USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 57 HIS : no HE2:sc= 0.506 K(o=-12,f=-25!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.9! C(o=-12!,f=-12!) USER MOD Set 1.3: A 85 SER OG : rot 163:sc= 0.251 USER MOD Set 2.1: A 31 THR OG1 : rot 127:sc= 0.593 USER MOD Set 2.2: A 34 HIS : no HD1:sc= 0 X(o=0.59,f=0.56) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -87:sc= 0.917 USER MOD Single : A 21 CYS SG : rot 31:sc= 0.673 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 57:sc= -2.48 USER MOD Single : A 38 MET CE :methyl -176:sc= -3.03 (180deg=-3.28!) USER MOD Single : A 41 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.7!) USER MOD Single : A 44 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.21) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -160:sc= -3.13! USER MOD Single : A 69 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.0056) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.399 K(o=-0.4,f=-1.8!) USER MOD Single : A 95 SER OG : rot 31:sc= 1.03 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.646 -19.786 13.526 1.00 0.00 N ATOM 2 CA GLY A 1 -23.773 -18.624 13.528 1.00 0.00 C ATOM 3 C GLY A 1 -22.302 -19.044 13.550 1.00 0.00 C ATOM 4 O GLY A 1 -21.853 -19.791 12.683 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.638 -19.475 13.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.452 -20.365 12.684 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.473 -20.351 14.382 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.968 -18.016 12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.991 -18.003 14.397 1.00 0.00 H new ATOM 8 N SER A 2 -21.593 -18.544 14.552 1.00 0.00 N ATOM 9 CA SER A 2 -20.182 -18.858 14.699 1.00 0.00 C ATOM 10 C SER A 2 -19.422 -18.458 13.432 1.00 0.00 C ATOM 11 O SER A 2 -20.029 -18.226 12.387 1.00 0.00 O ATOM 12 CB SER A 2 -19.976 -20.345 14.994 1.00 0.00 C ATOM 13 OG SER A 2 -19.169 -20.553 16.150 1.00 0.00 O ATOM 0 H SER A 2 -21.969 -17.924 15.269 1.00 0.00 H new ATOM 0 HA SER A 2 -19.792 -18.290 15.544 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.945 -20.824 15.137 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.508 -20.824 14.134 1.00 0.00 H new ATOM 0 HG SER A 2 -19.062 -21.515 16.306 1.00 0.00 H new ATOM 19 N SER A 3 -18.106 -18.390 13.566 1.00 0.00 N ATOM 20 CA SER A 3 -17.257 -18.022 12.446 1.00 0.00 C ATOM 21 C SER A 3 -17.579 -16.597 11.991 1.00 0.00 C ATOM 22 O SER A 3 -18.726 -16.287 11.673 1.00 0.00 O ATOM 23 CB SER A 3 -17.426 -19.001 11.282 1.00 0.00 C ATOM 24 OG SER A 3 -17.205 -20.351 11.684 1.00 0.00 O ATOM 0 H SER A 3 -17.606 -18.584 14.434 1.00 0.00 H new ATOM 0 HA SER A 3 -16.219 -18.066 12.775 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.431 -18.905 10.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.729 -18.741 10.485 1.00 0.00 H new ATOM 0 HG SER A 3 -17.324 -20.945 10.914 1.00 0.00 H new ATOM 30 N GLY A 4 -16.546 -15.768 11.975 1.00 0.00 N ATOM 31 CA GLY A 4 -16.704 -14.383 11.564 1.00 0.00 C ATOM 32 C GLY A 4 -16.804 -14.270 10.042 1.00 0.00 C ATOM 33 O GLY A 4 -17.893 -14.367 9.478 1.00 0.00 O ATOM 0 H GLY A 4 -15.596 -16.029 12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.600 -13.964 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.858 -13.795 11.921 1.00 0.00 H new ATOM 37 N SER A 5 -15.652 -14.068 9.418 1.00 0.00 N ATOM 38 CA SER A 5 -15.596 -13.941 7.972 1.00 0.00 C ATOM 39 C SER A 5 -14.160 -14.142 7.485 1.00 0.00 C ATOM 40 O SER A 5 -13.300 -13.292 7.710 1.00 0.00 O ATOM 41 CB SER A 5 -16.126 -12.580 7.518 1.00 0.00 C ATOM 42 OG SER A 5 -16.932 -12.684 6.347 1.00 0.00 O ATOM 0 H SER A 5 -14.750 -13.989 9.888 1.00 0.00 H new ATOM 0 HA SER A 5 -16.232 -14.711 7.536 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.710 -12.132 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.288 -11.911 7.323 1.00 0.00 H new ATOM 0 HG SER A 5 -17.252 -11.794 6.090 1.00 0.00 H new ATOM 48 N SER A 6 -13.945 -15.271 6.826 1.00 0.00 N ATOM 49 CA SER A 6 -12.627 -15.594 6.304 1.00 0.00 C ATOM 50 C SER A 6 -12.750 -16.167 4.891 1.00 0.00 C ATOM 51 O SER A 6 -13.787 -16.721 4.530 1.00 0.00 O ATOM 52 CB SER A 6 -11.901 -16.584 7.218 1.00 0.00 C ATOM 53 OG SER A 6 -10.683 -17.047 6.641 1.00 0.00 O ATOM 0 H SER A 6 -14.661 -15.974 6.641 1.00 0.00 H new ATOM 0 HA SER A 6 -12.039 -14.677 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.691 -16.107 8.175 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.552 -17.434 7.422 1.00 0.00 H new ATOM 0 HG SER A 6 -10.248 -17.675 7.255 1.00 0.00 H new ATOM 59 N GLY A 7 -11.676 -16.014 4.130 1.00 0.00 N ATOM 60 CA GLY A 7 -11.650 -16.510 2.764 1.00 0.00 C ATOM 61 C GLY A 7 -10.335 -16.145 2.074 1.00 0.00 C ATOM 62 O GLY A 7 -9.276 -16.652 2.440 1.00 0.00 O ATOM 0 H GLY A 7 -10.818 -15.554 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.777 -17.593 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.487 -16.091 2.205 1.00 0.00 H new ATOM 66 N ARG A 8 -10.445 -15.269 1.086 1.00 0.00 N ATOM 67 CA ARG A 8 -9.277 -14.831 0.340 1.00 0.00 C ATOM 68 C ARG A 8 -8.608 -13.651 1.048 1.00 0.00 C ATOM 69 O ARG A 8 -9.268 -12.893 1.758 1.00 0.00 O ATOM 70 CB ARG A 8 -9.656 -14.416 -1.083 1.00 0.00 C ATOM 71 CG ARG A 8 -9.911 -15.642 -1.962 1.00 0.00 C ATOM 72 CD ARG A 8 -11.365 -16.105 -1.848 1.00 0.00 C ATOM 73 NE ARG A 8 -11.982 -16.169 -3.192 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.280 -16.420 -3.411 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.105 -16.632 -2.377 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.753 -16.458 -4.664 1.00 0.00 N ATOM 0 H ARG A 8 -11.325 -14.851 0.785 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.582 -15.669 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.548 -13.790 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.857 -13.814 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.682 -15.403 -3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.244 -16.451 -1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.407 -17.085 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.925 -15.418 -1.214 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.382 -16.012 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.745 -16.602 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.093 -16.823 -2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.125 -16.296 -5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.741 -16.649 -4.831 1.00 0.00 H new ATOM 90 N PRO A 9 -7.273 -13.528 0.823 1.00 0.00 N ATOM 91 CA PRO A 9 -6.507 -12.452 1.430 1.00 0.00 C ATOM 92 C PRO A 9 -6.783 -11.120 0.730 1.00 0.00 C ATOM 93 O PRO A 9 -7.395 -11.090 -0.336 1.00 0.00 O ATOM 94 CB PRO A 9 -5.056 -12.892 1.321 1.00 0.00 C ATOM 95 CG PRO A 9 -5.027 -13.969 0.249 1.00 0.00 C ATOM 96 CD PRO A 9 -6.459 -14.406 -0.013 1.00 0.00 C ATOM 0 HA PRO A 9 -6.779 -12.277 2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.413 -12.054 1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.692 -13.279 2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.572 -13.586 -0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.423 -14.816 0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.718 -14.302 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.608 -15.453 0.250 1.00 0.00 H new ATOM 104 N HIS A 10 -6.317 -10.051 1.359 1.00 0.00 N ATOM 105 CA HIS A 10 -6.506 -8.718 0.810 1.00 0.00 C ATOM 106 C HIS A 10 -5.195 -8.227 0.193 1.00 0.00 C ATOM 107 O HIS A 10 -4.254 -7.891 0.911 1.00 0.00 O ATOM 108 CB HIS A 10 -7.055 -7.765 1.873 1.00 0.00 C ATOM 109 CG HIS A 10 -8.401 -8.170 2.424 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.596 -7.778 1.846 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.729 -8.935 3.505 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.591 -8.289 2.556 1.00 0.00 C ATOM 113 NE2 HIS A 10 -10.052 -9.006 3.583 1.00 0.00 N ATOM 0 H HIS A 10 -5.809 -10.080 2.243 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.252 -8.750 0.015 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.341 -7.703 2.694 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.135 -6.766 1.444 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.030 -9.403 4.182 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.645 -8.160 2.356 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.579 -9.513 4.294 1.00 0.00 H new ATOM 121 N VAL A 11 -5.174 -8.201 -1.131 1.00 0.00 N ATOM 122 CA VAL A 11 -3.994 -7.756 -1.853 1.00 0.00 C ATOM 123 C VAL A 11 -4.022 -6.232 -1.978 1.00 0.00 C ATOM 124 O VAL A 11 -4.595 -5.694 -2.925 1.00 0.00 O ATOM 125 CB VAL A 11 -3.909 -8.466 -3.206 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.768 -7.898 -4.052 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.758 -9.977 -3.024 1.00 0.00 C ATOM 0 H VAL A 11 -5.956 -8.481 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.089 -8.020 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.843 -8.285 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.729 -8.420 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.938 -6.835 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.823 -8.034 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.700 -10.457 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.848 -10.187 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.618 -10.366 -2.479 1.00 0.00 H new ATOM 137 N VAL A 12 -3.397 -5.578 -1.010 1.00 0.00 N ATOM 138 CA VAL A 12 -3.344 -4.126 -1.000 1.00 0.00 C ATOM 139 C VAL A 12 -2.420 -3.647 -2.122 1.00 0.00 C ATOM 140 O VAL A 12 -1.319 -4.167 -2.289 1.00 0.00 O ATOM 141 CB VAL A 12 -2.915 -3.628 0.381 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.839 -2.100 0.414 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.854 -4.153 1.470 1.00 0.00 C ATOM 0 H VAL A 12 -2.923 -6.027 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.332 -3.706 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.917 -4.018 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.532 -1.772 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.113 -1.756 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.818 -1.682 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.526 -3.784 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.869 -3.807 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.837 -5.243 1.471 1.00 0.00 H new ATOM 153 N LYS A 13 -2.904 -2.659 -2.861 1.00 0.00 N ATOM 154 CA LYS A 13 -2.136 -2.104 -3.962 1.00 0.00 C ATOM 155 C LYS A 13 -1.627 -0.714 -3.574 1.00 0.00 C ATOM 156 O LYS A 13 -2.363 0.268 -3.664 1.00 0.00 O ATOM 157 CB LYS A 13 -2.959 -2.119 -5.252 1.00 0.00 C ATOM 158 CG LYS A 13 -3.321 -3.550 -5.655 1.00 0.00 C ATOM 159 CD LYS A 13 -3.847 -3.599 -7.091 1.00 0.00 C ATOM 160 CE LYS A 13 -2.700 -3.501 -8.098 1.00 0.00 C ATOM 161 NZ LYS A 13 -3.010 -4.287 -9.314 1.00 0.00 N ATOM 0 H LYS A 13 -3.818 -2.229 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.260 -2.721 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.869 -1.535 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.394 -1.644 