.00 0.00 H new ATOM 0 HB THR A 6 -6.132 -5.180 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.506 -3.626 7.071 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.707 -3.307 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.360 -2.849 7.537 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.004 -2.256 7.202 1.00 0.00 H new ATOM 73 N VAL A 7 -4.778 -5.777 4.421 1.00 0.00 N ATOM 74 CA VAL A 7 -4.380 -6.993 3.729 1.00 0.00 C ATOM 75 C VAL A 7 -4.764 -8.205 4.576 1.00 0.00 C ATOM 76 O VAL A 7 -4.466 -8.254 5.770 1.00 0.00 O ATOM 77 CB VAL A 7 -2.886 -6.942 3.399 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.071 -7.729 4.427 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.620 -7.456 1.982 1.00 0.00 C ATOM 0 H VAL A 7 -4.009 -5.252 4.837 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.906 -7.082 2.779 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.568 -5.900 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.013 -7.677 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.225 -7.301 5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.394 -8.770 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.551 -7.409 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.961 -8.488 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.158 -6.837 1.264 1.00 0.00 H new ATOM 89 N THR A 8 -5.422 -9.157 3.930 1.00 0.00 N ATOM 90 CA THR A 8 -5.850 -10.367 4.610 1.00 0.00 C ATOM 91 C THR A 8 -4.838 -10.759 5.687 1.00 0.00 C ATOM 92 O THR A 8 -5.166 -10.779 6.872 1.00 0.00 O ATOM 93 CB THR A 8 -6.064 -11.452 3.552 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.477 -11.488 3.372 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.719 -12.850 4.072 1.00 0.00 C ATOM 0 H THR A 8 -5.669 -9.114 2.941 1.00 0.00 H new ATOM 0 HA THR A 8 -6.793 -10.214 5.135 1.00 0.00 H new ATOM 0 HB THR A 8 -5.456 -11.229 2.675 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.704 -12.164 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.888 -13.583 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.672 -12.877 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.351 -13.086 4.928 1.00 0.00 H new ATOM 103 N PRO A 9 -3.598 -11.070 5.225 1.00 0.00 N ATOM 104 CA PRO A 9 -2.537 -11.462 6.137 1.00 0.00 C ATOM 105 C PRO A 9 -1.988 -10.249 6.893 1.00 0.00 C ATOM 106 O PRO A 9 -2.645 -9.212 6.970 1.00 0.00 O ATOM 107 CB PRO A 9 -1.492 -12.134 5.260 1.00 0.00 C ATOM 108 CG PRO A 9 -1.790 -11.685 3.838 1.00 0.00 C ATOM 109 CD PRO A 9 -3.174 -11.057 3.829 1.00 0.00 C ATOM 0 HA PRO A 9 -2.883 -12.142 6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.485 -11.842 5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.548 -13.219 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.043 -10.967 3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.751 -12.533 3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.145 -10.042 3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.862 -11.624 3.201 1.00 0.00 H new ATOM 117 N SER A 10 -0.789 -10.419 7.431 1.00 0.00 N ATOM 118 CA SER A 10 -0.148 -9.351 8.179 1.00 0.00 C ATOM 119 C SER A 10 1.374 -9.485 8.078 1.00 0.00 C ATOM 120 O SER A 10 2.029 -8.682 7.416 1.00 0.00 O ATOM 121 CB SER A 10 -0.585 -9.365 9.645 1.00 0.00 C ATOM 122 OG SER A 10 -0.485 -10.664 10.220 1.00 0.00 O ATOM 0 H SER A 10 -0.245 -11.279 7.364 1.00 0.00 H new ATOM 0 HA SER A 10 -0.454 -8.398 7.747 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.031 -8.669 10.214 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.614 -9.014 9.720 1.00 0.00 H new ATOM 0 HG SER A 10 -0.771 -10.630 11.157 1.00 0.00 H new ATOM 128 N SER A 11 1.892 -10.507 8.745 1.00 0.00 N ATOM 129 CA SER A 11 3.324 -10.757 8.738 1.00 0.00 C ATOM 130 C SER A 11 3.629 -12.036 7.957 1.00 0.00 C ATOM 131 O SER A 11 2.758 -12.889 7.793 1.00 0.00 O ATOM 132 CB SER A 11 3.872 -10.861 10.163 1.00 0.00 C ATOM 133 OG SER A 11 4.959 -11.777 10.252 1.00 0.00 O ATOM 0 H SER A 11 1.346 -11.171 9.294 1.00 0.00 H new ATOM 0 HA SER A 11 3.815 -9.916 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.199 -9.877 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.075 -11.178 10.836 1.00 0.00 H new ATOM 0 HG SER A 11 5.383 -11.697 11.132 1.00 0.00 H new ATOM 139 N GLY A 12 4.868 -12.128 7.497 1.00 0.00 N ATOM 140 CA GLY A 12 5.299 -13.290 6.738 1.00 0.00 C ATOM 141 C GLY A 12 5.004 -13.112 5.248 1.00 0.00 C ATOM 142 O GLY A 12 4.838 -14.090 4.522 1.00 0.00 O ATOM 0 H GLY A 12 5.587 -11.418 7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.367 -13.448 6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.791 -14.180 7.109 1.00 0.00 H new ATOM 146 N LEU A 13 4.951 -11.853 4.835 1.00 0.00 N ATOM 147 CA LEU A 13 4.679 -11.534 3.444 1.00 0.00 C ATOM 148 C LEU A 13 6.001 -11.441 2.679 1.00 0.00 C ATOM 149 O LEU A 13 7.029 -11.086 3.253 1.00 0.00 O ATOM 150 CB LEU A 13 3.820 -10.270 3.342 1.00 0.00 C ATOM 151 CG LEU A 13 2.431 -10.353 3.974 1.00 0.00 C ATOM 152 CD1 LEU A 13 1.655 -9.049 3.767 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.661 -11.566 3.449 1.00 0.00 C ATOM 0 H LEU A 13 5.092 -11.043 5.439 1.00 0.00 H new ATOM 0 HA LEU A 13 4.095 -12.328 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.362 -9.448 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.704 -10.017 2.288 1.00 0.00 H new ATOM 0 HG LEU A 13 2.553 -10.489 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.670 -9.135 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.199 -8.225 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.542 -8.858 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.676 -11.601 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.548 -11.485 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.209 -12.477 3.690 1.00 0.00 H new ATOM 165 N SER A 14 5.930 -11.764 1.396 1.00 0.00 N ATOM 166 CA SER A 14 7.110 -11.723 0.547 1.00 0.00 C ATOM 167 C SER A 14 6.860 -10.800 -0.648 1.00 0.00 C ATOM 168 O SER A 14 5.713 -10.565 -1.027 1.00 0.00 O ATOM 169 CB SER A 14 7.493 -13.122 0.067 1.00 0.00 C ATOM 170 OG SER A 14 8.880 -13.219 -0.249 1.00 0.00 O ATOM 0 H SER A 14 5.074 -12.055 0.923 1.00 0.00 H new ATOM 0 HA SER A 14 7.941 -11.332 1.134 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.246 -13.850 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.902 -13.377 -0.813 1.00 0.00 H new ATOM 0 HG SER A 14 9.084 -14.129 -0.550 1.00 0.00 H new ATOM 176 N ASP A 15 7.952 -10.305 -1.209 1.00 0.00 N ATOM 177 CA ASP A 15 7.868 -9.415 -2.355 1.00 0.00 C ATOM 178 C ASP A 15 7.129 -10.124 -3.493 1.00 0.00 C ATOM 179 O ASP A 15 7.756 -10.623 -4.426 1.00 0.00 O ATOM 180 CB ASP A 15 9.259 -9.032 -2.860 1.00 0.00 C ATOM 181 CG ASP A 15 10.137 -10.208 -3.293 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.787 -10.789 -2.398 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.136 -10.499 -4.509 1.00 0.00 O ATOM 0 H ASP A 15 8.901 -10.503 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 15 7.338 -8.515 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.148 -8.351 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.776 -8.483 -2.073 1.00 0.00 H new ATOM 189 N GLY A 16 5.809 -10.145 -3.378 1.00 0.00 N ATOM 190 CA GLY A 16 4.982 -10.786 -4.386 1.00 0.00 C ATOM 191 C GLY A 16 3.904 -11.655 -3.736 1.00 0.00 C ATOM 192 O GLY A 16 3.527 -12.691 -4.281 1.00 0.00 O ATOM 0 H GLY A 16 5.292 -9.729 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.514 -10.028 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.605 -11.399 -5.037 1.00 0.00 H new ATOM 196 N THR A 17 3.439 -11.203 -2.581 1.00 0.00 N ATOM 197 CA THR A 17 2.412 -11.927 -1.852 1.00 0.00 C ATOM 198 C THR A 17 1.019 -11.466 -2.289 1.00 0.00 C ATOM 199 O THR A 17 0.578 -10.379 -1.920 1.00 0.00 O ATOM 200 CB THR A 17 2.673 -11.740 -0.356 1.00 0.00 C ATOM 201 OG1 THR A 17 4.050 -12.067 -0.200 1.00 0.00 O ATOM 202 CG2 THR A 17 1.942 -12.776 0.500 1.00 0.00 C ATOM 0 H THR A 17 3.755 -10.344 -2.132 1.00 0.00 H new ATOM 0 HA THR A 17 2.449 -12.994 -2.072 1.00 0.00 H new ATOM 0 HB THR A 17 2.363 -10.739 -0.056 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.598 -11.283 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.161 -12.598 1.553 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.868 -12.693 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.275 -13.776 0.224 1.00 0.00 H new ATOM 210 N VAL A 18 0.368 -12.315 -3.069 1.00 0.00 N ATOM 211 CA VAL A 18 -0.963 -12.008 -3.562 1.00 0.00 C ATOM 212 C VAL A 18 -1.971 -12.152 -2.419 1.00 0.00 C ATOM 213 O VAL A 18 -2.153 -13.243 -1.880 1.00 0.00 O ATOM 214 CB VAL A 18 -1.295 -12.894 -4.764 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.609 -12.460 -5.421 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.150 -12.891 -5.779 1.00 0.00 C ATOM 0 H VAL A 18 0.738 -13.216 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.011 -10.977 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.422 -13.914 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.821 -13.107 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.420 -12.536 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.522 -11.428 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.411 -13.528 -6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.021 -11.874 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.756 -13.269 -5.306 1.00 0.00 H new ATOM 226 N VAL A 19 -2.598 -11.035 -2.081 1.00 0.00 N ATOM 227 CA VAL A 19 -3.582 -11.022 -1.012 1.00 0.00 C ATOM 228 C VAL A 19 -4.731 -10.089 -1.392 1.00 0.00 C ATOM 229 O VAL A 19 -4.651 -9.376 -2.392 1.00 0.00 O ATOM 230 CB VAL A 19 -2.912 -10.640 0.310 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.226 -11.849 0.949 1.00 0.00 C ATOM 232 CG2 VAL A 19 -1.921 -9.490 0.111 1.00 0.00 C ATOM 0 H VAL A 19 -2.444 -10.132 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.006 -12.016 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.691 -10.298 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.758 -11.549 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.965 -12.626 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.465 -12.236 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.459 -9.238 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.149 -9.793 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.448 -8.619 -0.278 1.00 0.00 H new ATOM 242 N LYS A 20 -5.774 -10.119 -0.576 1.00 0.00 N ATOM 243 CA LYS A 20 -6.937 -9.284 -0.814 1.00 0.00 C ATOM 244 C LYS A 20 -7.083 -8.281 0.333 1.00 0.00 C ATOM 245 O LYS A 20 -7.103 -8.664 1.500 1.00 0.00 O ATOM 246 CB LYS A 20 -8.179 -10.148 -1.035 1.00 0.00 C ATOM 247 CG LYS A 20 -7.954 -11.153 -2.167 1.00 0.00 C ATOM 248 CD LYS A 20 -8.267 -12.577 -1.707 1.00 0.00 C ATOM 249 CE LYS A 20 -7.891 -13.597 -2.782 1.00 0.00 C ATOM 250 NZ LYS A 20 -7.957 -14.972 -2.240 1.00 0.00 N ATOM 0 H LYS A 20 -5.837 -10.710 0.253 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.810 -8.706 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.425 -10.679 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.031 -9.512 