USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 788 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 99 SER OG : rot -71:sc= 0.973 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -96:sc= 0.0343 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -1.89 F(o=-3.5!,f=-1.9) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -1.95! C(o=-2.9!,f=-1.9!) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.226 F(o=-1.3,f=-0.23) USER MOD Single : A 41 SER OG : rot -139:sc= 0.0468 USER MOD Single : A 42 SER OG : rot 180:sc= -0.206 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.408 (180deg=0.169) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.0324 (180deg=-0.235) USER MOD Single : A 64 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.107 (180deg=-0.107) USER MOD Single : A 76 MET CE :methyl -165:sc= 0 (180deg=-0.318) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= 0.942 F(o=0,f=0.94) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=-0.39) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0642 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 29:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -20.536 19.396 12.517 1.00 0.00 N ATOM 2 CA GLY A -2 -19.713 18.493 11.667 1.00 0.00 C ATOM 3 C GLY A -2 -19.441 19.074 10.291 1.00 0.00 C ATOM 4 O GLY A -2 -20.051 18.657 9.305 1.00 0.00 O ATOM 0 H1 GLY A -2 -20.692 18.952 13.445 1.00 0.00 H new ATOM 0 H2 GLY A -2 -20.039 20.301 12.645 1.00 0.00 H new ATOM 0 H3 GLY A -2 -21.452 19.567 12.056 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -18.765 18.293 12.167 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -20.224 17.536 11.559 1.00 0.00 H new ATOM 10 N SER A -1 -18.523 20.041 10.226 1.00 0.00 N ATOM 11 CA SER A -1 -18.166 20.687 8.962 1.00 0.00 C ATOM 12 C SER A -1 -16.866 20.107 8.402 1.00 0.00 C ATOM 13 O SER A -1 -15.897 19.912 9.137 1.00 0.00 O ATOM 14 CB SER A -1 -18.022 22.199 9.160 1.00 0.00 C ATOM 15 OG SER A -1 -17.898 22.869 7.917 1.00 0.00 O ATOM 0 H SER A -1 -18.013 20.394 11.036 1.00 0.00 H new ATOM 0 HA SER A -1 -18.966 20.497 8.246 1.00 0.00 H new ATOM 0 HB2 SER A -1 -18.889 22.582 9.698 1.00 0.00 H new ATOM 0 HB3 SER A -1 -17.147 22.406 9.777 1.00 0.00 H new ATOM 0 HG SER A -1 -17.809 23.833 8.072 1.00 0.00 H new ATOM 21 N HIS A 0 -16.856 19.834 7.095 1.00 0.00 N ATOM 22 CA HIS A 0 -15.677 19.275 6.430 1.00 0.00 C ATOM 23 C HIS A 0 -15.525 19.840 5.016 1.00 0.00 C ATOM 24 O HIS A 0 -16.518 20.145 4.352 1.00 0.00 O ATOM 25 CB HIS A 0 -15.764 17.743 6.381 1.00 0.00 C ATOM 26 CG HIS A 0 -17.027 17.225 5.758 1.00 0.00 C ATOM 27 ND1 HIS A 0 -18.195 17.035 6.467 1.00 0.00 N ATOM 28 CD2 HIS A 0 -17.299 16.856 4.482 1.00 0.00 C ATOM 29 CE1 HIS A 0 -19.129 16.571 5.656 1.00 0.00 C ATOM 30 NE2 HIS A 0 -18.612 16.455 4.447 1.00 0.00 N ATOM 0 H HIS A 0 -17.652 19.991 6.476 1.00 0.00 H new ATOM 0 HA HIS A 0 -14.798 19.560 7.009 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -14.911 17.358 5.823 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -15.684 17.352 7.395 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -16.612 16.874 3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -20.144 16.328 5.935 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -19.108 16.121 3.620 1.00 0.00 H new ATOM 39 N MET A 1 -14.277 19.973 4.564 1.00 0.00 N ATOM 40 CA MET A 1 -13.990 20.499 3.228 1.00 0.00 C ATOM 41 C MET A 1 -13.886 19.365 2.206 1.00 0.00 C ATOM 42 O MET A 1 -13.428 18.268 2.529 1.00 0.00 O ATOM 43 CB MET A 1 -12.688 21.310 3.242 1.00 0.00 C ATOM 44 CG MET A 1 -12.786 22.613 4.024 1.00 0.00 C ATOM 45 SD MET A 1 -11.248 23.556 4.005 1.00 0.00 S ATOM 46 CE MET A 1 -11.739 25.024 4.909 1.00 0.00 C ATOM 0 H MET A 1 -13.448 19.724 5.104 1.00 0.00 H new ATOM 0 HA MET A 1 -14.813 21.152 2.938 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.894 20.698 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.399 21.534 2.215 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.586 23.223 3.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.059 22.393 5.056 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.892 25.707 4.982 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.559 25.517 4.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.065 24.743 5.910 1.00 0.00 H new ATOM 56 N SER A 2 -14.315 19.641 0.973 1.00 0.00 N ATOM 57 CA SER A 2 -14.273 18.648 -0.101 1.00 0.00 C ATOM 58 C SER A 2 -12.985 18.778 -0.915 1.00 0.00 C ATOM 59 O SER A 2 -12.748 19.804 -1.556 1.00 0.00 O ATOM 60 CB SER A 2 -15.491 18.803 -1.017 1.00 0.00 C ATOM 61 OG SER A 2 -15.586 17.725 -1.931 1.00 0.00 O ATOM 0 H SER A 2 -14.696 20.545 0.694 1.00 0.00 H new ATOM 0 HA SER A 2 -14.294 17.657 0.353 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.398 18.853 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.420 19.743 -1.565 1.00 0.00 H new ATOM 0 HG SER A 2 -16.373 17.849 -2.502 1.00 0.00 H new ATOM 67 N ALA A 3 -12.157 17.732 -0.883 1.00 0.00 N ATOM 68 CA ALA A 3 -10.892 17.721 -1.616 1.00 0.00 C ATOM 69 C ALA A 3 -10.627 16.350 -2.239 1.00 0.00 C ATOM 70 O ALA A 3 -9.524 15.809 -2.133 1.00 0.00 O ATOM 71 CB ALA A 3 -9.746 18.124 -0.694 1.00 0.00 C ATOM 0 H ALA A 3 -12.342 16.879 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.961 18.446 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.809 18.112 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.926 19.127 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.683 17.421 0.137 1.00 0.00 H new ATOM 77 N GLY A 4 -11.649 15.793 -2.895 1.00 0.00 N ATOM 78 CA GLY A 4 -11.514 14.492 -3.531 1.00 0.00 C ATOM 79 C GLY A 4 -10.879 14.582 -4.906 1.00 0.00 C ATOM 80 O GLY A 4 -9.863 13.934 -5.168 1.00 0.00 O ATOM 0 H GLY A 4 -12.569 16.223 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.911 13.842 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.497 14.029 -3.618 1.00 0.00 H new ATOM 84 N GLU A 5 -11.480 15.385 -5.787 1.00 0.00 N ATOM 85 CA GLU A 5 -10.979 15.564 -7.141 1.00 0.00 C ATOM 86 C GLU A 5 -10.642 17.037 -7.408 1.00 0.00 C ATOM 87 O GLU A 5 -11.436 17.764 -8.007 1.00 0.00 O ATOM 88 CB GLU A 5 -12.017 15.060 -8.152 1.00 0.00 C ATOM 89 CG GLU A 5 -11.476 14.917 -9.564 1.00 0.00 C ATOM 90 CD GLU A 5 -12.507 14.377 -10.536 1.00 0.00 C ATOM 91 OE1 GLU A 5 -12.582 13.140 -10.696 1.00 0.00 O ATOM 92 OE2 GLU A 5 -13.239 15.191 -11.138 1.00 0.00 O ATOM 0 H GLU A 5 -12.321 15.923 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.063 14.983 -7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.397 14.094 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.863 15.748 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.127 15.888 -9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.612 14.253 -9.552 1.00 0.00 H new ATOM 99 N PRO A 6 -9.453 17.500 -6.961 1.00 0.00 N ATOM 100 CA PRO A 6 -9.020 18.892 -7.150 1.00 0.00 C ATOM 101 C PRO A 6 -8.543 19.165 -8.582 1.00 0.00 C ATOM 102 O PRO A 6 -8.730 18.333 -9.471 1.00 0.00 O ATOM 103 CB PRO A 6 -7.870 19.014 -6.148 1.00 0.00 C ATOM 104 CG PRO A 6 -7.276 17.654 -6.111 1.00 0.00 C ATOM 105 CD PRO A 6 -8.438 16.708 -6.224 1.00 0.00 C ATOM 0 HA PRO A 6 -9.823 19.612 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.141 19.759 -6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.229 19.319 -5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.571 17.511 -6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.725 17.491 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.167 15.800 -6.763 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.802 16.400 -5.244 1.00 0.00 H new ATOM 113 N HIS A 7 -7.927 20.331 -8.800 1.00 0.00 N ATOM 114 CA HIS A 7 -7.427 20.703 -10.127 1.00 0.00 C ATOM 115 C HIS A 7 -6.237 19.822 -10.522 1.00 0.00 C ATOM 116 O HIS A 7 -5.201 19.832 -9.855 1.00 0.00 O ATOM 117 CB HIS A 7 -7.020 22.183 -10.149 1.00 0.00 C ATOM 118 CG HIS A 7 -6.912 22.757 -11.530 1.00 0.00 C ATOM 119 ND1 HIS A 7 -7.999 23.230 -12.237 1.00 0.00 N ATOM 120 CD2 HIS A 7 -5.837 22.937 -12.334 1.00 0.00 C ATOM 121 CE1 HIS A 7 -7.596 23.673 -13.415 1.00 0.00 C ATOM 122 NE2 HIS A 7 -6.290 23.507 -13.498 1.00 0.00 N ATOM 0 H HIS A 7 -7.763 21.032 -8.077 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.228 20.548 -10.850 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.750 22.760 -9.581 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.061 22.295 -9.642 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.814 22.680 -12.103 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.229 24.099 -14.180 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.710 23.761 -14.298 1.00 0.00 H new ATOM 131 N GLU A 8 -6.399 19.054 -11.604 1.00 0.00 N ATOM 132 CA GLU A 8 -5.344 18.157 -12.083 1.00 0.00 C ATOM 133 C GLU A 8 -4.913 18.520 -13.507 1.00 0.00 C ATOM 134 O GLU A 8 -5.568 19.318 -14.179 1.00 0.00 O ATOM 135 CB GLU A 8 -5.820 16.694 -12.039 1.00 0.00 C ATOM 136 CG GLU A 8 -6.727 16.365 -10.853 1.00 0.00 C ATOM 137 CD GLU A 8 -8.156 16.065 -11.269 1.00 0.00 C ATOM 138 OE1 GLU A 8 -8.655 14.970 -10.931 1.00 0.00 O ATOM 139 OE2 GLU A 8 -8.777 16.923 -11.930 1.00 0.00 O ATOM 0 H GLU A 8 -7.251 19.036 -12.164 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.484 18.273 -11.423 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.353 16.469 -12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.948 16.041 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.321 15.506 -10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.725 17.203 -10.157 1.00 0.00 H new ATOM 146 N THR A 9 -3.805 17.921 -13.959 1.00 0.00 N ATOM 147 CA THR A 9 -3.280 18.169 -15.302 1.00 0.00 C ATOM 148 C THR A 9 -2.586 16.920 -15.861 1.00 0.00 C ATOM 149 O THR A 9 -2.898 16.476 -16.967 1.00 0.00 O ATOM 150 CB THR A 9 -2.319 19.372 -15.301 1.00 0.00 C ATOM 151 OG1 THR A 9 -1.618 19.458 -16.529 1.00 0.00 O ATOM 152 CG2 THR A 9 -1.288 19.340 -14.188 1.00 0.00 C ATOM 0 H THR A 9 -3.255 17.260 -13.411 1.00 0.00 H new ATOM 0 HA THR A 9 -4.122 18.406 -15.952 1.00 0.00 H new ATOM 0 HB THR A 9 -2.962 20.238 -15.144 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.741 19.031 -16.436 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.650 20.221 -14.257 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.795 19.334 -13.223 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.677 18.442 -14.283 1.00 0.00 H new ATOM 160 N ASP A 10 -1.656 16.353 -15.085 1.00 0.00 N ATOM 161 CA ASP A 10 -0.927 15.148 -15.493 1.00 0.00 C ATOM 162 C ASP A 10 -0.962 14.114 -14.373 1.00 0.00 C ATOM 163 O ASP A 10 -1.089 14.469 -13.200 1.00 0.00 O ATOM 164 CB ASP A 10 0.531 15.475 -15.846 1.00 0.00 C ATOM 165 CG ASP A 10 0.667 16.742 -16.672 1.00 0.00 C ATOM 166 OD1 ASP A 10 1.150 17.757 -16.128 1.00 0.00 O ATOM 167 OD2 ASP A 10 0.290 16.718 -17.863 1.00 0.00 O ATOM 0 H ASP A 10 -1.390 16.711 -14.168 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.414 14.744 -16.380 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.107 15.582 -14.927 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.963 14.639 -16.397 1.00 0.00 H new ATOM 172 N CYS A 11 -0.848 12.834 -14.730 1.00 0.00 N ATOM 173 CA CYS A 11 -0.870 11.769 -13.731 1.00 0.00 C ATOM 174 C CYS A 11 -0.047 10.552 -14.163 1.00 0.00 C ATOM 175 O CYS A 11 0.791 10.071 -13.400 1.00 0.00 O ATOM 176 CB CYS A 11 -2.311 11.342 -13.431 1.00 0.00 C ATOM 177 SG CYS A 11 -2.467 10.143 -12.064 1.00 0.00 S ATOM 0 H CYS A 11 -0.741 12.514 -15.692 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.415 12.173 -12.827 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.898 12.228 -13.191 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.744 10.907 -14.332 1.00 0.00 H new ATOM 182 N SER A 12 -0.299 10.047 -15.375 1.00 0.00 N ATOM 183 CA SER A 12 0.418 8.871 -15.884 1.00 0.00 C ATOM 184 C SER A 12 1.927 9.000 -15.701 1.00 0.00 C ATOM 185 O SER A 12 2.614 8.000 -15.497 1.00 0.00 O ATOM 186 CB SER A 12 0.112 8.636 -17.362 1.00 0.00 C ATOM 187 OG SER A 12 -1.255 8.315 -17.561 1.00 0.00 O ATOM 0 H SER A 12 -0.990 10.431 -16.020 1.00 0.00 H new ATOM 0 HA SER A 12 0.068 8.019 -15.301 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.365 