USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1051 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 63 MET CE :methyl -144:sc= -4.2! (180deg=-5.08) USER MOD Set 1.2: A 151 THR OG1 : rot -80:sc= -0.603 USER MOD Set 2.1: A 132 HIS :FLIP no HE2:sc= -1.07 F(o=-1.3!,f=-0.19) USER MOD Set 2.2: A 135 THR OG1 : rot 164:sc= 0.881 USER MOD Set 3.1: A 93 MET CE :methyl 150:sc= -1.93 (180deg=-5.26!) USER MOD Set 3.2: A 110 MET CE :methyl -116:sc= -4.12! (180deg=-6.3!) USER MOD Set 4.1: A 41 GLN : amide:sc= -1.89! K(o=-0.81!,f=-5) USER MOD Set 4.2: A 84 LYS NZ :NH3+ -176:sc= 1.08 (180deg=0) USER MOD Set 5.1: A 72 ASN : amide:sc= -3.6! C(o=-3.3!,f=-8.9!) USER MOD Set 5.2: A 114 LYS NZ :NH3+ -164:sc= 0.252 (180deg=0.146) USER MOD Set 6.1: A 65 SER OG : rot 72:sc= 1.82 USER MOD Set 6.2: A 67 HIS : no HD1:sc= -0.228 K(o=1.7,f=-0.68!) USER MOD Set 6.3: A 111 THR OG1 : rot -114:sc= 0.132 USER MOD Set 7.1: A 45 LYS NZ :NH3+ 163:sc= 0.325 (180deg=-0.0337) USER MOD Set 7.2: A 146 SER OG : rot -21:sc= 1.56 USER MOD Set 8.1: A 35 SER OG : rot 120:sc= 0.0711 USER MOD Set 8.2: A 154 LYS NZ :NH3+ 150:sc= 1.01 (180deg=1.01) USER MOD Set 9.1: A 26 SER OG : rot 180:sc= -0.197 USER MOD Set 9.2: A 27 SER OG : rot 180:sc= 0.0925 USER MOD Set 9.3: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 164:sc= -0.0759 (180deg=-0.44) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 37 TYR OH : rot -151:sc= 0.29 USER MOD Single : A 48 SER OG : rot -74:sc= 1.2 USER MOD Single : A 54 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.7) USER MOD Single : A 55 GLN : amide:sc= -3.34 K(o=-3.3,f=-3.9!) USER MOD Single : A 57 THR OG1 : rot 3:sc= -1.09 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.293 F(o=-1.8!,f=-0.29) USER MOD Single : A 68 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.44) USER MOD Single : A 78 THR OG1 : rot 177:sc= 1.45 USER MOD Single : A 80 LYS NZ :NH3+ 144:sc= 0.686 (180deg=-0.833!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc=-0.00868 X(o=-0.0087,f=-0.0087) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.419 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -149:sc= 0.975 (180deg=0.233) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 108 SER OG : rot 118:sc= 1.12 USER MOD Single : A 109 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.6) USER MOD Single : A 116 THR OG1 : rot 134:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= -2.08! C(o=-2.1!,f=-7!) USER MOD Single : A 127 THR OG1 : rot -98:sc= 0.449 USER MOD Single : A 134 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0292) USER MOD Single : A 139 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.09) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 ASN :FLIP amide:sc= -1.49 F(o=-4.1!,f=-1.5) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 129:sc= 1.01 USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 166:sc= -0.0339 (180deg=-0.234) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 22 -4.123 -20.834 3.563 1.00 0.00 N ATOM 2 CA MET A 22 -4.316 -21.319 4.935 1.00 0.00 C ATOM 3 C MET A 22 -4.545 -20.145 5.890 1.00 0.00 C ATOM 4 O MET A 22 -5.661 -19.911 6.322 1.00 0.00 O ATOM 5 CB MET A 22 -3.119 -22.165 5.383 1.00 0.00 C ATOM 6 CG MET A 22 -3.266 -22.784 6.765 1.00 0.00 C ATOM 7 SD MET A 22 -4.656 -23.929 6.883 1.00 0.00 S ATOM 8 CE MET A 22 -4.170 -25.210 5.716 1.00 0.00 C ATOM 0 HA MET A 22 -5.202 -21.953 4.956 1.00 0.00 H new ATOM 0 HB2 MET A 22 -2.961 -22.962 4.657 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.225 -21.542 5.371 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.346 -23.311 7.020 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.394 -21.990 7.501 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.771 -26.104 5.886 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.329 -24.854 4.698 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.116 -25.449 5.857 1.00 0.00 H new ATOM 20 N ASP A 23 -3.492 -19.400 6.201 1.00 0.00 N ATOM 21 CA ASP A 23 -3.610 -18.215 7.065 1.00 0.00 C ATOM 22 C ASP A 23 -3.961 -17.076 6.171 1.00 0.00 C ATOM 23 O ASP A 23 -4.863 -16.269 6.434 1.00 0.00 O ATOM 24 CB ASP A 23 -2.284 -17.891 7.791 1.00 0.00 C ATOM 25 CG ASP A 23 -1.677 -19.070 8.516 1.00 0.00 C ATOM 26 OD1 ASP A 23 -2.156 -19.439 9.592 1.00 0.00 O ATOM 27 OD2 ASP A 23 -0.684 -19.642 8.012 1.00 0.00 O ATOM 0 H ASP A 23 -2.545 -19.588 5.872 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.362 -18.396 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.565 -17.516 7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.460 -17.089 8.507 1.00 0.00 H new ATOM 32 N CYS A 24 -3.232 -17.028 5.121 1.00 0.00 N ATOM 33 CA CYS A 24 -3.428 -16.123 4.060 1.00 0.00 C ATOM 34 C CYS A 24 -4.186 -16.845 2.938 1.00 0.00 C ATOM 35 O CYS A 24 -4.061 -18.069 2.802 1.00 0.00 O ATOM 36 CB CYS A 24 -2.077 -15.649 3.572 1.00 0.00 C ATOM 37 SG CYS A 24 -1.105 -14.758 4.831 1.00 0.00 S ATOM 0 H CYS A 24 -2.440 -17.654 4.973 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.009 -15.260 4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.504 -16.510 3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.222 -14.997 2.711 1.00 0.00 H new ATOM 42 N PRO A 25 -5.022 -16.123 2.168 1.00 0.00 N ATOM 43 CA PRO A 25 -5.784 -16.692 1.030 1.00 0.00 C ATOM 44 C PRO A 25 -4.919 -17.382 -0.042 1.00 0.00 C ATOM 45 O PRO A 25 -5.353 -18.355 -0.657 1.00 0.00 O ATOM 46 CB PRO A 25 -6.457 -15.462 0.423 1.00 0.00 C ATOM 47 CG PRO A 25 -6.629 -14.547 1.570 1.00 0.00 C ATOM 48 CD PRO A 25 -5.387 -14.707 2.393 1.00 0.00 C ATOM 0 HA PRO A 25 -6.457 -17.477 1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.841 -15.014 -0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.414 -15.715 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.750 -13.516 1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.518 -14.802 2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.597 -14.030 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.571 -14.500 3.447 1.00 0.00 H new ATOM 56 N SER A 26 -3.722 -16.888 -0.266 1.00 0.00 N ATOM 57 CA SER A 26 -2.864 -17.426 -1.292 1.00 0.00 C ATOM 58 C SER A 26 -1.407 -17.126 -0.955 1.00 0.00 C ATOM 59 O SER A 26 -1.131 -16.393 -0.002 1.00 0.00 O ATOM 60 CB SER A 26 -3.261 -16.826 -2.670 1.00 0.00 C ATOM 61 OG SER A 26 -2.420 -17.288 -3.719 1.00 0.00 O ATOM 0 H SER A 26 -3.320 -16.108 0.254 1.00 0.00 H new ATOM 0 HA SER A 26 -2.983 -18.508 -1.344 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.295 -17.087 -2.894 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.211 -15.738 -2.619 1.00 0.00 H new ATOM 0 HG SER A 26 -2.705 -16.888 -4.567 1.00 0.00 H new ATOM 67 N SER A 27 -0.499 -17.658 -1.751 1.00 0.00 N ATOM 68 CA SER A 27 0.921 -17.470 -1.594 1.00 0.00 C ATOM 69 C SER A 27 1.352 -16.091 -2.112 1.00 0.00 C ATOM 70 O SER A 27 2.478 -15.649 -1.895 1.00 0.00 O ATOM 71 CB SER A 27 1.629 -18.601 -2.324 1.00 0.00 C ATOM 72 OG SER A 27 0.974 -18.861 -3.570 1.00 0.00 O ATOM 0 H SER A 27 -0.742 -18.249 -2.546 1.00 0.00 H new ATOM 0 HA SER A 27 1.193 -17.498 -0.539 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.672 -18.336 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.628 -19.500 -1.708 1.00 0.00 H new ATOM 0 HG SER A 27 1.435 -19.589 -4.036 1.00 0.00 H new ATOM 78 N THR A 28 0.431 -15.420 -2.800 1.00 0.00 N ATOM 79 CA THR A 28 0.637 -14.057 -3.267 1.00 0.00 C ATOM 80 C THR A 28 0.541 -13.097 -2.065 1.00 0.00 C ATOM 81 O THR A 28 0.931 -11.923 -2.130 1.00 0.00 O ATOM 82 CB THR A 28 -0.447 -13.712 -4.302 1.00 0.00 C ATOM 83 OG1 THR A 28 -0.485 -14.758 -5.280 1.00 0.00 O ATOM 84 CG2 THR A 28 -0.150 -12.381 -4.995 1.00 0.00 C ATOM 0 H THR A 28 -0.479 -15.809 -3.048 1.00 0.00 H new ATOM 0 HA THR A 28 1.619 -13.960 -3.729 1.00 0.00 H new ATOM 0 HB THR A 28 -1.406 -13.619 -3.793 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.173 -14.556 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.934 -12.166 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.114 -11.584 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.810 -12.444 -5.507 1.00 0.00 H new ATOM 92 N TRP A 29 0.034 -13.631 -0.980 1.00 0.00 N ATOM 93 CA TRP A 29 -0.116 -12.930 0.235 1.00 0.00 C ATOM 94 C TRP A 29 1.124 -13.133 1.071 1.00 0.00 C ATOM 95 O TRP A 29 1.626 -14.258 1.222 1.00 0.00 O ATOM 96 CB TRP A 29 -1.349 -13.416 0.967 1.00 0.00 C ATOM 97 CG TRP A 29 -2.631 -13.030 0.329 1.00 0.00 C ATOM 98 CD1 TRP A 29 -3.166 -13.539 -0.783 1.00 0.00 C ATOM 99 CD2 TRP A 29 -3.536 -12.066 0.798 1.00 0.00 C ATOM 100 NE1 TRP A 29 -4.346 -12.931 -1.069 1.00 0.00 N ATOM 101 CE2 TRP A 29 -4.596 -12.013 -0.102 1.00 0.00 C ATOM 102 CE3 TRP A 29 -3.540 -11.242 1.884 1.00 0.00 C ATOM 103 CZ2 TRP A 29 -5.655 -11.153 0.063 1.00 0.00 C ATOM 104 CZ3 TRP A 29 -4.607 -10.376 2.059 1.00 0.00 C ATOM 105 CH2 TRP A 29 -5.646 -10.340 1.145 1.00 0.00 C ATOM 0 H TRP A 29 -0.290 -14.597 -0.936 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.243 -11.865 0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.307 -14.503 1.043 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.331 -13.025 1.984 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.721 -14.326 -1.374 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.942 -13.130 -1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.727 -11.264 2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.468 -11.127 -0.