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.585 -10.895 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.920 -11.096 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.722 -12.794 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.329 -12.663 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.566 -13.503 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.885 -13.393 -3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.699 -15.651 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.295 -15.063 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.924 -15.170 -1.912 1.00 0.00 H new ATOM 264 N VAL A 21 -7.180 -7.013 -0.042 1.00 0.00 N ATOM 265 CA VAL A 21 -7.322 -5.951 0.938 1.00 0.00 C ATOM 266 C VAL A 21 -8.809 -5.641 1.136 1.00 0.00 C ATOM 267 O VAL A 21 -9.456 -5.099 0.243 1.00 0.00 O ATOM 268 CB VAL A 21 -6.509 -4.728 0.509 1.00 0.00 C ATOM 269 CG1 VAL A 21 -7.164 -3.435 1.000 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.063 -4.831 0.998 1.00 0.00 C ATOM 0 H VAL A 21 -7.163 -6.698 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.923 -6.267 1.902 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.492 -4.702 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.566 -2.581 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.167 -3.353 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.226 -3.449 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.507 -3.949 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.051 -4.894 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.599 -5.723 0.577 1.00 0.00 H new ATOM 280 N ALA A 22 -9.302 -6.001 2.311 1.00 0.00 N ATOM 281 CA ALA A 22 -10.701 -5.769 2.638 1.00 0.00 C ATOM 282 C ALA A 22 -10.849 -4.379 3.258 1.00 0.00 C ATOM 283 O ALA A 22 -10.169 -4.051 4.229 1.00 0.00 O ATOM 284 CB ALA A 22 -11.199 -6.879 3.565 1.00 0.00 C ATOM 0 H ALA A 22 -8.760 -6.451 3.049 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.317 -5.796 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.247 -6.706 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.098 -7.843 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.608 -6.881 4.481 1.00 0.00 H new ATOM 290 N GLY A 23 -11.746 -3.597 2.673 1.00 0.00 N ATOM 291 CA GLY A 23 -11.994 -2.250 3.157 1.00 0.00 C ATOM 292 C GLY A 23 -13.312 -2.179 3.930 1.00 0.00 C ATOM 293 O GLY A 23 -14.355 -2.599 3.428 1.00 0.00 O ATOM 0 H GLY A 23 -12.309 -3.871 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.173 -1.934 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.024 -1.557 2.316 1.00 0.00 H new ATOM 297 N ALA A 24 -13.224 -1.644 5.139 1.00 0.00 N ATOM 298 CA ALA A 24 -14.396 -1.514 5.985 1.00 0.00 C ATOM 299 C ALA A 24 -14.597 -0.039 6.350 1.00 0.00 C ATOM 300 O ALA A 24 -13.896 0.490 7.214 1.00 0.00 O ATOM 301 CB ALA A 24 -14.236 -2.401 7.222 1.00 0.00 C ATOM 0 H ALA A 24 -12.359 -1.296 5.552 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.288 -1.849 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.117 -2.303 7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.126 -3.440 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.351 -2.093 7.779 1.00 0.00 H new ATOM 307 N GLY A 25 -15.552 0.579 5.674 1.00 0.00 N ATOM 308 CA GLY A 25 -15.851 1.981 5.915 1.00 0.00 C ATOM 309 C GLY A 25 -14.806 2.885 5.258 1.00 0.00 C ATOM 310 O GLY A 25 -14.545 3.987 5.739 1.00 0.00 O ATOM 0 H GLY A 25 -16.129 0.136 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.840 2.218 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.879 2.171 6.988 1.00 0.00 H new ATOM 314 N LEU A 26 -14.240 2.387 4.170 1.00 0.00 N ATOM 315 CA LEU A 26 -13.231 3.137 3.442 1.00 0.00 C ATOM 316 C LEU A 26 -13.912 4.216 2.599 1.00 0.00 C ATOM 317 O LEU A 26 -14.906 4.804 3.022 1.00 0.00 O ATOM 318 CB LEU A 26 -12.344 2.192 2.629 1.00 0.00 C ATOM 319 CG LEU A 26 -10.850 2.519 2.617 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.106 1.653 1.597 1.00 0.00 C ATOM 321 CD2 LEU A 26 -10.617 4.013 2.377 1.00 0.00 C ATOM 0 H LEU A 26 -14.461 1.473 3.774 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.563 3.648 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.471 1.182 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.702 2.185 1.600 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.442 2.282 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.046 1.906 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.231 0.601 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.511 1.835 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.547 4.218 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.045 4.298 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.094 4.588 3.171 1.00 0.00 H new ATOM 333 N GLN A 27 -13.352 4.443 1.421 1.00 0.00 N ATOM 334 CA GLN A 27 -13.892 5.443 0.513 1.00 0.00 C ATOM 335 C GLN A 27 -15.422 5.438 0.571 1.00 0.00 C ATOM 336 O GLN A 27 -16.057 6.471 0.364 1.00 0.00 O ATOM 337 CB GLN A 27 -13.396 5.212 -0.915 1.00 0.00 C ATOM 338 CG GLN A 27 -11.945 5.670 -1.072 1.00 0.00 C ATOM 339 CD GLN A 27 -11.875 7.153 -1.441 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.713 7.526 -2.590 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.005 7.975 -0.403 1.00 0.00 N ATOM 0 H GLN A 27 -12.529 3.952 1.073 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.538 6.424 0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.476 4.154 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.030 5.754 -1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.403 5.497 -0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.454 5.076 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.138 7.596 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.971 8.985 -0.545 1.00 0.00 H new ATOM 350 N ALA A 28 -15.967 4.264 0.852 1.00 0.00 N ATOM 351 CA ALA A 28 -17.410 4.111 0.941 1.00 0.00 C ATOM 352 C ALA A 28 -18.083 5.139 0.027 1.00 0.00 C ATOM 353 O ALA A 28 -18.426 6.236 0.465 1.00 0.00 O ATOM 354 CB ALA A 28 -17.851 4.252 2.399 1.00 0.00 C ATOM 0 H ALA A 28 -15.436 3.410 1.021 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.712 3.119 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.933 4.137 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.367 3.483 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.567 5.236 2.771 1.00 0.00 H new ATOM 360 N GLY A 29 -18.251 4.748 -1.228 1.00 0.00 N ATOM 361 CA GLY A 29 -18.877 5.620 -2.207 1.00 0.00 C ATOM 362 C GLY A 29 -17.846 6.165 -3.194 1.00 0.00 C ATOM 363 O GLY A 29 -18.121 6.279 -4.389 1.00 0.00 O ATOM 0 H GLY A 29 -17.964 3.838 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.648 5.071 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.372 6.448 -1.698 1.00 0.00 H new ATOM 367 N THR A 30 -16.674 6.488 -2.662 1.00 0.00 N ATOM 368 CA THR A 30 -15.600 7.019 -3.483 1.00 0.00 C ATOM 369 C THR A 30 -14.718 5.883 -4.005 1.00 0.00 C ATOM 370 O THR A 30 -15.136 4.727 -4.023 1.00 0.00 O ATOM 371 CB THR A 30 -14.835 8.049 -2.649 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.814 8.573 -1.758 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.397 9.261 -3.475 1.00 0.00 C ATOM 0 H THR A 30 -16.446 6.392 -1.672 1.00 0.00 H new ATOM 0 HA THR A 30 -15.988 7.520 -4.370 1.00 0.00 H new ATOM 0 HB THR A 30 -13.960 7.576 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.845 8.024 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.859 9.961 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.745 8.933 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.275 9.753 -3.893 1.00 0.00 H new ATOM 381 N ALA A 31 -13.513 6.252 -4.414 1.00 0.00 N ATOM 382 CA ALA A 31 -12.568 5.279 -4.935 1.00 0.00 C ATOM 383 C ALA A 31 -11.149 5.840 -4.815 1.00 0.00 C ATOM 384 O ALA A 31 -10.950 7.052 -4.869 1.00 0.00 O ATOM 385 CB ALA A 31 -12.938 4.930 -6.377 1.00 0.00 C ATOM 0 H ALA A 31 -13.169 7.212 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.608 4.356 -4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.229 4.200 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.943 4.510 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.906 5.831 -6.989 1.00 0.00 H new ATOM 391 N TYR A 32 -10.199 4.930 -4.656 1.00 0.00 N ATOM 392 CA TYR A 32 -8.805 5.317 -4.530 1.00 0.00 C ATOM 393 C TYR A 32 -7.888 4.293 -5.202 1.00 0.00 C ATOM 394 O TYR A 32 -8.335 3.216 -5.594 1.00 0.00 O ATOM 395 CB TYR A 32 -8.507 5.340 -3.029 1.00 0.00 C ATOM 396 CG TYR A 32 -8.917 6.639 -2.335 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.174 7.770 -3.082 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.029 6.682 -0.959 1.00 0.00 C ATOM 399 CE1 TYR A 32 -9.561 8.995 -2.428 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.417 7.905 -0.305 1.00 0.00 C ATOM 401 CZ TYR A 32 -9.663 9.001 -1.073 1.00 0.00 C ATOM 402 OH TYR A 32 -10.026 10.157 -0.454 1.00 0.00 O ATOM 0 H TYR A 32 -10.368 3.925 -4.612 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.631 6.282 -5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.024 4.507 -2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.439 5.180 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.085 7.738 -4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.825 5.798 -0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.765 9.887 -3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.511 7.951 0.770 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.403 10.345 0.279 1.00 0.00 H new ATOM 412 N ASP A 33 -6.622 4.664 -5.315 1.00 0.00 N ATOM 413 CA ASP A 33 -5.638 3.791 -5.935 1.00 0.00 C ATOM 414 C ASP A 33 -5.000 2.907 -4.860 1.00 0.00 C ATOM 415 O ASP A 33 -4.370 3.409 -3.931 1.00 0.00 O ATOM 416 CB ASP A 33 -4.525 4.602 -6.602 1.00 0.00 C ATOM 417 CG ASP A 33 -4.453 4.472 -8.124 1.00 0.00 C ATOM 418 OD1 ASP A 33 -5.521 4.620 -8.757 1.00 0.00 O ATOM 419 OD2 ASP A 33 -3.334 4.226 -8.620 1.00 0.00 O ATOM 0 H ASP A 33 -6.254 5.557 -4.988 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.147 3.189 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.660 5.653 -6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.568 4.293 -6.180 1.00 0.00 H new ATOM 425 N VAL A 34 -5.185 1.606 -5.025 1.00 0.00 N ATOM 426 CA VAL A 34 -4.637 0.647 -4.082 1.00 0.00 C ATOM 427 C VAL A 34 -3.135 0.496 -4.330 1.00 0.00 C ATOM 428 O VAL A 34 -2.689 0.493 -5.476 1.00 0.00 O ATOM 429 CB VAL A 34 -5.395 -0.679 -4.182 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.693 -1.773 -3.376 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.850 -0.515 -3.734 1.00 0.00 C ATOM 0 H VAL A 34 -5.707 1.193 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.764 1.002 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.400 -0.984 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.252 -2.705 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.684 -1.918 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.643 -1.477 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.366 -1.472 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.876 -0.175 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.346 0.219 -4.369 1.00 0.00 H