9.529 -17.934 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.737 7.827 -17.741 1.00 0.00 H new ATOM 0 HG SER A 12 -1.422 8.172 -18.516 1.00 0.00 H new ATOM 193 N GLU A 13 2.440 10.229 -15.774 1.00 0.00 N ATOM 194 CA GLU A 13 3.871 10.468 -15.608 1.00 0.00 C ATOM 195 C GLU A 13 4.309 10.106 -14.197 1.00 0.00 C ATOM 196 O GLU A 13 5.306 9.412 -14.015 1.00 0.00 O ATOM 197 CB GLU A 13 4.224 11.921 -15.920 1.00 0.00 C ATOM 198 CG GLU A 13 3.935 12.333 -17.357 1.00 0.00 C ATOM 199 CD GLU A 13 4.974 11.820 -18.337 1.00 0.00 C ATOM 200 OE1 GLU A 13 4.794 10.701 -18.861 1.00 0.00 O ATOM 201 OE2 GLU A 13 5.967 12.538 -18.579 1.00 0.00 O ATOM 0 H GLU A 13 1.888 11.069 -15.946 1.00 0.00 H new ATOM 0 HA GLU A 13 4.405 9.832 -16.314 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.666 12.572 -15.247 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.282 12.080 -15.713 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.953 11.959 -17.647 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.892 13.421 -17.417 1.00 0.00 H new ATOM 208 N ILE A 14 3.537 10.544 -13.200 1.00 0.00 N ATOM 209 CA ILE A 14 3.845 10.219 -11.810 1.00 0.00 C ATOM 210 C ILE A 14 3.857 8.725 -11.649 1.00 0.00 C ATOM 211 O ILE A 14 4.779 8.177 -11.044 1.00 0.00 O ATOM 212 CB ILE A 14 2.845 10.852 -10.812 1.00 0.00 C ATOM 213 CG1 ILE A 14 3.177 12.344 -10.618 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.848 10.091 -9.482 1.00 0.00 C ATOM 215 CD1 ILE A 14 3.025 12.847 -9.195 1.00 0.00 C ATOM 0 H ILE A 14 2.704 11.118 -13.329 1.00 0.00 H new ATOM 0 HA ILE A 14 4.825 10.638 -11.579 1.00 0.00 H new ATOM 0 HB ILE A 14 1.837 10.779 -11.220 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.202 12.519 -10.943 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.531 12.934 -11.268 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.138 10.554 -8.796 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.562 9.054 -9.656 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.847 10.124 -9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.280 13.906 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.994 12.709 -8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.692 12.288 -8.538 1.00 0.00 H new ATOM 227 N LEU A 15 2.876 8.042 -12.240 1.00 0.00 N ATOM 228 CA LEU A 15 2.866 6.601 -12.186 1.00 0.00 C ATOM 229 C LEU A 15 4.138 6.135 -12.867 1.00 0.00 C ATOM 230 O LEU A 15 4.919 5.387 -12.283 1.00 0.00 O ATOM 231 CB LEU A 15 1.610 6.031 -12.861 1.00 0.00 C ATOM 232 CG LEU A 15 0.294 6.749 -12.503 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.874 6.146 -13.270 1.00 0.00 C ATOM 234 CD2 LEU A 15 0.034 6.699 -10.999 1.00 0.00 C ATOM 0 H LEU A 15 2.098 8.463 -12.749 1.00 0.00 H new ATOM 0 HA LEU A 15 2.835 6.244 -11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.746 6.072 -13.942 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.517 4.979 -12.592 1.00 0.00 H new ATOM 0 HG LEU A 15 0.392 7.795 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.793 6.667 -13.002 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.698 6.248 -14.341 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.969 5.090 -13.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.901 7.213 -10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.036 5.660 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.853 7.188 -10.472 1.00 0.00 H new ATOM 246 N ASP A 16 4.340 6.587 -14.118 1.00 0.00 N ATOM 247 CA ASP A 16 5.531 6.225 -14.886 1.00 0.00 C ATOM 248 C ASP A 16 6.778 6.173 -14.003 1.00 0.00 C ATOM 249 O ASP A 16 7.634 5.312 -14.216 1.00 0.00 O ATOM 250 CB ASP A 16 5.736 7.206 -16.044 1.00 0.00 C ATOM 251 CG ASP A 16 6.729 6.698 -17.073 1.00 0.00 C ATOM 252 OD1 ASP A 16 7.916 7.081 -16.993 1.00 0.00 O ATOM 253 OD2 ASP A 16 6.320 5.919 -17.960 1.00 0.00 O ATOM 0 H ASP A 16 3.692 7.201 -14.612 1.00 0.00 H new ATOM 0 HA ASP A 16 5.373 5.226 -15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.779 7.393 -16.530 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.084 8.160 -15.649 1.00 0.00 H new ATOM 258 N HIS A 17 6.873 7.032 -12.968 1.00 0.00 N ATOM 259 CA HIS A 17 8.011 6.960 -12.059 1.00 0.00 C ATOM 260 C HIS A 17 7.774 5.776 -11.139 1.00 0.00 C ATOM 261 O HIS A 17 8.555 4.830 -11.108 1.00 0.00 O ATOM 262 CB HIS A 17 8.185 8.222 -11.184 1.00 0.00 C ATOM 263 CG HIS A 17 7.798 9.528 -11.812 1.00 0.00 C ATOM 264 ND1 HIS A 17 7.725 9.928 -13.102 1.00 0.00 N flip ATOM 265 CD2 HIS A 17 7.451 10.627 -11.054 1.00 0.00 C flip ATOM 266 CE1 HIS A 17 7.341 11.248 -13.098 1.00 0.00 C flip ATOM 267 NE2 HIS A 17 7.181 11.643 -11.847 1.00 0.00 N flip ATOM 0 H HIS A 17 6.192 7.760 -12.753 1.00 0.00 H new ATOM 0 HA HIS A 17 8.915 6.866 -12.661 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.596 8.092 -10.276 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.230 8.285 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.407 10.651 -9.975 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.194 11.862 -13.974 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.897 12.576 -11.547 1.00 0.00 H new ATOM 276 N LEU A 18 6.661 5.842 -10.395 1.00 0.00 N ATOM 277 CA LEU A 18 6.275 4.780 -9.458 1.00 0.00 C ATOM 278 C LEU A 18 6.581 3.381 -9.999 1.00 0.00 C ATOM 279 O LEU A 18 6.785 2.466 -9.222 1.00 0.00 O ATOM 280 CB LEU A 18 4.781 4.864 -9.122 1.00 0.00 C ATOM 281 CG LEU A 18 4.423 5.783 -7.952 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.375 7.228 -8.416 1.00 0.00 C ATOM 283 CD2 LEU A 18 3.092 5.372 -7.333 1.00 0.00 C ATOM 0 H LEU A 18 6.009 6.626 -10.425 1.00 0.00 H new ATOM 0 HA LEU A 18 6.870 4.938 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.245 5.206 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.419 3.861 -8.898 1.00 0.00 H new ATOM 0 HG LEU A 18 5.195 5.689 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.119 7.872 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.349 7.516 -8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.622 7.335 -9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.856 6.038 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.306 5.436 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.162 4.347 -6.968 1.00 0.00 H new ATOM 295 N TYR A 19 6.592 3.210 -11.322 1.00 0.00 N ATOM 296 CA TYR A 19 6.873 1.903 -11.917 1.00 0.00 C ATOM 297 C TYR A 19 8.375 1.693 -12.163 1.00 0.00 C ATOM 298 O TYR A 19 9.005 0.851 -11.526 1.00 0.00 O ATOM 299 CB TYR A 19 6.084 1.731 -13.221 1.00 0.00 C ATOM 300 CG TYR A 19 6.055 0.304 -13.723 1.00 0.00 C ATOM 301 CD1 TYR A 19 4.890 -0.459 -13.672 1.00 0.00 C ATOM 302 CD2 TYR A 19 7.205 -0.283 -14.238 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.880 -1.766 -14.121 1.00 0.00 C ATOM 304 CE2 TYR A 19 7.206 -1.584 -14.689 1.00 0.00 C ATOM 305 CZ TYR A 19 6.040 -2.326 -14.629 1.00 0.00 C ATOM 306 OH TYR A 19 6.033 -3.627 -15.078 1.00 0.00 O ATOM 0 H TYR A 19 6.411 3.953 -11.997 1.00 0.00 H new ATOM 0 HA TYR A 19 6.553 1.143 -11.205 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.061 2.074 -13.066 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.522 2.369 -13.989 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.984 -0.024 -13.277 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.117 0.294 -14.285 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.971 -2.348 -14.076 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.110 -2.022 -15.086 1.00 0.00 H new ATOM 0 HH TYR A 19 6.926 -3.865 -15.404 1.00 0.00 H new ATOM 316 N GLU A 20 8.928 2.434 -13.123 1.00 0.00 N ATOM 317 CA GLU A 20 10.347 2.308 -13.488 1.00 0.00 C ATOM 318 C GLU A 20 11.279 2.773 -12.369 1.00 0.00 C ATOM 319 O GLU A 20 12.427 2.341 -12.284 1.00 0.00 O ATOM 320 CB GLU A 20 10.640 3.132 -14.741 1.00 0.00 C ATOM 321 CG GLU A 20 9.622 2.949 -15.855 1.00 0.00 C ATOM 322 CD GLU A 20 10.038 3.624 -17.148 1.00 0.00 C ATOM 323 OE1 GLU A 20 9.726 4.821 -17.321 1.00 0.00 O ATOM 324 OE2 GLU A 20 10.675 2.956 -17.990 1.00 0.00 O ATOM 0 H GLU A 20 8.417 3.131 -13.666 1.00 0.00 H new ATOM 0 HA GLU A 20 10.533 1.250 -13.670 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.679 4.187 -14.469 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.627 2.863 -15.117 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.477 1.884 -16.037 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.662 3.351 -15.533 1.00 0.00 H new ATOM 331 N PHE A 21 10.780 3.669 -11.533 1.00 0.00 N ATOM 332 CA PHE A 21 11.553 4.225 -10.426 1.00 0.00 C ATOM 333 C PHE A 21 11.847 3.166 -9.366 1.00 0.00 C ATOM 334 O PHE A 21 12.976 3.041 -8.888 1.00 0.00 O ATOM 335 CB PHE A 21 10.774 5.390 -9.782 1.00 0.00 C ATOM 336 CG PHE A 21 11.641 6.405 -9.098 1.00 0.00 C ATOM 337 CD1 PHE A 21 12.645 6.005 -8.240 1.00 0.00 C ATOM 338 CD2 PHE A 21 11.458 7.758 -9.328 1.00 0.00 C ATOM 339 CE1 PHE A 21 13.458 6.936 -7.623 1.00 0.00 C ATOM 340 CE2 PHE A 21 12.262 8.695 -8.712 1.00 0.00 C ATOM 341 CZ PHE A 21 13.266 8.283 -7.858 1.00 0.00 C ATOM 0 H PHE A 21 9.830 4.033 -11.599 1.00 0.00 H new ATOM 0 HA PHE A 21 12.502 4.584 -10.824 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.187 5.890 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.068 4.984 -9.057 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.797 4.953 -8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.676 8.084 -9.998 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.243 6.610 -6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.107 9.748 -8.897 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.899 9.012 -7.375 1.00 0.00 H new ATOM 351 N LEU A 22 10.807 2.435 -8.993 1.00 0.00 N ATOM 352 CA LEU A 22 10.964 1.418 -7.950 1.00 0.00 C ATOM 353 C LEU A 22 11.345 0.034 -8.482 1.00 0.00 C ATOM 354 O LEU A 22 12.133 -0.658 -7.834 1.00 0.00 O ATOM 355 CB LEU A 22 9.791 1.368 -6.935 1.00 0.00 C ATOM 356 CG LEU A 22 8.352 1.370 -7.481 1.00 0.00 C ATOM 357 CD1 LEU A 22 8.237 0.532 -8.741 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.369 0.880 -6.424 1.00 0.00 C ATOM 0 H LEU A 22 9.867 2.518 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 22 11.828 1.759 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.915 0.471 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.894 2.222 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 22 8.100 2.399 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.208 0.555 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.898 0.935 -9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.522 -0.497 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.359 0.891 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.630 -0.136 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.414 1.535 -5.554 1.00 0.00 H new ATOM 370 N ASP A 23 10.800 -0.411 -9.620 1.00 0.00 N ATOM 371 CA ASP A 23 11.118 -1.749 -10.145 1.00 0.00 C ATOM 372 C ASP A 23 12.563 -1.887 -10.622 1.00 0.00 C ATOM 373 O ASP A 23 13.080 -3.001 -10.724 1.00 0.00 O ATOM 374 CB ASP A 23 10.199 -2.058 -11.332 1.00 0.00 C ATOM 375 CG ASP A 23 10.026 -3.549 -11.568 1.00 0.00 C ATOM 376 OD1 ASP A 23 9.685 -4.269 -10.607 1.00 0.00 O ATOM 377 OD2 ASP A 23 10.233 -3.995 -12.717 1.00 0.00 O ATOM 0 H ASP A 23 10.146 0.125 -10.190 1.00 0.00 H new ATOM 0 HA ASP A 23 10.971 -2.446 -9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.222 -1.606 -11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.607 -1.597 -12.232 1.00 0.00 H new ATOM 382 N LYS A 24 13.193 -0.768 -10.954 1.00 0.00 N ATOM 383 CA LYS A 24 14.554 -0.782 -11.470 1.00 0.00 C ATOM 384 C LYS A 24 15.570 -0.327 -10.424 1.00 0.00 C ATOM 385 O LYS A 24 16.651 0.167 -10.753 1.00 0.00 O ATOM 386 CB LYS A 24 14.617 0.095 -12.712 1.00 0.00 C ATOM 387 CG LYS A 24 14.364 -0.658 -14.016 1.00 0.00 C ATOM 388 CD LYS A 24 12.875 -0.933 -14.248 1.00 0.00 C ATOM 389 CE LYS A 24 12.640 -1.654 -15.567 1.00 0.00 C ATOM 390 NZ LYS A 24 11.194 -1.926 -15.807 1.00 0.00 N ATOM 0 H LYS A 24 12.782 0.162 -10.875 1.00 0.00 H new ATOM 0 HA LYS A 24 14.819 -1.807 -11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.882 0.895 -12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.598 0.568 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.759 -0.078 -14.850 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.908 -1.603 -13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.483 -1.535 -13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.325 0.008 -14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.036 -1.052 -16.