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.628 -9.722 2.918 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.464 -9.651 1.298 1.00 0.00 H new ATOM 116 N ILE A 30 1.619 -12.066 1.569 1.00 0.00 N ATOM 117 CA ILE A 30 2.837 -12.026 2.316 1.00 0.00 C ATOM 118 C ILE A 30 2.533 -11.748 3.778 1.00 0.00 C ATOM 119 O ILE A 30 1.947 -10.739 4.109 1.00 0.00 O ATOM 120 CB ILE A 30 3.735 -10.944 1.694 1.00 0.00 C ATOM 121 CG1 ILE A 30 4.030 -11.361 0.256 1.00 0.00 C ATOM 122 CG2 ILE A 30 5.022 -10.744 2.479 1.00 0.00 C ATOM 123 CD1 ILE A 30 4.919 -10.443 -0.474 1.00 0.00 C ATOM 0 H ILE A 30 1.176 -11.153 1.469 1.00 0.00 H new ATOM 0 HA ILE A 30 3.358 -12.982 2.277 1.00 0.00 H new ATOM 0 HB ILE A 30 3.218 -9.985 1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.480 -12.354 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.088 -11.443 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.623 -9.970 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.783 -10.440 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.584 -11.678 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.075 -10.816 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.464 -9.454 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.878 -10.379 0.041 1.00 0.00 H new ATOM 135 N GLN A 31 2.912 -12.649 4.633 1.00 0.00 N ATOM 136 CA GLN A 31 2.564 -12.558 6.036 1.00 0.00 C ATOM 137 C GLN A 31 3.684 -11.902 6.834 1.00 0.00 C ATOM 138 O GLN A 31 4.794 -12.447 6.924 1.00 0.00 O ATOM 139 CB GLN A 31 2.293 -13.955 6.573 1.00 0.00 C ATOM 140 CG GLN A 31 1.643 -13.985 7.934 1.00 0.00 C ATOM 141 CD GLN A 31 1.520 -15.385 8.462 1.00 0.00 C ATOM 142 OE1 GLN A 31 0.550 -16.081 8.190 1.00 0.00 O ATOM 143 NE2 GLN A 31 2.467 -15.798 9.241 1.00 0.00 N ATOM 0 H GLN A 31 3.469 -13.468 4.389 1.00 0.00 H new ATOM 0 HA GLN A 31 1.671 -11.941 6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.654 -14.485 5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.235 -14.501 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.229 -13.384 8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.654 -13.531 7.875 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.260 -15.191 9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.420 -16.731 9.650 1.00 0.00 H new ATOM 152 N PHE A 32 3.419 -10.745 7.402 1.00 0.00 N ATOM 153 CA PHE A 32 4.382 -10.073 8.170 1.00 0.00 C ATOM 154 C PHE A 32 3.880 -9.936 9.583 1.00 0.00 C ATOM 155 O PHE A 32 2.786 -9.394 9.804 1.00 0.00 O ATOM 156 CB PHE A 32 4.646 -8.732 7.570 1.00 0.00 C ATOM 157 CG PHE A 32 5.802 -8.044 8.157 1.00 0.00 C ATOM 158 CD1 PHE A 32 7.062 -8.587 8.020 1.00 0.00 C ATOM 159 CD2 PHE A 32 5.648 -6.866 8.832 1.00 0.00 C ATOM 160 CE1 PHE A 32 8.161 -7.960 8.543 1.00 0.00 C ATOM 161 CE2 PHE A 32 6.749 -6.227 9.359 1.00 0.00 C ATOM 162 CZ PHE A 32 8.007 -6.779 9.208 1.00 0.00 C ATOM 0 H PHE A 32 2.523 -10.264 7.330 1.00 0.00 H new ATOM 0 HA PHE A 32 5.314 -10.638 8.182 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.808 -8.848 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.761 -8.108 7.693 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.184 -9.521 7.492 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.664 -6.436 8.952 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.142 -8.397 8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.629 -5.294 9.890 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.870 -6.274 9.617 1.00 0.00 H new ATOM 172 N GLN A 33 4.670 -10.439 10.524 1.00 0.00 N ATOM 173 CA GLN A 33 4.373 -10.455 11.956 1.00 0.00 C ATOM 174 C GLN A 33 3.122 -11.286 12.286 1.00 0.00 C ATOM 175 O GLN A 33 3.225 -12.423 12.746 1.00 0.00 O ATOM 176 CB GLN A 33 4.283 -9.039 12.540 1.00 0.00 C ATOM 177 CG GLN A 33 5.546 -8.221 12.335 1.00 0.00 C ATOM 178 CD GLN A 33 5.485 -6.857 12.981 1.00 0.00 C ATOM 179 OE1 GLN A 33 4.422 -6.258 13.126 1.00 0.00 O ATOM 180 NE2 GLN A 33 6.621 -6.351 13.370 1.00 0.00 N ATOM 0 H GLN A 33 5.571 -10.864 10.305 1.00 0.00 H new ATOM 0 HA GLN A 33 5.215 -10.950 12.439 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.443 -8.518 12.081 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.072 -9.107 13.607 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.396 -8.770 12.740 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.724 -8.102 11.266 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.486 -6.875 13.235 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.646 -5.431 13.810 1.00 0.00 H new ATOM 189 N ASP A 34 1.971 -10.726 12.030 1.00 0.00 N ATOM 190 CA ASP A 34 0.699 -11.375 12.297 1.00 0.00 C ATOM 191 C ASP A 34 -0.364 -10.811 11.363 1.00 0.00 C ATOM 192 O ASP A 34 -1.567 -10.870 11.637 1.00 0.00 O ATOM 193 CB ASP A 34 0.281 -11.198 13.775 1.00 0.00 C ATOM 194 CG ASP A 34 0.117 -9.751 14.204 1.00 0.00 C ATOM 195 OD1 ASP A 34 -1.000 -9.200 14.094 1.00 0.00 O ATOM 196 OD2 ASP A 34 1.099 -9.141 14.704 1.00 0.00 O ATOM 0 H ASP A 34 1.880 -9.794 11.625 1.00 0.00 H new ATOM 0 HA ASP A 34 0.805 -12.444 12.114 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.659 -11.724 13.941 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.028 -11.672 14.412 1.00 0.00 H new ATOM 201 N SER A 35 0.080 -10.331 10.230 1.00 0.00 N ATOM 202 CA SER A 35 -0.803 -9.780 9.236 1.00 0.00 C ATOM 203 C SER A 35 -0.432 -10.332 7.892 1.00 0.00 C ATOM 204 O SER A 35 0.636 -10.898 7.738 1.00 0.00 O ATOM 205 CB SER A 35 -0.646 -8.286 9.167 1.00 0.00 C ATOM 206 OG SER A 35 -0.837 -7.677 10.431 1.00 0.00 O ATOM 0 H SER A 35 1.066 -10.311 9.971 1.00 0.00 H new ATOM 0 HA SER A 35 -1.828 -10.037 9.503 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.348 -8.042 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.363 -7.878 8.455 1.00 0.00 H new ATOM 0 HG SER A 35 -0.022 -7.198 10.690 1.00 0.00 H new ATOM 212 N CYS A 36 -1.280 -10.148 6.926 1.00 0.00 N ATOM 213 CA CYS A 36 -0.987 -10.591 5.603 1.00 0.00 C ATOM 214 C CYS A 36 -1.216 -9.471 4.640 1.00 0.00 C ATOM 215 O CYS A 36 -2.142 -8.669 4.786 1.00 0.00 O ATOM 216 CB CYS A 36 -1.767 -11.830 5.252 1.00 0.00 C ATOM 217 SG CYS A 36 -0.931 -12.890 4.060 1.00 0.00 S ATOM 0 H CYS A 36 -2.185 -9.691 7.034 1.00 0.00 H new ATOM 0 HA CYS A 36 0.064 -10.875 5.542 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.958 -12.399 6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.737 -11.538 4.849 1.00 0.00 H new ATOM 222 N TYR A 37 -0.316 -9.403 3.727 1.00 0.00 N ATOM 223 CA TYR A 37 -0.162 -8.345 2.798 1.00 0.00 C ATOM 224 C TYR A 37 -0.272 -8.789 1.366 1.00 0.00 C ATOM 225 O TYR A 37 0.185 -9.858 1.013 1.00 0.00 O ATOM 226 CB TYR A 37 1.210 -7.772 3.065 1.00 0.00 C ATOM 227 CG TYR A 37 1.258 -7.039 4.329 1.00 0.00 C ATOM 228 CD1 TYR A 37 0.903 -5.737 4.387 1.00 0.00 C ATOM 229 CD2 TYR A 37 1.591 -7.679 5.453 1.00 0.00 C ATOM 230 CE1 TYR A 37 0.892 -5.073 5.589 1.00 0.00 C ATOM 231 CE2 TYR A 37 1.577 -7.089 6.649 1.00 0.00 C ATOM 232 CZ TYR A 37 1.227 -5.766 6.730 1.00 0.00 C ATOM 233 OH TYR A 37 1.160 -5.155 7.941 1.00 0.00 O ATOM 0 H TYR A 37 0.381 -10.137 3.601 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.961 -7.616 2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.943 -8.579 3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.491 -7.107 2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.626 -5.215 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.884 -8.717 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.626 -4.027 5.638 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.837 -7.644 7.538 1.00 0.00 H new ATOM 0 HH TYR A 37 1.819 -5.555 8.546 1.00 0.00 H new ATOM 243 N ILE A 38 -0.906 -7.973 0.563 1.00 0.00 N ATOM 244 CA ILE A 38 -1.006 -8.206 -0.859 1.00 0.00 C ATOM 245 C ILE A 38 -1.106 -6.876 -1.600 1.00 0.00 C ATOM 246 O ILE A 38 -1.763 -5.954 -1.120 1.00 0.00 O ATOM 247 CB ILE A 38 -2.179 -9.145 -1.226 1.00 0.00 C ATOM 248 CG1 ILE A 38 -2.174 -9.459 -2.732 1.00 0.00 C ATOM 249 CG2 ILE A 38 -3.500 -8.549 -0.789 1.00 0.00 C ATOM 250 CD1 ILE A 38 -3.260 -10.411 -3.165 1.00 0.00 C ATOM 0 H ILE A 38 -1.371 -7.122 0.878 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.097 -8.719 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.048 -10.086 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.280 -8.527 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.206 -9.882 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.311 -9.226 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.493 -8.401 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.649 -7.590 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.188 -10.581 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.144 -11.359 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.234 -9.983 -2.930 1.00 0.00 H new ATOM 262 N PHE A 39 -0.397 -6.739 -2.704 1.00 0.00 N ATOM 263 CA PHE A 39 -0.522 -5.550 -3.509 1.00 0.00 C ATOM 264 C PHE A 39 -1.289 -5.911 -4.672 1.00 0.00 C ATOM 265 O PHE A 39 -0.954 -6.874 -5.373 1.00 0.00 O ATOM 266 CB PHE A 39 0.782 -5.050 -4.048 1.00 0.00 C ATOM 267 CG PHE A 39 0.817 -3.577 -4.290 1.00 0.00 C ATOM 268 CD1 PHE A 39 0.673 -2.706 -3.249 1.00 0.00 C ATOM 269 CD2 PHE A 39 1.009 -3.071 -5.540 1.00 0.00 C ATOM 270 CE1 PHE A 39 0.709 -1.348 -3.446 1.00 0.00 C ATOM 271 CE2 PHE A 39 1.050 -1.704 -5.744 1.00 0.00 C ATOM 272 CZ PHE A 39 0.896 -0.848 -4.700 1.00 0.00 C ATOM 0 H PHE A 39 0.264 -7.431 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.963 -4.780 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.576 -5.311 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.998 -5.566 -4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.528 -3.093 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.130 -3.742 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.589 -0.677 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.205 -1.314 -6.739 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.922 0.219 -4.863 1.00 0.00 H new ATOM 282 N LEU A 40 -2.295 -5.228 -4.892 1.00 0.00 N ATOM 283 CA LEU A 40 -3.002 -5.430 -6.021 1.00 0.00 C ATOM 284 C LEU A 40 -3.094 -4.179 -6.778 1.00 0.00 C ATOM 285 O LEU A 40 -3.788 -3.242 -6.385 1.00 0.00 O ATOM 286 CB LEU A 40 -4.350 -6.187 -5.842 1.00 0.00 C ATOM 287 CG LEU A 40 -5.197 -6.004 -4.554 1.00 0.00 C ATOM 288 CD1 LEU A 40 -4.469 -6.528 -3.343 1.00 0.00 C ATOM 289 CD2 LEU A 40 -5.653 -4.564 -4.342 1.00 0.00 C ATOM 0 H LEU A 40 -2.654 -4.498 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.443 -6.145 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.985 -5.915 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.135 -7.251 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.101 -6.597 