new ATOM 441 N GLY A 35 -2.395 0.376 -3.237 1.00 0.00 N ATOM 442 CA GLY A 35 -0.952 0.227 -3.323 1.00 0.00 C ATOM 443 C GLY A 35 -0.308 0.343 -1.938 1.00 0.00 C ATOM 444 O GLY A 35 -0.884 0.934 -1.029 1.00 0.00 O ATOM 0 H GLY A 35 -2.768 0.379 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.708 -0.740 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.542 0.990 -3.984 1.00 0.00 H new ATOM 448 N GLN A 36 0.880 -0.234 -1.826 1.00 0.00 N ATOM 449 CA GLN A 36 1.610 -0.204 -0.569 1.00 0.00 C ATOM 450 C GLN A 36 2.556 0.999 -0.535 1.00 0.00 C ATOM 451 O GLN A 36 3.619 0.976 -1.154 1.00 0.00 O ATOM 452 CB GLN A 36 2.375 -1.509 -0.348 1.00 0.00 C ATOM 453 CG GLN A 36 3.587 -1.599 -1.276 1.00 0.00 C ATOM 454 CD GLN A 36 3.668 -2.975 -1.941 1.00 0.00 C ATOM 455 OE1 GLN A 36 4.125 -2.946 -3.191 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 3.336 -3.993 -1.360 1.00 0.00 N flip ATOM 0 H GLN A 36 1.355 -0.724 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 36 0.892 -0.101 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.702 -1.571 0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.713 -2.357 -0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.522 -0.825 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.499 -1.411 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.994 -3.944 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.400 -4.894 -1.833 1.00 0.00 H new ATOM 465 N CYS A 37 2.134 2.022 0.196 1.00 0.00 N ATOM 466 CA CYS A 37 2.931 3.231 0.319 1.00 0.00 C ATOM 467 C CYS A 37 3.551 3.258 1.717 1.00 0.00 C ATOM 468 O CYS A 37 2.967 2.739 2.667 1.00 0.00 O ATOM 469 CB CYS A 37 2.101 4.486 0.038 1.00 0.00 C ATOM 470 SG CYS A 37 3.063 5.927 -0.551 1.00 0.00 S ATOM 0 H CYS A 37 1.252 2.038 0.708 1.00 0.00 H new ATOM 0 HA CYS A 37 3.724 3.224 -0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.343 4.244 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.574 4.767 0.949 1.00 0.00 H new ATOM 475 N ALA A 38 4.725 3.866 1.797 1.00 0.00 N ATOM 476 CA ALA A 38 5.429 3.967 3.064 1.00 0.00 C ATOM 477 C ALA A 38 6.691 4.813 2.875 1.00 0.00 C ATOM 478 O ALA A 38 7.101 5.079 1.746 1.00 0.00 O ATOM 479 CB ALA A 38 5.742 2.564 3.589 1.00 0.00 C ATOM 0 H ALA A 38 5.206 4.293 1.006 1.00 0.00 H new ATOM 0 HA ALA A 38 4.807 4.463 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.270 2.641 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.812 2.014 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.367 2.037 2.868 1.00 0.00 H new ATOM 485 N TRP A 39 7.272 5.214 3.998 1.00 0.00 N ATOM 486 CA TRP A 39 8.476 6.022 3.969 1.00 0.00 C ATOM 487 C TRP A 39 9.621 5.150 3.453 1.00 0.00 C ATOM 488 O TRP A 39 10.111 4.276 4.166 1.00 0.00 O ATOM 489 CB TRP A 39 8.762 6.631 5.346 1.00 0.00 C ATOM 490 CG TRP A 39 8.706 5.620 6.493 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.632 5.214 7.185 1.00 0.00 C ATOM 492 CD2 TRP A 39 9.821 4.902 7.060 1.00 0.00 C ATOM 493 NE1 TRP A 39 7.972 4.290 8.151 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.347 4.094 8.073 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.188 4.934 6.728 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.169 3.257 8.836 1.00 0.00 C ATOM 497 CZ3 TRP A 39 11.997 4.091 7.501 1.00 0.00 C ATOM 498 CH2 TRP A 39 11.534 3.273 8.524 1.00 0.00 C ATOM 0 H TRP A 39 6.929 4.993 4.933 1.00 0.00 H new ATOM 0 HA TRP A 39 8.354 6.870 3.295 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.749 7.094 5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.040 7.425 5.539 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.626 5.566 7.008 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.333 3.834 8.802 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.582 5.559 5.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.772 2.633 9.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.055 4.076 7.286 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.224 2.652 9.076 1.00 0.00 H new ATOM 509 N VAL A 40 10.015 5.416 2.214 1.00 0.00 N ATOM 510 CA VAL A 40 11.092 4.664 1.595 1.00 0.00 C ATOM 511 C VAL A 40 12.425 5.356 1.887 1.00 0.00 C ATOM 512 O VAL A 40 13.397 4.705 2.265 1.00 0.00 O ATOM 513 CB VAL A 40 10.820 4.499 0.098 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.555 5.567 -0.715 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.196 3.093 -0.377 1.00 0.00 C ATOM 0 H VAL A 40 9.607 6.141 1.624 1.00 0.00 H new ATOM 0 HA VAL A 40 11.148 3.660 2.015 1.00 0.00 H new ATOM 0 HB VAL A 40 9.750 4.632 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.344 5.426 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.217 6.556 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.628 5.480 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.993 3.003 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.256 2.918 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.607 2.355 0.168 1.00 0.00 H new ATOM 525 N ASP A 41 12.426 6.668 1.700 1.00 0.00 N ATOM 526 CA ASP A 41 13.625 7.455 1.939 1.00 0.00 C ATOM 527 C ASP A 41 13.631 7.938 3.391 1.00 0.00 C ATOM 528 O ASP A 41 12.892 7.418 4.226 1.00 0.00 O ATOM 529 CB ASP A 41 13.664 8.687 1.032 1.00 0.00 C ATOM 530 CG ASP A 41 14.958 8.860 0.233 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.996 8.365 0.724 1.00 0.00 O ATOM 532 OD2 ASP A 41 14.879 9.484 -0.846 1.00 0.00 O ATOM 0 H ASP A 41 11.618 7.205 1.386 1.00 0.00 H new ATOM 0 HA ASP A 41 14.490 6.825 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.828 8.633 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.511 9.576 1.644 1.00 0.00 H new ATOM 538 N THR A 42 14.473 8.927 3.649 1.00 0.00 N ATOM 539 CA THR A 42 14.586 9.486 4.987 1.00 0.00 C ATOM 540 C THR A 42 13.269 10.142 5.401 1.00 0.00 C ATOM 541 O THR A 42 13.120 11.361 5.307 1.00 0.00 O ATOM 542 CB THR A 42 15.777 10.448 4.997 1.00 0.00 C ATOM 543 OG1 THR A 42 16.915 9.591 5.008 1.00 0.00 O ATOM 544 CG2 THR A 42 15.884 11.229 6.310 1.00 0.00 C ATOM 0 H THR A 42 15.084 9.357 2.955 1.00 0.00 H new ATOM 0 HA THR A 42 14.772 8.709 5.729 1.00 0.00 H new ATOM 0 HB THR A 42 15.689 11.146 4.165 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.732 10.132 5.013 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.744 11.897 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.977 11.814 6.460 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.007 10.532 7.139 1.00 0.00 H new ATOM 552 N GLY A 43 12.345 9.308 5.854 1.00 0.00 N ATOM 553 CA GLY A 43 11.045 9.792 6.285 1.00 0.00 C ATOM 554 C GLY A 43 10.239 10.328 5.099 1.00 0.00 C ATOM 555 O GLY A 43 9.271 11.065 5.284 1.00 0.00 O ATOM 0 H GLY A 43 12.471 8.299 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.494 8.985 6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.174 10.580 7.027 1.00 0.00 H new ATOM 559 N VAL A 44 10.667 9.938 3.908 1.00 0.00 N ATOM 560 CA VAL A 44 9.998 10.369 2.693 1.00 0.00 C ATOM 561 C VAL A 44 8.961 9.320 2.287 1.00 0.00 C ATOM 562 O VAL A 44 9.316 8.214 1.884 1.00 0.00 O ATOM 563 CB VAL A 44 11.031 10.644 1.597 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.351 11.117 0.309 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.075 11.658 2.070 1.00 0.00 C ATOM 0 H VAL A 44 11.470 9.327 3.758 1.00 0.00 H new ATOM 0 HA VAL A 44 9.465 11.305 2.862 1.00 0.00 H new ATOM 0 HB VAL A 44 11.547 9.709 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.107 11.305 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.664 10.348 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.797 12.035 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.797 11.836 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.581 12.595 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.591 11.267 2.947 1.00 0.00 H new ATOM 575 N LEU A 45 7.700 9.706 2.410 1.00 0.00 N ATOM 576 CA LEU A 45 6.607 8.812 2.061 1.00 0.00 C ATOM 577 C LEU A 45 6.683 8.478 0.569 1.00 0.00 C ATOM 578 O LEU A 45 6.279 9.280 -0.270 1.00 0.00 O ATOM 579 CB LEU A 45 5.265 9.411 2.489 1.00 0.00 C ATOM 580 CG LEU A 45 4.598 8.762 3.702 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.410 9.596 4.186 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.197 7.317 3.399 1.00 0.00 C ATOM 0 H LEU A 45 7.410 10.624 2.746 1.00 0.00 H new ATOM 0 HA LEU A 45 6.697 7.871 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.414 10.469 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.577 9.351 1.646 1.00 0.00 H new ATOM 0 HG LEU A 45 5.323 8.732 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.954 9.112 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.755 10.591 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.674 9.680 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.725 6.878 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.496 7.301 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.084 6.740 3.138 1.00 0.00 H new ATOM 594 N ALA A 46 7.204 7.293 0.286 1.00 0.00 N ATOM 595 CA ALA A 46 7.338 6.845 -1.088 1.00 0.00 C ATOM 596 C ALA A 46 6.427 5.637 -1.318 1.00 0.00 C ATOM 597 O ALA A 46 6.289 4.783 -0.442 1.00 0.00 O ATOM 598 CB ALA A 46 8.806 6.529 -1.381 1.00 0.00 C ATOM 0 H ALA A 46 7.538 6.630 0.986 1.00 0.00 H new ATOM 0 HA ALA A 46 7.028 7.629 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.907 6.193 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.408 7.425 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.150 5.744 -0.708 1.00 0.00 H new ATOM 604 N CYS A 47 5.824 5.606 -2.498 1.00 0.00 N ATOM 605 CA CYS A 47 4.929 4.516 -2.853 1.00 0.00 C ATOM 606 C CYS A 47 5.684 3.553 -3.771 1.00 0.00 C ATOM 607 O CYS A 47 6.639 3.947 -4.439 1.00 0.00 O ATOM 608 CB CYS A 47 3.642 5.033 -3.501 1.00 0.00 C ATOM 609 SG CYS A 47 2.772 6.333 -2.551 1.00 0.00 S ATOM 0 H CYS A 47 5.937 6.317 -3.220 1.00 0.00 H new ATOM 0 HA CYS A 47 4.619 3.987 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.882 5.424 -4.490 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.963 4.193 -3.647 1.00 0.00 H new ATOM 614 N ASN A 48 5.229 2.308 -3.773 1.00 0.00 N ATOM 615 CA ASN A 48 5.849 1.286 -4.597 1.00 0.00 C ATOM 616 C ASN A 48 5.335 1.413 -6.033 1.00 0.00 C ATOM 617 O ASN A 48 4.338 2.089 -6.281 1.00 0.00 O ATOM 618 CB ASN A 48 5.499 -0.114 -4.093 1.00 0.00 C ATOM 619 CG ASN A 48 6.391 -0.513 -2.915 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.790 0.514 -2.168 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 6.697 -1.674 -2.698 1.00 0.00 N flip ATOM 0 H ASN A 48 4.438 1.985 -3.216 1.00 0.00 H new ATOM 0 HA ASN A 48 6.929 1.426 -4.552 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.453 -0.143 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.615 -0.835 -4.902 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.356 -2.414 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.294 -1.904 -1.903 1.00 0.00 H new ATOM 628 N PRO A 49 6.060 0.737 -6.964 1.00 0.00 N ATOM 629 CA PRO A 49 5.688 0.769 -8.368 1.00 0.00 C ATOM 630 C PRO A 49 4.464 -0.110 -8.630 1.00 0.00 C ATOM 631 O PRO A 49 3.821 0.009 -9.673 1.00 0.00 O ATOM 632 CB PRO A 49 6.928 0.301 -9.113 1.00 0.00 C