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.191 -2.595 -15.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.080 -2.418 -16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.821 -2.523 -15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.671 -1.027 -15.832 1.00 0.00 H new ATOM 404 N GLU A 25 15.203 -0.519 -9.167 1.00 0.00 N ATOM 405 CA GLU A 25 16.025 -0.167 -8.019 1.00 0.00 C ATOM 406 C GLU A 25 16.276 1.332 -7.940 1.00 0.00 C ATOM 407 O GLU A 25 16.442 2.006 -8.957 1.00 0.00 O ATOM 408 CB GLU A 25 17.344 -0.926 -8.049 1.00 0.00 C ATOM 409 CG GLU A 25 17.386 -2.130 -7.118 1.00 0.00 C ATOM 410 CD GLU A 25 18.708 -2.871 -7.176 1.00 0.00 C ATOM 411 OE1 GLU A 25 18.834 -3.796 -8.006 1.00 0.00 O ATOM 412 OE2 GLU A 25 19.616 -2.528 -6.391 1.00 0.00 O ATOM 0 H GLU A 25 14.307 -0.933 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 25 15.473 -0.456 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.536 -1.261 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 25 18.150 -0.244 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.204 -1.799 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.579 -2.814 -7.380 1.00 0.00 H new ATOM 419 N MET A 26 16.294 1.826 -6.707 1.00 0.00 N ATOM 420 CA MET A 26 16.512 3.246 -6.397 1.00 0.00 C ATOM 421 C MET A 26 15.871 3.611 -5.050 1.00 0.00 C ATOM 422 O MET A 26 16.525 4.216 -4.200 1.00 0.00 O ATOM 423 CB MET A 26 15.949 4.172 -7.495 1.00 0.00 C ATOM 424 CG MET A 26 17.017 4.776 -8.398 1.00 0.00 C ATOM 425 SD MET A 26 16.324 5.748 -9.751 1.00 0.00 S ATOM 426 CE MET A 26 15.963 4.462 -10.946 1.00 0.00 C ATOM 0 H MET A 26 16.156 1.248 -5.878 1.00 0.00 H new ATOM 0 HA MET A 26 17.591 3.395 -6.344 1.00 0.00 H new ATOM 0 HB2 MET A 26 15.246 3.608 -8.107 1.00 0.00 H new ATOM 0 HB3 MET A 26 15.386 4.978 -7.024 1.00 0.00 H new ATOM 0 HG2 MET A 26 17.674 5.409 -7.802 1.00 0.00 H new ATOM 0 HG3 MET A 26 17.632 3.976 -8.810 1.00 0.00 H new ATOM 0 HE1 MET A 26 15.528 4.908 -11.840 1.00 0.00 H new ATOM 0 HE2 MET A 26 16.884 3.943 -11.211 1.00 0.00 H new ATOM 0 HE3 MET A 26 15.257 3.752 -10.515 1.00 0.00 H new ATOM 436 N PRO A 27 14.570 3.263 -4.845 1.00 0.00 N ATOM 437 CA PRO A 27 13.818 3.560 -3.618 1.00 0.00 C ATOM 438 C PRO A 27 14.660 3.668 -2.340 1.00 0.00 C ATOM 439 O PRO A 27 14.445 4.576 -1.539 1.00 0.00 O ATOM 440 CB PRO A 27 12.874 2.370 -3.541 1.00 0.00 C ATOM 441 CG PRO A 27 12.529 2.083 -4.966 1.00 0.00 C ATOM 442 CD PRO A 27 13.691 2.564 -5.813 1.00 0.00 C ATOM 0 HA PRO A 27 13.346 4.541 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.352 1.513 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 27 11.985 2.604 -2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 27 12.360 1.016 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 27 11.609 2.594 -5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.207 1.733 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.358 3.233 -6.606 1.00 0.00 H new ATOM 450 N ASP A 28 15.608 2.747 -2.141 1.00 0.00 N ATOM 451 CA ASP A 28 16.453 2.776 -0.940 1.00 0.00 C ATOM 452 C ASP A 28 17.104 4.148 -0.769 1.00 0.00 C ATOM 453 O ASP A 28 16.958 4.786 0.274 1.00 0.00 O ATOM 454 CB ASP A 28 17.525 1.680 -0.999 1.00 0.00 C ATOM 455 CG ASP A 28 16.940 0.284 -0.900 1.00 0.00 C ATOM 456 OD1 ASP A 28 16.921 -0.274 0.218 1.00 0.00 O ATOM 457 OD2 ASP A 28 16.500 -0.251 -1.939 1.00 0.00 O ATOM 0 H ASP A 28 15.809 1.982 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 28 15.816 2.586 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.081 1.771 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.237 1.830 -0.187 1.00 0.00 H new ATOM 462 N SER A 29 17.792 4.608 -1.814 1.00 0.00 N ATOM 463 CA SER A 29 18.433 5.920 -1.800 1.00 0.00 C ATOM 464 C SER A 29 17.580 6.913 -2.593 1.00 0.00 C ATOM 465 O SER A 29 18.102 7.767 -3.313 1.00 0.00 O ATOM 466 CB SER A 29 19.845 5.833 -2.391 1.00 0.00 C ATOM 467 OG SER A 29 19.815 5.342 -3.721 1.00 0.00 O ATOM 0 H SER A 29 17.919 4.089 -2.683 1.00 0.00 H new ATOM 0 HA SER A 29 18.518 6.266 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.310 6.819 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.461 5.180 -1.773 1.00 0.00 H new ATOM 0 HG SER A 29 20.728 5.298 -4.074 1.00 0.00 H new ATOM 473 N ASP A 30 16.254 6.777 -2.457 1.00 0.00 N ATOM 474 CA ASP A 30 15.318 7.643 -3.165 1.00 0.00 C ATOM 475 C ASP A 30 14.012 7.880 -2.398 1.00 0.00 C ATOM 476 O ASP A 30 13.282 8.809 -2.734 1.00 0.00 O ATOM 477 CB ASP A 30 15.013 7.070 -4.552 1.00 0.00 C ATOM 478 CG ASP A 30 16.132 7.329 -5.545 1.00 0.00 C ATOM 479 OD1 ASP A 30 16.088 8.372 -6.232 1.00 0.00 O ATOM 480 OD2 ASP A 30 17.054 6.491 -5.634 1.00 0.00 O ATOM 0 H ASP A 30 15.812 6.075 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 30 15.806 8.613 -3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.846 5.996 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.089 7.509 -4.928 1.00 0.00 H new ATOM 485 N ALA A 31 13.693 7.057 -1.383 1.00 0.00 N ATOM 486 CA ALA A 31 12.452 7.249 -0.628 1.00 0.00 C ATOM 487 C ALA A 31 12.300 8.695 -0.143 1.00 0.00 C ATOM 488 O ALA A 31 11.184 9.189 0.011 1.00 0.00 O ATOM 489 CB ALA A 31 12.380 6.289 0.540 1.00 0.00 C ATOM 0 H ALA A 31 14.266 6.271 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 31 11.624 7.038 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.450 6.450 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.412 5.264 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.226 6.461 1.205 1.00 0.00 H new ATOM 495 N VAL A 32 13.429 9.378 0.067 1.00 0.00 N ATOM 496 CA VAL A 32 13.416 10.772 0.500 1.00 0.00 C ATOM 497 C VAL A 32 13.084 11.688 -0.672 1.00 0.00 C ATOM 498 O VAL A 32 12.593 12.802 -0.485 1.00 0.00 O ATOM 499 CB VAL A 32 14.769 11.182 1.130 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.870 11.249 0.076 1.00 0.00 C ATOM 501 CG2 VAL A 32 14.646 12.508 1.877 1.00 0.00 C ATOM 0 H VAL A 32 14.362 8.985 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 32 12.645 10.875 1.263 1.00 0.00 H new ATOM 0 HB VAL A 32 15.046 10.414 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.809 11.539 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.986 10.271 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.603 11.984 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.611 12.773 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.333 13.289 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.906 12.411 2.672 1.00 0.00 H new ATOM 511 N LYS A 33 13.307 11.182 -1.885 1.00 0.00 N ATOM 512 CA LYS A 33 12.984 11.912 -3.100 1.00 0.00 C ATOM 513 C LYS A 33 11.565 11.547 -3.533 1.00 0.00 C ATOM 514 O LYS A 33 10.916 12.291 -4.266 1.00 0.00 O ATOM 515 CB LYS A 33 13.985 11.581 -4.217 1.00 0.00 C ATOM 516 CG LYS A 33 15.436 11.877 -3.856 1.00 0.00 C ATOM 517 CD LYS A 33 15.745 13.367 -3.929 1.00 0.00 C ATOM 518 CE LYS A 33 17.204 13.655 -3.601 1.00 0.00 C ATOM 519 NZ LYS A 33 17.514 15.111 -3.667 1.00 0.00 N ATOM 0 H LYS A 33 13.714 10.261 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 33 13.045 12.983 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.893 10.525 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.720 12.149 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.642 11.512 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.097 11.335 -4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.516 13.738 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.102 13.907 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.432 13.281 -2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.846 13.116 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.517 15.263 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.321 15.464 -4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.921 15.624 -2.984 1.00 0.00 H new ATOM 533 N PHE A 34 11.088 10.391 -3.042 1.00 0.00 N ATOM 534 CA PHE A 34 9.741 9.899 -3.337 1.00 0.00 C ATOM 535 C PHE A 34 8.669 10.831 -2.765 1.00 0.00 C ATOM 536 O PHE A 34 7.483 10.612 -2.987 1.00 0.00 O ATOM 537 CB PHE A 34 9.551 8.481 -2.764 1.00 0.00 C ATOM 538 CG PHE A 34 9.703 7.399 -3.781 1.00 0.00 C ATOM 539 CD1 PHE A 34 8.634 6.579 -4.069 1.00 0.00 C ATOM 540 CD2 PHE A 34 10.886 7.222 -4.475 1.00 0.00 C ATOM 541 CE1 PHE A 34 8.726 5.602 -5.030 1.00 0.00 C ATOM 542 CE2 PHE A 34 10.990 6.239 -5.433 1.00 0.00 C ATOM 543 CZ PHE A 34 9.907 5.428 -5.717 1.00 0.00 C ATOM 0 H PHE A 34 11.627 9.776 -2.432 1.00 0.00 H new ATOM 0 HA PHE A 34 9.630 9.871 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.275 8.321 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.560 8.409 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.707 6.707 -3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.733 7.858 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.875 4.973 -5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.920 6.101 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.987 4.662 -6.474 1.00 0.00 H new ATOM 553 N GLU A 35 9.081 11.868 -2.024 1.00 0.00 N ATOM 554 CA GLU A 35 8.126 12.807 -1.439 1.00 0.00 C ATOM 555 C GLU A 35 7.959 14.077 -2.295 1.00 0.00 C ATOM 556 O GLU A 35 6.958 14.780 -2.160 1.00 0.00 O ATOM 557 CB GLU A 35 8.565 13.191 -0.017 1.00 0.00 C ATOM 558 CG GLU A 35 7.518 12.897 1.049 1.00 0.00 C ATOM 559 CD GLU A 35 6.383 13.904 1.054 1.00 0.00 C ATOM 560 OE1 GLU A 35 5.385 13.678 0.335 1.00 0.00 O ATOM 561 OE2 GLU A 35 6.490 14.917 1.776 1.00 0.00 O ATOM 0 H GLU A 35 10.059 12.073 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 35 7.159 12.305 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.481 12.653 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.804 14.254 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.111 11.899 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.996 12.891 2.029 1.00 0.00 H new ATOM 568 N HIS A 36 8.937 14.376 -3.164 1.00 0.00 N ATOM 569 CA HIS A 36 8.868 15.576 -4.017 1.00 0.00 C ATOM 570 C HIS A 36 8.048 15.321 -5.283 1.00 0.00 C ATOM 571 O HIS A 36 7.034 15.982 -5.516 1.00 0.00 O ATOM 572 CB HIS A 36 10.270 16.057 -4.418 1.00 0.00 C ATOM 573 CG HIS A 36 11.299 15.934 -3.344 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.392 15.148 -3.273 1.00 0.00 N flip ATOM 575 CD2 HIS A 36 11.282 16.675 -2.181 1.00 0.00 C flip ATOM 576 CE1 HIS A 36 13.016 15.423 -2.081 1.00 0.00 C flip ATOM 577 NE2 HIS A 36 12.326 16.349 -1.440 1.00 0.00 N flip ATOM 0 H HIS A 36 9.776 13.812 -3.295 1.00 0.00 H new ATOM 0 HA HIS A 36 8.377 16.349 -3.426 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.601 15.488 -5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.208 17.101 -4.726 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.533 17.407 -1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.923 14.958 -1.725 1.00 0.00 H new ATOM 0 HE2 HIS A 36 12.559 16.745 -0.529 1.00 0.00 H new ATOM 586 N HIS A 37 8.498 14.362 -6.098 1.00 0.00 N ATOM 587 CA HIS A 37 7.811 14.014 -7.351 1.00 0.00 C ATOM 588 C HIS A 37 6.376 13.575 -7.082 1.00 0.00 C ATOM 589 O HIS A 37 5.507 13.684 -7.946 1.00 0.00 O ATOM 590 CB HIS A 37 8.546 12.883 -8.083 1.00 0.00 C ATOM 591 CG HIS A 37 10.015 12.995 -8.012 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.890 12.416 -7.168 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.745 13.787 -8.854 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 12.136 12.866 -7.513 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 12.013 13.694 -8.536 1.00 0.00 N flip ATOM 0 H HIS A 37 9.336 13.811 -5.914 1.00 0.00 H new ATOM 0 HA HIS A 37 7.806 14.907 -7.976 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.241 11.927 -7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.240 12.878 -9.129 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.667 11.766 -6.415 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.342 14.392 -9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.063 12.591 -7.031 1.00 0.00 H new ATOM 604 N PHE A 38 6.155 13.054 -5.879 1.00 0.00 N ATOM 605 CA PHE A 38 4.851 12.556 -5.464 1.00 0.00 C ATOM 606 C PHE A 38 3.939 13.682 -4.963 1.00 0.00 C ATOM 607 O PHE A 38 2.714 13.566 -5.025 1.00 0.00 O ATOM 608 CB PHE A 38 5.056 11.494 -4.379 1.00 0.00 C ATOM 609 CG PHE A 38 5.602 10.179 -4.898 1.00 0.00 C ATOM 610 CD1 PHE A 38 5.434 9.015 -4.161 1.00 0.00 C ATOM 611 CD2 PHE A 38 6.277 10.097 -6.122 1.00 0.00 C ATOM 612 CE1 PHE A 38 5.909 7.809 -4.625 1.00 0.00 C ATOM 613 CE2 PHE A 38 6.754 8.890 -6.583 1.00 0.00 C ATOM 614 CZ PHE A 38 6.566 7.746 -5.840 1.00 0.00 C ATOM 0 H PHE A 38 6.877 12.966 -5.164 1.00 0.00 H new ATOM 0 HA PHE A 38 4.351 12.115 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.738 11.887 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.104 11.309 -3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.923 9.056 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.425 10.990 -6.711 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.768 6.912 -4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.276 8.841 -7.527 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.932 6.798 -6.207 1.00 0.00 H new ATOM 624 N GLU A 39 4.539 14.771 -4.473 1.00 0.00 N ATOM 625 CA GLU A 39 3.775 15.914 -3.968 1.00 0.00 C ATOM 626 C GLU A 39 3.468 16.921 -5.082 1.00 0.00 C ATOM 627 O GLU A 39 2.469 17.639 -5.013 1.00 0.00 O ATOM 628 CB GLU A 39 4.543 16.606 -2.835 1.00 0.00 C ATOM 629 CG GLU A 39 3.709 17.606 -2.047 1.00 0.00 C ATOM 630 CD GLU A 39 4.463 18.205 -0.874 1.00 0.00 C ATOM 631 OE1 GLU A 39 5.120 19.250 -1.063 1.00 0.00 O ATOM 632 OE2 GLU A 39 4.395 17.627 0.232 1.00 0.00 O ATOM 0 H GLU A 39 5.551 14.884 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 39 2.827 15.536 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.925 15.847 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.407 17.120 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.386 18.407 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.809 17.113 -1.681 1.00 0.00 H new ATOM 639 N GLU A 40 4.330 16.975 -6.105 1.00 0.00 N ATOM 640 CA GLU A 40 4.142 17.903 -7.224 1.00 0.00 C ATOM 641 C GLU A 40 2.782 17.701 -7.903 1.00 0.00 C ATOM 642 O GLU A 40 2.173 18.662 -8.379 1.00 0.00 O ATOM 643 CB GLU A 40 5.280 17.763 -8.249 1.00 0.00 C ATOM 644 CG GLU A 40 5.304 16.435 -8.997 1.00 0.00 C ATOM 645 CD GLU A 40 5.067 16.596 -10.489 1.00 0.00 C ATOM 646 OE1 GLU A 40 3.919 16.893 -10.879 1.00 0.00 O ATOM 647 OE2 GLU A 40 6.031 16.425 -11.264 1.00 0.00 O ATOM 0 H GLU A 40 5.161 16.389 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 40 4.164 18.913 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.198 18.572 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.232 17.892 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.267 15.950 -8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.542 15.775 -8.582 1.00 0.00 H new ATOM 654 N SER A 41 2.305 16.452 -7.935 1.00 0.00 N ATOM 655 CA SER A 41 1.013 16.137 -8.543 1.00 0.00 C ATOM 656 C SER A 41 0.127 15.355 -7.579 1.00 0.00 C ATOM 657 O SER A 41 -0.276 14.226 -7.867 1.00 0.00 O ATOM 658 CB SER A 41 1.191 15.348 -9.843 1.00 0.00 C ATOM 659 OG SER A 41 0.611 16.034 -10.940 1.00 0.00 O ATOM 0 H SER A 41 2.795 15.646 -7.547 1.00 0.00 H new ATOM 0 HA SER A 41 0.525 17.084 -8.775 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.252 15.186 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.732 14.365 -9.741 1.00 0.00 H new ATOM 0 HG SER A 41 0.154 15.392 -11.522 1.00 0.00 H new ATOM 665 N SER A 42 -0.197 15.965 -6.441 1.00 0.00 N ATOM 666 CA SER A 42 -1.064 15.323 -5.457 1.00 0.00 C ATOM 667 C SER A 42 -2.387 14.903 -6.112 1.00 0.00 C ATOM 668 O SER A 42 -2.874 13.797 -5.877 1.00 0.00 O ATOM 669 CB SER A 42 -1.331 16.263 -4.275 1.00 0.00 C ATOM 670 OG SER A 42 -1.659 15.534 -3.106 1.00 0.00 O ATOM 0 H SER A 42 0.125 16.897 -6.179 1.00 0.00 H new ATOM 0 HA SER A 42 -0.559 14.434 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.450 16.877 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.146 16.942 -4.524 1.00 0.00 H new ATOM 0 HG SER A 42 -1.823 16.157 -2.367 1.00 0.00 H new ATOM 676 N PRO A 43 -2.989 15.788 -6.951 1.00 0.00 N ATOM 677 CA PRO A 43 -4.259 15.507 -7.646 1.00 0.00 C ATOM 678 C PRO A 43 -4.218 14.278 -8.557 1.00 0.00 C ATOM 679 O PRO A 43 -5.272 13.786 -8.957 1.00 0.00 O ATOM 680 CB PRO A 43 -4.504 16.772 -8.477 1.00 0.00 C ATOM 681 CG PRO A 43 -3.724 17.828 -7.785 1.00 0.00 C ATOM 682 CD PRO A 43 -2.490 17.139 -7.290 1.00 0.00 C ATOM 0 HA PRO A 43 -5.045 15.278 -6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.170 16.642 -9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.564 17.022 -8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.475 18.643 -8.464 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.291 18.261 -6.961 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.712 17.104 -8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.064 17.643 -6.423 1.00 0.00 H new ATOM 690 N CYS A 44 -3.022 13.752 -8.856 1.00 0.00 N ATOM 691 CA CYS A 44 -2.911 12.552 -9.683 1.00 0.00 C ATOM 692 C CYS A 44 -3.211 11.333 -8.832 1.00 0.00 C ATOM 693 O CYS A 44 -3.909 10.411 -9.260 1.00 0.00 O ATOM 694 CB CYS A 44 -1.509 12.426 -10.294 1.00 0.00 C ATOM 695 SG CYS A 44 -1.032 10.719 -10.744 1.00 0.00 S ATOM 0 H CYS A 44 -2.131 14.136 -8.540 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.629 12.625 -10.500 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.457 13.052 -11.185 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.780 12.819 -9.585 1.00 0.00 H new ATOM 700 N LEU A 45 -2.689 11.351 -7.612 1.00 0.00 N ATOM 701 CA LEU A 45 -2.908 10.256 -6.678 1.00 0.00 C ATOM 702 C LEU A 45 -4.296 10.344 -6.030 1.00 0.00 C ATOM 703 O LEU A 45 -4.675 9.455 -5.267 1.00 0.00 O ATOM 704 CB LEU A 45 -1.825 10.199 -5.589 1.00 0.00 C ATOM 705 CG LEU A 45 -0.405 10.565 -6.006 1.00 0.00 C ATOM 706 CD1 LEU A 45 0.552 10.422 -4.831 1.00 0.00 C ATOM 707 CD2 LEU A 45 0.055 9.704 -7.176 1.00 0.00 C ATOM 0 H LEU A 45 -2.113 12.110 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.849 9.337 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.123 10.866 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.808 9.189 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.404 11.606 -6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.560 10.688 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.239 11.085 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.543 9.391 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.071 9.983 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.034 8.654 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.611 9.858 -8.025 1.00 0.00 H new ATOM 719 N GLU A 46 -5.071 11.403 -6.338 1.00 0.00 N ATOM 720 CA GLU A 46 -6.418 11.553 -5.779 1.00 0.00 C ATOM 721 C GLU A 46 -7.479 11.193 -6.825 1.00 0.00 C ATOM 722 O GLU A 46 -8.679 11.377 -6.611 1.00 0.00 O ATOM 723 CB GLU A 46 -6.625 12.979 -5.277 1.00 0.00 C ATOM 724 CG GLU A 46 -5.496 13.458 -4.383 1.00 0.00 C ATOM 725 CD GLU A 46 -5.988 14.079 -3.089 1.00 0.00 C ATOM 726 OE1 GLU A 46 -6.066 15.323 -3.018 1.00 0.00 O ATOM 727 OE2 GLU A 46 -6.295 13.320 -2.145 1.00 0.00 O ATOM 0 H GLU A 46 -4.786 12.156 -6.964 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.522 10.869 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.716 13.650 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.565 13.033 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.842 12.617 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.896 14.189 -4.925 1.00 0.00 H new ATOM 734 N LYS A 47 -7.008 10.599 -7.917 1.00 0.00 N ATOM 735 CA LYS A 47 -7.892 10.107 -8.979 1.00 0.00 C ATOM 736 C LYS A 47 -8.295 8.676 -8.654 1.00 0.00 C ATOM 737 O LYS A 47 -9.478 8.332 -8.626 1.00 0.00 O ATOM 738 CB LYS A 47 -7.234 10.129 -10.366 1.00 0.00 C ATOM 739 CG LYS A 47 -7.254 11.486 -11.042 1.00 0.00 C ATOM 740 CD LYS A 47 -5.850 11.997 -11.263 1.00 0.00 C ATOM 741 CE LYS A 47 -5.834 13.293 -12.062 1.00 0.00 C ATOM 742 NZ LYS A 47 -5.837 13.044 -13.532 1.00 0.00 N ATOM 0 H LYS A 47 -6.015 10.444 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.755 10.772 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.200 9.798 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.741 9.408 -11.008 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.774 11.414 -11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.811 12.194 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.367 12.159 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.267 11.240 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.703 13.894 -11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.951 13.873 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.826 13.953 -14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.995 12.492 -13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.693 12.513 -13.792 1.00 0.00 H new ATOM 756 N TYR A 48 -7.276 7.853 -8.420 1.00 0.00 N ATOM 757 CA TYR A 48 -7.457 6.442 -8.102 1.00 0.00 C ATOM 758 C TYR A 48 -7.305 6.185 -6.600 1.00 0.00 C ATOM 759 O TYR A 48 -7.827 5.197 -6.082 1.00 0.00 O ATOM 760 CB TYR A 48 -6.443 5.610 -8.896 1.00 0.00 C ATOM 761 CG TYR A 48 -6.384 5.990 -10.364 1.00 0.00 C ATOM 762 CD1 TYR A 48 -5.517 6.983 -10.810 1.00 0.00 C ATOM 763 CD2 TYR A 48 -7.207 5.373 -11.300 1.00 0.00 C ATOM 764 CE1 TYR A 48 -5.473 7.350 -12.140 1.00 0.00 C ATOM 765 CE2 TYR A 48 -7.166 5.732 -12.633 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.299 6.721 -13.049 1.00 0.00 C ATOM 767 OH TYR A 48 -6.257 7.083 -14.376 1.00 0.00 O ATOM 0 H TYR A 48 -6.300 8.148 -8.446 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.468 6.148 -8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.454 5.734 -8.454 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.701 4.554 -8.810 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.867 7.476 -10.102 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.890 4.600 -10.979 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.796 8.125 -12.467 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.810 5.240 -13.347 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.900 6.544 -14.883 1.00 0.00 H new ATOM 777 N GLY A 49 -6.587 7.076 -5.904 1.00 0.00 N ATOM 778 CA GLY A 49 -6.380 6.919 -4.480 1.00 0.00 C ATOM 779 C GLY A 49 -5.013 6.355 -4.161 1.00 0.00 C ATOM 780 O GLY A 49 -4.886 5.445 -3.341 1.00 0.00 O ATOM 0 H GLY A 49 -6.148 7.902 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.496 7.885 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.147 6.260 -4.073 1.00 0.00 H new ATOM 784 N LEU A 50 -3.988 6.897 -4.821 1.00 0.00 N ATOM 785 CA LEU A 50 -2.618 6.440 -4.616 1.00 0.00 C ATOM 786 C LEU A 50 -1.906 7.250 -3.533 1.00 0.00 C ATOM 787 O LEU A 50 -0.934 6.768 -2.958 1.00 0.00 O ATOM 788 CB LEU A 50 -1.817 6.507 -5.924 1.00 0.00 C ATOM 789 CG LEU A 50 -2.235 5.510 -7.020 1.00 0.00 C ATOM 790 CD1 LEU A 50 -1.303 5.627 -8.223 1.00 0.00 C ATOM 791 CD2 LEU A 50 -2.260 4.074 -6.491 1.00 0.00 C ATOM 0 H LEU A 50 -4.083 7.652 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.675 5.403 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.900 7.516 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.765 6.342 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.248 5.760 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.609 4.917 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.352 6.639 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.281 5.409 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.559 3.397 -7.291 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.267 3.800 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.972 4.001 -5.669 1.00 0.00 H new ATOM 803 N GLU A 51 -2.378 8.476 -3.247 1.00 0.00 N ATOM 804 CA GLU A 51 -1.738 9.303 -2.214 1.00 0.00 C ATOM 805 C GLU A 51 -1.492 8.455 -0.964 1.00 0.00 C ATOM 806 O GLU A 51 -0.357 8.252 -0.539 1.00 0.00 O ATOM 807 CB GLU A 51 -2.629 10.502 -1.847 1.00 0.00 C ATOM 808 CG GLU A 51 -2.286 11.781 -2.593 1.00 0.00 C ATOM 809 CD GLU A 51 -2.348 13.012 -1.708 1.00 0.00 C ATOM 810 OE1 GLU A 51 -1.280 13.465 -1.245 1.00 0.00 O ATOM 811 OE2 GLU A 51 -3.464 13.523 -1.477 1.00 0.00 O ATOM 0 H GLU A 51 -3.181 8.907 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.792 9.677 -2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.669 10.244 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.549 10.686 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.285 11.693 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.975 11.905 -3.429 1.00 0.00 H new ATOM 818 N GLN A 52 -2.597 7.955 -0.417 1.00 0.00 N ATOM 819 CA GLN A 52 -2.586 7.102 0.771 1.00 0.00 C ATOM 820 C GLN A 52 -1.571 5.957 0.630 1.00 0.00 C ATOM 821 O GLN A 52 -0.953 5.550 1.611 1.00 0.00 O ATOM 822 CB GLN A 52 -3.994 6.540 1.021 1.00 0.00 C ATOM 823 CG GLN A 52 -4.056 5.461 2.097 1.00 0.00 C ATOM 824 CD GLN A 52 -5.057 5.779 3.195 1.00 0.00 C ATOM 825 OE1 GLN A 52 -4.701 6.344 4.229 1.00 0.00 O ATOM 826 NE2 GLN A 52 -6.318 5.417 2.976 1.00 0.00 N ATOM 0 H GLN A 52 -3.531 8.131 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.283 7.709 1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.654 7.359 1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.380 6.129 0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.320 4.509 1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.067 5.338 2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.571 4.951 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.032 5.606 3.679 1.00 0.00 H new ATOM 835 N ALA A 53 -1.414 5.439 -0.591 1.00 0.00 N ATOM 836 CA ALA A 53 -0.484 4.338 -0.850 1.00 0.00 C ATOM 837 C ALA A 53 0.975 4.807 -0.917 1.00 0.00 C ATOM 838 O ALA A 53 1.832 4.265 -0.221 1.00 0.00 O ATOM 839 CB ALA A 53 -0.861 3.613 -2.136 1.00 0.00 C ATOM 0 H ALA A 53 -1.919 5.765 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.565 3.650 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.159 2.798 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.870 3.210 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.824 4.312 -2.972 1.00 0.00 H new ATOM 845 N VAL A 54 1.257 5.797 -1.770 1.00 0.00 N ATOM 846 CA VAL A 54 2.626 6.307 -1.928 1.00 0.00 C ATOM 847 C VAL A 54 3.198 6.826 -0.606 1.00 0.00 C ATOM 848 O VAL A 54 4.397 6.693 -0.363 1.00 0.00 O ATOM 849 CB VAL A 54 2.740 7.396 -3.023 1.00 0.00 C ATOM 850 CG1 VAL A 54 1.944 7.009 -4.265 1.00 0.00 C ATOM 851 CG2 VAL A 54 2.306 8.766 -2.507 1.00 0.00 C ATOM 0 H VAL A 54 0.563 6.259 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 54 3.221 5.453 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 54 3.792 7.467 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.041 7.791 -5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.327 6.070 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.893 6.888 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.401 9.502 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.268 8.719 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.939 9.056 -1.669 1.00 0.00 H new ATOM 861 N LYS A 55 2.343 7.382 0.268 1.00 0.00 N ATOM 862 CA LYS A 55 2.808 7.858 1.579 1.00 0.00 C ATOM 863 C LYS A 55 3.553 6.721 2.277 1.00 0.00 C ATOM 864 O LYS A 55 4.566 6.926 2.949 1.00 0.00 O ATOM 865 CB LYS A 55 1.627 8.296 2.465 1.00 0.00 C ATOM 866 CG LYS A 55 0.740 9.402 1.898 1.00 0.00 C ATOM 867 CD LYS A 55 1.459 10.275 0.872 1.00 0.00 C ATOM 868 CE LYS A 55 0.653 11.520 0.533 1.00 0.00 C ATOM 869 NZ LYS A 55 1.378 12.412 -0.416 1.00 0.00 N ATOM 0 H LYS A 55 1.346 7.511 0.095 1.00 0.00 H new ATOM 0 HA LYS A 55 3.461 8.717 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.004 7.424 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.022 8.630 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.138 8.954 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.384 10.029 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.434 10.567 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.638 9.698 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.302 11.226 0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.430 12.068 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.693 13.002 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.033 13.022 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.915 11.834 -1.094 1.00 0.00 H new ATOM 883 N LYS A 56 3.013 5.517 2.088 1.00 0.00 N ATOM 884 CA LYS A 56 3.576 4.304 2.664 1.00 0.00 C ATOM 885 C LYS A 56 4.894 3.970 1.975 1.00 0.00 C ATOM 886 O LYS A 56 5.843 3.528 2.618 1.00 0.00 O ATOM 887 CB LYS A 56 2.596 3.127 2.576 1.00 0.00 C ATOM 888 CG LYS A 56 1.543 3.135 3.681 1.00 0.00 C ATOM 889 CD LYS A 56 0.683 4.390 3.616 1.00 0.00 C ATOM 890 CE LYS A 56 0.885 5.305 4.815 1.00 0.00 C ATOM 891 NZ LYS A 56 0.010 4.929 5.961 1.00 0.00 N ATOM 0 H LYS A 56 2.173 5.359 1.531 1.00 0.00 H new ATOM 0 HA LYS A 56 3.764 4.483 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.097 3.151 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.156 2.193 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.910 2.252 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.032 3.077 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.916 4.938 2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.367 4.103 3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.928 5.266 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.678 6.335 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.180 5.578 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.987 4.991 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.225 3.956 6.257 1.00 0.00 H new ATOM 905 N LEU A 57 4.950 4.202 0.659 1.00 0.00 N ATOM 906 CA LEU A 57 6.151 3.955 -0.132 1.00 0.00 C ATOM 907 C LEU A 57 7.314 4.811 0.356 1.00 0.00 C ATOM 908 O LEU A 57 8.435 4.322 0.511 1.00 0.00 O ATOM 909 CB LEU A 57 5.842 4.268 -1.601 1.00 0.00 C ATOM 910 CG LEU A 57 6.924 3.951 -2.641 1.00 0.00 C ATOM 911 CD1 LEU A 57 8.169 3.306 -2.046 1.00 0.00 C ATOM 912 CD2 LEU A 57 6.347 3.080 -3.733 1.00 0.00 C ATOM 0 H LEU A 57 4.165 4.565 0.118 1.00 0.00 H new ATOM 0 HA LEU A 57 6.443 2.910 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.941 3.721 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.606 5.330 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 57 7.248 4.905 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.891 3.110 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.611 3.978 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.897 2.368 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.120 2.858 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.980 2.149 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.524 3.603 -4.219 1.00 0.00 H new ATOM 924 N VAL A 58 7.040 6.089 0.604 1.00 0.00 N ATOM 925 CA VAL A 58 8.076 7.012 1.078 1.00 0.00 C ATOM 926 C VAL A 58 8.732 6.489 2.361 1.00 0.00 C ATOM 927 O VAL A 58 9.906 6.746 2.632 1.00 0.00 O ATOM 928 CB VAL A 58 7.508 8.424 1.365 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.623 9.460 1.444 1.00 0.00 C ATOM 930 CG2 VAL A 58 6.473 8.824 0.325 1.00 0.00 C ATOM 0 H VAL A 58 6.118 6.510 0.487 1.00 0.00 H new ATOM 0 HA VAL A 58 8.814 7.079 0.279 1.00 0.00 H new ATOM 0 HB VAL A 58 7.012 8.387 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.194 10.441 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.312 9.193 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.162 9.488 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.093 9.820 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.933 8.830 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.650 8.110 0.338 1.00 0.00 H new ATOM 940 N LYS A 59 7.935 5.767 3.142 1.00 0.00 N ATOM 941 CA LYS A 59 8.342 5.189 4.411 1.00 0.00 C ATOM 942 C LYS A 59 9.616 4.354 4.303 1.00 0.00 C ATOM 943 O LYS A 59 10.462 4.382 5.198 1.00 0.00 O ATOM 944 CB LYS A 59 7.203 4.307 4.899 1.00 0.00 C ATOM 945 CG LYS A 59 7.254 3.941 6.361 1.00 0.00 C ATOM 946 CD LYS A 59 5.856 3.626 6.861 1.00 0.00 C ATOM 947 CE LYS A 59 5.459 2.179 6.578 1.00 0.00 C ATOM 948 NZ LYS A 59 6.247 1.210 7.391 1.00 0.00 N ATOM 0 H LYS A 59 6.965 5.565 2.901 1.00 0.00 H new ATOM 0 HA LYS A 59 8.559 6.001 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.260 4.817 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.198 3.389 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.905 3.079 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.679 4.763 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.804 3.813 7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.141 4.298 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.397 2.048 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.604 1.965 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.751 0.297 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.186 1.081 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.355 1.576 8.359 1.00 0.00 H new ATOM 962 N ARG A 60 9.725 3.591 3.213 1.00 0.00 N ATOM 963 CA ARG A 60 10.878 2.709 2.979 1.00 0.00 C ATOM 964 C ARG A 60 12.177 3.321 3.502 1.00 0.00 C ATOM 965 O ARG A 60 12.758 2.825 4.468 1.00 0.00 O ATOM 966 CB ARG A 60 11.028 2.400 1.487 1.00 0.00 C ATOM 967 CG ARG A 60 9.962 1.469 0.918 1.00 0.00 C ATOM 968 CD ARG A 60 10.201 1.205 -0.563 1.00 0.00 C ATOM 969 NE ARG A 60 9.060 0.556 -1.204 1.00 0.00 N ATOM 970 CZ ARG A 60 9.038 0.181 -2.485 1.00 0.00 C ATOM 971 NH1 ARG A 60 10.106 0.350 -3.258 1.00 0.00 N ATOM 972 NH2 ARG A 60 7.933 -0.336 -3.002 1.00 0.00 N ATOM 0 H ARG A 60 9.025 3.564 2.472 1.00 0.00 H new ATOM 0 HA ARG A 60 10.689 1.786 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.006 3.338 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.008 1.953 1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.968 0.526 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.976 1.912 1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.410 2.148 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.085 0.578 -0.680 1.00 0.00 H new ATOM 0 HE ARG A 60 8.230 0.379 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.953 0.770 -2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.079 0.060 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.102 -0.447 -2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.914 -0.623 -3.981 1.00 0.00 H new ATOM 986 N ALA A 61 12.621 4.402 2.856 1.00 0.00 N ATOM 987 CA ALA A 61 13.856 5.094 3.245 1.00 0.00 C ATOM 988 C ALA A 61 15.035 4.123 3.402 1.00 0.00 C ATOM 989 O ALA A 61 14.940 2.955 3.024 1.00 0.00 O ATOM 990 CB ALA A 61 13.629 5.888 4.529 1.00 0.00 C ATOM 0 H ALA A 61 12.143 4.820 2.058 1.00 0.00 H new ATOM 0 HA ALA A 61 14.118 5.784 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.551 6.398 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.842 6.624 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.332 5.209 5.329 1.00 0.00 H new ATOM 996 N ALA A 62 16.146 4.616 3.958 1.00 0.00 N ATOM 997 CA ALA A 62 17.335 3.798 4.163 1.00 0.00 C ATOM 998 C ALA A 62 17.478 3.392 5.630 1.00 0.00 C ATOM 999 O ALA A 62 17.650 4.246 6.503 1.00 0.00 O ATOM 1000 CB ALA A 62 18.578 4.545 3.693 1.00 0.00 C ATOM 0 H ALA A 62 16.242 5.581 4.273 1.00 0.00 H new ATOM 0 HA ALA A 62 17.227 2.889 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 62 19.458 3.922 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 62 18.484 4.776 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 62 18.682 5.471 4.259 1.00 0.00 H new ATOM 1006 N GLY A 63 17.404 2.085 5.894 1.00 0.00 N ATOM 1007 CA GLY A 63 17.525 1.585 7.258 1.00 0.00 C ATOM 1008 C GLY A 63 16.233 0.974 7.778 1.00 0.00 C ATOM 1009 O GLY A 63 16.267 0.021 8.560 1.00 0.00 O ATOM 0 H GLY A 63 17.262 1.364 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.317 0.837 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.825 2.402 7.914 1.00 0.00 H new ATOM 1013 N GLN A 64 15.094 1.522 7.348 1.00 0.00 N ATOM 1014 CA GLN A 64 13.783 1.028 7.776 1.00 0.00 C ATOM 1015 C GLN A 64 13.428 -0.278 7.057 1.00 0.00 C ATOM 1016 O GLN A 64 14.320 -1.050 6.701 1.00 0.00 O ATOM 1017 CB GLN A 64 12.715 2.112 7.540 1.00 0.00 C ATOM 1018 