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.088 -6.386 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.262 -7.590 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.530 -5.988 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.241 -4.499 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.781 -3.915 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.263 -4.247 -5.188 1.00 0.00 H new ATOM 301 N GLN A 41 -2.271 -4.073 -7.764 1.00 0.00 N ATOM 302 CA GLN A 41 -2.434 -2.981 -8.650 1.00 0.00 C ATOM 303 C GLN A 41 -3.712 -3.166 -9.472 1.00 0.00 C ATOM 304 O GLN A 41 -3.751 -3.901 -10.460 1.00 0.00 O ATOM 305 CB GLN A 41 -1.191 -2.753 -9.509 1.00 0.00 C ATOM 306 CG GLN A 41 -0.041 -2.288 -8.655 1.00 0.00 C ATOM 307 CD GLN A 41 1.201 -1.874 -9.392 1.00 0.00 C ATOM 308 OE1 GLN A 41 1.143 -1.419 -10.530 1.00 0.00 O ATOM 309 NE2 GLN A 41 2.349 -1.985 -8.739 1.00 0.00 N ATOM 0 H GLN A 41 -1.501 -4.710 -7.971 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.549 -2.067 -8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.921 -3.676 -10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.404 -2.011 -10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.380 -1.446 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.220 -3.090 -7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.363 -2.368 -7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.218 -1.688 -9.182 1.00 0.00 H new ATOM 318 N GLU A 42 -4.763 -2.555 -8.966 1.00 0.00 N ATOM 319 CA GLU A 42 -6.077 -2.501 -9.573 1.00 0.00 C ATOM 320 C GLU A 42 -6.392 -1.053 -9.934 1.00 0.00 C ATOM 321 O GLU A 42 -6.426 -0.185 -9.055 1.00 0.00 O ATOM 322 CB GLU A 42 -7.125 -3.012 -8.580 1.00 0.00 C ATOM 323 CG GLU A 42 -6.990 -4.488 -8.199 1.00 0.00 C ATOM 324 CD GLU A 42 -7.317 -5.420 -9.336 1.00 0.00 C ATOM 325 OE1 GLU A 42 -8.516 -5.656 -9.590 1.00 0.00 O ATOM 326 OE2 GLU A 42 -6.393 -5.968 -9.988 1.00 0.00 O ATOM 0 H GLU A 42 -4.722 -2.058 -8.076 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.095 -3.124 -10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.067 -2.411 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.116 -2.851 -9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.971 -4.679 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.650 -4.703 -7.359 1.00 0.00 H new ATOM 333 N ALA A 43 -6.620 -0.785 -11.184 1.00 0.00 N ATOM 334 CA ALA A 43 -6.936 0.563 -11.602 1.00 0.00 C ATOM 335 C ALA A 43 -8.437 0.750 -11.550 1.00 0.00 C ATOM 336 O ALA A 43 -9.183 0.118 -12.317 1.00 0.00 O ATOM 337 CB ALA A 43 -6.438 0.794 -13.012 1.00 0.00 C ATOM 0 H ALA A 43 -6.595 -1.473 -11.936 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.451 1.279 -10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.679 1.811 -13.321 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.358 0.651 -13.044 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.918 0.086 -13.688 1.00 0.00 H new ATOM 343 N ILE A 44 -8.881 1.628 -10.693 1.00 0.00 N ATOM 344 CA ILE A 44 -10.302 1.870 -10.490 1.00 0.00 C ATOM 345 C ILE A 44 -10.530 3.336 -10.231 1.00 0.00 C ATOM 346 O ILE A 44 -9.602 4.049 -9.830 1.00 0.00 O ATOM 347 CB ILE A 44 -10.946 1.078 -9.305 1.00 0.00 C ATOM 348 CG1 ILE A 44 -10.390 1.523 -7.965 1.00 0.00 C ATOM 349 CG2 ILE A 44 -10.794 -0.436 -9.461 1.00 0.00 C ATOM 350 CD1 ILE A 44 -11.197 1.007 -6.813 1.00 0.00 C ATOM 0 H ILE A 44 -8.274 2.203 -10.109 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.780 1.522 -11.405 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.011 1.309 -9.333 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.361 1.177 -7.868 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.365 2.612 -7.929 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.258 -0.938 -8.612 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.280 -0.757 -10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.736 -0.693 -9.500 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.758 1.353 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.220 1.375 -6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.201 -0.083 -6.831 1.00 0.00 H new ATOM 362 N LYS A 45 -11.726 3.793 -10.506 1.00 0.00 N ATOM 363 CA LYS A 45 -12.102 5.132 -10.252 1.00 0.00 C ATOM 364 C LYS A 45 -12.194 5.338 -8.750 1.00 0.00 C ATOM 365 O LYS A 45 -13.095 4.799 -8.083 1.00 0.00 O ATOM 366 CB LYS A 45 -13.444 5.442 -10.902 1.00 0.00 C ATOM 367 CG LYS A 45 -13.866 6.882 -10.758 1.00 0.00 C ATOM 368 CD LYS A 45 -12.894 7.789 -11.476 1.00 0.00 C ATOM 369 CE LYS A 45 -13.284 9.233 -11.369 1.00 0.00 C ATOM 370 NZ LYS A 45 -12.306 10.123 -12.036 1.00 0.00 N ATOM 0 H LYS A 45 -12.466 3.225 -10.918 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.355 5.804 -10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.391 5.192 -11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.208 4.802 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.868 7.017 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.912 7.150 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.896 7.652 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.843 7.505 -12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.268 9.377 -11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.367 9.509 -10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.737 11.056 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.465 10.228 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.028 9.711 -12.949 1.00 0.00 H new ATOM 384 N VAL A 46 -11.261 6.063 -8.229 1.00 0.00 N ATOM 385 CA VAL A 46 -11.203 6.330 -6.831 1.00 0.00 C ATOM 386 C VAL A 46 -11.761 7.695 -6.554 1.00 0.00 C ATOM 387 O VAL A 46 -11.253 8.707 -7.021 1.00 0.00 O ATOM 388 CB VAL A 46 -9.769 6.199 -6.279 1.00 0.00 C ATOM 389 CG1 VAL A 46 -9.718 6.458 -4.789 1.00 0.00 C ATOM 390 CG2 VAL A 46 -9.213 4.834 -6.607 1.00 0.00 C ATOM 0 H VAL A 46 -10.509 6.492 -8.768 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.809 5.584 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.151 6.958 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.691 6.356 -4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.074 7.467 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.352 5.737 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.200 4.750 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.842 4.067 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.195 4.699 -7.688 1.00 0.00 H new ATOM 400 N GLU A 47 -12.829 7.693 -5.863 1.00 0.00 N ATOM 401 CA GLU A 47 -13.511 8.886 -5.468 1.00 0.00 C ATOM 402 C GLU A 47 -13.050 9.301 -4.088 1.00 0.00 C ATOM 403 O GLU A 47 -12.893 10.484 -3.784 1.00 0.00 O ATOM 404 CB GLU A 47 -14.987 8.602 -5.441 1.00 0.00 C ATOM 405 CG GLU A 47 -15.576 8.355 -6.756 1.00 0.00 C ATOM 406 CD GLU A 47 -15.667 9.597 -7.596 1.00 0.00 C ATOM 407 OE1 GLU A 47 -16.296 10.566 -7.156 1.00 0.00 O ATOM 408 OE2 GLU A 47 -15.142 9.616 -8.728 1.00 0.00 O ATOM 0 H GLU A 47 -13.280 6.838 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.296 9.691 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.167 7.734 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.499 9.446 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.980 7.609 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.573 7.934 -6.629 1.00 0.00 H new ATOM 415 N SER A 48 -12.812 8.317 -3.287 1.00 0.00 N ATOM 416 CA SER A 48 -12.399 8.476 -1.953 1.00 0.00 C ATOM 417 C SER A 48 -11.437 7.410 -1.657 1.00 0.00 C ATOM 418 O SER A 48 -11.395 6.433 -2.378 1.00 0.00 O ATOM 419 CB SER A 48 -13.584 8.338 -1.028 1.00 0.00 C ATOM 420 OG SER A 48 -14.447 9.461 -1.126 1.00 0.00 O ATOM 0 H SER A 48 -12.907 7.341 -3.567 1.00 0.00 H new ATOM 0 HA SER A 48 -11.953 9.460 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.135 7.430 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.236 8.232 -0.000 1.00 0.00 H new ATOM 0 HG SER A 48 -14.038 10.228 -0.674 1.00 0.00 H new ATOM 426 N ILE A 49 -10.687 7.535 -0.592 1.00 0.00 N ATOM 427 CA ILE A 49 -9.757 6.520 -0.248 1.00 0.00 C ATOM 428 C ILE A 49 -10.514 5.233 0.093 1.00 0.00 C ATOM 429 O ILE A 49 -10.025 4.150 -0.044 1.00 0.00 O ATOM 430 CB ILE A 49 -8.843 6.959 0.881 1.00 0.00 C ATOM 431 CG1 ILE A 49 -7.772 5.955 1.092 1.00 0.00 C ATOM 432 CG2 ILE A 49 -9.619 7.154 2.113 1.00 0.00 C ATOM 433 CD1 ILE A 49 -6.694 6.409 2.070 1.00 0.00 C ATOM 0 H ILE A 49 -10.711 8.333 0.043 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.110 6.326 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.378 7.907 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.219 5.031 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.307 5.725 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.953 7.469 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.377 7.920 1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.104 6.218 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.944 5.625 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.220 7.316 1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.146 6.612 3.041 1.00 0.00 H new ATOM 445 N GLU A 50 -11.729 5.418 0.462 1.00 0.00 N ATOM 446 CA GLU A 50 -12.696 4.348 0.676 1.00 0.00 C ATOM 447 C GLU A 50 -12.838 3.492 -0.599 1.00 0.00 C ATOM 448 O GLU A 50 -13.004 2.300 -0.527 1.00 0.00 O ATOM 449 CB GLU A 50 -14.049 4.930 1.022 1.00 0.00 C ATOM 450 CG GLU A 50 -14.095 5.696 2.321 1.00 0.00 C ATOM 451 CD GLU A 50 -13.880 4.804 3.502 1.00 0.00 C ATOM 452 OE1 GLU A 50 -14.335 3.644 3.460 1.00 0.00 O ATOM 453 OE2 GLU A 50 -13.331 5.267 4.518 1.00 0.00 O ATOM 0 H GLU A 50 -12.114 6.346 0.636 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.340 3.726 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.361 5.592 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.776 4.120 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.332 6.475 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.059 6.196 2.414 1.00 0.00 H new ATOM 460 N ASP A 51 -12.706 4.113 -1.743 1.00 0.00 N ATOM 461 CA ASP A 51 -12.818 3.452 -3.010 1.00 0.00 C ATOM 462 C ASP A 51 -11.628 2.592 -3.271 1.00 0.00 C ATOM 463 O ASP A 51 -11.740 1.519 -3.816 1.00 0.00 O ATOM 464 CB ASP A 51 -12.924 4.474 -4.115 1.00 0.00 C ATOM 465 CG ASP A 51 -14.261 5.125 -4.215 1.00 0.00 C ATOM 466 OD1 ASP A 51 -14.512 6.074 -3.479 1.00 0.00 O ATOM 467 OD2 ASP A 51 -15.070 4.720 -5.061 1.00 0.00 O ATOM 0 H ASP A 51 -12.514 5.112 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.712 2.829 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.168 5.243 -3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.695 3.991 -5.065 1.00 0.00 H new ATOM 472 N VAL A 52 -10.500 3.035 -2.820 1.00 0.00 N ATOM 473 CA VAL A 52 -9.276 2.366 -3.099 1.00 0.00 C ATOM 474 C VAL A 52 -9.036 1.322 -2.059 1.00 0.00 C ATOM 475 O VAL A 52 -8.525 0.255 -2.328 1.00 0.00 O ATOM 476 CB VAL A 52 -8.094 3.357 -3.239 1.00 0.00 C ATOM 477 CG1 VAL A 52 -8.157 4.448 -2.253 1.00 0.00 C ATOM 478 CG2 VAL A 52 -6.761 2.646 -3.277 1.00 0.00 C ATOM 0 H VAL A 52 -10.403 3.873 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.353 1.870 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.194 3.844 -4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.306 5.115 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.083 5.007 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.129 4.031 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.960 3.379 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.624 2.081 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.736 1.965 -4.127 1.00 0.00 H new ATOM 488 N ARG A 53 -9.493 1.609 -0.886 1.00 0.00 N ATOM 489 CA ARG A 53 -9.396 0.722 0.195 1.00 0.00 C ATOM 490 C ARG A 53 -10.320 -0.493 -0.064 1.00 0.00 C ATOM 491 O ARG A 53 -10.095 -1.592 0.450 1.00 0.00 O ATOM 492 CB ARG A 53 -9.692 1.527 1.505 1.00 0.00 C ATOM 493 CG ARG A 53 -11.064 1.950 1.738 1.00 0.00 C ATOM 494 CD ARG A 53 -11.889 0.816 2.167 1.00 0.00 C ATOM 495 NE ARG A 53 -11.731 0.453 3.586 1.00 0.00 N ATOM 496 CZ ARG A 53 -12.750 0.373 4.446 1.00 0.00 C ATOM 497 NH1 ARG A 53 -13.903 0.963 4.172 1.00 0.00 N ATOM 498 NH2 ARG A 53 -12.586 -0.209 5.611 1.00 0.00 N ATOM 0 H ARG A 53 -9.953 2.491 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.398 0.299 0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.380 0.917 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.062 2.416 1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.085 2.730 2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.477 2.382 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.936 1.052 1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.643 -0.050 1.553 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.792 0.252 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.016 1.482 3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.678 0.899 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.679 -0.602 5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.366 -0.269 6.266 1.00 0.00 H new ATOM 512 N ASN A 54 -11.328 -0.262 -0.925 1.00 0.00 N ATOM 513 CA ASN A 54 -12.313 -1.283 -1.342 1.00 0.00 C ATOM 514 C ASN A 54 -11.622 -2.425 -1.993 1.00 0.00 C ATOM 515 O ASN A 54 -12.045 -3.569 -1.889 1.00 0.00 O ATOM 516 CB ASN A 54 -13.317 -0.721 -2.345 1.00 0.00 C ATOM 517 CG ASN A 54 -14.482 0.029 -1.735 1.00 0.00 C ATOM 518 OD1 ASN A 54 -14.904 -0.243 -0.608 1.00 0.00 O ATOM 519 ND2 ASN A 54 -15.029 0.955 -2.485 1.00 0.00 N ATOM 0 H ASN A 54 -11.485 0.649 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.837 -1.604 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.791 -0.052 -3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.708 -1.543 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.833 1.480 -2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.650 1.150 -3.412 1.00 0.00 H new ATOM 526 N GLN A 55 -10.535 -2.105 -2.641 1.00 0.00 N ATOM 527 CA GLN A 55 -9.730 -3.083 -3.356 1.00 0.00 C ATOM 528 C GLN A 55 -9.209 -4.128 -2.390 1.00 0.00 C ATOM 529 O GLN A 55 -9.157 -5.304 -2.699 1.00 0.00 O ATOM 530 CB GLN A 55 -8.560 -2.404 -4.049 1.00 0.00 C ATOM 531 CG GLN A 55 -8.968 -1.315 -5.011 1.00 0.00 C ATOM 532 CD GLN A 55 -7.779 -0.608 -5.650 1.00 0.00 C ATOM 533 OE1 GLN A 55 -6.719 -1.183 -5.846 1.00 0.00 O ATOM 534 NE2 GLN A 55 -7.953 0.654 -5.963 1.00 0.00 N ATOM 0 H GLN A 55 -10.172 -1.153 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.356 -3.563 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.900 -1.979 -3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.984 -3.156 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.592 -1.745 -5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.579 -0.582 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.851 1.104 -5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.190 1.185 -6.383 1.00 0.00 H new ATOM 543 N CYS A 56 -8.883 -3.698 -1.203 1.00 0.00 N ATOM 544 CA CYS A 56 -8.377 -4.572 -0.221 1.00 0.00 C ATOM 545 C CYS A 56 -9.468 -5.276 0.521 1.00 0.00 C ATOM 546 O CYS A 56 -9.366 -6.481 0.789 1.00 0.00 O ATOM 547 CB CYS A 56 -7.508 -3.829 0.728 1.00 0.00 C ATOM 548 SG CYS A 56 -6.075 -3.092 -0.044 1.00 0.00 S ATOM 0 H CYS A 56 -8.967 -2.727 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.787 -5.332 -0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.095 -3.046 1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.178 -4.508 1.514 1.00 0.00 H new ATOM 553 N THR A 57 -10.532 -4.561 0.821 1.00 0.00 N ATOM 554 CA THR A 57 -11.642 -5.122 1.574 1.00 0.00 C ATOM 555 C THR A 57 -12.352 -6.192 0.777 1.00 0.00 C ATOM 556 O THR A 57 -12.973 -7.105 1.327 1.00 0.00 O ATOM 557 CB THR A 57 -12.593 -4.029 2.051 1.00 0.00 C ATOM 558 OG1 THR A 57 -13.050 -3.268 0.938 1.00 0.00 O ATOM 559 CG2 THR A 57 -11.866 -3.107 3.001 1.00 0.00 C ATOM 0 H THR A 57 -10.655 -3.584 0.555 1.00 0.00 H new ATOM 0 HA THR A 57 -11.240 -5.602 2.466 1.00 0.00 H new ATOM 0 HB THR A 57 -13.441 -4.493 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.680 -3.643 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.546 -2.326 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.509 -3.677 3.859 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.018 -2.652 2.489 1.00 0.00 H new ATOM 567 N ASP A 58 -12.139 -6.120 -0.519 1.00 0.00 N ATOM 568 CA ASP A 58 -12.634 -7.100 -1.491 1.00 0.00 C ATOM 569 C ASP A 58 -11.992 -8.461 -1.228 1.00 0.00 C ATOM 570 O ASP A 58 -12.552 -9.507 -1.545 1.00 0.00 O ATOM 571 CB ASP A 58 -12.266 -6.638 -2.909 1.00 0.00 C ATOM 572 CG ASP A 58 -12.703 -7.593 -4.002 1.00 0.00 C ATOM 573 OD1 ASP A 58 -13.853 -7.505 -4.470 1.00 0.00 O ATOM 574 OD2 ASP A 58 -11.893 -8.412 -4.451 1.00 0.00 O ATOM 0 H ASP A 58 -11.605 -5.364 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.716 -7.185 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.718 -5.663 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.186 -6.505 -2.968 1.00 0.00 H new ATOM 579 N HIS A 59 -10.831 -8.434 -0.591 1.00 0.00 N ATOM 580 CA HIS A 59 -10.075 -9.634 -0.326 1.00 0.00 C ATOM 581 C HIS A 59 -10.138 -9.991 1.132 1.00 0.00 C ATOM 582 O HIS A 59 -9.412 -10.869 1.587 1.00 0.00 O ATOM 583 CB HIS A 59 -8.597 -9.494 -0.719 1.00 0.00 C ATOM 584 CG HIS A 59 -8.301 -9.252 -2.179 1.00 0.00 C ATOM 585 ND1 HIS A 59 -8.253 -8.112 -2.884 1.00 0.00 N flip ATOM 586 CD2 HIS A 59 -7.942 -10.246 -3.058 1.00 0.00 C flip ATOM 587 CE1 HIS A 59 -7.870 -8.416 -4.157 1.00 0.00 C flip ATOM 588 NE2 HIS A 59 -7.685 -9.707 -4.240 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.393 -7.579 -0.247 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.528 -10.418 -0.933 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.169 -8.672 -0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.077 -10.401 -0.413 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -8.466 -7.180 -2.530 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.880 -11.298 -2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.741 -7.708 -4.962 1.00 0.00 H new ATOM 597 N GLY A 60 -10.996 -9.321 1.871 1.00 0.00 N ATOM 598 CA GLY A 60 -11.063 -9.575 3.289 1.00 0.00 C ATOM 599 C GLY A 60 -9.886 -8.958 4.003 1.00 0.00 C ATOM 600 O GLY A 60 -9.432 -9.426 5.056 1.00 0.00 O ATOM 0 H GLY A 60 -11.642 -8.613 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.991 -9.169 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.080 -10.650 3.470 1.00 0.00 H new ATOM 604 N ALA A 61 -9.374 -7.940 3.397 1.00 0.00 N ATOM 605 CA ALA A 61 -8.252 -7.192 3.904 1.00 0.00 C ATOM 606 C ALA A 61 -8.661 -5.746 3.978 1.00 0.00 C ATOM 607 O ALA A 61 -9.806 -5.440 3.739 1.00 0.00 O ATOM 608 CB ALA A 61 -7.045 -7.371 2.987 1.00 0.00 C ATOM 0 H ALA A 61 -9.729 -7.588 2.508 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.967 -7.548 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.202 -6.802 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.778 -8.427 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.291 -7.013 1.987 1.00 0.00 H new ATOM 614 N ASP A 62 -7.793 -4.896 4.382 1.00 0.00 N ATOM 615 CA ASP A 62 -8.047 -3.467 4.349 1.00 0.00 C ATOM 616 C ASP A 62 -6.735 -2.847 3.968 1.00 0.00 C ATOM 617 O ASP A 62 -5.762 -3.582 3.835 1.00 0.00 O ATOM 618 CB ASP A 62 -8.557 -2.920 5.682 1.00 0.00 C ATOM 619 CG ASP A 62 -9.448 -1.688 5.499 1.00 0.00 C ATOM 620 OD1 ASP A 62 -9.297 -0.952 4.494 1.00 0.00 O ATOM 621 OD2 ASP A 62 -10.374 -1.480 6.339 1.00 0.00 O ATOM 0 H ASP A 62 -6.877 -5.151 4.750 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.840 -3.231 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.117 -3.698 6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.708 -2.662 6.315 1.00 0.00 H new ATOM 626 N MET A 63 -6.684 -1.584 3.681 1.00 0.00 N ATOM 627 CA MET A 63 -5.406 -0.994 3.266 1.00 0.00 C ATOM 628 C MET A 63 -4.319 -1.094 4.347 1.00 0.00 C ATOM 629 O MET A 63 -4.600 -1.129 5.550 1.00 0.00 O ATOM 630 CB MET A 63 -5.527 0.437 2.749 1.00 0.00 C ATOM 631 CG MET A 63 -6.297 0.578 1.468 1.00 0.00 C ATOM 632 SD MET A 63 -6.425 2.295 0.892 1.00 0.00 S ATOM 633 CE MET A 63 -4.705 2.715 0.560 1.00 0.00 C ATOM 0 H MET A 63 -7.475 -0.940 3.718 1.00 0.00 H new ATOM 0 HA MET A 63 -5.090 -1.607 2.422 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.007 1.046 3.515 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.526 0.842 2.602 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.816 -0.022 0.695 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.299 0.174 1.608 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.527 3.757 0.825 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.053 2.074 1.153 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.492 2.568 -0.499 1.00 0.00 H new ATOM 643 N ILE A 64 -3.104 -1.188 3.860 1.00 0.00 N ATOM 644 CA ILE A 64 -1.847 -1.302 4.612 1.00 0.00 C ATOM 645 C ILE A 64 -1.734 -0.403 5.885 1.00 0.00 C ATOM 646 O ILE A 64 -2.248 0.690 5.949 1.00 0.00 O ATOM 647 CB ILE A 64 -0.656 -1.014 3.642 1.00 0.00 C ATOM 648 CG1 ILE A 64 0.635 -0.716 4.388 1.00 0.00 C ATOM 649 CG2 ILE A 64 -0.990 0.075 2.637 1.00 0.00 C ATOM 650 CD1 ILE A 64 1.772 -0.268 3.525 1.00 0.00 C ATOM 0 H ILE A 64 -2.941 -1.188 2.853 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.821 -2.321 4.999 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.489 -1.931 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.438 0.055 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.940 -1.612 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.134 0.242 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.848 -0.232 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.228 0.998 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.648 -0.080 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.004 -1.045 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.494 0.648 3.003 1.00 0.00 H new ATOM 662 N SER A 65 -0.982 -0.877 6.849 1.00 0.00 N ATOM 663 CA SER A 65 -0.774 -0.198 8.069 1.00 0.00 C ATOM 664 C SER A 65 0.593 -0.557 8.589 1.00 0.00 C ATOM 665 O SER A 65 0.985 -1.708 8.562 1.00 0.00 O ATOM 666 CB SER A 65 -1.846 -0.582 9.065 1.00 0.00 C ATOM 667 OG SER A 65 -1.640 0.020 10.325 1.00 0.00 O ATOM 0 H SER A 65 -0.493 -1.770 6.788 1.00 0.00 H new ATOM 0 HA SER A 65 -0.831 0.879 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.822 -0.288 8.678 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.862 -1.666 9.180 1.00 0.00 H new ATOM 0 HG SER A 65 -1.837 0.978 10.266 1.00 0.00 H new ATOM 673 N ILE A 66 1.306 0.432 9.023 1.00 0.00 N ATOM 674 CA ILE A 66 2.626 0.275 9.528 1.00 0.00 C ATOM 675 C ILE A 66 2.633 0.568 10.988 1.00 0.00 C ATOM 676 O ILE A 66 2.235 1.649 11.425 1.00 0.00 O ATOM 677 CB ILE A 66 3.556 1.259 8.806 1.00 0.00 C ATOM 678 CG1 ILE A 66 3.550 0.913 7.304 1.00 0.00 C ATOM 679 CG2 ILE A 66 4.941 1.229 9.413 1.00 0.00 C ATOM 680 CD1 ILE A 66 4.369 1.792 6.417 1.00 0.00 C ATOM 0 H ILE A 66 0.974 1.396 9.035 1.00 0.00 H new ATOM 0 HA ILE A 66 2.968 -0.746 9.361 1.00 0.00 H new ATOM 0 HB ILE A 66 3.202 2.283 8.925 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.902 -0.112 7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.519 0.938 6.952 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.584 1.934 8.886 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.883 1.507 10.465 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.355 0.225 9.325 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.284 1.449 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.008 2.818 6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.413 1.752 6.728 1.00 0.00 H new ATOM 692 N HIS A 67 3.031 -0.387 11.751 1.00 0.00 N ATOM 693 CA HIS A 67 3.142 -0.177 13.153 1.00 0.00 C ATOM 694 C HIS A 67 4.594 -0.177 13.580 1.00 0.00 C ATOM 695 O HIS A 67 4.887 -0.001 14.762 1.00 0.00 O ATOM 696 CB HIS A 67 2.299 -1.184 13.959 1.00 0.00 C ATOM 697 CG HIS A 67 0.802 -0.978 13.829 1.00 0.00 C ATOM 698 ND1 HIS A 67 0.030 -0.427 14.825 1.00 0.00 N ATOM 699 CD2 HIS A 67 -0.054 -1.252 12.811 1.00 0.00 C ATOM 700 CE1 HIS A 67 -1.220 -0.368 14.436 1.00 0.00 C ATOM 701 NE2 HIS A 67 -1.313 -0.868 13.219 1.00 0.00 N ATOM 0 H HIS A 67 3.285 -1.321 11.430 1.00 0.00 H new ATOM 0 HA HIS A 67 2.731 0.808 13.375 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.546 -2.194 13.631 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.575 -1.114 15.011 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.204 -1.690 11.858 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.041 0.026 15.017 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.170 -0.955 12.673 1.00 0.00 H new ATOM 710 N ASN A 68 5.533 -0.316 12.601 1.00 0.00 N ATOM 711 CA ASN A 68 6.983 -0.356 12.925 1.00 0.00 C ATOM 712 C ASN A 68 7.779 -0.077 11.679 1.00 0.00 C ATOM 713 O ASN A 68 7.256 -0.198 10.590 1.00 0.00 O ATOM 714 CB ASN A 68 7.455 -1.748 13.417 1.00 0.00 C ATOM 715 CG ASN A 68 6.730 -2.358 14.586 1.00 0.00 C ATOM 716 OD1 ASN A 68 7.093 -2.151 15.735 1.00 0.00 O ATOM 717 ND2 ASN A 68 5.686 -3.101 14.300 1.00 0.00 N ATOM 0 H ASN A 68 5.317 -0.400 11.608 1.00 0.00 H new ATOM 0 HA ASN A 68 7.136 0.384 13.711 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.385 -2.442 12.579 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.510 -1.671 13.679 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.145 -3.530 15.050 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.416 -3.249 13.327 1.00 0.00 H new ATOM 724 N GLU A 69 9.069 0.240 11.831 1.00 0.00 N ATOM 725 CA GLU A 69 9.938 0.423 10.697 1.00 0.00 C ATOM 726 C GLU A 69 10.142 -0.896 10.039 1.00 0.00 C ATOM 727 O GLU A 69 10.391 -0.958 8.855 1.00 0.00 O ATOM 728 CB GLU A 69 11.290 1.000 11.073 1.00 0.00 C ATOM 729 CG GLU A 69 12.123 0.129 11.952 1.00 0.00 C ATOM 730 CD GLU A 69 13.483 0.707 12.247 1.00 0.00 C ATOM 731 OE1 GLU A 69 13.603 1.611 13.102 1.00 0.00 O ATOM 732 OE2 GLU A 69 14.461 0.263 11.626 1.00 0.00 O ATOM 0 H GLU A 69 9.521 0.372 12.736 1.00 0.00 H new ATOM 0 HA GLU A 69 9.459 1.138 10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.847 1.208 10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.134 1.955 11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.595 -0.038 12.891 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.245 -0.844 11.477 1.00 0.00 H new ATOM 739 N GLU A 70 10.004 -1.965 10.831 1.00 0.00 N ATOM 740 CA GLU A 70 10.084 -3.276 10.359 1.00 0.00 C ATOM 741 C GLU A 70 9.028 -3.470 9.290 1.00 0.00 C ATOM 742 O GLU A 70 9.300 -4.016 8.242 1.00 0.00 O ATOM 743 CB GLU A 70 9.853 -4.209 11.535 1.00 0.00 C ATOM 744 CG GLU A 70 11.059 -5.039 11.936 1.00 0.00 C ATOM 745 CD GLU A 70 11.508 -5.996 10.859 1.00 0.00 C ATOM 746 OE1 GLU A 70 12.187 -5.566 9.901 1.00 0.00 O ATOM 747 OE2 GLU A 70 11.187 -7.194 10.942 1.00 0.00 O ATOM 0 H GLU A 70 9.831 -1.899 11.834 1.00 0.00 H new ATOM 0 HA GLU A 70 11.059 -3.488 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.535 -3.617 12.393 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.031 -4.882 11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.884 -4.372 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.820 -5.603 12.837 1.00 0.00 H new ATOM 754 N GLU A 71 7.846 -2.925 9.559 1.00 0.00 N ATOM 755 CA GLU A 71 6.716 -2.994 8.651 1.00 0.00 C ATOM 756 C GLU A 71 6.967 -2.058 7.498 1.00 0.00 C ATOM 757 O GLU A 71 6.830 -2.420 6.373 1.00 0.00 O ATOM 758 CB GLU A 71 5.449 -2.536 9.351 1.00 0.00 C ATOM 759 CG GLU A 71 4.160 -2.870 8.639 1.00 0.00 C ATOM 760 CD GLU A 71 3.937 -4.274 8.418 1.00 0.00 C ATOM 761 OE1 GLU A 71 3.427 -4.936 9.368 1.00 0.00 O ATOM 762 OE2 GLU A 71 4.171 -4.744 7.346 1.00 0.00 O ATOM 0 H GLU A 71 7.648 -2.419 10.422 1.00 0.00 H new ATOM 0 HA GLU A 71 6.599 -4.023 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.422 -2.982 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.500 -1.456 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.328 -2.472 9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.151 -2.359 7.676 1.00 0.00 H new ATOM 769 N ASN A 72 7.401 -0.853 7.808 1.00 0.00 N ATOM 770 CA ASN A 72 7.615 0.167 6.810 1.00 0.00 C ATOM 771 C ASN A 72 8.603 -0.302 5.772 1.00 0.00 C ATOM 772 O ASN A 72 8.323 -0.308 4.577 1.00 0.00 O ATOM 773 CB ASN A 72 8.127 1.437 7.470 1.00 0.00 C ATOM 774 CG ASN A 72 8.353 2.524 6.457 1.00 0.00 C ATOM 775 OD1 ASN A 72 7.464 3.273 6.148 1.00 0.00 O ATOM 776 ND2 ASN A 72 9.560 2.644 5.977 1.00 0.00 N ATOM 0 H ASN A 72 7.614 -0.556 8.760 1.00 0.00 H new ATOM 0 HA ASN A 72 6.665 0.372 6.317 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.409 1.776 8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.059 1.227 7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.774 3.392 5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.289 1.990 6.262 1.00 0.00 H new ATOM 783 N ALA A 73 9.725 -0.748 6.251 1.00 0.00 N ATOM 784 CA ALA A 73 10.786 -1.210 5.423 1.00 0.00 C ATOM 785 C ALA A 73 10.440 -2.575 4.795 1.00 0.00 C ATOM 786 O ALA A 73 10.996 -2.952 3.751 1.00 0.00 O ATOM 787 CB ALA A 73 12.060 -1.241 6.228 1.00 0.00 C ATOM 0 H ALA A 73 9.928 -0.800 7.249 1.00 0.00 H new ATOM 0 HA ALA A 73 10.933 -0.525 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.878 -1.594 5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.287 -0.238 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.938 -1.913 7.077 1.00 0.00 H new ATOM 793 N PHE A 74 9.522 -3.303 5.438 1.00 0.00 N ATOM 794 CA PHE A 74 8.965 -4.534 4.893 1.00 0.00 C ATOM 795 C PHE A 74 8.302 -4.236 3.592 1.00 0.00 C ATOM 796 O PHE A 74 8.733 -4.692 2.555 1.00 0.00 O ATOM 797 CB PHE A 74 7.893 -5.099 5.818 1.00 0.00 C ATOM 798 CG PHE A 74 7.021 -6.119 5.273 1.00 0.00 C ATOM 799 CD1 PHE A 74 7.455 -7.373 4.916 1.00 0.00 C ATOM 800 CD2 PHE A 74 5.750 -5.810 5.142 1.00 0.00 C ATOM 801 CE1 PHE A 74 6.553 -8.284 4.422 1.00 0.00 C ATOM 802 CE2 PHE A 74 4.869 -6.648 4.680 1.00 0.00 C ATOM 803 CZ PHE A 74 5.233 -7.907 4.302 1.00 0.00 C ATOM 0 H PHE A 74 9.147 -3.051 6.352 1.00 0.00 H new ATOM 0 HA PHE A 74 9.779 -5.250 4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.388 -5.512 6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.272 -4.271 