ATOM 633 CG PRO A 49 7.787 -0.416 -8.085 1.00 0.00 C ATOM 634 CD PRO A 49 7.248 -0.071 -6.706 1.00 0.00 C ATOM 0 HA PRO A 49 5.390 1.762 -8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.662 -0.366 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.463 1.145 -9.549 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.758 -1.493 -8.248 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.829 -0.108 -8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.001 -0.970 -6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.983 0.481 -6.120 1.00 0.00 H new ATOM 642 N ALA A 50 4.178 -0.975 -7.668 1.00 0.00 N ATOM 643 CA ALA A 50 3.043 -1.873 -7.782 1.00 0.00 C ATOM 644 C ALA A 50 1.919 -1.388 -6.864 1.00 0.00 C ATOM 645 O ALA A 50 0.966 -2.120 -6.603 1.00 0.00 O ATOM 646 CB ALA A 50 3.487 -3.301 -7.457 1.00 0.00 C ATOM 0 H ALA A 50 4.714 -1.073 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 50 2.657 -1.876 -8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.635 -3.975 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.265 -3.608 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.878 -3.338 -6.440 1.00 0.00 H new ATOM 652 N ASP A 51 2.069 -0.157 -6.398 1.00 0.00 N ATOM 653 CA ASP A 51 1.079 0.434 -5.515 1.00 0.00 C ATOM 654 C ASP A 51 0.004 1.130 -6.354 1.00 0.00 C ATOM 655 O ASP A 51 -0.802 1.894 -5.825 1.00 0.00 O ATOM 656 CB ASP A 51 1.713 1.482 -4.599 1.00 0.00 C ATOM 657 CG ASP A 51 0.958 2.809 -4.512 1.00 0.00 C ATOM 658 OD1 ASP A 51 1.035 3.573 -5.497 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.317 3.030 -3.461 1.00 0.00 O ATOM 0 H ASP A 51 2.861 0.447 -6.616 1.00 0.00 H new ATOM 0 HA ASP A 51 0.650 -0.364 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.796 1.063 -3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.727 1.681 -4.947 1.00 0.00 H new ATOM 665 N PHE A 52 0.026 0.840 -7.645 1.00 0.00 N ATOM 666 CA PHE A 52 -0.937 1.426 -8.562 1.00 0.00 C ATOM 667 C PHE A 52 -1.996 0.403 -8.976 1.00 0.00 C ATOM 668 O PHE A 52 -1.813 -0.327 -9.949 1.00 0.00 O ATOM 669 CB PHE A 52 -0.158 1.867 -9.805 1.00 0.00 C ATOM 670 CG PHE A 52 1.200 2.498 -9.497 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.302 3.468 -8.548 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.308 2.090 -10.173 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.563 4.052 -8.262 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.569 2.675 -9.888 1.00 0.00 C ATOM 675 CZ PHE A 52 3.670 3.645 -8.939 1.00 0.00 C ATOM 0 H PHE A 52 0.696 0.206 -8.079 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.447 2.261 -8.082 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.007 1.003 -10.452 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.761 2.582 -10.364 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.423 3.793 -8.012 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.228 1.321 -10.927 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.644 4.820 -7.507 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.448 2.350 -10.424 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.629 4.092 -8.723 1.00 0.00 H new ATOM 685 N SER A 53 -3.079 0.381 -8.213 1.00 0.00 N ATOM 686 CA SER A 53 -4.169 -0.541 -8.488 1.00 0.00 C ATOM 687 C SER A 53 -5.510 0.122 -8.165 1.00 0.00 C ATOM 688 O SER A 53 -6.075 -0.104 -7.097 1.00 0.00 O ATOM 689 CB SER A 53 -4.009 -1.835 -7.687 1.00 0.00 C ATOM 690 OG SER A 53 -5.041 -2.774 -7.978 1.00 0.00 O ATOM 0 H SER A 53 -3.225 0.986 -7.405 1.00 0.00 H new ATOM 0 HA SER A 53 -4.144 -0.795 -9.548 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.040 -2.281 -7.909 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.018 -1.605 -6.622 1.00 0.00 H new ATOM 0 HG SER A 53 -5.720 -2.743 -7.272 1.00 0.00 H new ATOM 696 N SER A 54 -5.978 0.925 -9.110 1.00 0.00 N ATOM 697 CA SER A 54 -7.241 1.622 -8.939 1.00 0.00 C ATOM 698 C SER A 54 -8.267 0.693 -8.286 1.00 0.00 C ATOM 699 O SER A 54 -8.305 -0.500 -8.581 1.00 0.00 O ATOM 700 CB SER A 54 -7.770 2.139 -10.278 1.00 0.00 C ATOM 701 OG SER A 54 -8.942 2.934 -10.119 1.00 0.00 O ATOM 0 H SER A 54 -5.506 1.108 -9.995 1.00 0.00 H new ATOM 0 HA SER A 54 -7.073 2.481 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.996 2.728 -10.770 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.991 1.294 -10.931 1.00 0.00 H new ATOM 0 HG SER A 54 -9.247 3.246 -10.996 1.00 0.00 H new ATOM 707 N VAL A 55 -9.074 1.276 -7.412 1.00 0.00 N ATOM 708 CA VAL A 55 -10.097 0.515 -6.714 1.00 0.00 C ATOM 709 C VAL A 55 -11.169 1.474 -6.187 1.00 0.00 C ATOM 710 O VAL A 55 -10.929 2.675 -6.074 1.00 0.00 O ATOM 711 CB VAL A 55 -9.459 -0.333 -5.611 1.00 0.00 C ATOM 712 CG1 VAL A 55 -10.349 -0.373 -4.368 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.154 -1.742 -6.114 1.00 0.00 C ATOM 0 H VAL A 55 -9.040 2.267 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.588 -0.180 -7.396 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.515 0.134 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.873 -0.982 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.493 0.640 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.316 -0.805 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.701 -2.325 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.079 -2.222 -6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.464 -1.686 -6.956 1.00 0.00 H new ATOM 723 N THR A 56 -12.325 0.906 -5.881 1.00 0.00 N ATOM 724 CA THR A 56 -13.434 1.695 -5.370 1.00 0.00 C ATOM 725 C THR A 56 -14.069 1.001 -4.162 1.00 0.00 C ATOM 726 O THR A 56 -14.031 -0.223 -4.053 1.00 0.00 O ATOM 727 CB THR A 56 -14.415 1.932 -6.518 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.956 3.223 -6.252 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.627 1.001 -6.455 1.00 0.00 C ATOM 0 H THR A 56 -12.519 -0.091 -5.977 1.00 0.00 H new ATOM 0 HA THR A 56 -13.095 2.666 -5.008 1.00 0.00 H new ATOM 0 HB THR A 56 -13.900 1.794 -7.469 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.908 3.406 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.291 1.212 -7.293 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.293 -0.035 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.161 1.162 -5.519 1.00 0.00 H new ATOM 737 N ALA A 57 -14.638 1.816 -3.285 1.00 0.00 N ATOM 738 CA ALA A 57 -15.281 1.295 -2.090 1.00 0.00 C ATOM 739 C ALA A 57 -16.799 1.373 -2.258 1.00 0.00 C ATOM 740 O ALA A 57 -17.324 2.375 -2.739 1.00 0.00 O ATOM 741 CB ALA A 57 -14.788 2.073 -0.867 1.00 0.00 C ATOM 0 H ALA A 57 -14.667 2.831 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.020 0.248 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.269 1.684 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.707 1.962 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.036 3.128 -0.983 1.00 0.00 H new ATOM 747 N ASP A 58 -17.462 0.299 -1.853 1.00 0.00 N ATOM 748 CA ASP A 58 -18.910 0.231 -1.952 1.00 0.00 C ATOM 749 C ASP A 58 -19.533 1.157 -0.904 1.00 0.00 C ATOM 750 O ASP A 58 -18.931 1.415 0.136 1.00 0.00 O ATOM 751 CB ASP A 58 -19.415 -1.188 -1.689 1.00 0.00 C ATOM 752 CG ASP A 58 -18.424 -2.301 -2.031 1.00 0.00 C ATOM 753 OD1 ASP A 58 -18.633 -3.424 -1.524 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.477 -2.003 -2.792 1.00 0.00 O ATOM 0 H ASP A 58 -17.022 -0.531 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.193 0.533 -2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.684 -1.272 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.327 -1.345 -2.264 1.00 0.00 H new ATOM 760 N ALA A 59 -20.730 1.631 -1.216 1.00 0.00 N ATOM 761 CA ALA A 59 -21.440 2.523 -0.315 1.00 0.00 C ATOM 762 C ALA A 59 -21.206 2.072 1.127 1.00 0.00 C ATOM 763 O ALA A 59 -21.168 2.897 2.041 1.00 0.00 O ATOM 764 CB ALA A 59 -22.924 2.546 -0.685 1.00 0.00 C ATOM 0 H ALA A 59 -21.226 1.414 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.065 3.542 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.457 3.215 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.038 2.899 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.336 1.540 -0.600 1.00 0.00 H new ATOM 770 N ASN A 60 -21.055 0.767 1.291 1.00 0.00 N ATOM 771 CA ASN A 60 -20.827 0.197 2.608 1.00 0.00 C ATOM 772 C ASN A 60 -19.325 0.184 2.898 1.00 0.00 C ATOM 773 O ASN A 60 -18.813 -0.759 3.501 1.00 0.00 O ATOM 774 CB ASN A 60 -21.334 -1.244 2.681 1.00 0.00 C ATOM 775 CG ASN A 60 -21.692 -1.629 4.117 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.740 -0.803 5.015 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.937 -2.926 4.285 1.00 0.00 N ATOM 0 H ASN A 60 -21.086 0.086 0.532 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.364 0.805 3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.209 -1.358 2.042 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.570 -1.921 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.183 -3.283 5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.879 -3.563 3.490 1.00 0.00 H new ATOM 784 N GLY A 61 -18.660 1.243 2.459 1.00 0.00 N ATOM 785 CA GLY A 61 -17.228 1.365 2.666 1.00 0.00 C ATOM 786 C GLY A 61 -16.529 0.018 2.475 1.00 0.00 C ATOM 787 O GLY A 61 -15.536 -0.271 3.142 1.00 0.00 O ATOM 0 H GLY A 61 -19.087 2.024 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.817 2.094 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.033 1.741 3.670 1.00 0.00 H new ATOM 791 N SER A 62 -17.074 -0.772 1.561 1.00 0.00 N ATOM 792 CA SER A 62 -16.515 -2.081 1.273 1.00 0.00 C ATOM 793 C SER A 62 -15.478 -1.973 0.152 1.00 0.00 C ATOM 794 O SER A 62 -15.834 -1.919 -1.022 1.00 0.00 O ATOM 795 CB SER A 62 -17.613 -3.075 0.887 1.00 0.00 C ATOM 796 OG SER A 62 -18.034 -3.862 1.999 1.00 0.00 O ATOM 0 H SER A 62 -17.898 -0.530 1.010 1.00 0.00 H new ATOM 0 HA SER A 62 -16.027 -2.451 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.467 -2.533 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.248 -3.730 0.096 1.00 0.00 H new ATOM 0 HG SER A 62 -18.736 -4.483 1.713 1.00 0.00 H new ATOM 802 N ALA A 63 -14.217 -1.947 0.558 1.00 0.00 N ATOM 803 CA ALA A 63 -13.127 -1.847 -0.396 1.00 0.00 C ATOM 804 C ALA A 63 -12.444 -3.211 -0.531 1.00 0.00 C ATOM 805 O ALA A 63 -11.385 -3.439 0.049 1.00 0.00 O ATOM 806 CB ALA A 63 -12.156 -0.753 0.048 1.00 0.00 C ATOM 0 H ALA A 63 -13.926 -1.993 1.535 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.505 -1.568 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.338 -0.679 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.681 0.201 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.755 -0.999 1.031 1.00 0.00 H new ATOM 812 N SER A 64 -13.082 -4.084 -1.298 1.00 0.00 N ATOM 813 CA SER A 64 -12.552 -5.418 -1.516 1.00 0.00 C ATOM 814 C SER A 64 -11.617 -5.419 -2.728 1.00 0.00 C ATOM 815 O SER A 64 -12.034 -5.747 -3.839 1.00 0.00 O ATOM 816 CB SER A 64 -13.679 -6.433 -1.715 1.00 0.00 C ATOM 817 OG SER A 64 -14.612 -6.009 -2.704 1.00 0.00 O ATOM 0 H SER A 64 -13.962 -3.892 -1.776 1.00 0.00 H new ATOM 0 HA SER A 64 -11.988 -5.710 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.254 -7.394 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.199 -6.588 -0.769 1.00 0.00 H new ATOM 0 HG SER A 64 -14.131 -5.752 -3.518 1.00 0.00 H new ATOM 823 N THR A 65 -10.371 -5.048 -2.474 1.00 0.00 N ATOM 824 CA THR A 65 -9.373 -5.000 -3.530 1.00 0.00 C ATOM 825 C THR A 65 -8.404 -6.178 -3.400 1.00 0.00 C ATOM 826 O THR A 65 -8.285 -6.772 -2.331 1.00 0.00 O ATOM 827 CB THR A 65 -8.684 -3.637 -3.469 1.00 0.00 C ATOM 828 OG1 THR A 65 -7.692 -3.703 -4.490 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.882 -3.442 -2.181 1.00 0.00 C ATOM 0 H THR A 65 -10.029 -4.778 -1.552 1.00 0.00 H new ATOM 0 HA THR A 65 -9.832 -5.103 -4.513 1.00 0.00 H new ATOM 0 HB THR A 65 -9.432 -2.849 -3.552 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.872 -4.095 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.413 -2.458 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.549 -3.519 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.112 -4.210 -2.112 1.00 0.00 H new ATOM 837 N SER A 66 -7.738 -6.477 -4.504 1.00 0.00 N ATOM 838 CA SER A 66 -6.783 -7.571 -4.528 1.00 0.00 C ATOM 839 C SER A 66 -5.493 -7.127 -5.221 1.00 0.00 C ATOM 840 O SER A 66 -5.530 -6.616 -6.340 1.00 0.00 O ATOM 841 CB SER A 66 -7.368 -8.799 -5.231 1.00 0.00 C ATOM 842 OG SER A 66 -7.112 -8.784 -6.632 1.00 0.00 O ATOM 0 H SER A 66 -7.841 -5.981 -5.389 1.00 0.00 H new ATOM 0 HA SER A 66 -6.557 -7.849 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.944 -9.703 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.444 -8.837 -5.059 1.00 0.00 H new ATOM 0 HG SER A 66 -6.828 -7.886 -6.903 1.00 0.00 H new ATOM 848 N LEU A 67 -4.383 -7.338 -4.530 1.00 0.00 N ATOM 849 CA LEU A 67 -3.085 -6.965 -5.065 1.00 0.00 C ATOM 850 C LEU A 67 -2.004 -7.832 -4.416 1.00 0.00 C ATOM 851 O LEU A 67 -2.283 -8.592 -3.493 1.00 0.00 O ATOM 852 CB LEU A 67 -2.849 -5.462 -4.901 1.00 0.00 C ATOM 853 CG LEU A 67 -2.509 -4.693 -6.179 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.115 -5.061 -6.686 1.00 0.00 C ATOM 855 CD2 LEU A 67 -3.584 -4.907 -7.249 1.00 0.00 C ATOM 0 H LEU A 67 -4.356 -7.763 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.046 -7.154 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.743 -5.020 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.038 -5.317 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.495 -3.629 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.899 -4.500 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.375 -4.817 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.076 -6.129 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.319 -4.350 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.654 -5.968 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.545 -4.555 -6.874 1.00 0.00 H new ATOM 867 N THR A 68 -0.788 -7.686 -4.929 1.00 0.00 N ATOM 868 CA THR A 68 0.336 -8.447 -4.412 1.00 0.00 C ATOM 869 C THR A 68 1.256 -7.543 -3.587 1.00 0.00 C ATOM 870 O THR A 68 1.436 -6.372 -3.914 1.00 0.00 O ATOM 871 CB THR A 68 1.040 -9.113 -5.595 1.00 0.00 C ATOM 872 OG1 THR A 68 0.033 -9.936 -6.179 1.00 0.00 O ATOM 873 CG2 THR A 68 2.118 -10.104 -5.152 1.00 0.00 C ATOM 0 H THR A 68 -0.559 -7.053 -5.695 1.00 0.00 H new ATOM 0 HA THR A 68 0.004 -9.230 -3.730 1.00 0.00 H new ATOM 0 HB THR A 68 1.488 -8.348 -6.229 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.195 -10.017 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.587 -10.548 -6.030 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.872 -9.582 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.664 -10.889 -4.547 1.00 0.00 H new ATOM 881 N VAL A 69 1.814 -8.124 -2.533 1.00 0.00 N ATOM 882 CA VAL A 69 2.711 -7.387 -1.662 1.00 0.00 C ATOM 883 C VAL A 69 4.151 -7.575 -2.140 1.00 0.00 C ATOM 884 O VAL A 69 4.881 -8.410 -1.607 1.00 0.00 O ATOM 885 CB VAL A 69 2.502 -7.821 -0.210 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.200 -6.861 0.755 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.012 -7.937 0.119 1.00 0.00 C ATOM 0 H VAL A 69 1.661 -9.096 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 69 2.493 -6.320 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 69 2.951 -8.807 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.036 -7.192 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.269 -6.848 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.793 -5.858 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.892 -8.247 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.530 -6.971 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.551 -8.676 -0.536 1.00 0.00 H new ATOM 897 N ARG A 70 4.517 -6.787 -3.140 1.00 0.00 N ATOM 898 CA ARG A 70 5.859 -6.858 -3.696 1.00 0.00 C ATOM 899 C ARG A 70 6.788 -5.886 -2.966 1.00 0.00 C ATOM 900 O ARG A 70 7.278 -4.925 -3.557 1.00 0.00 O ATOM 901 CB ARG A 70 5.853 -6.521 -5.190 1.00 0.00 C ATOM 902 CG ARG A 70 5.035 -7.544 -5.978 1.00 0.00 C ATOM 903 CD ARG A 70 5.946 -8.560 -6.671 1.00 0.00 C ATOM 904 NE ARG A 70 5.332 -9.008 -7.941 1.00 0.00 N ATOM 905 CZ ARG A 70 5.969 -9.738 -8.865 1.00 0.00 C ATOM 906 NH1 ARG A 70 7.242 -10.110 -8.669 1.00 0.00 N ATOM 907 NH2 ARG A 70 5.331 -10.098 -9.989 1.00 0.00 N ATOM 0 H ARG A 70 3.909 -6.096 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 70 6.219 -7.878 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.438 -5.524 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.876 -6.500 -5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.351 -8.063 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.424 -7.032 -6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.920 -8.113 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.114 -9.416 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 70 4.364 -8.744 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.727 -9.837 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.725 -10.666 -9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.362 -9.816 -10.138 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.815 -10.654 -10.694 1.00 0.00 H new ATOM 921 N ARG A 71 7.002 -6.171 -1.689 1.00 0.00 N ATOM 922 CA ARG A 71 7.863 -5.334 -0.871 1.00 0.00 C ATOM 923 C ARG A 71 9.093 -4.894 -1.671 1.00 0.00 C ATOM 924 O ARG A 71 9.605 -3.795 -1.474 1.00 0.00 O ATOM 925 CB ARG A 71 8.323 -6.077 0.385 1.00 0.00 C ATOM 926 CG ARG A 71 8.353 -5.144 1.595 1.00 0.00 C ATOM 927 CD ARG A 71 9.038 -5.813 2.788 1.00 0.00 C ATOM 928 NE ARG A 71 8.373 -7.098 3.099 1.00 0.00 N ATOM 929 CZ ARG A 71 8.571 -7.793 4.228 1.00 0.00 C ATOM 930 NH1 ARG A 71 9.417 -7.330 5.159 1.00 0.00 N ATOM 931 NH2 ARG A 71 7.925 -8.951 4.424 1.00 0.00 N ATOM 0 H ARG A 71 6.594 -6.969 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 71 7.286 -4.459 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.652 -6.913 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.315 -6.496 0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.880 -4.225 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.336 -4.862 1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.091 -5.984 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.999 -5.155 3.656 1.00 0.00 H new ATOM 0 HE ARG A 71 7.723 -7.479 2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.909 -6.450 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.568 -7.858 6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.283 -9.303 3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.076 -9.480 5.283 1.00 0.00 H new ATOM 945 N SER A 72 9.529 -5.778 -2.556 1.00 0.00 N ATOM 946 CA SER A 72 10.687 -5.495 -3.387 1.00 0.00 C ATOM 947 C SER A 72 10.248 -4.795 -4.677 1.00 0.00 C ATOM 948 O SER A 72 9.343 -5.265 -5.363 1.00 0.00 O ATOM 949 CB SER A 72 11.457 -6.777 -3.716 1.00 0.00 C ATOM 950 OG SER A 72 11.187 -7.240 -5.034 1.00 0.00 O ATOM 0 H SER A 72 9.102 -6.690 -2.716 1.00 0.00 H new ATOM 0 HA SER A 72 11.353 -4.835 -2.831 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.526 -6.595 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.192 -7.553 -2.998 1.00 0.00 H new ATOM 0 HG SER A 72 11.699 -8.058 -5.204 1.00 0.00 H new ATOM 956 N PHE A 73 10.911 -3.685 -4.964 1.00 0.00 N ATOM 957 CA PHE A 73 10.601 -2.917 -6.158 1.00 0.00 C ATOM 958 C PHE A 73 11.161 -1.498 -6.056 1.00 0.00 C ATOM 959 O PHE A 73 11.682 -1.105 -5.014 1.00 0.00 O ATOM 960 CB PHE A 73 9.076 -2.845 -6.262 1.00 0.00 C ATOM 961 CG PHE A 73 8.486 -3.706 -7.380 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.128 -3.797 -8.577 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.323 -4.380 -7.179 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.579 -4.594 -9.616 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.775 -5.176 -8.217 1.00 0.00 C ATOM 966 CZ PHE A 73 7.416 -5.268 -9.415 1.00 0.00 C ATOM 0 H PHE A 73 11.661 -3.299 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 73 11.045 -3.393 -7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.642 -3.156 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.782 -1.808 -6.423 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.054 -3.264 -8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.816 -4.309 -6.228 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.086 -4.665 -10.567 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.849 -5.709 -8.057 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.000 -5.876 -10.205 1.00 0.00 H new ATOM 976 N GLU A 74 11.035 -0.766 -7.156 1.00 0.00 N ATOM 977 CA GLU A 74 11.523 0.603 -7.202 1.00 0.00 C ATOM 978 C GLU A 74 10.495 1.552 -6.584 1.00 0.00 C ATOM 979 O GLU A 74 9.414 1.750 -7.135 1.00 0.00 O ATOM 980 CB GLU A 74 11.857 1.016 -8.638 1.00 0.00 C ATOM 981 CG GLU A 74 12.429 2.434 -8.679 1.00 0.00 C ATOM 982 CD GLU A 74 13.954 2.412 -8.570 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.568 3.416 -8.989 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.475 1.391 -8.067 1.00 0.00 O ATOM 0 H GLU A 74 10.603 -1.095 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 74 12.441 0.663 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.577 0.317 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.959 0.964 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.134 2.922 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.011 3.023 -7.863 1.00 0.00 H new ATOM 992 N GLY A 75 10.869 2.119 -5.445 1.00 0.00 N ATOM 993 CA GLY A 75 9.994 3.043 -4.745 1.00 0.00 C ATOM 994 C GLY A 75 10.079 4.444 -5.356 1.00 0.00 C ATOM 995 O GLY A 75 11.024 4.755 -6.078 1.00 0.00 O ATOM 0 H GLY A 75 11.767 1.955 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.966 2.683 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.270 3.084 -3.691 1.00 0.00 H new ATOM 999 N PHE A 76 9.077 5.252 -5.040 1.00 0.00 N ATOM 1000 CA PHE A 76 9.026 6.613 -5.548 1.00 0.00 C ATOM 1001 C PHE A 76 8.562 7.586 -4.462 1.00 0.00 C ATOM 1002 O PHE A 76 7.579 7.326 -3.768 1.00 0.00 O ATOM 1003 CB PHE A 76 8.010 6.624 -6.693 1.00 0.00 C ATOM 1004 CG PHE A 76 8.645 6.646 -8.086 1.00 0.00 C ATOM 1005 CD1 PHE A 76 9.445 5.621 -8.484 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.408 7.691 -8.924 1.00 0.00 C ATOM 1007 CE1 PHE A 76 10.032 5.640 -9.777 1.00 0.00 C ATOM 1008 CE2 