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.444 -4.190 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.076 -3.944 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.397 -4.527 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.549 -2.781 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.531 -2.458 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.779 -3.868 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.221 -4.210 -9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.149 -5.285 -9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.878 -3.919 -9.753 1.00 0.00 H new ATOM 175 N VAL A 14 -0.373 -0.675 -3.149 1.00 0.00 N ATOM 176 CA VAL A 14 0.242 0.578 -2.746 1.00 0.00 C ATOM 177 C VAL A 14 1.061 1.137 -3.912 1.00 0.00 C ATOM 178 O VAL A 14 2.021 0.511 -4.358 1.00 0.00 O ATOM 179 CB VAL A 14 1.073 0.369 -1.479 1.00 0.00 C ATOM 180 CG1 VAL A 14 2.135 1.461 -1.333 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.177 0.308 -0.240 1.00 0.00 C ATOM 0 H VAL A 14 0.234 -1.491 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.521 1.316 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 14 1.587 -0.588 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.712 1.289 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.801 1.438 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.650 2.435 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.792 0.159 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.376 1.242 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.524 -0.521 -0.339 1.00 0.00 H new ATOM 191 N TYR A 15 0.651 2.310 -4.372 1.00 0.00 N ATOM 192 CA TYR A 15 1.334 2.961 -5.477 1.00 0.00 C ATOM 193 C TYR A 15 2.385 3.948 -4.967 1.00 0.00 C ATOM 194 O TYR A 15 2.201 4.572 -3.923 1.00 0.00 O ATOM 195 CB TYR A 15 0.257 3.732 -6.244 1.00 0.00 C ATOM 196 CG TYR A 15 -0.719 2.839 -7.013 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.778 2.248 -6.355 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.540 2.625 -8.365 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.697 1.408 -7.080 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.458 1.785 -9.089 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.491 1.218 -8.410 1.00 0.00 C ATOM 202 OH TYR A 15 -3.359 0.424 -9.094 1.00 0.00 O ATOM 0 H TYR A 15 -0.146 2.826 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 15 1.844 2.226 -6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.305 4.347 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.741 4.412 -6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.918 2.415 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.289 3.088 -8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.531 0.940 -6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.329 1.609 -10.147 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.089 0.380 -10.035 1.00 0.00 H new ATOM 212 N SER A 16 3.465 4.059 -5.727 1.00 0.00 N ATOM 213 CA SER A 16 4.546 4.959 -5.365 1.00 0.00 C ATOM 214 C SER A 16 4.565 6.162 -6.311 1.00 0.00 C ATOM 215 O SER A 16 4.242 6.032 -7.491 1.00 0.00 O ATOM 216 CB SER A 16 5.896 4.240 -5.394 1.00 0.00 C ATOM 217 OG SER A 16 6.329 3.971 -6.725 1.00 0.00 O ATOM 0 H SER A 16 3.614 3.540 -6.592 1.00 0.00 H new ATOM 0 HA SER A 16 4.373 5.308 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.643 4.850 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.820 3.304 -4.841 1.00 0.00 H new ATOM 0 HG SER A 16 5.952 3.118 -7.026 1.00 0.00 H new ATOM 223 N GLU A 17 4.946 7.304 -5.758 1.00 0.00 N ATOM 224 CA GLU A 17 5.011 8.528 -6.538 1.00 0.00 C ATOM 225 C GLU A 17 5.608 8.247 -7.918 1.00 0.00 C ATOM 226 O GLU A 17 5.027 8.617 -8.937 1.00 0.00 O ATOM 227 CB GLU A 17 5.811 9.605 -5.802 1.00 0.00 C ATOM 228 CG GLU A 17 4.883 10.653 -5.186 1.00 0.00 C ATOM 229 CD GLU A 17 5.460 12.061 -5.351 1.00 0.00 C ATOM 230 OE1 GLU A 17 6.458 12.349 -4.656 1.00 0.00 O ATOM 231 OE2 GLU A 17 4.889 12.816 -6.167 1.00 0.00 O ATOM 0 H GLU A 17 5.213 7.407 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 17 3.997 8.904 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.414 9.144 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.501 10.087 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.903 10.600 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.737 10.438 -4.128 1.00 0.00 H new ATOM 238 N ASP A 18 6.761 7.594 -7.906 1.00 0.00 N ATOM 239 CA ASP A 18 7.444 7.260 -9.145 1.00 0.00 C ATOM 240 C ASP A 18 6.442 6.646 -10.125 1.00 0.00 C ATOM 241 O ASP A 18 6.420 7.004 -11.301 1.00 0.00 O ATOM 242 CB ASP A 18 8.555 6.236 -8.902 1.00 0.00 C ATOM 243 CG ASP A 18 9.021 5.480 -10.147 1.00 0.00 C ATOM 244 OD1 ASP A 18 8.246 4.615 -10.609 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.142 5.784 -10.609 1.00 0.00 O ATOM 0 H ASP A 18 7.239 7.287 -7.059 1.00 0.00 H new ATOM 0 HA ASP A 18 7.878 8.175 -9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.412 6.749 -8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.207 5.512 -8.165 1.00 0.00 H new ATOM 250 N GLY A 19 5.637 5.732 -9.603 1.00 0.00 N ATOM 251 CA GLY A 19 4.635 5.065 -10.417 1.00 0.00 C ATOM 252 C GLY A 19 4.624 3.559 -10.148 1.00 0.00 C ATOM 253 O GLY A 19 3.587 2.910 -10.277 1.00 0.00 O ATOM 0 H GLY A 19 5.658 5.438 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.651 5.483 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.838 5.248 -11.472 1.00 0.00 H new ATOM 257 N ALA A 20 5.789 3.047 -9.781 1.00 0.00 N ATOM 258 CA ALA A 20 5.927 1.629 -9.493 1.00 0.00 C ATOM 259 C ALA A 20 4.878 1.220 -8.456 1.00 0.00 C ATOM 260 O ALA A 20 5.028 1.507 -7.270 1.00 0.00 O ATOM 261 CB ALA A 20 7.354 1.339 -9.024 1.00 0.00 C ATOM 0 H ALA A 20 6.647 3.589 -9.676 1.00 0.00 H new ATOM 0 HA ALA A 20 5.753 1.036 -10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.457 0.276 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.058 1.620 -9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.565 1.914 -8.122 1.00 0.00 H new ATOM 267 N CYS A 21 3.840 0.556 -8.943 1.00 0.00 N ATOM 268 CA CYS A 21 2.766 0.104 -8.073 1.00 0.00 C ATOM 269 C CYS A 21 3.165 -1.249 -7.482 1.00 0.00 C ATOM 270 O CYS A 21 3.414 -2.203 -8.219 1.00 0.00 O ATOM 271 CB CYS A 21 1.430 0.033 -8.815 1.00 0.00 C ATOM 272 SG CYS A 21 1.517 -1.224 -10.142 1.00 0.00 S ATOM 0 H CYS A 21 3.719 0.320 -9.928 1.00 0.00 H new ATOM 0 HA CYS A 21 2.620 0.822 -7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.630 -0.217 -8.118 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.189 1.007 -9.241 1.00 0.00 H new ATOM 0 HG CYS A 21 2.334 -2.171 -9.789 1.00 0.00 H new ATOM 278 N ARG A 22 3.212 -1.291 -6.159 1.00 0.00 N ATOM 279 CA ARG A 22 3.575 -2.512 -5.461 1.00 0.00 C ATOM 280 C ARG A 22 2.346 -3.123 -4.785 1.00 0.00 C ATOM 281 O ARG A 22 1.340 -2.444 -4.587 1.00 0.00 O ATOM 282 CB ARG A 22 4.649 -2.244 -4.405 1.00 0.00 C ATOM 283 CG ARG A 22 6.000 -2.819 -4.838 1.00 0.00 C ATOM 284 CD ARG A 22 5.941 -4.345 -4.932 1.00 0.00 C ATOM 285 NE ARG A 22 7.140 -4.854 -5.635 1.00 0.00 N ATOM 286 CZ ARG A 22 8.345 -4.987 -5.065 1.00 0.00 C ATOM 287 NH1 ARG A 22 8.520 -4.649 -3.780 1.00 0.00 N ATOM 288 NH2 ARG A 22 9.376 -5.458 -5.780 1.00 0.00 N ATOM 0 H ARG A 22 3.005 -0.498 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 22 3.972 -3.210 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.743 -1.171 -4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.349 -2.687 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.284 -2.402 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.770 -2.524 -4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.884 -4.777 -3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.040 -4.651 -5.464 1.00 0.00 H new ATOM 0 HE ARG A 22 7.043 -5.120 -6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.736 -4.290 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.438 -4.750 -3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.243 -5.715 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.294 -5.559 -5.346 1.00 0.00 H new ATOM 302 N SER A 23 2.468 -4.399 -4.449 1.00 0.00 N ATOM 303 CA SER A 23 1.379 -5.109 -3.800 1.00 0.00 C ATOM 304 C SER A 23 1.906 -5.875 -2.584 1.00 0.00 C ATOM 305 O SER A 23 3.039 -6.353 -2.590 1.00 0.00 O ATOM 306 CB SER A 23 0.689 -6.067 -4.772 1.00 0.00 C ATOM 307 OG SER A 23 1.626 -6.782 -5.573 1.00 0.00 O ATOM 0 H SER A 23 3.304 -4.959 -4.614 1.00 0.00 H new ATOM 0 HA SER A 23 0.642 -4.377 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.078 -6.774 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.015 -5.505 -5.418 1.00 0.00 H new ATOM 0 HG SER A 23 1.146 -7.384 -6.179 1.00 0.00 H new ATOM 313 N VAL A 24 1.058 -5.967 -1.570 1.00 0.00 N ATOM 314 CA VAL A 24 1.424 -6.666 -0.350 1.00 0.00 C ATOM 315 C VAL A 24 0.244 -7.522 0.115 1.00 0.00 C ATOM 316 O VAL A 24 -0.907 -7.094 0.039 1.00 0.00 O ATOM 317 CB VAL A 24 1.889 -5.664 0.708 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.349 -5.266 0.482 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.982 -4.431 0.733 1.00 0.00 C ATOM 0 H VAL A 24 0.119 -5.569 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 24 2.262 -7.338 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 24 1.821 -6.149 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.654 -4.553 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.981 -6.152 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.453 -4.809 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.335 -3.735 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.003 -3.944 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.039 -4.735 0.965 1.00 0.00 H new ATOM 329 N GLU A 25 0.570 -8.716 0.587 1.00 0.00 N ATOM 330 CA GLU A 25 -0.448 -9.636 1.065 1.00 0.00 C ATOM 331 C GLU A 25 -0.740 -9.383 2.545 1.00 0.00 C ATOM 332 O GLU A 25 0.134 -9.557 3.393 1.00 0.00 O ATOM 333 CB GLU A 25 -0.029 -11.089 0.829 1.00 0.00 C ATOM 334 CG GLU A 25 -0.896 -11.742 -0.249 1.00 0.00 C ATOM 335 CD GLU A 25 -0.944 -13.260 -0.068 1.00 0.00 C ATOM 336 OE1 GLU A 25 -1.492 -13.691 0.969 1.00 0.00 O ATOM 337 OE2 GLU A 25 -0.432 -13.956 -0.972 1.00 0.00 O ATOM 0 H GLU A 25 1.525 -9.068 0.649 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.363 -9.460 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.018 -11.125 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.114 -11.651 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.906 -11.335 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.499 -11.502 -1.235 1.00 0.00 H new ATOM 344 N VAL A 26 -1.972 -8.976 2.811 1.00 0.00 N ATOM 345 CA VAL A 26 -2.390 -8.697 4.175 1.00 0.00 C ATOM 346 C VAL A 26 -3.815 -9.216 4.383 1.00 0.00 C ATOM 347 O VAL A 26 -4.542 -9.448 3.418 1.00 0.00 O ATOM 348 CB VAL A 26 -2.249 -7.203 4.470 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.783 -6.769 4.414 1.00 0.00 C ATOM 350 CG2 VAL A 26 -3.104 -6.371 3.512 1.00 0.00 C ATOM 0 H VAL A 26 -2.695 -8.833 2.106 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.747 -9.217 4.886 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.612 -7.026 