6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.496 -7.640 5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.424 -4.821 5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.872 -9.275 4.134 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.836 -6.343 4.595 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.498 -8.597 3.915 1.00 0.00 H new ATOM 813 N ILE A 75 7.335 -3.335 3.675 1.00 0.00 N ATOM 814 CA ILE A 75 6.387 -3.000 2.616 1.00 0.00 C ATOM 815 C ILE A 75 7.158 -2.531 1.474 1.00 0.00 C ATOM 816 O ILE A 75 6.953 -2.926 0.337 1.00 0.00 O ATOM 817 CB ILE A 75 5.470 -1.840 3.087 1.00 0.00 C ATOM 818 CG1 ILE A 75 4.725 -2.189 4.394 1.00 0.00 C ATOM 819 CG2 ILE A 75 4.528 -1.429 1.989 1.00 0.00 C ATOM 820 CD1 ILE A 75 3.743 -3.293 4.284 1.00 0.00 C ATOM 0 H ILE A 75 7.180 -2.789 4.523 1.00 0.00 H new ATOM 0 HA ILE A 75 5.779 -3.869 2.364 1.00 0.00 H new ATOM 0 HB ILE A 75 6.104 -0.983 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.461 -2.453 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.207 -1.297 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.894 -0.615 2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.101 -1.096 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.905 -2.278 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.274 -3.461 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.979 -3.029 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.252 -4.202 3.965 1.00 0.00 H new ATOM 832 N LEU A 76 8.109 -1.787 1.837 1.00 0.00 N ATOM 833 CA LEU A 76 8.992 -1.143 1.001 1.00 0.00 C ATOM 834 C LEU A 76 9.688 -2.100 0.044 1.00 0.00 C ATOM 835 O LEU A 76 9.688 -1.895 -1.138 1.00 0.00 O ATOM 836 CB LEU A 76 9.976 -0.436 1.871 1.00 0.00 C ATOM 837 CG LEU A 76 10.200 0.965 1.462 1.00 0.00 C ATOM 838 CD1 LEU A 76 9.014 1.736 1.877 1.00 0.00 C ATOM 839 CD2 LEU A 76 11.449 1.588 1.972 1.00 0.00 C ATOM 0 H LEU A 76 8.300 -1.601 2.822 1.00 0.00 H new ATOM 0 HA LEU A 76 8.455 -0.439 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.623 -0.456 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.925 -0.972 1.848 1.00 0.00 H new ATOM 0 HG LEU A 76 10.339 0.973 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.141 2.780 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.128 1.331 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.895 1.667 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.516 2.615 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.439 1.584 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.310 1.022 1.615 1.00 0.00 H new ATOM 851 N ASP A 77 10.238 -3.141 0.547 1.00 0.00 N ATOM 852 CA ASP A 77 10.938 -4.121 -0.322 1.00 0.00 C ATOM 853 C ASP A 77 9.979 -5.096 -0.866 1.00 0.00 C ATOM 854 O ASP A 77 10.104 -5.530 -1.999 1.00 0.00 O ATOM 855 CB ASP A 77 11.957 -4.899 0.472 1.00 0.00 C ATOM 856 CG ASP A 77 12.769 -5.884 -0.362 1.00 0.00 C ATOM 857 OD1 ASP A 77 13.715 -5.445 -1.071 1.00 0.00 O ATOM 858 OD2 ASP A 77 12.484 -7.093 -0.335 1.00 0.00 O ATOM 0 H ASP A 77 10.239 -3.370 1.541 1.00 0.00 H new ATOM 0 HA ASP A 77 11.421 -3.561 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.639 -4.199 0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.446 -5.445 1.265 1.00 0.00 H new ATOM 863 N THR A 78 8.967 -5.330 -0.107 1.00 0.00 N ATOM 864 CA THR A 78 8.069 -6.419 -0.322 1.00 0.00 C ATOM 865 C THR A 78 7.217 -6.165 -1.492 1.00 0.00 C ATOM 866 O THR A 78 6.848 -7.084 -2.248 1.00 0.00 O ATOM 867 CB THR A 78 7.263 -6.667 0.936 1.00 0.00 C ATOM 868 OG1 THR A 78 8.154 -7.149 1.940 1.00 0.00 O ATOM 869 CG2 THR A 78 6.144 -7.632 0.731 1.00 0.00 C ATOM 0 H THR A 78 8.731 -4.757 0.703 1.00 0.00 H new ATOM 0 HA THR A 78 8.636 -7.324 -0.539 1.00 0.00 H new ATOM 0 HB THR A 78 6.798 -5.729 1.238 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.663 -7.277 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.604 -7.768 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.463 -7.244 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.546 -8.590 0.401 1.00 0.00 H new ATOM 877 N LEU A 79 6.973 -4.927 -1.668 1.00 0.00 N ATOM 878 CA LEU A 79 6.239 -4.452 -2.715 1.00 0.00 C ATOM 879 C LEU A 79 6.879 -4.879 -4.027 1.00 0.00 C ATOM 880 O LEU A 79 6.291 -5.577 -4.821 1.00 0.00 O ATOM 881 CB LEU A 79 6.227 -2.971 -2.628 1.00 0.00 C ATOM 882 CG LEU A 79 4.905 -2.312 -2.774 1.00 0.00 C ATOM 883 CD1 LEU A 79 4.080 -2.997 -3.823 1.00 0.00 C ATOM 884 CD2 LEU A 79 4.193 -2.271 -1.424 1.00 0.00 C ATOM 0 H LEU A 79 7.308 -4.198 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 79 5.224 -4.846 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.648 -2.682 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.891 -2.578 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 79 5.053 -1.285 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.116 -2.496 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.600 -2.955 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.924 -4.038 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.224 -1.786 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.049 -3.287 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.797 -1.710 -0.711 1.00 0.00 H new ATOM 896 N LYS A 80 8.095 -4.459 -4.193 1.00 0.00 N ATOM 897 CA LYS A 80 8.881 -4.758 -5.370 1.00 0.00 C ATOM 898 C LYS A 80 9.347 -6.221 -5.459 1.00 0.00 C ATOM 899 O LYS A 80 9.528 -6.746 -6.558 1.00 0.00 O ATOM 900 CB LYS A 80 10.063 -3.831 -5.402 1.00 0.00 C ATOM 901 CG LYS A 80 9.635 -2.401 -5.394 1.00 0.00 C ATOM 902 CD LYS A 80 9.933 -1.791 -4.079 1.00 0.00 C ATOM 903 CE LYS A 80 11.454 -1.641 -3.865 1.00 0.00 C ATOM 904 NZ LYS A 80 11.821 -0.992 -2.580 1.00 0.00 N ATOM 0 H LYS A 80 8.587 -3.887 -3.506 1.00 0.00 H new ATOM 0 HA LYS A 80 8.237 -4.608 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.703 -4.025 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.658 -4.029 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.151 -1.854 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.568 -2.331 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.456 -0.813 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.510 -2.407 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.916 -2.627 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.871 -1.059 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.690 -1.426 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.981 0.024 -2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.049 -1.119 -1.894 1.00 0.00 H new ATOM 918 N LYS A 81 9.566 -6.864 -4.313 1.00 0.00 N ATOM 919 CA LYS A 81 10.056 -8.177 -4.257 1.00 0.00 C ATOM 920 C LYS A 81 9.061 -9.219 -4.830 1.00 0.00 C ATOM 921 O LYS A 81 9.435 -10.052 -5.653 1.00 0.00 O ATOM 922 CB LYS A 81 10.464 -8.472 -2.818 1.00 0.00 C ATOM 923 CG LYS A 81 9.381 -8.919 -1.959 1.00 0.00 C ATOM 924 CD LYS A 81 9.841 -9.176 -0.536 1.00 0.00 C ATOM 925 CE LYS A 81 10.752 -10.350 -0.501 1.00 0.00 C ATOM 926 NZ LYS A 81 11.010 -10.809 0.879 1.00 0.00 N ATOM 0 H LYS A 81 9.394 -6.450 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 81 10.930 -8.262 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.243 -9.235 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.903 -7.572 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.592 -8.167 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.949 -9.832 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.353 -8.296 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.979 -9.355 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.316 -11.165 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.696 -10.090 -0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.649 -11.629 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.450 -10.040 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.112 -11.081 1.328 1.00 0.00 H new ATOM 940 N GLN A 82 7.811 -9.146 -4.424 1.00 0.00 N ATOM 941 CA GLN A 82 6.820 -10.121 -4.822 1.00 0.00 C ATOM 942 C GLN A 82 5.970 -9.589 -5.932 1.00 0.00 C ATOM 943 O GLN A 82 5.660 -10.292 -6.904 1.00 0.00 O ATOM 944 CB GLN A 82 5.942 -10.423 -3.643 1.00 0.00 C ATOM 945 CG GLN A 82 4.969 -11.574 -3.845 1.00 0.00 C ATOM 946 CD GLN A 82 5.658 -12.920 -3.941 1.00 0.00 C ATOM 947 OE1 GLN A 82 5.968 -13.400 -5.029 1.00 0.00 O ATOM 948 NE2 GLN A 82 5.974 -13.495 -2.812 1.00 0.00 N ATOM 0 H GLN A 82 7.455 -8.412 -3.811 1.00 0.00 H new ATOM 0 HA GLN A 82 7.328 -11.021 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.576 -10.649 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.374 -9.527 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.260 -11.593 -3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.393 -11.401 -4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.700 -13.067 -1.928 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.495 -14.372 -2.815 1.00 0.00 H new ATOM 957 N TRP A 83 5.594 -8.353 -5.791 1.00 0.00 N ATOM 958 CA TRP A 83 4.697 -7.728 -6.697 1.00 0.00 C ATOM 959 C TRP A 83 5.498 -6.754 -7.572 1.00 0.00 C ATOM 960 O TRP A 83 6.733 -6.817 -7.588 1.00 0.00 O ATOM 961 CB TRP A 83 3.584 -7.019 -5.893 1.00 0.00 C ATOM 962 CG TRP A 83 2.935 -7.896 -4.827 1.00 0.00 C ATOM 963 CD1 TRP A 83 2.187 -9.029 -4.990 1.00 0.00 C ATOM 964 CD2 TRP A 83 2.972 -7.653 -3.432 1.00 0.00 C ATOM 965 NE1 TRP A 83 1.784 -9.500 -3.750 1.00 0.00 N ATOM 966 CE2 TRP A 83 2.254 -8.659 -2.789 1.00 0.00 C ATOM 967 CE3 TRP A 83 3.551 -6.675 -2.687 1.00 0.00 C ATOM 968 CZ2 TRP A 83 2.106 -8.695 -1.407 1.00 0.00 C ATOM 969 CZ3 TRP A 83 3.417 -6.684 -1.322 1.00 0.00 C ATOM 970 CH2 TRP A 83 2.697 -7.687 -0.681 1.00 0.00 C ATOM 0 H TRP A 83 5.909 -7.749 -5.032 1.00 0.00 H new ATOM 0 HA TRP A 83 4.215 -8.454 -7.351 1.00 0.00 H new ATOM 0 HB2 TRP A 83 4.003 -6.134 -5.415 1.00 0.00 H new ATOM 0 HB3 TRP A 83 2.814 -6.674 -6.584 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.947 -9.486 -5.939 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.227 -10.339 -3.585 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.116 -5.891 -3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.549 -9.483 -0.