PHE A 76 8.997 7.710 -10.217 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.797 6.685 -10.616 1.00 0.00 C ATOM 0 H PHE A 76 8.295 4.991 -4.439 1.00 0.00 H new ATOM 0 HA PHE A 76 10.017 6.925 -5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.373 5.744 -6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.365 7.496 -6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.634 4.793 -7.817 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.773 8.505 -8.607 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.665 4.825 -10.094 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.809 8.539 -10.883 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.246 6.701 -11.598 1.00 0.00 H new ATOM 1019 N LEU A 77 9.290 8.686 -4.349 1.00 0.00 N ATOM 1020 CA LEU A 77 8.967 9.700 -3.358 1.00 0.00 C ATOM 1021 C LEU A 77 7.687 10.426 -3.780 1.00 0.00 C ATOM 1022 O LEU A 77 7.335 10.441 -4.958 1.00 0.00 O ATOM 1023 CB LEU A 77 10.159 10.633 -3.137 1.00 0.00 C ATOM 1024 CG LEU A 77 11.470 9.959 -2.731 1.00 0.00 C ATOM 1025 CD1 LEU A 77 11.208 8.617 -2.043 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.407 9.814 -3.933 1.00 0.00 C ATOM 0 H LEU A 77 10.103 8.899 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 77 8.770 9.239 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.331 11.194 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.891 11.356 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 77 11.972 10.599 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.157 8.159 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.607 8.778 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.673 7.957 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.332 9.332 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.925 9.207 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.632 10.800 -4.340 1.00 0.00 H new ATOM 1038 N PHE A 78 7.025 11.012 -2.792 1.00 0.00 N ATOM 1039 CA PHE A 78 5.793 11.739 -3.045 1.00 0.00 C ATOM 1040 C PHE A 78 6.081 13.195 -3.420 1.00 0.00 C ATOM 1041 O PHE A 78 5.224 13.876 -3.980 1.00 0.00 O ATOM 1042 CB PHE A 78 4.982 11.710 -1.748 1.00 0.00 C ATOM 1043 CG PHE A 78 5.477 12.691 -0.683 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.479 12.330 0.162 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.914 13.926 -0.582 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.939 13.240 1.150 1.00 0.00 C ATOM 1047 CE2 PHE A 78 5.374 14.836 0.407 1.00 0.00 C ATOM 1048 CZ PHE A 78 6.376 14.475 1.252 1.00 0.00 C ATOM 0 H PHE A 78 7.319 10.998 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 78 5.254 11.279 -3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.940 11.934 -1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.008 10.701 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.926 11.350 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.118 14.214 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.735 12.952 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.927 15.816 0.488 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.725 15.168 2.004 1.00 0.00 H new ATOM 1058 N ASP A 79 7.291 13.627 -3.097 1.00 0.00 N ATOM 1059 CA ASP A 79 7.704 14.989 -3.392 1.00 0.00 C ATOM 1060 C ASP A 79 7.668 15.211 -4.904 1.00 0.00 C ATOM 1061 O ASP A 79 7.136 16.213 -5.377 1.00 0.00 O ATOM 1062 CB ASP A 79 9.132 15.249 -2.908 1.00 0.00 C ATOM 1063 CG ASP A 79 9.302 16.494 -2.036 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.162 16.438 -1.130 1.00 0.00 O ATOM 1065 OD2 ASP A 79 8.569 17.472 -2.293 1.00 0.00 O ATOM 0 H ASP A 79 7.999 13.058 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 79 7.022 15.667 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.473 14.380 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.783 15.341 -3.777 1.00 0.00 H new ATOM 1071 N GLY A 80 8.242 14.255 -5.624 1.00 0.00 N ATOM 1072 CA GLY A 80 8.283 14.336 -7.073 1.00 0.00 C ATOM 1073 C GLY A 80 9.376 13.427 -7.642 1.00 0.00 C ATOM 1074 O GLY A 80 9.287 12.982 -8.784 1.00 0.00 O ATOM 0 H GLY A 80 8.681 13.423 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.315 14.049 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.466 15.366 -7.378 1.00 0.00 H new ATOM 1078 N THR A 81 10.384 13.183 -6.817 1.00 0.00 N ATOM 1079 CA THR A 81 11.494 12.338 -7.223 1.00 0.00 C ATOM 1080 C THR A 81 11.207 10.875 -6.872 1.00 0.00 C ATOM 1081 O THR A 81 10.250 10.580 -6.159 1.00 0.00 O ATOM 1082 CB THR A 81 12.765 12.880 -6.568 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.739 11.865 -6.804 1.00 0.00 O ATOM 1084 CG2 THR A 81 12.658 12.945 -5.043 1.00 0.00 C ATOM 0 H THR A 81 10.455 13.555 -5.870 1.00 0.00 H new ATOM 0 HA THR A 81 11.633 12.360 -8.304 1.00 0.00 H new ATOM 0 HB THR A 81 12.977 13.875 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.977 11.855 -7.755 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.587 13.337 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.832 13.599 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.478 11.945 -4.648 1.00 0.00 H new ATOM 1092 N ARG A 82 12.055 9.998 -7.390 1.00 0.00 N ATOM 1093 CA ARG A 82 11.903 8.575 -7.139 1.00 0.00 C ATOM 1094 C ARG A 82 13.076 8.055 -6.307 1.00 0.00 C ATOM 1095 O ARG A 82 14.176 8.602 -6.369 1.00 0.00 O ATOM 1096 CB ARG A 82 11.829 7.791 -8.451 1.00 0.00 C ATOM 1097 CG ARG A 82 13.084 8.018 -9.298 1.00 0.00 C ATOM 1098 CD ARG A 82 13.134 7.044 -10.479 1.00 0.00 C ATOM 1099 NE ARG A 82 13.930 7.627 -11.581 1.00 0.00 N ATOM 1100 CZ ARG A 82 13.457 8.523 -12.457 1.00 0.00 C ATOM 1101 NH1 ARG A 82 12.188 8.945 -12.366 1.00 0.00 N ATOM 1102 NH2 ARG A 82 14.252 8.997 -13.426 1.00 0.00 N ATOM 0 H ARG A 82 12.848 10.245 -7.981 1.00 0.00 H new ATOM 0 HA ARG A 82 10.973 8.431 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.717 6.728 -8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.947 8.098 -9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.097 9.043 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.972 7.891 -8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.573 6.098 -10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.123 6.826 -10.825 1.00 0.00 H new ATOM 0 HE ARG A 82 14.900 7.328 -11.680 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.582 8.584 -11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.828 9.627 -13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.217 8.675 -13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.892 9.679 -14.093 1.00 0.00 H new ATOM 1116 N TRP A 83 12.801 7.004 -5.549 1.00 0.00 N ATOM 1117 CA TRP A 83 13.821 6.404 -4.705 1.00 0.00 C ATOM 1118 C TRP A 83 14.278 5.104 -5.369 1.00 0.00 C ATOM 1119 O TRP A 83 15.254 5.094 -6.116 1.00 0.00 O ATOM 1120 CB TRP A 83 13.303 6.199 -3.281 1.00 0.00 C ATOM 1121 CG TRP A 83 14.372 5.735 -2.289 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.419 4.585 -1.604 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.555 6.464 -1.898 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.541 4.520 -0.803 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.255 5.698 -0.987 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.019 7.728 -2.301 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.456 6.109 -0.402 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.224 8.125 -1.705 1.00 0.00 C ATOM 1129 CH2 TRP A 83 17.939 7.366 -0.788 1.00 0.00 C ATOM 0 H TRP A 83 11.888 6.553 -5.501 1.00 0.00 H new ATOM 0 HA TRP A 83 14.681 7.066 -4.608 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.873 7.135 -2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.498 5.465 -3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.673 3.807 -1.670 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.799 3.748 -0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.490 8.344 -3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.983 5.491 0.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.625 9.090 -1.978 1.00 0.00 H new ATOM 0 HH2 TRP A 83 18.863 7.743 -0.374 1.00 0.00 H new ATOM 1140 N GLY A 84 13.551 4.037 -5.069 1.00 0.00 N ATOM 1141 CA GLY A 84 13.870 2.734 -5.627 1.00 0.00 C ATOM 1142 C GLY A 84 13.977 1.678 -4.526 1.00 0.00 C ATOM 1143 O GLY A 84 13.017 0.956 -4.256 1.00 0.00 O ATOM 0 H GLY A 84 12.743 4.049 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.101 2.442 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.810 2.789 -6.175 1.00 0.00 H new ATOM 1147 N THR A 85 15.154 1.621 -3.918 1.00 0.00 N ATOM 1148 CA THR A 85 15.400 0.664 -2.852 1.00 0.00 C ATOM 1149 C THR A 85 15.408 -0.762 -3.405 1.00 0.00 C ATOM 1150 O THR A 85 16.415 -1.464 -3.310 1.00 0.00 O ATOM 1151 CB THR A 85 14.346 0.886 -1.765 1.00 0.00 C ATOM 1152 OG1 THR A 85 14.809 2.037 -1.063 1.00 0.00 O ATOM 1153 CG2 THR A 85 14.351 -0.221 -0.708 1.00 0.00 C ATOM 0 H THR A 85 15.947 2.222 -4.143 1.00 0.00 H new ATOM 0 HA THR A 85 16.384 0.813 -2.408 1.00 0.00 H new ATOM 0 HB THR A 85 13.359 0.945 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.960 2.768 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.585 -0.014 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.145 -1.180 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.327 -0.259 -0.225 1.00 0.00 H new ATOM 1161 N VAL A 86 14.275 -1.150 -3.972 1.00 0.00 N ATOM 1162 CA VAL A 86 14.139 -2.481 -4.543 1.00 0.00 C ATOM 1163 C VAL A 86 13.742 -3.464 -3.440 1.00 0.00 C ATOM 1164 O VAL A 86 13.240 -4.550 -3.724 1.00 0.00 O ATOM 1165 CB VAL A 86 15.432 -2.876 -5.260 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.182 -4.018 -6.246 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.060 -1.671 -5.962 1.00 0.00 C ATOM 0 H VAL A 86 13.442 -0.566 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 86 13.349 -2.498 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 86 16.139 -3.230 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.116 -4.281 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.801 -4.886 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.451 -3.702 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.977 -1.979 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.361 -1.273 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.290 -0.901 -5.226 1.00 0.00 H new ATOM 1177 N ASP A 87 13.981 -3.049 -2.204 1.00 0.00 N ATOM 1178 CA ASP A 87 13.653 -3.879 -1.058 1.00 0.00 C ATOM 1179 C ASP A 87 13.059 -3.004 0.047 1.00 0.00 C ATOM 1180 O ASP A 87 13.791 -2.327 0.768 1.00 0.00 O ATOM 1181 CB ASP A 87 14.904 -4.563 -0.500 1.00 0.00 C ATOM 1182 CG ASP A 87 14.673 -5.964 0.071 1.00 0.00 C ATOM 1183 OD1 ASP A 87 15.662 -6.726 0.120 1.00 0.00 O ATOM 1184 OD2 ASP A 87 13.512 -6.240 0.444 1.00 0.00 O ATOM 0 H ASP A 87 14.398 -2.148 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 87 12.940 -4.637 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.649 -4.628 -1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.326 -3.933 0.283 1.00 0.00 H new ATOM 1190 N CYS A 88 11.740 -3.047 0.146 1.00 0.00 N ATOM 1191 CA CYS A 88 11.038 -2.267 1.152 1.00 0.00 C ATOM 1192 C CYS A 88 10.874 -3.133 2.403 1.00 0.00 C ATOM 