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.711 -5.703 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.210 -7.327 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.382 -6.968 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.985 -5.313 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.785 -6.556 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.152 -6.651 3.623 1.00 0.00 H new ATOM 360 N ALA A 27 -4.171 -9.382 5.648 1.00 0.00 N ATOM 361 CA ALA A 27 -5.495 -9.869 5.995 1.00 0.00 C ATOM 362 C ALA A 27 -6.186 -8.850 6.904 1.00 0.00 C ATOM 363 O ALA A 27 -5.524 -8.107 7.626 1.00 0.00 O ATOM 364 CB ALA A 27 -5.377 -11.247 6.649 1.00 0.00 C ATOM 0 H ALA A 27 -3.565 -9.188 6.445 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.108 -9.984 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.370 -11.612 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.906 -11.941 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.770 -11.171 7.551 1.00 0.00 H new ATOM 370 N ALA A 28 -7.510 -8.848 6.838 1.00 0.00 N ATOM 371 CA ALA A 28 -8.298 -7.933 7.645 1.00 0.00 C ATOM 372 C ALA A 28 -7.688 -7.840 9.045 1.00 0.00 C ATOM 373 O ALA A 28 -7.937 -8.695 9.893 1.00 0.00 O ATOM 374 CB ALA A 28 -9.754 -8.401 7.674 1.00 0.00 C ATOM 0 H ALA A 28 -8.056 -9.466 6.238 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.286 -6.933 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.345 -7.714 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.150 -8.422 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.806 -9.401 8.104 1.00 0.00 H new ATOM 380 N GLY A 29 -6.900 -6.793 9.244 1.00 0.00 N ATOM 381 CA GLY A 29 -6.252 -6.577 10.527 1.00 0.00 C ATOM 382 C GLY A 29 -5.046 -5.647 10.383 1.00 0.00 C ATOM 383 O GLY A 29 -4.888 -4.705 11.158 1.00 0.00 O ATOM 0 H GLY A 29 -6.696 -6.085 8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.965 -6.147 11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.931 -7.533 10.942 1.00 0.00 H new ATOM 387 N ALA A 30 -4.226 -5.944 9.385 1.00 0.00 N ATOM 388 CA ALA A 30 -3.039 -5.146 9.129 1.00 0.00 C ATOM 389 C ALA A 30 -3.433 -3.671 9.029 1.00 0.00 C ATOM 390 O ALA A 30 -4.556 -3.350 8.643 1.00 0.00 O ATOM 391 CB ALA A 30 -2.347 -5.652 7.862 1.00 0.00 C ATOM 0 H ALA A 30 -4.360 -6.726 8.744 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.328 -5.242 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.457 -5.053 7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.061 -6.695 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.030 -5.568 7.016 1.00 0.00 H new ATOM 397 N THR A 31 -2.488 -2.814 9.384 1.00 0.00 N ATOM 398 CA THR A 31 -2.722 -1.380 9.339 1.00 0.00 C ATOM 399 C THR A 31 -1.748 -0.711 8.368 1.00 0.00 C ATOM 400 O THR A 31 -0.968 -1.388 7.701 1.00 0.00 O ATOM 401 CB THR A 31 -2.625 -0.840 10.767 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.224 -0.781 11.022 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.150 -1.833 11.806 1.00 0.00 C ATOM 0 H THR A 31 -1.558 -3.084 9.704 1.00 0.00 H new ATOM 0 HA THR A 31 -3.718 -1.153 8.958 1.00 0.00 H new ATOM 0 HB THR A 31 -3.185 0.092 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.986 0.117 11.333 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.058 -1.400 12.802 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.198 -2.054 11.602 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.569 -2.754 11.756 1.00 0.00 H new ATOM 411 N ALA A 32 -1.824 0.611 8.321 1.00 0.00 N ATOM 412 CA ALA A 32 -0.958 1.380 7.443 1.00 0.00 C ATOM 413 C ALA A 32 0.489 1.255 7.924 1.00 0.00 C ATOM 414 O ALA A 32 1.416 1.664 7.227 1.00 0.00 O ATOM 415 CB ALA A 32 -1.435 2.833 7.400 1.00 0.00 C ATOM 0 H ALA A 32 -2.472 1.169 8.877 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.002 0.993 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.786 3.410 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.457 2.869 7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.402 3.257 8.404 1.00 0.00 H new ATOM 421 N ARG A 33 0.637 0.689 9.113 1.00 0.00 N ATOM 422 CA ARG A 33 1.956 0.505 9.695 1.00 0.00 C ATOM 423 C ARG A 33 2.576 -0.804 9.202 1.00 0.00 C ATOM 424 O ARG A 33 3.781 -0.873 8.964 1.00 0.00 O ATOM 425 CB ARG A 33 1.885 0.484 11.223 1.00 0.00 C ATOM 426 CG ARG A 33 3.106 -0.219 11.819 1.00 0.00 C ATOM 427 CD ARG A 33 4.395 0.527 11.466 1.00 0.00 C ATOM 428 NE ARG A 33 5.309 0.536 12.630 1.00 0.00 N ATOM 429 CZ ARG A 33 5.124 1.287 13.725 1.00 0.00 C ATOM 430 NH1 ARG A 33 4.057 2.093 13.812 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.005 1.231 14.732 1.00 0.00 N ATOM 0 H ARG A 33 -0.134 0.352 9.689 1.00 0.00 H new ATOM 0 HA ARG A 33 2.577 1.345 9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.827 1.504 11.602 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.976 -0.026 11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.002 -0.280 12.902 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.160 -1.242 11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.881 0.049 10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.163 1.549 11.167 1.00 0.00 H new ATOM 0 HE ARG A 33 6.131 -0.067 12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.386 2.135 13.045 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.916 2.664 14.645 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.817 0.617 14.666 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.864 1.802 15.565 1.00 0.00 H new ATOM 445 N HIS A 34 1.725 -1.810 9.064 1.00 0.00 N ATOM 446 CA HIS A 34 2.174 -3.113 8.604 1.00 0.00 C ATOM 447 C HIS A 34 2.730 -2.992 7.183 1.00 0.00 C ATOM 448 O HIS A 34 3.875 -3.361 6.928 1.00 0.00 O ATOM 449 CB HIS A 34 1.051 -4.145 8.714 1.00 0.00 C ATOM 450 CG HIS A 34 0.994 -4.851 10.048 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.665 -4.203 11.226 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.228 -6.154 10.378 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.702 -5.086 12.213 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.053 -6.294 11.686 1.00 0.00 N ATOM 0 H HIS A 34 0.726 -1.749 9.263 1.00 0.00 H new ATOM 0 HA HIS A 34 2.981 -3.470 9.244 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.097 -3.649 8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.176 -4.888 7.926 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.508 -6.939 9.691 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.491 -4.885 13.253 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.163 -7.162 12.211 1.00 0.00 H new ATOM 462 N VAL A 35 1.893 -2.473 6.297 1.00 0.00 N ATOM 463 CA VAL A 35 2.287 -2.299 4.909 1.00 0.00 C ATOM 464 C VAL A 35 3.619 -1.549 4.851 1.00 0.00 C ATOM 465 O VAL A 35 4.606 -2.069 4.334 1.00 0.00 O ATOM 466 CB VAL A 35 1.171 -1.596 4.133 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.662 -1.141 2.757 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.060 -2.496 4.006 1.00 0.00 C ATOM 0 H VAL A 35 0.944 -2.167 6.513 1.00 0.00 H new ATOM 0 HA VAL A 35 2.438 -3.267 4.431 1.00 0.00 H new ATOM 0 HB VAL A 35 0.880 -0.708 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.849 -0.645 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.493 -0.447 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.993 -2.007 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.838 -1.972 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.211 -3.410 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.431 -2.748 5.000 1.00 0.00 H new ATOM 478 N CYS A 36 3.604 -0.338 5.390 1.00 0.00 N ATOM 479 CA CYS A 36 4.799 0.488 5.406 1.00 0.00 C ATOM 480 C CYS A 36 5.987 -0.392 5.798 1.00 0.00 C ATOM 481 O CYS A 36 7.022 -0.377 5.133 1.00 0.00 O ATOM 482 CB CYS A 36 4.644 1.688 6.344 1.00 0.00 C ATOM 483 SG CYS A 36 6.182 2.679 6.351 1.00 0.00 S ATOM 0 H CYS A 36 2.783 0.090 5.818 1.00 0.00 H new ATOM 0 HA CYS A 36 4.969 0.905 4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.805 2.305 6.023 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.418 1.344 7.353 1.00 0.00 H new ATOM 0 HG CYS A 36 6.469 3.044 5.137 1.00 0.00 H new ATOM 489 N GLU A 37 5.799 -1.140 6.876 1.00 0.00 N ATOM 490 CA GLU A 37 6.842 -2.025 7.364 1.00 0.00 C ATOM 491 C GLU A 37 7.146 -3.109 6.328 1.00 0.00 C ATOM 492 O GLU A 37 8.298 -3.505 6.158 1.00 0.00 O ATOM 493 CB GLU A 37 6.452 -2.645 8.707 1.00 0.00 C ATOM 494 CG GLU A 37 6.652 -1.647 9.850 1.00 0.00 C ATOM 495 CD GLU A 37 7.965 -1.914 10.588 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.019 -1.555 10.020 1.00 0.00 O ATOM 497 OE2 GLU A 37 7.885 -2.473 11.704 1.00 0.00 O ATOM 0 H GLU A 37 4.939 -1.151 7.425 1.00 0.00 H new ATOM 0 HA GLU A 37 7.746 -1.436 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.410 -2.964 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.053 -3.536 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.653 -0.631 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.818 -1.716 10.548 1.00 0.00 H new ATOM 504 N MET A 38 6.092 -3.559 5.662 1.00 0.00 N ATOM 505 CA MET A 38 6.231 -4.589 4.647 1.00 0.00 C ATOM 506 C MET A 38 6.874 -4.026 3.378 1.00 0.00 C ATOM 507 O MET A 38 7.488 -4.763 2.609 1.00 0.00 O ATOM 508 CB MET A 38 4.854 -5.164 4.311 1.00 0.00 C ATOM 509 CG MET A 38 4.290 -5.961 5.489 1.00 0.00 C ATOM 510 SD MET A 38 2.547 -6.259 5.245 1.00 0.00 S ATOM 511 CE MET A 38 2.609 -7.299 3.796 1.00 0.00 C ATOM 0 H MET A 38 5.138 -3.229 5.806 1.00 0.00 H new ATOM 0 HA MET A 38 6.876 -5.375 5.040 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.171 -4.354 4.055 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.929 -5.808 3.434 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.820 -6.909 5.584 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.447 -5.413 6.418 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.595 -7.521 3.464 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.147 -6.783 3.001 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.123 -8.229 4.037 1.00 0.00 H new ATOM 521 N LEU A 39 6.710 -2.723 3.199 1.00 0.00 N ATOM 522 CA LEU A 39 7.266 -2.052 2.036 1.00 0.00 C ATOM 523 C LEU A 39 8.681 -1.567 2.361 1.00 0.00 C ATOM 524 O LEU A 39 9.634 -1.911 1.664 1.00 0.00 O ATOM 525 CB LEU A 39 6.329 -0.941 1.559 1.00 0.00 C ATOM 526 CG LEU A 39 4.910 -1.374 1.187 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.990 -0.162 1.031 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.916 -2.255 -0.064 1.00 0.00 C ATOM 0 H LEU A 39 6.200 -2.115 3.840 1.00 0.00 H new ATOM 0 HA LEU A 39 7.350 -2.746 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.264 -0.187 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.780 -0.460 0.691 1.00 0.00 H new ATOM 0 HG LEU A 39 4.512 -1.977 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.987 -0.498 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.952 0.389 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.374 0.488 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.895 -2.549 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.342 -1.698 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.516 -3.146 0.121 