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.877 -5.902 -0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.601 -7.674 0.395 1.00 0.00 H new ATOM 981 N LYS A 84 4.824 -5.885 -8.294 1.00 0.00 N ATOM 982 CA LYS A 84 5.496 -4.933 -9.184 1.00 0.00 C ATOM 983 C LYS A 84 6.325 -3.929 -8.405 1.00 0.00 C ATOM 984 O LYS A 84 7.566 -3.972 -8.403 1.00 0.00 O ATOM 985 CB LYS A 84 4.476 -4.205 -10.052 1.00 0.00 C ATOM 986 CG LYS A 84 3.631 -5.102 -10.933 1.00 0.00 C ATOM 987 CD LYS A 84 2.480 -4.332 -11.553 1.00 0.00 C ATOM 988 CE LYS A 84 2.946 -3.266 -12.529 1.00 0.00 C ATOM 989 NZ LYS A 84 1.808 -2.482 -13.041 1.00 0.00 N ATOM 0 H LYS A 84 3.807 -5.810 -8.289 1.00 0.00 H new ATOM 0 HA LYS A 84 6.171 -5.502 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.815 -3.629 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.003 -3.491 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.251 -5.532 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.242 -5.933 -10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.819 -5.028 -12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.894 -3.864 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.656 -2.602 -12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.472 -3.735 -13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.146 -1.806 -13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.111 -3.122 -13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.363 -1.963 -12.257 1.00 0.00 H new ATOM 1003 N GLY A 85 5.642 -3.044 -7.765 1.00 0.00 N ATOM 1004 CA GLY A 85 6.235 -2.047 -6.998 1.00 0.00 C ATOM 1005 C GLY A 85 6.343 -0.762 -7.693 1.00 0.00 C ATOM 1006 O GLY A 85 7.116 -0.593 -8.631 1.00 0.00 O ATOM 0 H GLY A 85 4.623 -3.008 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.656 -1.910 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.231 -2.374 -6.698 1.00 0.00 H new ATOM 1010 N PRO A 86 5.588 0.144 -7.245 1.00 0.00 N ATOM 1011 CA PRO A 86 5.572 1.480 -7.729 1.00 0.00 C ATOM 1012 C PRO A 86 6.599 2.308 -6.973 1.00 0.00 C ATOM 1013 O PRO A 86 7.348 1.756 -6.182 1.00 0.00 O ATOM 1014 CB PRO A 86 4.158 1.875 -7.452 1.00 0.00 C ATOM 1015 CG PRO A 86 3.753 1.108 -6.246 1.00 0.00 C ATOM 1016 CD PRO A 86 4.689 -0.023 -6.117 1.00 0.00 C ATOM 0 HA PRO A 86 5.838 1.614 -8.777 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.079 2.948 -7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.513 1.641 -8.299 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.787 1.740 -5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.728 0.750 -6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.226 0.008 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.169 -0.980 -6.158 1.00 0.00 H new ATOM 1024 N ASP A 87 6.709 3.578 -7.251 1.00 0.00 N ATOM 1025 CA ASP A 87 7.705 4.388 -6.522 1.00 0.00 C ATOM 1026 C ASP A 87 7.187 4.684 -5.159 1.00 0.00 C ATOM 1027 O ASP A 87 7.928 4.783 -4.198 1.00 0.00 O ATOM 1028 CB ASP A 87 8.007 5.676 -7.212 1.00 0.00 C ATOM 1029 CG ASP A 87 9.298 6.301 -6.700 1.00 0.00 C ATOM 1030 OD1 ASP A 87 10.380 5.741 -6.960 1.00 0.00 O ATOM 1031 OD2 ASP A 87 9.264 7.362 -6.044 1.00 0.00 O ATOM 0 H ASP A 87 6.155 4.079 -7.945 1.00 0.00 H new ATOM 0 HA ASP A 87 8.628 3.810 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.087 5.504 -8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.181 6.372 -7.062 1.00 0.00 H new ATOM 1036 N ASP A 88 5.919 4.849 -5.093 1.00 0.00 N ATOM 1037 CA ASP A 88 5.221 5.004 -3.840 1.00 0.00 C ATOM 1038 C ASP A 88 3.887 4.319 -3.868 1.00 0.00 C ATOM 1039 O ASP A 88 3.157 4.387 -4.850 1.00 0.00 O ATOM 1040 CB ASP A 88 5.143 6.465 -3.332 1.00 0.00 C ATOM 1041 CG ASP A 88 4.571 7.480 -4.315 1.00 0.00 C ATOM 1042 OD1 ASP A 88 5.323 7.986 -5.179 1.00 0.00 O ATOM 1043 OD2 ASP A 88 3.392 7.845 -4.213 1.00 0.00 O ATOM 0 H ASP A 88 5.313 4.883 -5.912 1.00 0.00 H new ATOM 0 HA ASP A 88 5.831 4.497 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.536 6.483 -2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.146 6.786 -3.050 1.00 0.00 H new ATOM 1048 N ILE A 89 3.614 3.605 -2.812 1.00 0.00 N ATOM 1049 CA ILE A 89 2.378 2.839 -2.645 1.00 0.00 C ATOM 1050 C ILE A 89 1.485 3.562 -1.712 1.00 0.00 C ATOM 1051 O ILE A 89 1.970 4.274 -0.843 1.00 0.00 O ATOM 1052 CB ILE A 89 2.620 1.467 -2.011 1.00 0.00 C ATOM 1053 CG1 ILE A 89 3.223 1.620 -0.611 1.00 0.00 C ATOM 1054 CG2 ILE A 89 3.508 0.687 -2.890 1.00 0.00 C ATOM 1055 CD1 ILE A 89 4.730 1.622 -0.508 1.00 0.00 C ATOM 0 H ILE A 89 4.249 3.528 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 89 1.951 2.715 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 89 1.672 0.940 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.853 2.552 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.842 0.810 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.688 -0.293 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.038 0.565 -3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.456 1.212 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.023 1.737 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.122 0.681 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.133 2.449 -1.092 1.00 0.00 H new ATOM 1067 N LEU A 90 0.199 3.407 -1.845 1.00 0.00 N ATOM 1068 CA LEU A 90 -0.653 4.096 -0.963 1.00 0.00 C ATOM 1069 C LEU A 90 -0.589 3.434 0.380 1.00 0.00 C ATOM 1070 O LEU A 90 -0.552 2.208 0.470 1.00 0.00 O ATOM 1071 CB LEU A 90 -2.106 4.169 -1.486 1.00 0.00 C ATOM 1072 CG LEU A 90 -2.823 5.512 -1.511 1.00 0.00 C ATOM 1073 CD1 LEU A 90 -4.143 5.339 -2.152 1.00 0.00 C ATOM 1074 CD2 LEU A 90 -3.035 6.062 -0.146 1.00 0.00 C ATOM 0 H LEU A 90 -0.260 2.821 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.313 5.128 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.108 3.778 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.706 3.489 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.196 6.210 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.665 6.296 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.008 4.975 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.732 4.618 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.550 7.020 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.640 5.367 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.071 6.203 0.343 1.00 0.00 H new ATOM 1086 N LEU A 91 -0.532 4.244 1.400 1.00 0.00 N ATOM 1087 CA LEU A 91 -0.608 3.757 2.722 1.00 0.00 C ATOM 1088 C LEU A 91 -2.020 3.634 3.021 1.00 0.00 C ATOM 1089 O LEU A 91 -2.855 4.332 2.451 1.00 0.00 O ATOM 1090 CB LEU A 91 -0.054 4.707 3.768 1.00 0.00 C ATOM 1091 CG LEU A 91 1.344 4.469 4.379 1.00 0.00 C ATOM 1092 CD1 LEU A 91 2.065 3.282 3.813 1.00 0.00 C ATOM 1093 CD2 LEU A 91 2.190 5.689 4.329 1.00 0.00 C ATOM 0 H LEU A 91 -0.432 5.256 1.324 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.029 2.834 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.047 5.704 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.766 4.729 4.593 1.00 0.00 H new ATOM 0 HG LEU A 91 1.156 4.230 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.038 3.184 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.479 2.381 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.203 3.417 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.164 5.475 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.321 5.999 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.707 6.490 4.889 1.00 0.00 H new ATOM 1105 N GLY A 92 -2.293 2.859 3.951 1.00 0.00 N ATOM 1106 CA GLY A 92 -3.637 2.628 4.290 1.00 0.00 C ATOM 1107 C GLY A 92 -4.025 3.524 5.380 1.00 0.00 C ATOM 1108 O GLY A 92 -4.505 3.095 6.424 1.00 0.00 O ATOM 0 H GLY A 92 -1.607 2.355 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.276 2.795 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.774 1.590 4.592 1.00 0.00 H new ATOM 1112 N MET A 93 -3.807 4.773 5.150 1.00 0.00 N ATOM 1113 CA MET A 93 -4.046 5.734 6.099 1.00 0.00 C ATOM 1114 C MET A 93 -4.927 6.748 5.520 1.00 0.00 C ATOM 1115 O MET A 93 -4.755 7.142 4.361 1.00 0.00 O ATOM 1116 CB MET A 93 -2.773 6.327 6.681 1.00 0.00 C ATOM 1117 CG MET A 93 -2.609 7.821 6.473 1.00 0.00 C ATOM 1118 SD MET A 93 -1.123 8.465 7.227 1.00 0.00 S ATOM 1119 CE MET A 93 0.083 7.302 6.655 1.00 0.00 C ATOM 0 H MET A 93 -3.449 5.135 4.266 1.00 0.00 H new ATOM 0 HA MET A 93 -4.542 5.271 6.952 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.749 6.119 7.751 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.917 5.817 6.238 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.591 8.035 5.404 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.475 8.338 6.887 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.050 7.796 6.562 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.162 6.480 7.367 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.220 6.912 5.683 1.00 0.00 H new ATOM 1129 N PHE A 94 -5.850 7.171 6.271 1.00 0.00 N ATOM 1130 CA PHE A 94 -6.793 8.059 5.777 1.00 0.00 C ATOM 1131 C PHE A 94 -6.847 9.246 6.604 1.00 0.00 C ATOM 1132 O PHE A 94 -6.640 9.191 7.814 1.00 0.00 O ATOM 1133 CB PHE A 94 -8.145 7.399 5.629 1.00 0.00 C ATOM 1134 CG PHE A 94 -8.846 6.943 6.859 1.00 0.00 C ATOM 1135 CD1 PHE A 94 -8.497 5.792 7.389 1.00 0.00 C ATOM 1136 CD2 PHE A 94 -9.881 7.647 7.423 1.00 0.00 C ATOM 1137 CE1 PHE A 94 -9.100 5.258 8.455 1.00 0.00 C ATOM 1138 CE2 PHE A 94 -10.515 7.137 8.529 1.00 0.00 C ATOM 1139 CZ PHE A 94 -10.103 5.918 9.036 1.00 0.00 C ATOM 0 H PHE A 94 -5.971 6.909 7.249 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.490 8.369 4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.802 8.099 5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.023 6.535 4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.679 5.249 6.939 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -10.193 8.591 7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.779 4.302 8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.323 7.680 8.996 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.594 5.500 9.903 