1193 O CYS A 88 9.799 -3.173 2.999 1.00 0.00 O ATOM 1194 CB CYS A 88 9.694 -1.751 0.634 1.00 0.00 C ATOM 1195 SG CYS A 88 8.668 -0.895 1.884 1.00 0.00 S ATOM 0 H CYS A 88 11.137 -3.610 -0.454 1.00 0.00 H new ATOM 0 HA CYS A 88 11.621 -1.380 1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.878 -1.067 -0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.128 -2.592 0.234 1.00 0.00 H new ATOM 1200 N THR A 89 11.957 -3.804 2.765 1.00 0.00 N ATOM 1201 CA THR A 89 11.946 -4.668 3.934 1.00 0.00 C ATOM 1202 C THR A 89 12.367 -3.884 5.179 1.00 0.00 C ATOM 1203 O THR A 89 12.206 -4.361 6.302 1.00 0.00 O ATOM 1204 CB THR A 89 12.843 -5.872 3.642 1.00 0.00 C ATOM 1205 OG1 THR A 89 12.760 -6.662 4.824 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.322 -5.493 3.551 1.00 0.00 C ATOM 0 H THR A 89 12.848 -3.767 2.270 1.00 0.00 H new ATOM 0 HA THR A 89 10.942 -5.037 4.144 1.00 0.00 H new ATOM 0 HB THR A 89 12.530 -6.339 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.481 -6.098 5.575 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.914 -6.384 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.463 -4.768 2.750 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.645 -5.056 4.496 1.00 0.00 H new ATOM 1214 N THR A 90 12.901 -2.695 4.937 1.00 0.00 N ATOM 1215 CA THR A 90 13.348 -1.841 6.027 1.00 0.00 C ATOM 1216 C THR A 90 12.194 -0.969 6.526 1.00 0.00 C ATOM 1217 O THR A 90 11.893 -0.954 7.717 1.00 0.00 O ATOM 1218 CB THR A 90 14.549 -1.034 5.531 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.605 -1.988 5.469 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.032 -0.013 6.561 1.00 0.00 C ATOM 0 H THR A 90 13.034 -2.303 4.005 1.00 0.00 H new ATOM 0 HA THR A 90 13.666 -2.429 6.888 1.00 0.00 H new ATOM 0 HB THR A 90 14.285 -0.521 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.423 -1.550 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.886 0.533 6.159 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.227 0.687 6.785 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.328 -0.529 7.474 1.00 0.00 H new ATOM 1228 N ALA A 91 11.579 -0.260 5.589 1.00 0.00 N ATOM 1229 CA ALA A 91 10.467 0.614 5.920 1.00 0.00 C ATOM 1230 C ALA A 91 9.155 -0.148 5.731 1.00 0.00 C ATOM 1231 O ALA A 91 8.778 -0.476 4.608 1.00 0.00 O ATOM 1232 CB ALA A 91 10.537 1.877 5.060 1.00 0.00 C ATOM 0 H ALA A 91 11.831 -0.274 4.601 1.00 0.00 H new ATOM 0 HA ALA A 91 10.520 0.927 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.703 2.533 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.476 2.396 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.482 1.603 4.006 1.00 0.00 H new ATOM 1238 N ALA A 92 8.492 -0.407 6.850 1.00 0.00 N ATOM 1239 CA ALA A 92 7.228 -1.125 6.823 1.00 0.00 C ATOM 1240 C ALA A 92 6.325 -0.516 5.748 1.00 0.00 C ATOM 1241 O ALA A 92 5.879 0.622 5.877 1.00 0.00 O ATOM 1242 CB ALA A 92 6.589 -1.083 8.211 1.00 0.00 C ATOM 0 H ALA A 92 8.807 -0.132 7.781 1.00 0.00 H new ATOM 0 HA ALA A 92 7.386 -2.173 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.641 -1.621 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.257 -1.551 8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.412 -0.047 8.499 1.00 0.00 H new ATOM 1248 N CYS A 93 6.085 -1.304 4.710 1.00 0.00 N ATOM 1249 CA CYS A 93 5.244 -0.856 3.612 1.00 0.00 C ATOM 1250 C CYS A 93 3.780 -1.024 4.028 1.00 0.00 C ATOM 1251 O CYS A 93 3.369 -2.109 4.438 1.00 0.00 O ATOM 1252 CB CYS A 93 5.558 -1.608 2.316 1.00 0.00 C ATOM 1253 SG CYS A 93 7.244 -2.311 2.229 1.00 0.00 S ATOM 0 H CYS A 93 6.457 -2.248 4.606 1.00 0.00 H new ATOM 0 HA CYS A 93 5.443 0.195 3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.836 -2.416 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.419 -0.929 1.475 1.00 0.00 H new ATOM 1258 N GLN A 94 3.036 0.065 3.911 1.00 0.00 N ATOM 1259 CA GLN A 94 1.628 0.052 4.271 1.00 0.00 C ATOM 1260 C GLN A 94 0.765 -0.166 3.028 1.00 0.00 C ATOM 1261 O GLN A 94 0.767 0.660 2.116 1.00 0.00 O ATOM 1262 CB GLN A 94 1.235 1.341 4.995 1.00 0.00 C ATOM 1263 CG GLN A 94 1.955 1.457 6.341 1.00 0.00 C ATOM 1264 CD GLN A 94 2.342 2.907 6.632 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.821 3.634 5.773 1.00 0.00 O ATOM 1266 NE2 GLN A 94 2.111 3.289 7.885 1.00 0.00 N ATOM 0 H GLN A 94 3.381 0.963 3.572 1.00 0.00 H new ATOM 0 HA GLN A 94 1.456 -0.777 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.480 2.201 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.157 1.359 5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.310 1.082 7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.848 0.833 6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.709 2.631 8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.336 4.240 8.178 1.00 0.00 H new ATOM 1275 N VAL A 95 0.048 -1.279 3.030 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.819 -1.615 1.913 1.00 0.00 C ATOM 1277 C VAL A 95 -2.186 -0.960 2.120 1.00 0.00 C ATOM 1278 O VAL A 95 -2.859 -1.223 3.117 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.901 -3.135 1.752 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.455 -3.511 0.377 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.464 -3.786 1.990 1.00 0.00 C ATOM 0 H VAL A 95 0.049 -1.961 3.788 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.410 -1.226 0.981 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.590 -3.515 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.503 -4.596 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.455 -3.093 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.802 -3.112 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.378 -4.866 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.183 -3.397 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.804 -3.560 3.001 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.556 -0.123 1.164 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.832 0.570 1.228 1.00 0.00 C ATOM 1293 C GLY A 96 -4.060 1.419 -0.025 1.00 0.00 C ATOM 1294 O GLY A 96 -3.203 1.474 -0.906 1.00 0.00 O ATOM 0 H GLY A 96 -1.995 0.092 0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.639 -0.156 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.860 1.206 2.113 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.219 2.059 -0.064 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.570 2.901 -1.196 1.00 0.00 C ATOM 1300 C LEU A 97 -5.453 4.371 -0.787 1.00 0.00 C ATOM 1301 O LEU A 97 -5.988 4.775 0.245 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.948 2.521 -1.741 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.810 1.646 -0.829 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.212 1.462 -1.411 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.127 0.305 -0.549 1.00 0.00 C ATOM 0 H LEU A 97 -5.927 2.012 0.669 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.874 2.742 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.497 3.437 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.811 2.000 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.922 2.157 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.804 0.836 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.692 2.435 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.141 0.984 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.761 -0.297 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.965 -0.224 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.168 0.480 -0.061 1.00 0.00 H new ATOM 1317 N SER A 98 -4.751 5.129 -1.617 1.00 0.00 N ATOM 1318 CA SER A 98 -4.559 6.544 -1.354 1.00 0.00 C ATOM 1319 C SER A 98 -5.494 7.373 -2.236 1.00 0.00 C ATOM 1320 O SER A 98 -6.093 6.848 -3.174 1.00 0.00 O ATOM 1321 CB SER A 98 -3.103 6.955 -1.589 1.00 0.00 C ATOM 1322 OG SER A 98 -2.724 6.813 -2.957 1.00 0.00 O ATOM 0 H SER A 98 -4.309 4.790 -2.471 1.00 0.00 H new ATOM 0 HA SER A 98 -4.797 6.732 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.964 7.991 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.449 6.345 -0.966 1.00 0.00 H new ATOM 0 HG SER A 98 -2.259 7.623 -3.253 1.00 0.00 H new ATOM 1328 N ASP A 99 -5.588 8.654 -1.906 1.00 0.00 N ATOM 1329 CA ASP A 99 -6.440 9.557 -2.657 1.00 0.00 C ATOM 1330 C ASP A 99 -5.637 10.177 -3.802 1.00 0.00 C ATOM 1331 O ASP A 99 -4.408 10.226 -3.748 1.00 0.00 O ATOM 1332 CB ASP A 99 -6.953 10.697 -1.770 1.00 0.00 C ATOM 1333 CG ASP A 99 -6.843 10.443 -0.265 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -5.739 10.041 0.164 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.865 10.655 0.422 1.00 0.00 O ATOM 0 H ASP A 99 -5.088 9.086 -1.129 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.286 8.984 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.398 11.604 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.998 10.887 -2.016 1.00 0.00 H new ATOM 1341 N ALA A 100 -6.362 10.634 -4.814 1.00 0.00 N ATOM 1342 CA ALA A 100 -5.730 11.246 -5.970 1.00 0.00 C ATOM 1343 C ALA A 100 -5.608 12.754 -5.740 1.00 0.00 C ATOM 1344 O ALA A 100 -5.182 13.489 -6.629 1.00 0.00 O ATOM 1345 CB ALA A 100 -6.535 10.913 -7.227 1.00 0.00 C ATOM 0 H ALA A 100 -7.380 10.592 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.724 10.851 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.061 11.372 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.569 9.832 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.550 11.297 -7.122 1.00 0.00 H new ATOM 1351 N ALA A 101 -5.988 13.169 -4.540 1.00 0.00 N ATOM 1352 CA ALA A 101 -5.927 14.576 -4.181 1.00 0.00 C ATOM 1353 C ALA A 101 -4.691 14.825 -3.315 1.00 0.00 C ATOM 1354 O ALA A 101 -4.090 15.895 -3.375 1.00 0.00 O ATOM 1355 CB ALA A 101 -7.224 14.982 -3.478 1.00 0.00 C ATOM 0 H ALA A 101 -6.339 12.556 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.834 15.195 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.177 16.037 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.068 14.815 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.352 14.383 -2.576 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.346 13.813 -2.530 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.192 13.908 -1.651 1.00 0.00 C ATOM 1363 C GLY A 102 -3.623 14.130 -0.201 1.00 0.00 C ATOM 1364 O GLY A 102 -3.141 15.049 0.460 1.00 0.00 O ATOM 0 H GLY A 102 -4.845 12.925 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.600 12.995 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.552 14.729 -1.973 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.528 13.273 0.251 1.00 0.00 N ATOM 1369 CA ASN A 103 -5.030 13.364 1.612 1.00 0.00 C ATOM 1370 C ASN A 103 -4.597 12.123 2.395 1.00 0.00 C ATOM 1371 O ASN A 103 -4.366 11.065 1.809 1.00 0.00 O ATOM 1372 CB ASN A 103 -6.559 13.427 1.633 1.00 0.00 C ATOM 1373 CG ASN A 103 -7.081 14.406 0.579 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -6.507 15.452 0.326 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -8.200 14.006 -0.022 1.00 0.00 N ATOM 0 H ASN A 103 -4.926 12.513 -0.301 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.626 14.272 2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.970 12.435 