1.00 0.00 H new ATOM 540 N VAL A 40 8.772 -0.775 3.419 1.00 0.00 N ATOM 541 CA VAL A 40 10.054 -0.239 3.844 1.00 0.00 C ATOM 542 C VAL A 40 11.135 -1.305 3.654 1.00 0.00 C ATOM 543 O VAL A 40 12.159 -1.049 3.021 1.00 0.00 O ATOM 544 CB VAL A 40 9.958 0.265 5.286 1.00 0.00 C ATOM 545 CG1 VAL A 40 8.910 1.373 5.410 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.658 -0.885 6.250 1.00 0.00 C ATOM 0 H VAL A 40 7.979 -0.492 3.995 1.00 0.00 H new ATOM 0 HA VAL A 40 10.332 0.619 3.232 1.00 0.00 H new ATOM 0 HB VAL A 40 10.925 0.687 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.861 1.714 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.185 2.208 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.936 0.988 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.595 -0.500 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.710 -1.349 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.455 -1.626 6.191 1.00 0.00 H new ATOM 556 N GLN A 41 10.872 -2.476 4.214 1.00 0.00 N ATOM 557 CA GLN A 41 11.810 -3.581 4.114 1.00 0.00 C ATOM 558 C GLN A 41 12.343 -3.697 2.685 1.00 0.00 C ATOM 559 O GLN A 41 13.478 -3.311 2.408 1.00 0.00 O ATOM 560 CB GLN A 41 11.164 -4.892 4.567 1.00 0.00 C ATOM 561 CG GLN A 41 11.542 -5.219 6.013 1.00 0.00 C ATOM 562 CD GLN A 41 11.258 -6.688 6.335 1.00 0.00 C ATOM 563 OE1 GLN A 41 11.186 -7.538 5.463 1.00 0.00 O ATOM 564 NE2 GLN A 41 11.103 -6.937 7.632 1.00 0.00 N ATOM 0 H GLN A 41 10.022 -2.684 4.739 1.00 0.00 H new ATOM 0 HA GLN A 41 12.650 -3.380 4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.080 -4.817 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.482 -5.703 3.912 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.599 -5.005 6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.980 -4.579 6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.176 -6.178 8.309 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.911 -7.887 7.950 1.00 0.00 H new ATOM 573 N ARG A 42 11.499 -4.231 1.814 1.00 0.00 N ATOM 574 CA ARG A 42 11.871 -4.403 0.420 1.00 0.00 C ATOM 575 C ARG A 42 12.638 -5.714 0.233 1.00 0.00 C ATOM 576 O ARG A 42 12.346 -6.483 -0.682 1.00 0.00 O ATOM 577 CB ARG A 42 12.737 -3.240 -0.066 1.00 0.00 C ATOM 578 CG ARG A 42 12.495 -2.959 -1.551 1.00 0.00 C ATOM 579 CD ARG A 42 13.292 -3.926 -2.429 1.00 0.00 C ATOM 580 NE ARG A 42 14.741 -3.654 -2.295 1.00 0.00 N ATOM 581 CZ ARG A 42 15.352 -2.574 -2.798 1.00 0.00 C ATOM 582 NH1 ARG A 42 14.645 -1.657 -3.472 1.00 0.00 N ATOM 583 NH2 ARG A 42 16.671 -2.410 -2.628 1.00 0.00 N ATOM 0 H ARG A 42 10.559 -4.550 2.047 1.00 0.00 H new ATOM 0 HA ARG A 42 10.953 -4.428 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 42 12.514 -2.347 0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.789 -3.473 0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.432 -3.052 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.781 -1.933 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.078 -4.955 -2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.988 -3.819 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 42 15.310 -4.332 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.641 -1.782 -3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.111 -0.834 -3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.210 -3.108 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 42 17.136 -1.587 -3.011 1.00 0.00 H new ATOM 597 N ALA A 43 13.603 -5.929 1.115 1.00 0.00 N ATOM 598 CA ALA A 43 14.414 -7.133 1.058 1.00 0.00 C ATOM 599 C ALA A 43 15.333 -7.182 2.280 1.00 0.00 C ATOM 600 O ALA A 43 15.317 -8.154 3.035 1.00 0.00 O ATOM 601 CB ALA A 43 15.193 -7.163 -0.258 1.00 0.00 C ATOM 0 H ALA A 43 13.841 -5.290 1.873 1.00 0.00 H new ATOM 0 HA ALA A 43 13.783 -8.021 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.801 -8.066 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.494 -7.157 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.839 -6.287 -0.318 1.00 0.00 H new ATOM 607 N HIS A 44 16.112 -6.122 2.439 1.00 0.00 N ATOM 608 CA HIS A 44 17.035 -6.032 3.556 1.00 0.00 C ATOM 609 C HIS A 44 16.835 -4.700 4.282 1.00 0.00 C ATOM 610 O HIS A 44 17.527 -3.723 3.997 1.00 0.00 O ATOM 611 CB HIS A 44 18.477 -6.241 3.088 1.00 0.00 C ATOM 612 CG HIS A 44 18.859 -5.410 1.887 1.00 0.00 C ATOM 613 ND1 HIS A 44 19.947 -5.707 1.085 1.00 0.00 N ATOM 614 CD2 HIS A 44 18.287 -4.289 1.359 1.00 0.00 C ATOM 615 CE1 HIS A 44 20.017 -4.800 0.122 1.00 0.00 C ATOM 616 NE2 HIS A 44 18.988 -3.922 0.294 1.00 0.00 N ATOM 0 H HIS A 44 16.122 -5.318 1.812 1.00 0.00 H new ATOM 0 HA HIS A 44 16.826 -6.830 4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 44 19.153 -6.005 3.910 1.00 0.00 H new ATOM 0 HB3 HIS A 44 18.622 -7.295 2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.412 -3.786 1.743 1.00 0.00 H new ATOM 0 HE1 HIS A 44 20.759 -4.763 -0.662 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.790 -3.116 -0.299 1.00 0.00 H new ATOM 624 N ALA A 45 15.884 -4.702 5.205 1.00 0.00 N ATOM 625 CA ALA A 45 15.584 -3.506 5.973 1.00 0.00 C ATOM 626 C ALA A 45 16.892 -2.858 6.431 1.00 0.00 C ATOM 627 O ALA A 45 17.782 -3.538 6.939 1.00 0.00 O ATOM 628 CB ALA A 45 14.671 -3.869 7.146 1.00 0.00 C ATOM 0 H ALA A 45 15.311 -5.513 5.438 1.00 0.00 H new ATOM 0 HA ALA A 45 15.053 -2.778 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.446 -2.972 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.744 -4.299 6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.172 -4.595 7.786 1.00 0.00 H new ATOM 634 N LEU A 46 16.967 -1.549 6.236 1.00 0.00 N ATOM 635 CA LEU A 46 18.151 -0.801 6.622 1.00 0.00 C ATOM 636 C LEU A 46 17.925 0.685 6.339 1.00 0.00 C ATOM 637 O LEU A 46 18.647 1.286 5.545 1.00 0.00 O ATOM 638 CB LEU A 46 19.394 -1.376 5.940 1.00 0.00 C ATOM 639 CG LEU A 46 20.432 -2.015 6.864 1.00 0.00 C ATOM 640 CD1 LEU A 46 20.784 -3.429 6.398 1.00 0.00 C ATOM 641 CD2 LEU A 46 21.672 -1.129 6.992 1.00 0.00 C ATOM 0 H LEU A 46 16.226 -0.988 5.816 1.00 0.00 H new ATOM 0 HA LEU A 46 18.331 -0.898 7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.073 -2.124 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.879 -0.577 5.380 1.00 0.00 H new ATOM 0 HG LEU A 46 19.995 -2.103 7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 46 21.524 -3.861 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.886 -4.047 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 46 21.193 -3.388 5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 46 22.394 -1.607 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 46 22.121 -0.987 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 46 21.387 -0.161 7.404 1.00 0.00 H new ATOM 653 N SER A 47 16.920 1.235 7.004 1.00 0.00 N ATOM 654 CA SER A 47 16.589 2.640 6.834 1.00 0.00 C ATOM 655 C SER A 47 16.418 3.307 8.200 1.00 0.00 C ATOM 656 O SER A 47 16.445 2.635 9.230 1.00 0.00 O ATOM 657 CB SER A 47 15.320 2.810 5.997 1.00 0.00 C ATOM 658 OG SER A 47 14.187 2.208 6.618 1.00 0.00 O ATOM 0 H SER A 47 16.324 0.733 7.662 1.00 0.00 H new ATOM 0 HA SER A 47 17.409 3.122 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.127 3.872 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.472 2.367 5.013 1.00 0.00 H new ATOM 0 HG SER A 47 13.396 2.339 6.054 1.00 0.00 H new ATOM 664 N ASP A 48 16.246 4.620 8.165 1.00 0.00 N ATOM 665 CA ASP A 48 16.071 5.385 9.387 1.00 0.00 C ATOM 666 C ASP A 48 15.080 6.524 9.134 1.00 0.00 C ATOM 667 O ASP A 48 15.070 7.515 9.862 1.00 0.00 O ATOM 668 CB ASP A 48 17.393 6.002 9.846 1.00 0.00 C ATOM 669 CG ASP A 48 17.977 5.404 11.127 1.00 0.00 C ATOM 670 OD1 ASP A 48 18.604 4.328 11.017 1.00 0.00 O ATOM 671 OD2 ASP A 48 17.782 6.036 12.188 1.00 0.00 O ATOM 0 H ASP A 48 16.224 5.174 7.309 1.00 0.00 H new ATOM 0 HA ASP A 48 15.703 4.708 10.158 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.125 5.892 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.244 7.071 9.997 1.00 0.00 H new ATOM 676 N GLU A 49 14.272 6.343 8.100 1.00 0.00 N ATOM 677 CA GLU A 49 13.281 7.343 7.741 1.00 0.00 C ATOM 678 C GLU A 49 11.871 6.764 7.875 1.00 0.00 C ATOM 679 O GLU A 49 11.590 5.679 7.367 1.00 0.00 O ATOM 680 CB GLU A 49 13.523 7.873 6.327 1.00 0.00 C ATOM 681 CG GLU A 49 14.439 9.099 6.350 1.00 0.00 C ATOM 682 CD GLU A 49 13.717 10.311 6.941 1.00 0.00 C ATOM 683 OE1 GLU A 49 12.758 10.775 6.286 1.00 0.00 O ATOM 684 OE2 GLU A 49 14.140 10.748 8.033 1.00 0.00 O ATOM 0 H GLU A 49 14.283 5.519 7.499 1.00 0.00 H new ATOM 0 HA GLU A 49 13.376 8.183 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.971 7.091 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.571 8.134 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.331 8.880 6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.772 9.328 5.338 1.00 0.00 H new ATOM 691 N THR A 50 11.021 7.513 8.562 1.00 0.00 N ATOM 692 CA THR A 50 9.647 7.088 8.769 1.00 0.00 C ATOM 693 C THR A 50 8.831 7.278 7.489 1.00 0.00 C ATOM 694 O THR A 50 9.187 8.090 6.637 1.00 0.00 O ATOM 695 CB THR A 50 9.089 7.860 9.967 1.00 0.00 C ATOM 696 OG1 THR A 50 9.971 7.529 11.035 1.00 0.00 O ATOM 697 CG2 THR A 50 7.731 7.325 10.426 1.00 0.00 C ATOM 0 H THR A 50 11.257 8.412 8.982 1.00 0.00 H new ATOM 0 HA THR A 50 9.592 6.023 8.996 1.00 0.00 H new ATOM 0 HB THR A 50 8.995 8.915 9.708 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.683 7.989 11.851 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.380 7.907 11.278 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.013 7.407 9.610 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.831 6.280 10.718 1.00 0.00 H new ATOM 705 N TRP A 51 7.752 6.515 7.395 1.00 0.00 N ATOM 706 CA TRP A 51 6.882 6.590 6.233 1.00 0.00 C ATOM 707 C TRP A 51 5.453 6.292 6.692 1.00 0.00 C ATOM 708 O TRP A 51 5.233 5.915 7.842 1.00 0.00 O ATOM 709 CB TRP A 51 7.363 5.648 5.127 1.00 0.00 C ATOM 710 CG TRP A 51 8.558 6.180 4.333 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.814 6.369 4.761 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.558 6.586 2.948 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.620 6.865 3.756 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.832 7.001 2.620 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.516 6.602 2.005 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.183 7.463 1.345 1.00 0.00 C ATOM 717 CZ3 TRP A 51 7.883 7.066 0.736 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.161 7.487 0.389 1.00 0.00 C ATOM 0 H TRP A 51 7.460 5.842 8.104 1.00 0.00 H new ATOM 0 HA TRP A 51 6.906 7.589 5.797 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.633 4.690 5.572 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.538 5.460 4.440 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.153 6.160 5.765 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.612 7.090 3.833 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.512 6.282 2.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.188 7.783 1.