CG GLN A 64 11.765 2.301 8.715 1.00 0.00 C ATOM 1019 CD GLN A 64 10.816 3.471 8.522 1.00 0.00 C ATOM 1020 OE1 GLN A 64 9.631 3.283 8.249 1.00 0.00 O ATOM 1021 NE2 GLN A 64 11.333 4.688 8.665 1.00 0.00 N ATOM 0 H GLN A 64 15.053 2.310 6.702 1.00 0.00 H new ATOM 0 HA GLN A 64 13.818 0.808 8.843 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.212 3.059 7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.136 1.852 6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.186 1.389 8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.345 2.456 9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.321 4.799 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.741 5.510 8.548 1.00 0.00 H new ATOM 1030 N ASP A 65 12.131 -0.529 6.838 1.00 0.00 N ATOM 1031 CA ASP A 65 11.693 -1.746 6.152 1.00 0.00 C ATOM 1032 C ASP A 65 11.828 -1.586 4.635 1.00 0.00 C ATOM 1033 O ASP A 65 11.014 -2.109 3.871 1.00 0.00 O ATOM 1034 CB ASP A 65 10.241 -2.076 6.524 1.00 0.00 C ATOM 1035 CG ASP A 65 10.084 -2.444 7.988 1.00 0.00 C ATOM 1036 OD1 ASP A 65 10.197 -3.644 8.314 1.00 0.00 O ATOM 1037 OD2 ASP A 65 9.850 -1.531 8.807 1.00 0.00 O ATOM 0 H ASP A 65 11.373 0.091 7.124 1.00 0.00 H new ATOM 0 HA ASP A 65 12.331 -2.570 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.608 -1.218 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.890 -2.902 5.906 1.00 0.00 H new ATOM 1042 N ASP A 66 12.859 -0.837 4.215 1.00 0.00 N ATOM 1043 CA ASP A 66 13.128 -0.563 2.821 1.00 0.00 C ATOM 1044 C ASP A 66 12.716 -1.698 1.902 1.00 0.00 C ATOM 1045 O ASP A 66 12.998 -2.871 2.148 1.00 0.00 O ATOM 1046 CB ASP A 66 14.605 -0.235 2.597 1.00 0.00 C ATOM 1047 CG ASP A 66 15.532 -1.369 3.000 1.00 0.00 C ATOM 1048 OD1 ASP A 66 15.873 -2.197 2.130 1.00 0.00 O ATOM 1049 OD2 ASP A 66 15.917 -1.428 4.188 1.00 0.00 O ATOM 0 H ASP A 66 13.529 -0.406 4.852 1.00 0.00 H new ATOM 0 HA ASP A 66 12.519 0.304 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.764 0.000 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.864 0.658 3.166 1.00 0.00 H new ATOM 1054 N VAL A 67 12.067 -1.289 0.834 1.00 0.00 N ATOM 1055 CA VAL A 67 11.577 -2.182 -0.224 1.00 0.00 C ATOM 1056 C VAL A 67 11.232 -3.579 0.305 1.00 0.00 C ATOM 1057 O VAL A 67 12.069 -4.484 0.295 1.00 0.00 O ATOM 1058 CB VAL A 67 12.615 -2.305 -1.369 1.00 0.00 C ATOM 1059 CG1 VAL A 67 11.942 -2.735 -2.668 1.00 0.00 C ATOM 1060 CG2 VAL A 67 13.372 -0.991 -1.558 1.00 0.00 C ATOM 0 H VAL A 67 11.854 -0.306 0.662 1.00 0.00 H new ATOM 0 HA VAL A 67 10.662 -1.732 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 67 13.336 -3.074 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.690 -2.814 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.461 -3.703 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.193 -1.996 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.095 -1.101 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.667 -0.198 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.895 -0.736 -0.636 1.00 0.00 H new ATOM 1070 N PRO A 68 9.981 -3.773 0.770 1.00 0.00 N ATOM 1071 CA PRO A 68 9.527 -5.057 1.295 1.00 0.00 C ATOM 1072 C PRO A 68 9.161 -6.055 0.197 1.00 0.00 C ATOM 1073 O PRO A 68 8.853 -7.213 0.487 1.00 0.00 O ATOM 1074 CB PRO A 68 8.301 -4.677 2.122 1.00 0.00 C ATOM 1075 CG PRO A 68 7.749 -3.463 1.456 1.00 0.00 C ATOM 1076 CD PRO A 68 8.916 -2.750 0.814 1.00 0.00 C ATOM 0 HA PRO A 68 10.305 -5.563 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.570 -5.485 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.572 -4.471 3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.004 -3.737 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.252 -2.817 2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.665 -2.393 -0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.222 -1.881 1.396 1.00 0.00 H new ATOM 1084 N GLY A 69 9.182 -5.603 -1.060 1.00 0.00 N ATOM 1085 CA GLY A 69 8.834 -6.473 -2.170 1.00 0.00 C ATOM 1086 C GLY A 69 7.331 -6.576 -2.360 1.00 0.00 C ATOM 1087 O GLY A 69 6.849 -6.709 -3.487 1.00 0.00 O ATOM 0 H GLY A 69 9.434 -4.651 -1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.290 -6.094 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.247 -7.467 -1.995 1.00 0.00 H new ATOM 1091 N ASP A 70 6.592 -6.508 -1.249 1.00 0.00 N ATOM 1092 CA ASP A 70 5.138 -6.589 -1.279 1.00 0.00 C ATOM 1093 C ASP A 70 4.508 -5.216 -1.516 1.00 0.00 C ATOM 1094 O ASP A 70 3.340 -5.133 -1.897 1.00 0.00 O ATOM 1095 CB ASP A 70 4.613 -7.188 0.030 1.00 0.00 C ATOM 1096 CG ASP A 70 3.279 -7.890 -0.142 1.00 0.00 C ATOM 1097 OD1 ASP A 70 2.233 -7.228 0.028 1.00 0.00 O ATOM 1098 OD2 ASP A 70 3.280 -9.101 -0.447 1.00 0.00 O ATOM 0 H ASP A 70 6.985 -6.396 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 70 4.857 -7.238 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.344 -7.896 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.509 -6.396 0.772 1.00 0.00 H new ATOM 1103 N LEU A 71 5.274 -4.134 -1.303 1.00 0.00 N ATOM 1104 CA LEU A 71 4.746 -2.797 -1.517 1.00 0.00 C ATOM 1105 C LEU A 71 4.830 -2.447 -2.995 1.00 0.00 C ATOM 1106 O LEU A 71 3.842 -2.039 -3.600 1.00 0.00 O ATOM 1107 CB LEU A 71 5.497 -1.768 -0.671 1.00 0.00 C ATOM 1108 CG LEU A 71 4.775 -0.432 -0.482 1.00 0.00 C ATOM 1109 CD1 LEU A 71 3.597 -0.571 0.477 1.00 0.00 C ATOM 1110 CD2 LEU A 71 5.749 0.619 0.015 1.00 0.00 C ATOM 0 H LEU A 71 6.244 -4.167 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 71 3.702 -2.777 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.692 -2.200 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.466 -1.578 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 71 4.379 -0.118 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.104 0.395 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.887 -1.296 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.957 -0.911 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.226 1.566 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.171 0.302 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.551 0.745 -0.713 1.00 0.00 H new ATOM 1122 N ARG A 72 6.014 -2.646 -3.576 1.00 0.00 N ATOM 1123 CA ARG A 72 6.230 -2.389 -4.997 1.00 0.00 C ATOM 1124 C ARG A 72 5.238 -3.199 -5.828 1.00 0.00 C ATOM 1125 O ARG A 72 4.470 -2.643 -6.607 1.00 0.00 O ATOM 1126 CB ARG A 72 7.660 -2.753 -5.396 1.00 0.00 C ATOM 1127 CG ARG A 72 8.109 -2.147 -6.716 1.00 0.00 C ATOM 1128 CD ARG A 72 8.597 -3.209 -7.691 1.00 0.00 C ATOM 1129 NE ARG A 72 9.747 -3.953 -7.167 1.00 0.00 N ATOM 1130 CZ ARG A 72 10.038 -5.221 -7.483 1.00 0.00 C ATOM 1131 NH1 ARG A 72 9.272 -5.905 -8.331 1.00 0.00 N ATOM 1132 NH2 ARG A 72 11.104 -5.805 -6.949 1.00 0.00 N ATOM 0 H ARG A 72 6.839 -2.985 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 72 6.075 -1.327 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.340 -2.427 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.743 -3.838 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.281 -1.597 -7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.908 -1.428 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.785 -3.903 -7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.871 -2.736 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 72 10.368 -3.471 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.453 -5.463 -8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.505 -6.871 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.698 -5.288 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.329 -6.771 -7.187 1.00 0.00 H new ATOM 1146 N ALA A 73 5.281 -4.523 -5.657 1.00 0.00 N ATOM 1147 CA ALA A 73 4.401 -5.440 -6.392 1.00 0.00 C ATOM 1148 C ALA A 73 2.955 -4.985 -6.280 1.00 0.00 C ATOM 1149 O ALA A 73 2.166 -5.121 -7.217 1.00 0.00 O ATOM 1150 CB ALA A 73 4.557 -6.862 -5.866 1.00 0.00 C ATOM 0 H ALA A 73 5.920 -4.988 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 73 4.687 -5.430 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.898 -7.530 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.590 -7.185 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.294 -6.890 -4.808 1.00 0.00 H new ATOM 1156 N LYS A 74 2.633 -4.422 -5.122 1.00 0.00 N ATOM 1157 CA LYS A 74 1.298 -3.907 -4.858 1.00 0.00 C ATOM 1158 C LYS A 74 1.108 -2.600 -5.623 1.00 0.00 C ATOM 1159 O LYS A 74 0.060 -2.362 -6.217 1.00 0.00 O ATOM 1160 CB LYS A 74 1.092 -3.706 -3.350 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.243 -3.070 -2.984 1.00 0.00 C ATOM 1162 CD LYS A 74 -0.097 -1.577 -2.727 1.00 0.00 C ATOM 1163 CE LYS A 74 -1.239 -1.037 -1.878 1.00 0.00 C ATOM 1164 NZ LYS A 74 -1.190 0.446 -1.754 1.00 0.00 N ATOM 0 H LYS A 74 3.285 -4.311 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 74 0.551 -4.625 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.171 -4.672 -2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.898 -3.081 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.958 -3.233 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.647 -3.555 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.851 -1.385 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.068 -1.045 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.190 -1.332 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.196 -1.485 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.985 0.772 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.293 0.728 -1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.257 0.876 -2.699 1.00 0.00 H new ATOM 1178 N VAL A 75 2.158 -1.774 -5.620 1.00 0.00 N ATOM 1179 CA VAL A 75 2.139 -0.496 -6.332 1.00 0.00 C ATOM 1180 C VAL A 75 2.074 -0.743 -7.834 1.00 0.00 C ATOM 1181 O VAL A 75 1.172 -0.243 -8.507 1.00 0.00 O ATOM 1182 CB VAL A 75 3.374 0.373 -5.992 1.00 0.00 C ATOM 1183 CG1 VAL A 75 3.354 1.686 -6.769 1.00 0.00 C ATOM 1184 CG2 VAL A 75 3.441 0.631 -4.491 1.00 0.00 C ATOM 0 H VAL A 75 3.032 -1.969 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 75 1.253 0.051 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 75 4.269 -0.173 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.233 2.276 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.360 1.476 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.454 2.246 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.314 1.243 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.539 1.153 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.517 -0.319 -3.962 1.00 0.00 H new ATOM 1194 N MET A 76 3.024 -1.523 -8.357 1.00 0.00 N ATOM 1195 CA MET A 76 3.054 -1.842 -9.785 1.00 0.00 C ATOM 1196 C MET A 76 1.701 -2.389 -10.228 1.00 0.00 C ATOM 1197 O MET A 76 1.140 -1.954 -11.232 1.00 0.00 O ATOM 1198 CB MET A 76 4.151 -2.864 -10.077 1.00 0.00 C ATOM 1199 CG MET A 76 5.562 -2.314 -9.952 1.00 0.00 C ATOM 1200 SD MET A 76 6.670 -2.930 -11.235 1.00 0.00 S ATOM 1201 CE MET A 76 6.608 -4.694 -10.930 1.00 0.00 C ATOM 0 H MET A 76 3.779 -1.943 -7.815 1.00 0.00 H new ATOM 0 HA MET A 76 3.267 -0.930 -10.342 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.039 -3.706 -9.394 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.012 -3.252 -11.086 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.528 -1.226 -10.000 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.964 -2.578 -8.974 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.429 -5.183 -11.454 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.697 -4.882 -9.860 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.660 -5.092 -11.290 1.00 0.00 H new ATOM 1211 N GLY A 77 1.189 -3.348 -9.454 1.00 0.00 N ATOM 1212 CA GLY A 77 -0.098 -3.955 -9.752 1.00 0.00 C ATOM 1213 C GLY A 77 -1.229 -2.947 -9.736 1.00 0.00 C ATOM 1214 O GLY A 77 -2.190 -3.083 -10.492 1.00 0.00 O ATOM 0 H GLY A 77 1.648 -3.716 -8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.054 -4.432 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.304 -4.740 -9.024 1.00 0.00 H new ATOM 1218 N ARG A 78 -1.097 -1.906 -8.904 1.00 0.00 N ATOM 1219 CA ARG A 78 -2.092 -0.852 -8.837 1.00 0.00 C ATOM 1220 C ARG A 78 -1.956 0.013 -10.070 1.00 0.00 C ATOM 1221 O ARG A 78 -2.954 0.387 -10.679 1.00 0.00 O ATOM 1222 CB ARG A 78 -1.902 0.005 -7.593 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.199 -0.722 -6.286 1.00 0.00 C ATOM 1224 CD ARG A 78 -3.611 -0.445 -5.795 1.00 0.00 C ATOM 1225 NE ARG A 78 -3.941 -1.221 -4.597 1.00 0.00 N ATOM 1226 CZ ARG A 78 -4.291 -2.512 -4.607 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -4.362 -3.189 -5.750 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -4.570 -3.129 -3.464 1.00 0.00 N ATOM 0 H ARG A 78 -0.307 -1.780 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.084 -1.302 -8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.875 0.369 -7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.548 0.880 -7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.067 -1.795 -6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.482 -0.411 -5.526 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.717 0.618 -5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.322 -0.681 -6.586 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.901 -0.745 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.148 -2.724 -6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.630 -4.173 -5.744 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.517 -2.618 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.837 -4.113 -3.468 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.702 0.304 -10.463 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.478 1.095 -11.661 1.00 0.00 C ATOM 1244 C LEU A 79 -1.033 0.316 -12.838 1.00 0.00 C ATOM 1245 O LEU A 79 -1.892 0.805 -13.564 1.00 0.00 O ATOM 1246 CB LEU A 79 1.005 1.417 -11.886 1.00 0.00 C ATOM 1247 CG LEU A 79 1.345 1.952 -13.292 1.00 0.00 C ATOM 1248 CD1 LEU A 79 0.347 3.019 -13.731 1.00 0.00 C ATOM 1249 CD2 LEU A 79 2.762 2.498 -13.338 1.00 0.00 C ATOM 0 H LEU A 79 0.143 0.007 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.983 2.054 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.318 2.154 -11.147 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.590 0.515 -11.705 1.00 0.00 H new ATOM 0 HG LEU A 79 1.277 1.116 -13.989 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.612 3.378 -14.726 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.656 2.592 -13.754 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.371 3.851 -13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.977 2.869 -14.340 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.862 3.313 -12.621 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.466 1.705 -13.086 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.542 -0.913 -13.008 1.00 0.00 N ATOM 1262 CA ASP A 80 -1.000 -1.785 -14.083 1.00 0.00 C ATOM 1263 C ASP A 80 -2.528 -1.837 -14.105 1.00 0.00 C ATOM 1264 O ASP A 80 -3.138 -1.977 -15.167 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.419 -3.195 -13.895 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.820 -4.153 -15.002 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -1.796 -4.909 -14.810 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -0.157 -4.147 -16.062 1.00 0.00 O ATOM 0 H ASP A 80 0.175 -1.325 -12.411 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.654 -1.386 -15.036 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.668 -3.132 -13.853 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.752 -3.595 -12.937 1.00 0.00 H new ATOM 1273 N LEU A 81 -3.140 -1.691 -12.924 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.582 -1.684 -12.801 1.00 0.00 C ATOM 1275 C LEU A 81 -5.103 -0.282 -13.139 1.00 0.00 C ATOM 1276 O LEU A 81 -6.124 -0.124 -13.804 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.946 -2.115 -11.374 1.00 0.00 C ATOM 1278 CG LEU A 81 -6.211 -1.513 -10.762 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -7.383 -1.585 -11.729 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -6.526 -2.235 -9.460 1.00 0.00 C ATOM 0 H LEU A 81 -2.644 -1.576 -12.040 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.048 -2.383 -13.495 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.050 -3.200 -11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.107 -1.870 -10.723 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.038 -0.457 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.267 -1.149 -11.263 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.141 -1.032 -12.636 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.583 -2.626 -11.982 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.427 -1.811 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.684 -3.295 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.692 -2.117 -8.768 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.357 0.723 -12.686 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.684 2.128 -12.937 1.00 0.00 C ATOM 1294 C ILE A 82 -4.591 2.430 -14.440 1.00 0.00 C ATOM 1295 O ILE A 82 -5.546 2.915 -15.047 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.740 3.069 -12.140 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -4.169 3.121 -10.668 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.700 4.474 -12.736 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -3.033 3.399 -9.709 1.00 0.00 C ATOM 0 H ILE A 82 -3.509 0.588 -12.135 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.705 2.308 -12.600 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.731 2.661 -12.205 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.930 3.892 -10.548 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.633 2.172 -10.401 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.028 5.100 -12.148 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.342 4.423 -13.764 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.702 4.904 -12.722 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.415 3.420 -8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.281 2.615 -9.798 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.583 4.362 -9.948 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.428 2.137 -15.025 1.00 0.00 N ATOM 1312 CA ARG A 83 -3.181 2.362 -16.451 1.00 0.00 C ATOM 1313 C ARG A 83 -4.189 1.612 -17.335 1.00 0.00 C ATOM 1314 O ARG A 83 -4.577 2.107 -18.395 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.746 1.941 -16.799 1.00 0.00 C ATOM 1316 CG ARG A 83 -1.446 0.469 -16.550 1.00 0.00 C ATOM 1317 CD ARG A 83 -1.500 -0.337 -17.834 1.00 0.00 C ATOM 1318 NE ARG A 83 -0.428 -1.332 -17.916 1.00 0.00 N ATOM 1319 CZ ARG A 83 -0.249 -2.157 -18.951 1.00 0.00 C ATOM 1320 NH1 ARG A 83 -1.067 -2.116 -20.000 1.00 0.00 N ATOM 1321 NH2 ARG A 83 0.753 -3.028 -18.938 1.00 0.00 N ATOM 0 H ARG A 83 -2.633 1.738 -14.526 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.309 3.426 -16.650 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.559 2.165 -17.849 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.051 2.545 -16.215 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.459 0.370 -16.099 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.165 0.066 -15.836 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.465 -0.840 -17.903 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.431 0.338 -18.687 1.00 0.00 H new ATOM 0 HE ARG A 83 0.223 -1.399 -17.133 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.839 -1.450 -20.019 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.921 -2.750 -20.785 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.385 -3.067 -18.138 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.891 -3.659 -19.728 1.00 0.00 H new ATOM 1335 N SER A 84 -4.603 0.419 -16.898 1.00 0.00 N ATOM 1336 CA SER A 84 -5.558 -0.395 -17.654 1.00 0.00 C ATOM 1337 C SER A 84 -7.010 -0.022 -17.328 1.00 0.00 C ATOM 1338 O SER A 84 -7.877 -0.064 -18.204 1.00 0.00 O ATOM 1339 CB SER A 84 -5.328 -1.883 -17.371 1.00 0.00 C ATOM 1340 OG SER A 84 -6.098 -2.694 -18.243 1.00 0.00 O ATOM 0 H SER A 84 -4.291 -0.004 -16.024 1.00 0.00 H new ATOM 0 HA SER A 84 -5.391 -0.195 -18.712 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.270 -2.119 -17.489 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.591 -2.104 -16.337 1.00 0.00 H new ATOM 0 HG SER A 84 -5.932 -3.639 -18.043 1.00 0.00 H new ATOM 1346 N GLY A 85 -7.269 0.339 -16.069 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.612 0.709 -15.651 1.00 0.00 C ATOM 1348 C GLY A 85 -8.616 1.574 -14.402 1.00 0.00 C ATOM 1349 O GLY A 85 -7.762 2.445 -14.248 1.00 0.00 O ATOM 0 H GLY A 85 -6.568 0.381 -15.330 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.106 1.245 -16.461 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.193 -0.194 -15.465 1.00 0.00 H new ATOM 1353 N GLN A 86 -9.580 1.342 -13.506 1.00 0.00 N ATOM 1354 CA GLN A 86 -9.684 2.108 -12.277 1.00 0.00 C ATOM 1355 C GLN A 86 -10.029 1.193 -11.097 1.00 0.00 C ATOM 1356 O GLN A 86 -9.769 -0.010 -11.142 1.00 0.00 O ATOM 1357 CB GLN A 86 -10.737 3.213 -12.433 1.00 0.00 C ATOM 1358 CG GLN A 86 -10.544 4.075 -13.674 1.00 0.00 C ATOM 1359 CD GLN A 86 -11.069 5.489 -13.497 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -12.360 5.682 -13.758 1.00 0.00 O flip ATOM 1361 NE2 GLN A 86 -10.325 6.397 -13.128 1.00 0.00 N flip ATOM 0 H GLN A 86 -10.298 0.626 -13.617 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.719 2.573 -12.072 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.726 2.757 -12.469 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.713 3.852 -11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.483 4.115 -13.922 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.051 3.607 -14.518 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.341 6.205 -12.939 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.692 7.341 -13.011 1.00 0.00 H new ATOM 1370 N SER A 87 -10.621 1.772 -10.052 1.00 0.00 N ATOM 1371 CA SER A 87 -11.011 1.032 -8.851 1.00 0.00 C ATOM 1372 C SER A 87 -9.825 0.272 -8.252 1.00 0.00 C ATOM 1373 O SER A 87 -9.415 -0.768 -8.770 1.00 0.00 O ATOM 1374 CB SER A 87 -12.156 0.070 -9.169 1.00 0.00 C ATOM 1375 OG SER A 87 -13.223 0.219 -8.249 1.00 0.00 O ATOM 0 H SER A 87 -10.844 2.767 -10.014 1.00 0.00 H new ATOM 0 HA SER A 87 -11.351 1.754 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.517 0.253 -10.181 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.790 -0.956 -9.142 1.00 0.00 H new ATOM 0 HG SER A 87 -13.942 -0.407 -8.477 1.00 0.00 H new ATOM 1381 N VAL A 88 -9.283 0.801 -7.155 1.00 0.00 N ATOM 1382 CA VAL A 88 -8.147 0.185 -6.474 1.00 0.00 C ATOM 1383 C VAL A 88 -8.385 0.122 -4.962 1.00 0.00 C ATOM 1384 O VAL A 88 -7.938 0.984 -4.204 1.00 0.00 O ATOM 1385 CB VAL A 88 -6.826 0.936 -6.765 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -6.357 0.694 -8.194 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -6.991 2.422 -6.502 1.00 0.00 C ATOM 0 H VAL A 88 -9.616 1.660 -6.718 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.054 -0.829 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.062 0.546 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.427 1.235 -8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.191 -0.372 -8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.117 1.046 -8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.052 2.935 -6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.774 2.821 -7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.265 2.579 -5.459 1.00 0.00 H new ATOM 1397 N PRO A 89 -9.123 -0.908 -4.521 1.00 0.00 N ATOM 1398 CA PRO A 89 -9.477 -1.125 -3.117 1.00 0.00 C ATOM 1399 C PRO A 89 -8.354 -1.794 -2.322 1.00 0.00 C ATOM 1400 O PRO A 89 -7.313 -2.146 -2.879 1.00 0.00 O ATOM 1401 CB PRO A 89 -10.713 -2.044 -3.201 1.00 0.00 C ATOM 1402 CG PRO A 89 -10.972 -2.249 -4.664 1.00 0.00 C ATOM 1403 CD PRO A 89 -9.702 -1.939 -5.368 1.00 0.00 C ATOM 0 HA PRO A 89 -9.662 -0.187 -2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.528 -2.994 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.574 -1.588 -2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -11.284 -3.274 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.775 -1.599 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.055 -2.813 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -9.876 -1.581 -6.383 1.00 0.00 H new ATOM 1411 N GLU A 90 -8.580 -1.966 -1.013 1.00 0.00 N ATOM 1412 CA GLU A 90 -7.600 -2.592 -0.122 1.00 0.00 C ATOM 1413 C GLU A 90 -6.258 -1.856 -0.160 1.00 0.00 C ATOM 1414 O GLU A 90 -5.270 -2.369 -0.692 1.00 0.00 O ATOM 1415 CB GLU A 90 -7.411 -4.066 -0.483 1.00 0.00 C ATOM 1416 CG GLU A 90 -8.648 -4.925 -0.261 1.00 0.00 C ATOM 1417 CD GLU A 90 -8.883 -5.254 1.202 1.00 0.00 C ATOM 1418 OE1 GLU A 90 -9.440 -4.397 1.921 1.00 0.00 O ATOM 1419 OE2 GLU A 90 -8.512 -6.367 1.629 1.00 0.00 O ATOM 0 H GLU A 90 -9.440 -1.677 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.987 -2.527 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.116 -4.137 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.590 -4.471 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.521 -4.405 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.547 -5.852 -0.825 1.00 0.00 H new ATOM 1426 N HIS A 91 -6.232 -0.647 0.408 1.00 0.00 N ATOM 1427 CA HIS A 91 -5.013 0.167 0.441 1.00 0.00 C ATOM 1428 C HIS A 91 -4.928 0.982 1.735 1.00 0.00 C ATOM 1429 O HIS A 91 -4.541 2.152 1.720 1.00 0.00 O ATOM 1430 CB HIS A 91 -4.960 1.095 -0.783 1.00 0.00 C ATOM 1431 CG HIS A 91 -6.118 2.043 -0.883 1.00 0.00 C ATOM 1432 ND1 HIS A 91 -7.386 1.648 -1.258 1.00 0.00 N ATOM 1433 CD2 HIS A 91 -6.196 3.376 -0.656 1.00 0.00 C ATOM 1434 CE1 HIS A 91 -8.191 2.696 -1.257 1.00 0.00 C ATOM 1435 NE2 HIS A 91 -7.494 3.756 -0.895 1.00 0.00 N ATOM 0 H HIS A 91 -7.040 -0.210 0.851 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.155 -0.505 0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.035 1.671 -0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.924 0.486 -1.686 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -5.387 4.021 -0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.241 2.686 -1.510 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.860 4.704 -0.807 1.00 0.00 H new ATOM 1444 N ASP A 92 -5.284 0.352 2.859 1.00 0.00 N ATOM 1445 CA ASP A 92 -5.242 1.017 4.163 1.00 0.00 C ATOM 1446 C ASP A 92 -3.805 1.109 4.676 1.00 0.00 C ATOM 1447 O ASP A 92 -3.261 2.204 4.829 1.00 0.00 O ATOM 1448 CB ASP A 92 -6.113 0.264 5.177 1.00 0.00 C ATOM 1449 CG ASP A 92 -7.592 0.340 4.846 1.00 0.00 C ATOM 1450 OD1 ASP A 92 -8.083 -0.543 4.112 1.00 0.00 O ATOM 1451 OD2 ASP A 92 -8.259 1.284 5.321 1.00 0.00 O ATOM 0 H ASP A 92 -5.604 -0.616 2.891 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.634 2.027 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.805 -0.781 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.945 0.677 6.172 1.00 0.00 H new ATOM 1456 N VAL A 93 -3.196 -0.051 4.932 1.00 0.00 N ATOM 1457 CA VAL A 93 -1.823 -0.119 5.421 1.00 0.00 C ATOM 1458 C VAL A 93 -0.893 -0.726 4.369 1.00 0.00 C ATOM 1459 O VAL A 93 0.313 -0.847 4.594 1.00 0.00 O ATOM 1460 CB VAL A 93 -1.726 -0.941 6.732 1.00 0.00 C ATOM 1461 CG1 VAL A 93 -0.421 -0.644 7.465 1.00 0.00 C ATOM 1462 CG2 VAL A 93 -2.924 -0.669 7.635 1.00 0.00 C ATOM 0 H VAL A 93 -3.639 -0.961 4.806 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.509 0.904 5.627 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.734 -1.998 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.376 -1.233 8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.423 -0.904 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.376 0.417 7.712 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.832 -1.257 8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.956 0.391 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.841 -0.946 7.116 1.00 0.00 H new ATOM 1472 N ALA A 94 -1.463 -1.121 3.221 1.00 0.00 N ATOM 1473 CA ALA A 94 -0.693 -1.734 2.137 1.00 0.00 C ATOM 1474 C ALA A 94 -0.101 -3.080 2.567 1.00 0.00 C ATOM 1475 O ALA A 94 0.691 -3.680 1.839 1.00 0.00 O ATOM 1476 CB ALA A 94 0.402 -0.790 1.652 1.00 0.00 C ATOM 0 H ALA A 94 -2.459 -1.025 3.022 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.375 -1.922 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.962 -1.265 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.049 0.132 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.077 -0.561 2.477 1.00 0.00 H new ATOM 1482 N ALA A 95 -0.499 -3.550 3.756 1.00 0.00 N ATOM 1483 CA ALA A 95 -0.020 -4.821 4.289 1.00 0.00 C ATOM 1484 C ALA A 95 -1.170 -5.631 4.888 1.00 0.00 C ATOM 1485 O ALA A 95 -1.331 -6.815 4.584 1.00 0.00 O ATOM 1486 CB ALA A 95 1.068 -4.585 5.329 1.00 0.00 C ATOM 0 H ALA A 95 -1.155 -3.062 4.366 1.00 0.00 H new ATOM 0 HA ALA A 95 0.405 -5.396 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.415 -5.543 5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.903 -4.056 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.666 -3.987 6.147 1.00 0.00 H new ATOM 1492 N ALA A 96 -1.971 -4.980 5.737 1.00 0.00 N ATOM 1493 CA ALA A 96 -3.114 -5.627 6.381 1.00 0.00 C ATOM 1494 C ALA A 96 -4.374 -4.767 6.242 1.00 0.00 C ATOM 1495 O ALA A 96 -4.824 -4.147 7.208 1.00 0.00 O ATOM 1496 CB ALA A 96 -2.805 -5.895 7.846 1.00 0.00 C ATOM 0 H ALA A 96 -1.846 -4.001 5.994 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.300 -6.579 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.662 -6.377 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.935 -6.548 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -2.596 -4.953 8.352 1.00 0.00 H new ATOM 1502 N PRO A 97 -4.956 -4.711 5.026 1.00 0.00 N ATOM 1503 CA PRO A 97 -6.159 -3.918 4.756 1.00 0.00 C ATOM 1504 C PRO A 97 -7.445 -4.631 5.177 1.00 0.00 C ATOM 1505 O PRO A 97 -7.513 -5.862 5.178 1.00 0.00 O ATOM 1506 CB PRO A 97 -6.109 -3.737 3.240 1.00 0.00 C ATOM 1507 CG PRO A 97 -5.436 -4.968 2.735 1.00 0.00 C ATOM 1508 CD PRO A 97 -4.477 -5.410 3.815 1.00 0.00 C ATOM 0 HA PRO A 97 -6.172 -2.983 5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.109 -3.632 2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.553 -2.841 2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.166 -5.749 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.905 -4.765 1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.494 -6.492 3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.450 -5.134 3.575 1.00 0.00 H new ATOM 1516 N SER A 98 -8.465 -3.845 5.531 1.00 0.00 N ATOM 1517 CA SER A 98 -9.755 -4.392 5.953 1.00 0.00 C ATOM 1518 C SER A 98 -10.891 -3.419 5.624 1.00 0.00 C ATOM 1519 O SER A 98 -11.512 -2.845 6.523 1.00 0.00 O ATOM 1520 CB SER A 98 -9.735 -4.698 7.455 1.00 0.00 C ATOM 1521 OG SER A 98 -10.930 -5.342 7.864 1.00 0.00 O ATOM 0 H SER A 98 -8.421 -2.826 5.533 1.00 0.00 H new ATOM 0 HA SER A 98 -9.930 -5.319 5.407 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.879 -5.332 7.688 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.608 -3.772 8.016 1.00 0.00 H new ATOM 0 HG SER A 98 -10.889 -5.527 8.826 1.00 0.00 H new ATOM 1527 N SER A 99 -11.155 -3.238 4.328 1.00 0.00 N ATOM 1528 CA SER A 99 -12.215 -2.335 3.875 1.00 0.00 C ATOM 1529 C SER A 99 -13.545 -3.075 3.723 1.00 0.00 C ATOM 1530 O SER A 99 -14.575 -2.621 4.223 1.00 0.00 O ATOM 1531 CB SER A 99 -11.823 -1.678 2.546 1.00 0.00 C ATOM 1532 OG SER A 99 -11.591 -2.650 1.540 1.00 0.00 O ATOM 0 H SER A 99 -10.650 -3.704 3.575 1.00 0.00 H new ATOM 0 HA SER A 99 -12.342 -1.561 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.615 -1.001 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.926 -1.075 2.686 1.00 0.00 H new ATOM 0 HG SER A 99 -10.761 -3.133 1.737 1.00 0.00 H new ATOM 1538 N SER A 100 -13.517 -4.216 3.026 1.00 0.00 N ATOM 1539 CA SER A 100 -14.723 -5.017 2.806 1.00 0.00 C ATOM 1540 C SER A 100 -14.413 -6.514 2.862 1.00 0.00 C ATOM 1541 O SER A 100 -15.067 -7.261 3.592 1.00 0.00 O ATOM 1542 CB SER A 100 -15.360 -4.661 1.458 1.00 0.00 C ATOM 1543 OG SER A 100 -14.428 -4.798 0.397 1.00 0.00 O ATOM 0 H SER A 100 -12.673 -4.604 2.605 1.00 0.00 H new ATOM 0 HA SER A 100 -15.428 -4.787 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 100 -16.219 -5.307 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.733 -3.637 1.488 1.00 0.00 H new ATOM 0 HG SER A 100 -14.861 -4.566 -0.451 1.00 0.00 H new ATOM 1549 N ALA A 101 -13.416 -6.947 2.084 1.00 0.00 N ATOM 1550 CA ALA A 101 -13.022 -8.355 2.043 1.00 0.00 C ATOM 1551 C ALA A 101 -11.536 -8.523 2.374 1.00 0.00 C ATOM 1552 O ALA A 101 -10.701 -8.626 1.472 1.00 0.00 O ATOM 1553 CB ALA A 101 -13.335 -8.946 0.674 1.00 0.00 C ATOM 0 H ALA A 101 -12.868 -6.340 1.474 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.594 -8.892 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.038 -9.995 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.405 -8.868 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.787 -8.399 -0.093 1.00 0.00 H new ATOM 1559 N PRO A 102 -11.182 -8.550 3.680 1.00 0.00 N ATOM 1560 CA PRO A 102 -9.787 -8.704 4.128 1.00 0.00 C ATOM 1561 C PRO A 102 -9.091 -9.910 3.492 1.00 0.00 C ATOM 1562 O PRO A 102 -7.982 -9.789 2.968 1.00 0.00 O ATOM 1563 CB PRO A 102 -9.925 -8.897 5.641 1.00 0.00 C ATOM 1564 CG PRO A 102 -11.183 -8.184 5.982 1.00 0.00 C ATOM 1565 CD PRO A 102 -12.109 -8.424 4.824 1.00 0.00 C ATOM 0 HA PRO A 102 -9.172 -7.850 3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.981 -9.953 5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.072 -8.479 6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.610 -8.564 6.910 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.003 -7.119 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -12.704 -9.327 4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.808 -7.599 4.688 1.00 0.00 H new ATOM 1573 N GLN A 103 -9.752 -11.070 3.542 1.00 0.00 N ATOM 1574 CA GLN A 103 -9.202 -12.299 2.969 1.00 0.00 C ATOM 1575 C GLN A 103 -10.322 -13.287 2.628 1.00 0.00 C ATOM 1576 O GLN A 103 -10.304 -14.441 3.062 1.00 0.00 O ATOM 1577 CB GLN A 103 -8.200 -12.939 3.942 1.00 0.00 C ATOM 1578 CG GLN A 103 -7.307 -13.986 3.306 1.00 0.00 C ATOM 1579 CD GLN A 103 -6.072 -14.291 4.135 1.00 0.00 C ATOM 1580 OE1 GLN A 103 -5.009 -13.708 3.922 1.00 0.00 O ATOM 1581 NE2 GLN A 103 -6.205 -15.208 5.090 1.00 0.00 N ATOM 0 H GLN A 103 -10.669 -11.182 3.974 1.00 0.00 H new ATOM 0 HA GLN A 103 -8.679 -12.044 2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.575 -12.156 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -8.749 -13.396 4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -7.877 -14.904 3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -7.000 -13.643 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.104 -15.668 5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -5.408 -15.451 5.678 1.00 0.00 H new ATOM 1590 N GLU A 104 -11.298 -12.825 1.841 1.00 0.00 N ATOM 1591 CA GLU A 104 -12.425 -13.665 1.437 1.00 0.00 C ATOM 1592 C GLU A 104 -12.039 -14.559 0.257 1.00 0.00 C ATOM 1593 O GLU A 104 -11.650 -14.066 -0.804 1.00 0.00 O ATOM 1594 CB GLU A 104 -13.634 -12.795 1.068 1.00 0.00 C ATOM 1595 CG GLU A 104 -14.961 -13.542 1.095 1.00 0.00 C ATOM 1596 CD GLU A 104 -16.142 -12.651 0.761 1.00 0.00 C ATOM 1597 OE1 GLU A 104 -16.718 -12.054 1.695 1.00 0.00 O ATOM 1598 OE2 GLU A 104 -16.491 -12.549 -0.433 1.00 0.00 O ATOM 0 H GLU A 104 -11.329 -11.875 1.472 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.694 -14.303 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.688 -11.953 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.481 -12.381 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -14.922 -14.368 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -15.108 -13.977 2.083 1.00 0.00 H new ATOM 1605 N SER A 105 -12.147 -15.876 0.450 1.00 0.00 N ATOM 1606 CA SER A 105 -11.808 -16.840 -0.596 1.00 0.00 C ATOM 1607 C SER A 105 -12.990 -17.065 -1.538 1.00 0.00 C ATOM 1608 O SER A 105 -12.774 -17.050 -2.768 1.00 0.00 O ATOM 1609 CB SER A 105 -11.373 -18.171 0.027 1.00 0.00 C ATOM 1610 OG SER A 105 -12.388 -18.702 0.865 1.00 0.00 O ATOM 1611 OXT SER A 105 -14.118 -17.256 -1.038 1.00 0.00 O ATOM 0 H SER A 105 -12.467 -16.298 1.322 1.00 0.00 H new ATOM 0 HA SER A 105 -10.980 -16.431 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.139 -18.885 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.461 -18.024 0.605 1.00 0.00 H new ATOM 0 HG SER A 105 -13.265 -18.403 0.546 1.00 0.00 H new TER 1617 SER A 105