1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.901 13.735 2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.628 14.588 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.629 13.118 0.238 1.00 0.00 H new ATOM 1382 N GLY A 104 -4.500 12.293 3.705 1.00 0.00 N ATOM 1383 CA GLY A 104 -4.101 11.199 4.573 1.00 0.00 C ATOM 1384 C GLY A 104 -4.622 9.860 4.046 1.00 0.00 C ATOM 1385 O GLY A 104 -5.758 9.480 4.327 1.00 0.00 O ATOM 0 H GLY A 104 -4.691 13.172 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.014 11.166 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.483 11.371 5.579 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.745 9.166 3.273 1.00 0.00 N ATOM 1390 CA PRO A 105 -4.107 7.878 2.705 1.00 0.00 C ATOM 1391 C PRO A 105 -4.087 6.782 3.775 1.00 0.00 C ATOM 1392 O PRO A 105 -3.250 6.803 4.673 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.098 7.642 1.594 1.00 0.00 C ATOM 1394 CG PRO A 105 -1.933 8.576 1.882 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.393 9.585 2.921 1.00 0.00 C ATOM 0 HA PRO A 105 -5.124 7.861 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.770 6.603 1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.535 7.853 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.074 8.014 2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.616 9.083 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.738 9.582 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.385 10.598 2.519 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.021 5.852 3.637 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.121 4.750 4.578 1.00 0.00 C ATOM 1405 C GLU A 106 -4.287 3.562 4.097 1.00 0.00 C ATOM 1406 O GLU A 106 -4.405 3.140 2.949 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.581 4.342 4.794 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.078 4.790 6.168 1.00 0.00 C ATOM 1409 CD GLU A 106 -8.398 5.557 6.052 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -9.238 5.382 6.960 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -8.535 6.301 5.056 1.00 0.00 O ATOM 0 H GLU A 106 -5.714 5.839 2.889 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.725 5.083 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.204 4.783 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.677 3.260 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.214 3.920 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.327 5.422 6.642 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.460 3.055 4.999 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.604 1.924 4.682 1.00 0.00 C ATOM 1421 C GLY A 107 -2.180 1.183 5.951 1.00 0.00 C ATOM 1422 O GLY A 107 -1.953 1.801 6.989 1.00 0.00 O ATOM 0 H GLY A 107 -3.364 3.407 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.131 1.240 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.720 2.271 4.147 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.087 -0.134 5.825 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.695 -0.966 6.950 1.00 0.00 C ATOM 1428 C VAL A 108 -0.253 -1.437 6.753 1.00 0.00 C ATOM 1429 O VAL A 108 0.052 -2.124 5.780 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.684 -2.122 7.115 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.399 -3.234 6.104 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.660 -2.664 8.546 1.00 0.00 C ATOM 0 H VAL A 108 -2.276 -0.644 4.962 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.726 -0.394 7.877 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.685 -1.738 6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.116 -4.044 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.489 -2.838 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.389 -3.614 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.372 -3.485 8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.659 -3.025 8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.932 -1.869 9.241 1.00 0.00 H new ATOM 1442 N ALA A 109 0.597 -1.044 7.690 1.00 0.00 N ATOM 1443 CA ALA A 109 2.001 -1.417 7.631 1.00 0.00 C ATOM 1444 C ALA A 109 2.122 -2.941 7.682 1.00 0.00 C ATOM 1445 O ALA A 109 2.294 -3.518 8.755 1.00 0.00 O ATOM 1446 CB ALA A 109 2.759 -0.733 8.771 1.00 0.00 C ATOM 0 H ALA A 109 0.341 -0.471 8.494 1.00 0.00 H new ATOM 0 HA ALA A 109 2.448 -1.082 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.812 -1.012 8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.666 0.349 8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.340 -1.047 9.727 1.00 0.00 H new ATOM 1452 N ILE A 110 2.027 -3.550 6.510 1.00 0.00 N ATOM 1453 CA ILE A 110 2.124 -4.996 6.409 1.00 0.00 C ATOM 1454 C ILE A 110 3.486 -5.373 5.824 1.00 0.00 C ATOM 1455 O ILE A 110 4.139 -4.550 5.182 1.00 0.00 O ATOM 1456 CB ILE A 110 0.939 -5.558 5.619 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.137 -6.550 6.466 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.404 -6.177 4.299 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -1.089 -5.876 7.083 1.00 0.00 C ATOM 0 H ILE A 110 1.884 -3.069 5.622 1.00 0.00 H new ATOM 0 HA ILE A 110 2.065 -5.451 7.398 1.00 0.00 H new ATOM 0 HB ILE A 110 0.272 -4.733 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.178 -7.390 5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.770 -6.955 7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.543 -6.569 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.898 -5.416 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.103 -6.988 4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.642 -6.602 7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.769 -5.051 7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.732 -5.494 6.290 1.00 0.00 H new ATOM 1471 N SER A 111 3.876 -6.617 6.063 1.00 0.00 N ATOM 1472 CA SER A 111 5.149 -7.111 5.569 1.00 0.00 C ATOM 1473 C SER A 111 5.690 -8.194 6.505 1.00 0.00 C ATOM 1474 O SER A 111 6.066 -9.276 6.058 1.00 0.00 O ATOM 1475 CB SER A 111 6.164 -5.975 5.427 1.00 0.00 C ATOM 1476 OG SER A 111 6.116 -5.376 4.136 1.00 0.00 O ATOM 0 H SER A 111 3.332 -7.298 6.593 1.00 0.00 H new ATOM 0 HA SER A 111 4.988 -7.542 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.969 -5.217 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.167 -6.360 5.611 1.00 0.00 H new ATOM 0 HG SER A 111 5.225 -4.996 3.984 1.00 0.00 H new ATOM 1482 N PHE A 112 5.714 -7.861 7.788 1.00 0.00 N ATOM 1483 CA PHE A 112 6.203 -8.792 8.792 1.00 0.00 C ATOM 1484 C PHE A 112 5.916 -8.274 10.202 1.00 0.00 C ATOM 1485 O PHE A 112 5.339 -7.202 10.370 1.00 0.00 O ATOM 1486 CB PHE A 112 7.716 -8.901 8.600 1.00 0.00 C ATOM 1487 CG PHE A 112 8.345 -10.108 9.300 1.00 0.00 C ATOM 1488 CD1 PHE A 112 8.153 -11.359 8.805 1.00 0.00 C ATOM 1489 CD2 PHE A 112 9.098 -9.927 10.419 1.00 0.00 C ATOM 1490 CE1 PHE A 112 8.738 -12.478 9.456 1.00 0.00 C ATOM 1491 CE2 PHE A 112 9.684 -11.045 11.069 1.00 0.00 C ATOM 1492 CZ PHE A 112 9.490 -12.297 10.573 1.00 0.00 C ATOM 0 H PHE A 112 5.403 -6.961 8.155 1.00 0.00 H new ATOM 0 HA PHE A 112 5.708 -9.757 8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.934 -8.958 7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.186 -7.991 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.556 -11.502 7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.250 -8.933 10.813 1.00 0.00 H new ATOM 0 HE1 PHE A 112 8.585 -13.472 9.063 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.283 -10.902 11.956 1.00 0.00 H new ATOM 0 HZ PHE A 112 9.934 -13.148 11.068 1.00 0.00 H new ATOM 1502 N ASN A 113 6.335 -9.063 11.183 1.00 0.00 N ATOM 1503 CA ASN A 113 6.131 -8.699 12.575 1.00 0.00 C ATOM 1504 C ASN A 113 7.247 -7.751 13.019 1.00 0.00 C ATOM 1505 O ASN A 113 8.412 -7.958 12.684 1.00 0.00 O ATOM 1506 CB ASN A 113 6.171 -9.932 13.479 1.00 0.00 C ATOM 1507 CG ASN A 113 4.759 -10.359 13.887 1.00 0.00 C ATOM 1508 OD1 ASN A 113 3.960 -10.804 13.080 1.00 0.00 O ATOM 1509 ND2 ASN A 113 4.500 -10.200 15.181 1.00 0.00 N ATOM 0 H ASN A 113 6.814 -9.952 11.040 1.00 0.00 H new ATOM 0 HA ASN A 113 5.154 -8.222 12.659 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.667 -10.752 12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.761 -9.715 14.370 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.586 -10.457 15.553 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.216 -9.821 15.802 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.369 6.654 1.285 1.00 0.00 C HETATM 1518 C6 NCZ A 130 -0.045 6.180 0.036 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.761 4.966 -0.025 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -1.178 4.440 -1.242 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.852 5.099 -2.412 1.00 0.00 C HETATM 1522 C9 NCZ A 130 -0.132 6.308 -2.379 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.250 6.900 -1.144 1.00 0.00 C HETATM 1524 C11 NCZ A 130 0.565 8.309 -1.097 1.00 0.00 C HETATM 1525 O3 NCZ A 130 0.988 8.879 -2.104 1.00 0.00 O HETATM 1526 O4 NCZ A 130 0.455 9.143 0.106 1.00 0.00 O HETATM 1527 C12 NCZ A 130 0.699 10.584 -0.011 1.00 0.00 C HETATM 1528 C13 NCZ A 130 0.956 11.234 1.351 1.00 0.00 C HETATM 1529 C14 NCZ A 130 -0.187 11.763 1.807 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -1.264 11.795 0.787 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.578 11.287 -0.498 1.00 0.00 C HETATM 1532 O6 NCZ A 130 -0.285 12.440 -1.339 1.00 0.00 O HETATM 1533 O5 NCZ A 130 1.933 12.268 1.220 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.148 6.912 -3.615 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -1.057 4.314 1.149 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.641 4.827 2.369 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.080 5.994 2.449 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.484 6.454 3.692 1.00 0.00 O HETATM 1539 C17 NCZ A 130 0.855 7.813 3.997 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.847 3.044 1.177 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.832 3.218 0.743 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.327 2.279 0.601 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -1.959 2.708 2.208 1.00 0.00 H new HETATM 0 H173 NCZ A 130 1.704 8.106 3.380 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.013 8.475 3.793 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.128 7.888 5.049 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -1.156 4.678 -3.371 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.757 3.517 -1.273 1.00 0.00 H new HETATM 0 H6 NCZ A 130 0.492 12.918 -0.980 1.00 0.00 H new HETATM 0 H5 NCZ A 130 2.092 12.681 2.094 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.892 4.292 3.285 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.113 6.885 -3.781 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -1.185 10.602 -1.090 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -2.301 12.106 0.916 1.00 0.00 H new HETATM 0 H14 NCZ A 130 -0.313 12.133 2.825 1.00 0.00 H new HETATM 0 H13 NCZ A 130 1.322 10.480 2.047 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.552 10.688 -0.682 1.00 0.00 H new HETATM 0 H1 NCZ A 130 0.941 7.580 1.333 1.00 0.00 H new