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.119 7.099 -0.027 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.365 7.831 -0.614 1.00 0.00 H new ATOM 729 N GLY A 52 4.520 6.472 5.770 1.00 0.00 N ATOM 730 CA GLY A 52 3.118 6.228 6.065 1.00 0.00 C ATOM 731 C GLY A 52 2.335 5.912 4.789 1.00 0.00 C ATOM 732 O GLY A 52 2.921 5.763 3.718 1.00 0.00 O ATOM 0 H GLY A 52 4.707 6.784 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.029 5.397 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.688 7.103 6.552 1.00 0.00 H new ATOM 736 N LEU A 53 1.023 5.820 4.946 1.00 0.00 N ATOM 737 CA LEU A 53 0.154 5.525 3.819 1.00 0.00 C ATOM 738 C LEU A 53 -0.732 6.740 3.532 1.00 0.00 C ATOM 739 O LEU A 53 -1.067 7.497 4.442 1.00 0.00 O ATOM 740 CB LEU A 53 -0.632 4.237 4.071 1.00 0.00 C ATOM 741 CG LEU A 53 -0.087 2.976 3.397 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.076 1.816 3.525 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.287 3.252 1.940 1.00 0.00 C ATOM 0 H LEU A 53 0.540 5.944 5.836 1.00 0.00 H new ATOM 0 HA LEU A 53 0.744 5.340 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.670 4.063 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.658 4.390 3.736 1.00 0.00 H new ATOM 0 HG LEU A 53 0.826 2.679 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.665 0.932 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.250 1.601 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.018 2.087 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.672 2.340 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.596 3.586 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.052 4.027 1.901 1.00 0.00 H new ATOM 755 N VAL A 54 -1.085 6.888 2.264 1.00 0.00 N ATOM 756 CA VAL A 54 -1.925 7.997 1.846 1.00 0.00 C ATOM 757 C VAL A 54 -2.950 7.499 0.825 1.00 0.00 C ATOM 758 O VAL A 54 -2.581 7.016 -0.245 1.00 0.00 O ATOM 759 CB VAL A 54 -1.057 9.139 1.313 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.913 10.200 0.618 1.00 0.00 C ATOM 761 CG2 VAL A 54 -0.218 9.759 2.433 1.00 0.00 C ATOM 0 H VAL A 54 -0.805 6.258 1.512 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.480 8.397 2.695 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.373 8.723 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.272 11.000 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.446 9.747 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.632 10.610 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.390 10.568 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.878 10.153 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.432 8.998 2.864 1.00 0.00 H new ATOM 771 N GLU A 55 -4.216 7.634 1.191 1.00 0.00 N ATOM 772 CA GLU A 55 -5.296 7.203 0.320 1.00 0.00 C ATOM 773 C GLU A 55 -5.488 8.203 -0.823 1.00 0.00 C ATOM 774 O GLU A 55 -5.574 9.407 -0.590 1.00 0.00 O ATOM 775 CB GLU A 55 -6.594 7.016 1.108 1.00 0.00 C ATOM 776 CG GLU A 55 -7.212 8.367 1.476 1.00 0.00 C ATOM 777 CD GLU A 55 -7.794 8.336 2.891 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.009 8.576 3.833 1.00 0.00 O ATOM 779 OE2 GLU A 55 -9.011 8.073 2.997 1.00 0.00 O ATOM 0 H GLU A 55 -4.518 8.036 2.079 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.027 6.238 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.303 6.437 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.394 6.445 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.455 9.148 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.996 8.619 0.762 1.00 0.00 H new ATOM 786 N CYS A 56 -5.548 7.665 -2.032 1.00 0.00 N ATOM 787 CA CYS A 56 -5.727 8.495 -3.211 1.00 0.00 C ATOM 788 C CYS A 56 -7.131 8.245 -3.766 1.00 0.00 C ATOM 789 O CYS A 56 -7.627 7.120 -3.726 1.00 0.00 O ATOM 790 CB CYS A 56 -4.645 8.231 -4.260 1.00 0.00 C ATOM 791 SG CYS A 56 -3.311 9.475 -4.110 1.00 0.00 S ATOM 0 H CYS A 56 -5.476 6.665 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.626 9.545 -2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.236 7.229 -4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.079 8.269 -5.259 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.634 9.521 -5.219 1.00 0.00 H new ATOM 797 N HIS A 57 -7.733 9.313 -4.269 1.00 0.00 N ATOM 798 CA HIS A 57 -9.070 9.223 -4.831 1.00 0.00 C ATOM 799 C HIS A 57 -9.015 9.499 -6.335 1.00 0.00 C ATOM 800 O HIS A 57 -9.089 10.650 -6.762 1.00 0.00 O ATOM 801 CB HIS A 57 -10.033 10.155 -4.093 1.00 0.00 C ATOM 802 CG HIS A 57 -10.300 9.754 -2.661 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.540 8.445 -2.282 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.360 10.502 -1.523 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.736 8.418 -0.972 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.625 9.695 -0.503 1.00 0.00 N ATOM 0 H HIS A 57 -7.319 10.245 -4.299 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.457 8.213 -4.696 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.626 11.166 -4.107 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.979 10.185 -4.634 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -10.562 7.638 -2.905 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.216 11.571 -1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.947 7.540 -0.379 1.00 0.00 H new ATOM 814 N PRO A 58 -8.880 8.394 -7.117 1.00 0.00 N ATOM 815 CA PRO A 58 -8.814 8.505 -8.564 1.00 0.00 C ATOM 816 C PRO A 58 -10.194 8.799 -9.155 1.00 0.00 C ATOM 817 O PRO A 58 -10.673 8.065 -10.019 1.00 0.00 O ATOM 818 CB PRO A 58 -8.236 7.181 -9.034 1.00 0.00 C ATOM 819 CG PRO A 58 -8.434 6.208 -7.883 1.00 0.00 C ATOM 820 CD PRO A 58 -8.789 7.015 -6.646 1.00 0.00 C ATOM 0 HA PRO A 58 -8.191 9.336 -8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.743 6.831 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.180 7.282 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.227 5.498 -8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.527 5.628 -7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.732 6.681 -6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.028 6.910 -5.873 1.00 0.00 H new ATOM 828 N HIS A 59 -10.796 9.873 -8.666 1.00 0.00 N ATOM 829 CA HIS A 59 -12.112 10.272 -9.135 1.00 0.00 C ATOM 830 C HIS A 59 -12.412 11.699 -8.670 1.00 0.00 C ATOM 831 O HIS A 59 -12.938 12.507 -9.433 1.00 0.00 O ATOM 832 CB HIS A 59 -13.176 9.267 -8.689 1.00 0.00 C ATOM 833 CG HIS A 59 -13.125 8.932 -7.218 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.960 8.551 -6.576 1.00 0.00 N ATOM 835 CD2 HIS A 59 -14.107 8.925 -6.271 1.00 0.00 C ATOM 836 CE1 HIS A 59 -12.240 8.326 -5.300 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.571 8.558 -5.113 1.00 0.00 N ATOM 0 H HIS A 59 -10.397 10.479 -7.950 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.129 10.271 -10.225 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.162 9.668 -8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.058 8.349 -9.265 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.145 9.176 -6.435 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.537 8.014 -4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.072 8.465 -4.229 1.00 0.00 H new ATOM 845 N LEU A 60 -12.063 11.965 -7.420 1.00 0.00 N ATOM 846 CA LEU A 60 -12.288 13.279 -6.844 1.00 0.00 C ATOM 847 C LEU A 60 -10.971 14.058 -6.830 1.00 0.00 C ATOM 848 O LEU A 60 -10.940 15.226 -6.446 1.00 0.00 O ATOM 849 CB LEU A 60 -12.944 13.156 -5.467 1.00 0.00 C ATOM 850 CG LEU A 60 -13.736 11.872 -5.214 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.372 11.885 -3.822 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.772 11.641 -6.315 1.00 0.00 C ATOM 0 H LEU A 60 -11.626 11.292 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.989 13.847 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.166 13.235 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.613 14.005 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.042 11.032 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.929 10.961 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.591 11.968 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.049 12.735 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.321 10.722 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.467 12.480 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.267 11.556 -7.277 1.00 0.00 H new ATOM 864 N ALA A 61 -9.916 13.379 -7.255 1.00 0.00 N ATOM 865 CA ALA A 61 -8.599 13.993 -7.297 1.00 0.00 C ATOM 866 C ALA A 61 -8.255 14.546 -5.912 1.00 0.00 C ATOM 867 O ALA A 61 -7.881 15.711 -5.781 1.00 0.00 O ATOM 868 CB ALA A 61 -8.573 15.073 -8.380 1.00 0.00 C ATOM 0 H ALA A 61 -9.946 12.410 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.839 13.255 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.585 15.533 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.795 14.623 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.321 15.833 -8.154 1.00 0.00 H new ATOM 874 N LEU A 62 -8.393 13.685 -4.915 1.00 0.00 N ATOM 875 CA LEU A 62 -8.102 14.073 -3.545 1.00 0.00 C ATOM 876 C LEU A 62 -6.963 13.205 -3.005 1.00 0.00 C ATOM 877 O LEU A 62 -6.657 12.156 -3.569 1.00 0.00 O ATOM 878 CB LEU A 62 -9.371 14.023 -2.693 1.00 0.00 C ATOM 879 CG LEU A 62 -9.756 15.325 -1.986 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.166 16.397 -2.997 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.843 15.079 -0.938 1.00 0.00 C ATOM 0 H LEU A 62 -8.703 12.720 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.761 15.108 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.201 13.720 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.248 13.246 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.879 15.699 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.435 17.312 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.334 16.599 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.022 16.046 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.098 16.020 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.729 14.669 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.477 14.372 -0.193 1.00 0.00 H new ATOM 893 N GLU A 63 -6.367 13.676 -1.919 1.00 0.00 N ATOM 894 CA GLU A 63 -5.270 12.956 -1.297 1.00 0.00 C ATOM 895 C GLU A 63 -5.323 13.117 0.224 1.00 0.00 C ATOM 896 O GLU A 63 -5.030 14.190 0.749 1.00 0.00 O ATOM 897 CB GLU A 63 -3.922 13.424 -1.850 1.00 0.00 C ATOM 898 CG GLU A 63 -3.706 12.909 -3.275 1.00 0.00 C ATOM 899 CD GLU A 63 -3.769 14.055 -4.287 1.00 0.00 C ATOM 900 OE1 GLU A 63 -3.282 15.151 -3.936 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.303 13.808 -5.390 1.00 0.00 O ATOM 0 H GLU A 63 -6.623 14.547 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.376 11.898 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.880 14.513 -1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.118 13.070 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.739 12.412 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.465 12.164 -3.515 1.00 0.00 H new ATOM 908 N ARG A 64 -5.700 12.035 0.889 1.00 0.00 N ATOM 909 CA ARG A 64 -5.796 12.043 2.338 1.00 0.00 C ATOM 910 C ARG A 64 -4.825 11.025 2.940 1.00 0.00 C ATOM 911 O ARG A 64 -4.645 9.937 2.397 1.00 0.00 O ATOM 912 CB ARG A 64 -7.218 11.713 2.798 1.00 0.00 C ATOM 913 CG ARG A 64 -7.325 11.755 4.324 1.00 0.00 C ATOM 914 CD ARG A 64 -8.578 11.022 4.806 1.00 0.00 C ATOM 915 NE ARG A 64 -9.766 11.890 4.644 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.095 12.877 5.489 1.00 0.00 C ATOM 917 NH1 ARG A 64 -9.328 13.127 6.559 1.00 0.00 N ATOM 918 NH2 ARG A 64 -11.191 13.614 5.263 1.00 0.00 N ATOM 0 H ARG A 64 -5.943 11.147 0.450 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.538 13.045 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.919 12.424 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.500 10.724 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.440 11.299 4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.353 12.791 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.711 10.100 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.464 10.739 5.852 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.372 11.727 3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.494 12.566 6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.579 13.878 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.774 13.424 4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.442 14.365 5.906 1.00 0.00 H new ATOM 932 N GLY A 65 -4.224 11.416 4.055 1.00 0.00 N ATOM 933 CA GLY A 65 -3.276 10.552 4.737 1.00 0.00 C ATOM 934 C GLY A 65 -3.875 9.989 6.027 1.00 0.00 C ATOM 935 O GLY A 65 -4.415 10.736 6.842 1.00 0.00 O ATOM 0 H GLY A 65 -4.376 12.320 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.987 9.733 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.369 11.111 4.967 1.00 0.00 H new ATOM 939 N LEU A 66 -3.760 8.678 6.172 1.00 0.00 N ATOM 940 CA LEU A 66 -4.285 8.006 7.350 1.00 0.00 C ATOM 941 C LEU A 66 -3.129 7.661 8.291 1.00 0.00 C ATOM 942 O LEU A 66 -1.974 7.614 7.871 1.00 0.00 O ATOM 943 CB LEU A 66 -5.131 6.798 6.945 1.00 0.00 C ATOM 944 CG LEU A 66 -4.473 5.813 5.976 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.826 4.369 6.339 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.835 6.145 4.527 1.00 0.00 C ATOM 0 H LEU A 66 -3.311 8.062 5.494 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.957 8.666 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.411 6.256 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.054 7.161 6.492 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.392 5.913 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.346 3.689 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.477 4.152 7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.907 4.236 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.355 5.430 3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.916 6.090 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.492 7.152 4.288 1.00 0.00 H new ATOM 958 N GLU A 67 -3.481 7.428 9.548 1.00 0.00 N ATOM 959 CA GLU A 67 -2.487 7.089 10.552 1.00 0.00 C ATOM 960 C GLU A 67 -1.873 5.720 10.250 1.00 0.00 C ATOM 961 O GLU A 67 -2.209 5.093 9.247 1.00 0.00 O ATOM 962 CB GLU A 67 -3.095 7.119 11.956 1.00 0.00 C ATOM 963 CG GLU A 67 -2.973 8.513 12.576 1.00 0.00 C ATOM 964 CD GLU A 67 -3.310 8.481 14.068 1.00 0.00 C ATOM 965 OE1 GLU A 67 -2.425 8.055 14.841 1.00 0.00 O ATOM 966 OE2 GLU A 67 -4.446 8.882 14.402 1.00 0.00 O ATOM 0 H GLU A 67 -4.440 7.467 9.893 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.694 7.836 10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.145 6.829 11.908 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.591 6.390 12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.960 8.890 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.643 9.203 12.063 1.00 0.00 H new ATOM 973 N ASP A 68 -0.984 5.298 11.136 1.00 0.00 N ATOM 974 CA ASP A 68 -0.320 4.015 10.977 1.00 0.00 C ATOM 975 C ASP A 68 -1.217 2.908 11.535 1.00 0.00 C ATOM 976 O ASP A 68 -1.455 1.902 10.869 1.00 0.00 O ATOM 977 CB ASP A 68 1.004 3.982 11.743 1.00 0.00 C ATOM 978 CG ASP A 68 1.582 5.354 12.096 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.593 6.215 11.190 1.00 0.00 O ATOM 980 OD2 ASP A 68 1.999 5.510 13.264 1.00 0.00 O ATOM 0 H ASP A 68 -0.708 5.821 11.967 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.126 3.865 9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.859 3.418 12.664 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.737 3.438 11.148 1.00 0.00 H new ATOM 985 N HIS A 69 -1.690 3.132 12.753 1.00 0.00 N ATOM 986 CA HIS A 69 -2.556 2.166 13.408 1.00 0.00 C ATOM 987 C HIS A 69 -3.824 1.966 12.576 1.00 0.00 C ATOM 988 O HIS A 69 -4.452 0.910 12.640 1.00 0.00 O ATOM 989 CB HIS A 69 -2.852 2.591 14.848 1.00 0.00 C ATOM 990 CG HIS A 69 -3.964 3.605 14.972 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.729 4.958 15.145 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.319 3.450 14.945 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.897 5.580 15.219 1.00 0.00 C ATOM 994 NE2 HIS A 69 -5.881 4.643 15.095 1.00 0.00 N ATOM 0 H HIS A 69 -1.490 3.968 13.303 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.050 1.203 13.472 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.113 1.707 15.431 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.945 3.006 15.287 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.845 2.515 14.822 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.044 6.641 15.354 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.884 4.829 15.114 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.162 2.995 11.814 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.343 2.946 10.970 1.00 0.00 C ATOM 1004 C GLU A 70 -5.335 1.674 10.119 1.00 0.00 C ATOM 1005 O GLU A 70 -4.330 1.352 9.487 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.442 4.194 10.090 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.094 5.350 10.850 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.599 5.122 11.008 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.292 5.164 9.969 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.022 4.912 12.165 1.00 0.00 O ATOM 0 H GLU A 70 -3.638 3.869 11.763 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.223 2.925 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.447 4.488 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.023 3.968 9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.633 5.450 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.918 6.285 10.318 1.00 0.00 H new ATOM 1017 N SER A 71 -6.467 0.985 10.130 1.00 0.00 N ATOM 1018 CA SER A 71 -6.602 -0.244 9.367 1.00 0.00 C ATOM 1019 C SER A 71 -6.808 0.080 7.886 1.00 0.00 C ATOM 1020 O SER A 71 -7.869 0.561 7.493 1.00 0.00 O ATOM 1021 CB SER A 71 -7.763 -1.092 9.891 1.00 0.00 C ATOM 1022 OG SER A 71 -7.317 -2.124 10.767 1.00 0.00 O ATOM 0 H SER A 71 -7.299 1.255 10.655 1.00 0.00 H new ATOM 0 HA SER A 71 -5.685 -0.821 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.472 -0.452 10.416 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.297 -1.535 9.050 1.00 0.00 H new ATOM 0 HG SER A 71 -8.087 -2.642 11.081 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.775 -0.198 7.104 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.829 0.057 5.674 1.00 0.00 C ATOM 1030 C VAL A 72 -7.150 -0.476 5.115 1.00 0.00 C ATOM 1031 O VAL A 72 -7.790 0.179 4.295 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.602 -0.547 4.988 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.424 0.429 5.014 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.220 -1.885 5.625 1.00 0.00 C ATOM 0 H VAL A 72 -4.896 -0.597 7.433 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.801 1.128 5.476 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.859 -0.734 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.565 -0.025 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.700 1.346 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.167 0.662 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.345 -2.292 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.991 -1.734 6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.052 -2.583 5.531 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.518 -1.661 5.581 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.750 -2.290 5.137 1.00 0.00 C ATOM 1046 C VAL A 73 -9.941 -1.436 5.579 1.00 0.00 C ATOM 1047 O VAL A 73 -10.662 -0.892 4.745 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.820 -3.727 5.655 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.152 -4.381 5.281 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.640 -4.554 5.140 1.00 0.00 C ATOM 0 H VAL A 73 -6.984 -2.202 6.262 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.778 -2.350 4.049 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.757 -3.694 6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.175 -5.402 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.972 -3.812 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.258 -4.395 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.714 -5.572 5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.658 -4.574 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.706 -4.106 5.479 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.109 -1.346 6.890 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.199 -0.568 7.453 1.00 0.00 C ATOM 1062 C GLU A 74 -11.262 0.812 6.796 1.00 0.00 C ATOM 1063 O GLU A 74 -12.314 1.449 6.780 1.00 0.00 O ATOM 1064 CB GLU A 74 -11.059 -0.446 8.972 1.00 0.00 C ATOM 1065 CG GLU A 74 -11.314 -1.791 9.656 1.00 0.00 C ATOM 1066 CD GLU A 74 -12.115 -1.606 10.946 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -11.487 -1.213 11.953 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -13.338 -1.862 10.897 1.00 0.00 O ATOM 0 H GLU A 74 -9.508 -1.799 7.579 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.134 -1.089 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.059 -0.091 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.764 0.296 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.856 -2.451 8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.364 -2.275 9.880 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.121 1.233 6.269 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.033 2.526 5.611 1.00 0.00 C ATOM 1077 C VAL A 75 -10.402 2.368 4.135 1.00 0.00 C ATOM 1078 O VAL A 75 -11.132 3.190 3.582 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.641 3.125 5.819 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.529 4.498 5.153 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.297 3.208 7.308 1.00 0.00 C ATOM 0 H VAL A 75 -9.250 0.702 6.284 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.743 3.227 6.050 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.917 2.463 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.530 4.901 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.710 4.399 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.268 5.173 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.302 3.637 7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.028 3.838 7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.316 2.208 7.742 1.00 0.00 H new ATOM 1091 N GLN A 76 -9.880 1.307 3.537 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.146 1.031 2.136 1.00 0.00 C ATOM 1093 C GLN A 76 -11.557 0.467 1.963 1.00 0.00 C ATOM 1094 O GLN A 76 -12.029 0.297 0.840 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.099 0.076 1.557 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.550 -1.379 1.694 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.383 -2.340 1.457 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -7.467 -2.454 2.255 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.467 -3.022 0.318 1.00 0.00 N ATOM 0 H GLN A 76 -9.274 0.628 3.998 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.081 1.968 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.929 0.311 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.149 0.216 2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.964 -1.543 2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.347 -1.585 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.262 -2.878 -0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.737 -3.689 0.068 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.193 0.193 3.093 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.541 -0.348 3.081 1.00 0.00 C ATOM 1110 C ALA A 77 -14.547 0.803 3.017 1.00 0.00 C ATOM 1111 O ALA A 77 -15.606 0.673 2.405 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.747 -1.234 4.311 1.00 0.00 C ATOM 0 H ALA A 77 -11.799 0.336 4.023 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.696 -0.971 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.759 -1.640 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.027 -2.053 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.602 -0.642 5.214 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.181 1.903 3.658 1.00 0.00 N ATOM 1119 CA ALA A 78 -15.039 3.076 3.682 1.00 0.00 C ATOM 1120 C ALA A 78 -15.138 3.658 2.271 1.00 0.00 C ATOM 1121 O ALA A 78 -16.169 4.215 1.896 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.494 4.087 4.693 1.00 0.00 C ATOM 0 H ALA A 78 -13.302 2.007 4.165 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.047 2.808 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -15.137 4.967 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.471 3.634 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.485 4.382 4.405 1.00 0.00 H new ATOM 1128 N TRP A 79 -14.052 3.510 1.526 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.003 4.014 0.164 1.00 0.00 C ATOM 1130 C TRP A 79 -15.313 3.632 -0.528 1.00 0.00 C ATOM 1131 O TRP A 79 -15.829 2.534 -0.325 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.766 3.495 -0.569 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.441 3.982 0.022 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.249 4.955 0.923 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.125 3.477 -0.285 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.910 5.113 1.218 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.205 4.186 0.460 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.725 2.454 -1.163 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.826 3.948 0.403 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.344 2.229 -1.208 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.404 2.934 -0.465 1.00 0.00 C ATOM 0 H TRP A 79 -13.199 3.048 1.840 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.909 5.100 0.158 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.779 2.405 -0.555 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.820 3.801 -1.614 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.042 5.542 1.363 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.511 5.786 1.872 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.428 1.887 -1.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.126 4.516 0.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.983 1.453 -1.867 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.354 2.701 -0.557 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.827 4.584 -1.353 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.066 4.358 -2.076 1.00 0.00 C ATOM 1154 C PRO A 80 -16.848 3.406 -3.254 1.00 0.00 C ATOM 1155 O PRO A 80 -15.713 3.043 -3.561 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.528 5.741 -2.508 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.303 6.636 -2.416 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.243 5.896 -1.617 1.00 0.00 C ATOM 0 HA PRO A 80 -17.826 3.871 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.922 5.722 -3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.327 6.105 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.931 6.877 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.555 7.580 -1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.313 5.810 -2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.009 6.419 -0.690 1.00 0.00 H new ATOM 1166 N VAL A 81 -17.952 3.029 -3.882 1.00 0.00 N ATOM 1167 CA VAL A 81 -17.896 2.127 -5.019 1.00 0.00 C ATOM 1168 C VAL A 81 -17.617 2.932 -6.290 1.00 0.00 C ATOM 1169 O VAL A 81 -18.183 4.006 -6.486 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.185 1.308 -5.101 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.379 2.198 -5.452 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.043 0.161 -6.105 1.00 0.00 C ATOM 0 H VAL A 81 -18.891 3.332 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.081 1.413 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.368 0.873 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.283 1.591 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.500 2.964 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.206 2.675 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.973 -0.406 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.824 0.567 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.231 -0.496 -5.794 1.00 0.00 H new ATOM 1182 N GLY A 82 -16.744 2.381 -7.122 1.00 0.00 N ATOM 1183 CA GLY A 82 -16.383 3.034 -8.368 1.00 0.00 C ATOM 1184 C GLY A 82 -15.144 3.913 -8.188 1.00 0.00 C ATOM 1185 O GLY A 82 -14.238 3.894 -9.020 1.00 0.00 O ATOM 0 H GLY A 82 -16.277 1.490 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.192 2.283 -9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.217 3.642 -8.719 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.144 4.663 -7.096 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.031 5.548 -6.796 1.00 0.00 C ATOM 1191 C GLY A 83 -12.696 4.886 -7.142 1.00 0.00 C ATOM 1192 O GLY A 83 -11.790 5.539 -7.657 1.00 0.00 O ATOM 0 H GLY A 83 -15.897 4.676 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.138 6.476 -7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.047 5.812 -5.739 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.616 3.597 -6.845 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.407 2.839 -7.118 1.00 0.00 C ATOM 1198 C ASP A 84 -10.236 3.463 -6.356 1.00 0.00 C ATOM 1199 O ASP A 84 -9.131 3.568 -6.887 1.00 0.00 O ATOM 1200 CB ASP A 84 -11.067 2.863 -8.610 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.945 1.969 -9.487 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -13.101 1.730 -9.077 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -11.440 1.544 -10.549 1.00 0.00 O ATOM 0 H ASP A 84 -13.369 3.058 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.576 1.809 -6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.146 3.889 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.027 2.561 -8.735 1.00 0.00 H new ATOM 1208 N SER A 85 -10.518 3.860 -5.124 1.00 0.00 N ATOM 1209 CA SER A 85 -9.502 4.471 -4.284 1.00 0.00 C ATOM 1210 C SER A 85 -8.341 3.497 -4.074 1.00 0.00 C ATOM 1211 O SER A 85 -8.526 2.282 -4.137 1.00 0.00 O ATOM 1212 CB SER A 85 -10.086 4.899 -2.936 1.00 0.00 C ATOM 1213 OG SER A 85 -10.874 6.080 -3.046 1.00 0.00 O ATOM 0 H SER A 85 -11.435 3.771 -4.687 1.00 0.00 H new ATOM 0 HA SER A 85 -9.132 5.363 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.697 4.092 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.275 5.069 -2.227 1.00 0.00 H new ATOM 0 HG SER A 85 -11.441 6.170 -2.252 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.169 4.065 -3.830 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.979 3.262 -3.612 1.00 0.00 C ATOM 1221 C ARG A 86 -5.100 3.898 -2.532 1.00 0.00 C ATOM 1222 O ARG A 86 -5.479 4.903 -1.931 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.167 3.118 -4.900 1.00 0.00 C ATOM 1224 CG ARG A 86 -5.022 4.465 -5.611 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.550 4.863 -5.737 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.163 4.924 -7.165 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.576 5.873 -8.015 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -4.392 6.847 -7.588 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -3.174 5.849 -9.293 1.00 0.00 N ATOM 0 H ARG A 86 -7.019 5.073 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.302 2.273 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.180 2.717 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.654 2.403 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.473 4.408 -6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.564 5.232 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.385 5.832 -5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.923 4.142 -5.212 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.543 4.198 -7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.699 6.866 -6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.706 7.570 -8.236 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.553 5.108 -9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.489 6.572 -9.940 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.944 3.287 -2.319 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.009 3.781 -1.323 1.00 0.00 C ATOM 1245 C PHE A 87 -1.706 4.245 -1.976 1.00 0.00 C ATOM 1246 O PHE A 87 -1.221 3.618 -2.917 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.706 2.617 -0.378 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.787 2.373 0.677 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -3.944 3.249 1.705 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.592 1.281 0.585 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.947 3.023 2.684 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.596 1.055 1.564 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.752 1.930 2.593 1.00 0.00 C ATOM 0 H PHE A 87 -3.634 2.454 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.442 4.631 -0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.576 1.709 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.758 2.809 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.305 4.117 1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.468 0.586 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.071 3.719 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.236 0.188 1.491 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.515 1.757 3.338 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.176 5.341 -1.453 1.00 0.00 N ATOM 1264 CA VAL A 88 0.062 5.896 -1.973 1.00 0.00 C ATOM 1265 C VAL A 88 1.084 6.005 -0.840 1.00 0.00 C ATOM 1266 O VAL A 88 0.778 6.533 0.228 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.213 7.235 -2.661 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.086 7.874 -3.156 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.213 7.067 -3.806 1.00 0.00 C ATOM 0 H VAL A 88 -1.582 5.860 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 88 0.487 5.237 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.656 7.906 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.862 8.824 -3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.752 8.046 -2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.570 7.208 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.391 8.033 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.810 6.372 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.152 6.676 -3.414 1.00 0.00 H new ATOM 1279 N PHE A 89 2.277 5.497 -1.110 1.00 0.00 N ATOM 1280 CA PHE A 89 3.346 5.531 -0.127 1.00 0.00 C ATOM 1281 C PHE A 89 4.196 6.793 -0.283 1.00 0.00 C ATOM 1282 O PHE A 89 4.825 6.998 -1.320 1.00 0.00 O ATOM 1283 CB PHE A 89 4.225 4.304 -0.379 1.00 0.00 C ATOM 1284 CG PHE A 89 5.189 3.984 0.765 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.751 4.011 2.052 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.485 3.672 0.495 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.646 3.714 3.114 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.380 3.375 1.557 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.942 3.402 2.844 1.00 0.00 C ATOM 0 H PHE A 89 2.527 5.059 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 89 2.926 5.531 0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.584 3.440 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.800 4.463 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.722 4.258 2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.834 3.650 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.297 3.736 4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.409 3.128 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.623 3.176 3.651 1.00 0.00 H new ATOM 1299 N ARG A 90 4.186 7.608 0.762 1.00 0.00 N ATOM 1300 CA ARG A 90 4.948 8.845 0.754 1.00 0.00 C ATOM 1301 C ARG A 90 5.350 9.230 2.179 1.00 0.00 C ATOM 1302 O ARG A 90 4.600 8.995 3.125 1.00 0.00 O ATOM 1303 CB ARG A 90 4.139 9.986 0.134 1.00 0.00 C ATOM 1304 CG ARG A 90 2.725 10.034 0.715 1.00 0.00 C ATOM 1305 CD ARG A 90 1.740 10.640 -0.287 1.00 0.00 C ATOM 1306 NE ARG A 90 2.095 12.052 -0.555 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.651 12.752 -1.608 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.833 12.175 -2.499 1.00 0.00 N ATOM 1309 NH2 ARG A 90 2.025 14.028 -1.770 1.00 0.00 N ATOM 0 H ARG A 90 3.662 7.436 1.620 1.00 0.00 H new ATOM 0 HA ARG A 90 5.842 8.680 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.643 10.935 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.088 9.855 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.404 9.027 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.725 10.623 1.632 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.756 10.070 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.725 10.580 0.106 1.00 0.00 H new ATOM 0 HE ARG A 90 2.717 12.522 0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.548 11.203 -2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.495 12.708 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.648 14.467 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.687 14.561 -2.572 1.00 0.00 H new ATOM 1323 N LYS A 91 6.534 9.815 2.288 1.00 0.00 N ATOM 1324 CA LYS A 91 7.045 10.235 3.581 1.00 0.00 C ATOM 1325 C LYS A 91 6.682 11.703 3.816 1.00 0.00 C ATOM 1326 O LYS A 91 6.342 12.091 4.933 1.00 0.00 O ATOM 1327 CB LYS A 91 8.545 9.949 3.684 1.00 0.00 C ATOM 1328 CG LYS A 91 9.312 10.635 2.552 1.00 0.00 C ATOM 1329 CD LYS A 91 10.819 10.607 2.817 1.00 0.00 C ATOM 1330 CE LYS A 91 11.586 10.147 1.575 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.374 11.264 1.008 1.00 0.00 N ATOM 0 H LYS A 91 7.154 10.008 1.501 1.00 0.00 H new ATOM 0 HA LYS A 91 6.578 9.658 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.920 10.298 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.717 8.873 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.096 10.137 1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.975 11.667 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.159 11.600 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.033 9.937 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.249 9.322 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.887 9.771 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.888 10.934 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.735 12.040 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.054 11.604 1.717 1.00 0.00 H new ATOM 1345 N ASN A 92 6.767 12.479 2.746 1.00 0.00 N ATOM 1346 CA ASN A 92 6.451 13.895 2.822 1.00 0.00 C ATOM 1347 C ASN A 92 5.199 14.180 1.989 1.00 0.00 C ATOM 1348 O ASN A 92 5.279 14.322 0.770 1.00 0.00 O ATOM 1349 CB ASN A 92 7.594 14.745 2.262 1.00 0.00 C ATOM 1350 CG ASN A 92 8.060 15.780 3.288 1.00 0.00 C ATOM 1351 OD1 ASN A 92 7.884 15.629 4.485 1.00 0.00 O ATOM 1352 ND2 ASN A 92 8.664 16.837 2.753 1.00 0.00 N ATOM 0 H ASN A 92 7.050 12.154 1.822 1.00 0.00 H new ATOM 0 HA ASN A 92 6.292 14.149 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.429 14.101 1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.265 15.250 1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.012 17.584 3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.779 16.901 1.742 1.00 0.00 H new ATOM 1359 N PHE A 93 4.072 14.254 2.681 1.00 0.00 N ATOM 1360 CA PHE A 93 2.805 14.519 2.021 1.00 0.00 C ATOM 1361 C PHE A 93 2.127 15.757 2.611 1.00 0.00 C ATOM 1362 O PHE A 93 2.505 16.223 3.685 1.00 0.00 O ATOM 1363 CB PHE A 93 1.911 13.300 2.262 1.00 0.00 C ATOM 1364 CG PHE A 93 0.937 13.464 3.430 1.00 0.00 C ATOM 1365 CD1 PHE A 93 1.402 13.814 4.660 1.00 0.00 C ATOM 1366 CD2 PHE A 93 -0.394 13.261 3.239 1.00 0.00 C ATOM 1367 CE1 PHE A 93 0.497 13.966 5.744 1.00 0.00 C ATOM 1368 CE2 PHE A 93 -1.299 13.413 4.323 1.00 0.00 C ATOM 1369 CZ PHE A 93 -0.834 13.763 5.552 1.00 0.00 C ATOM 0 H PHE A 93 4.010 14.135 3.692 1.00 0.00 H new ATOM 0 HA PHE A 93 2.970 14.699 0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.343 13.094 1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.542 12.431 2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.459 13.976 4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.763 12.984 2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.866 14.243 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.356 13.251 4.171 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.522 13.880 6.376 1.00 0.00 H new ATOM 1379 N ALA A 94 1.139 16.255 1.883 1.00 0.00 N ATOM 1380 CA ALA A 94 0.405 17.431 2.321 1.00 0.00 C ATOM 1381 C ALA A 94 -0.099 17.209 3.748 1.00 0.00 C ATOM 1382 O ALA A 94 -0.519 16.108 4.098 1.00 0.00 O ATOM 1383 CB ALA A 94 -0.732 17.718 1.338 1.00 0.00 C ATOM 0 H ALA A 94 0.829 15.866 0.992 1.00 0.00 H new ATOM 0 HA ALA A 94 1.054 18.307 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.283 18.600 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.318 17.897 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.406 16.862 1.301 1.00 0.00 H new ATOM 1389 N SER A 95 -0.041 18.275 4.534 1.00 0.00 N ATOM 1390 CA SER A 95 -0.487 18.211 5.915 1.00 0.00 C ATOM 1391 C SER A 95 -1.250 19.486 6.279 1.00 0.00 C ATOM 1392 O SER A 95 -0.644 20.499 6.623 1.00 0.00 O ATOM 1393 CB SER A 95 0.694 18.009 6.867 1.00 0.00 C ATOM 1394 OG SER A 95 0.903 16.634 7.174 1.00 0.00 O ATOM 0 H SER A 95 0.308 19.187 4.240 1.00 0.00 H new ATOM 0 HA SER A 95 -1.153 17.355 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.597 18.421 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.516 18.563 7.789 1.00 0.00 H new ATOM 0 HG SER A 95 0.630 16.083 6.411 1.00 0.00 H new ATOM 1400 N GLY A 96 -2.569 19.395 6.189 1.00 0.00 N ATOM 1401 CA GLY A 96 -3.421 20.529 6.504 1.00 0.00 C ATOM 1402 C GLY A 96 -4.892 20.114 6.548 1.00 0.00 C ATOM 1403 O GLY A 96 -5.277 19.112 5.947 1.00 0.00 O ATOM 0 H GLY A 96 -3.068 18.553 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.130 20.951 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.282 21.311 5.757 1.00 0.00 H new ATOM 1407 N PRO A 97 -5.697 20.926 7.285 1.00 0.00 N ATOM 1408 CA PRO A 97 -7.118 20.653 7.415 1.00 0.00 C ATOM 1409 C PRO A 97 -7.867 21.018 6.132 1.00 0.00 C ATOM 1410 O PRO A 97 -8.593 20.194 5.577 1.00 0.00 O ATOM 1411 CB PRO A 97 -7.567 21.470 8.616 1.00 0.00 C ATOM 1412 CG PRO A 97 -6.492 22.524 8.829 1.00 0.00 C ATOM 1413 CD PRO A 97 -5.277 22.122 8.010 1.00 0.00 C ATOM 0 HA PRO A 97 -7.330 19.595 7.567 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -8.537 21.933 8.433 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.676 20.840 9.498 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.853 23.505 8.520 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.233 22.597 9.885 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.981 22.917 7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.419 21.916 8.650 1.00 0.00 H new ATOM 1421 N SER A 98 -7.664 22.253 5.697 1.00 0.00 N ATOM 1422 CA SER A 98 -8.311 22.737 4.489 1.00 0.00 C ATOM 1423 C SER A 98 -9.826 22.791 4.692 1.00 0.00 C ATOM 1424 O SER A 98 -10.362 22.123 5.576 1.00 0.00 O ATOM 1425 CB SER A 98 -7.968 21.852 3.289 1.00 0.00 C ATOM 1426 OG SER A 98 -7.721 22.619 2.113 1.00 0.00 O ATOM 0 H SER A 98 -7.061 22.933 6.159 1.00 0.00 H new ATOM 0 HA SER A 98 -7.943 23.742 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.089 21.251 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.788 21.158 3.104 1.00 0.00 H new ATOM 0 HG SER A 98 -7.504 22.018 1.370 1.00 0.00 H new ATOM 1432 N SER A 99 -10.475 23.593 3.860 1.00 0.00 N ATOM 1433 CA SER A 99 -11.918 23.743 3.938 1.00 0.00 C ATOM 1434 C SER A 99 -12.565 23.256 2.640 1.00 0.00 C ATOM 1435 O SER A 99 -12.717 24.024 1.691 1.00 0.00 O ATOM 1436 CB SER A 99 -12.306 25.197 4.212 1.00 0.00 C ATOM 1437 OG SER A 99 -13.618 25.305 4.759 1.00 0.00 O ATOM 0 H SER A 99 -10.028 24.146 3.129 1.00 0.00 H new ATOM 0 HA SER A 99 -12.281 23.136 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.588 25.640 4.902 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.251 25.768 3.285 1.00 0.00 H new ATOM 0 HG SER A 99 -13.828 26.248 4.922 1.00 0.00 H new ATOM 1443 N GLY A 100 -12.929 21.982 2.640 1.00 0.00 N ATOM 1444 CA GLY A 100 -13.557 21.383 1.474 1.00 0.00 C ATOM 1445 C GLY A 100 -13.950 19.930 1.748 1.00 0.00 C ATOM 1446 O GLY A 100 -13.146 19.152 2.260 1.00 0.00 O ATOM 0 H GLY A 100 -12.801 21.348 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.442 21.957 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.873 21.425 0.626 1.00 0.00 H new TER 1450 GLY A 100