1.00 0.00 H new ATOM 1149 N TYR A 95 -7.088 10.306 5.978 1.00 0.00 N ATOM 1150 CA TYR A 95 -7.158 11.535 6.662 1.00 0.00 C ATOM 1151 C TYR A 95 -8.567 11.788 7.046 1.00 0.00 C ATOM 1152 O TYR A 95 -9.406 12.119 6.223 1.00 0.00 O ATOM 1153 CB TYR A 95 -6.564 12.710 5.871 1.00 0.00 C ATOM 1154 CG TYR A 95 -6.556 14.009 6.644 1.00 0.00 C ATOM 1155 CD1 TYR A 95 -6.094 14.036 7.938 1.00 0.00 C ATOM 1156 CD2 TYR A 95 -6.994 15.201 6.080 1.00 0.00 C ATOM 1157 CE1 TYR A 95 -6.054 15.188 8.667 1.00 0.00 C ATOM 1158 CE2 TYR A 95 -6.963 16.382 6.806 1.00 0.00 C ATOM 1159 CZ TYR A 95 -6.488 16.366 8.103 1.00 0.00 C ATOM 1160 OH TYR A 95 -6.422 17.532 8.828 1.00 0.00 O ATOM 0 H TYR A 95 -7.245 10.362 4.972 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.538 11.459 7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.543 12.463 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.135 12.846 4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.752 13.117 8.391 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.363 15.208 5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.684 15.176 9.681 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.307 17.305 6.362 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.766 18.273 8.287 1.00 0.00 H new ATOM 1170 N ASP A 96 -8.829 11.556 8.270 1.00 0.00 N ATOM 1171 CA ASP A 96 -10.092 11.803 8.823 1.00 0.00 C ATOM 1172 C ASP A 96 -10.149 13.257 9.083 1.00 0.00 C ATOM 1173 O ASP A 96 -9.331 13.759 9.831 1.00 0.00 O ATOM 1174 CB ASP A 96 -10.177 11.116 10.111 1.00 0.00 C ATOM 1175 CG ASP A 96 -11.495 11.312 10.798 1.00 0.00 C ATOM 1176 OD1 ASP A 96 -11.636 12.272 11.531 1.00 0.00 O ATOM 1177 OD2 ASP A 96 -12.387 10.467 10.656 1.00 0.00 O ATOM 0 H ASP A 96 -8.151 11.179 8.932 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.893 11.467 8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.009 10.050 9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.379 11.475 10.761 1.00 0.00 H new ATOM 1182 N THR A 97 -11.035 13.938 8.477 1.00 0.00 N ATOM 1183 CA THR A 97 -11.085 15.364 8.619 1.00 0.00 C ATOM 1184 C THR A 97 -11.914 15.799 9.815 1.00 0.00 C ATOM 1185 O THR A 97 -11.913 16.965 10.205 1.00 0.00 O ATOM 1186 CB THR A 97 -11.612 15.980 7.346 1.00 0.00 C ATOM 1187 OG1 THR A 97 -12.862 15.355 7.009 1.00 0.00 O ATOM 1188 CG2 THR A 97 -10.624 15.756 6.227 1.00 0.00 C ATOM 0 H THR A 97 -11.751 13.542 7.867 1.00 0.00 H new ATOM 0 HA THR A 97 -10.070 15.718 8.802 1.00 0.00 H new ATOM 0 HB THR A 97 -11.757 17.051 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 97 -13.213 15.750 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 97 -11.007 16.202 5.309 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.671 16.218 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.479 14.686 6.078 1.00 0.00 H new ATOM 1196 N ASP A 98 -12.585 14.856 10.403 1.00 0.00 N ATOM 1197 CA ASP A 98 -13.459 15.124 11.541 1.00 0.00 C ATOM 1198 C ASP A 98 -12.618 15.351 12.786 1.00 0.00 C ATOM 1199 O ASP A 98 -12.818 16.313 13.530 1.00 0.00 O ATOM 1200 CB ASP A 98 -14.417 13.965 11.752 1.00 0.00 C ATOM 1201 CG ASP A 98 -15.562 14.302 12.682 1.00 0.00 C ATOM 1202 OD1 ASP A 98 -16.577 14.857 12.211 1.00 0.00 O ATOM 1203 OD2 ASP A 98 -15.490 14.012 13.882 1.00 0.00 O ATOM 0 H ASP A 98 -12.553 13.876 10.120 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.045 16.021 11.340 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.820 13.654 10.788 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.866 13.116 12.156 1.00 0.00 H new ATOM 1208 N ASP A 99 -11.659 14.480 12.981 1.00 0.00 N ATOM 1209 CA ASP A 99 -10.691 14.604 14.084 1.00 0.00 C ATOM 1210 C ASP A 99 -9.486 15.313 13.590 1.00 0.00 C ATOM 1211 O ASP A 99 -8.749 15.944 14.354 1.00 0.00 O ATOM 1212 CB ASP A 99 -10.213 13.247 14.589 1.00 0.00 C ATOM 1213 CG ASP A 99 -11.192 12.486 15.428 1.00 0.00 C ATOM 1214 OD1 ASP A 99 -12.022 11.740 14.874 1.00 0.00 O ATOM 1215 OD2 ASP A 99 -11.090 12.544 16.665 1.00 0.00 O ATOM 0 H ASP A 99 -11.513 13.661 12.391 1.00 0.00 H new ATOM 0 HA ASP A 99 -11.195 15.137 14.891 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.945 12.633 13.729 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.303 13.396 15.170 1.00 0.00 H new ATOM 1220 N ALA A 100 -9.301 15.208 12.291 1.00 0.00 N ATOM 1221 CA ALA A 100 -8.171 15.714 11.584 1.00 0.00 C ATOM 1222 C ALA A 100 -6.940 14.960 11.980 1.00 0.00 C ATOM 1223 O ALA A 100 -6.013 15.499 12.577 1.00 0.00 O ATOM 1224 CB ALA A 100 -8.023 17.235 11.636 1.00 0.00 C ATOM 0 H ALA A 100 -9.974 14.743 11.681 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.340 15.532 10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.139 17.534 11.073 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.906 17.702 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.919 17.555 12.673 1.00 0.00 H new ATOM 1230 N SER A 101 -6.973 13.679 11.703 1.00 0.00 N ATOM 1231 CA SER A 101 -5.902 12.801 12.023 1.00 0.00 C ATOM 1232 C SER A 101 -5.769 11.798 10.906 1.00 0.00 C ATOM 1233 O SER A 101 -6.725 11.571 10.149 1.00 0.00 O ATOM 1234 CB SER A 101 -6.241 12.043 13.294 1.00 0.00 C ATOM 1235 OG SER A 101 -6.718 12.922 14.314 1.00 0.00 O ATOM 0 H SER A 101 -7.760 13.222 11.243 1.00 0.00 H new ATOM 0 HA SER A 101 -4.981 13.368 12.157 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.998 11.289 13.079 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.357 11.515 13.651 1.00 0.00 H new ATOM 0 HG SER A 101 -6.929 12.405 15.119 1.00 0.00 H new ATOM 1241 N PHE A 102 -4.632 11.229 10.797 1.00 0.00 N ATOM 1242 CA PHE A 102 -4.394 10.183 9.870 1.00 0.00 C ATOM 1243 C PHE A 102 -4.627 8.906 10.578 1.00 0.00 C ATOM 1244 O PHE A 102 -4.082 8.664 11.661 1.00 0.00 O ATOM 1245 CB PHE A 102 -3.010 10.230 9.314 1.00 0.00 C ATOM 1246 CG PHE A 102 -2.732 11.438 8.556 1.00 0.00 C ATOM 1247 CD1 PHE A 102 -3.218 11.571 7.287 1.00 0.00 C ATOM 1248 CD2 PHE A 102 -1.988 12.455 9.116 1.00 0.00 C ATOM 1249 CE1 PHE A 102 -2.962 12.722 6.581 1.00 0.00 C ATOM 1250 CE2 PHE A 102 -1.724 13.592 8.424 1.00 0.00 C ATOM 1251 CZ PHE A 102 -2.208 13.737 7.158 1.00 0.00 C ATOM 0 H PHE A 102 -3.819 11.479 11.360 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.068 10.289 9.020 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.295 10.151 10.133 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.855 9.363 8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.799 10.777 6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.609 12.345 10.121 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.347 12.838 5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.134 14.377 8.873 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.005 14.641 6.603 1.00 0.00 H new ATOM 1261 N LYS A 103 -5.442 8.119 10.006 1.00 0.00 N ATOM 1262 CA LYS A 103 -5.928 6.954 10.636 1.00 0.00 C ATOM 1263 C LYS A 103 -5.618 5.781 9.791 1.00 0.00 C ATOM 1264 O LYS A 103 -5.612 5.891 8.594 1.00 0.00 O ATOM 1265 CB LYS A 103 -7.437 7.123 10.808 1.00 0.00 C ATOM 1266 CG LYS A 103 -7.757 8.448 11.442 1.00 0.00 C ATOM 1267 CD LYS A 103 -9.171 8.546 11.981 1.00 0.00 C ATOM 1268 CE LYS A 103 -9.364 9.726 12.953 1.00 0.00 C ATOM 1269 NZ LYS A 103 -10.699 9.656 13.614 1.00 0.00 N ATOM 0 H LYS A 103 -5.802 8.265 9.063 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.462 6.800 11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.928 7.051 9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.830 6.315 11.425 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.055 8.629 12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.603 9.238 10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.865 8.652 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.425 7.617 12.491 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.578 9.713 13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.270 10.668 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.035 10.618 13.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.375 9.181 12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.619 9.120 14.502 1.00 0.00 H new ATOM 1283 N TRP A 104 -5.333 4.686 10.391 1.00 0.00 N ATOM 1284 CA TRP A 104 -5.069 3.506 9.656 1.00 0.00 C ATOM 1285 C TRP A 104 -6.360 2.818 9.322 1.00 0.00 C ATOM 1286 O TRP A 104 -7.264 2.743 10.156 1.00 0.00 O ATOM 1287 CB TRP A 104 -4.205 2.530 10.452 1.00 0.00 C ATOM 1288 CG TRP A 104 -2.757 2.876 10.610 1.00 0.00 C ATOM 1289 CD1 TRP A 104 -2.071 2.959 11.776 1.00 0.00 C ATOM 1290 CD2 TRP A 104 -1.802 3.147 9.568 1.00 0.00 C ATOM 1291 NE1 TRP A 104 -0.751 3.217 11.527 1.00 0.00 N ATOM 1292 CE2 TRP A 104 -0.566 3.365 10.188 1.00 0.00 C ATOM 1293 CE3 TRP A 104 -1.872 3.221 8.179 1.00 0.00 C ATOM 1294 CZ2 TRP A 104 0.588 3.652 9.471 1.00 0.00 C ATOM 1295 CZ3 TRP A 104 -0.728 3.509 7.469 1.00 0.00 C ATOM 1296 CH2 TRP A 104 0.487 3.721 8.115 1.00 0.00 C ATOM 0 H TRP A 104 -5.276 4.582 11.404 1.00 0.00 H new ATOM 0 HA TRP A 104 -4.536 3.798 8.751 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.639 2.427 11.447 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -4.269 1.553 9.973 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -2.503 2.839 12.758 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -0.020 3.287 12.235 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -2.808 3.055 7.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.531 3.815 9.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.774 3.572 6.392 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.366 3.944 7.529 1.00 0.00 H new ATOM 1307 N PHE A 105 -6.443 2.281 8.123 1.00 0.00 N ATOM 1308 CA PHE A 105 -7.569 1.458 7.747 1.00 0.00 C ATOM 1309 C PHE A 105 -7.545 0.149 8.532 1.00 0.00 C ATOM 1310 O PHE A 105 -8.509 -0.581 8.568 1.00 0.00 O ATOM 1311 CB PHE A 105 -7.627 1.189 6.244 1.00 0.00 C ATOM 1312 CG PHE A 105 -8.289 2.277 5.466 1.00 0.00 C ATOM 1313 CD1 PHE A 105 -9.622 2.568 5.693 1.00 0.00 C ATOM 1314 CD2 PHE A 105 -7.605 3.016 4.513 1.00 0.00 C ATOM 1315 CE1 PHE A 105 -10.248 3.563 4.990 1.00 0.00 C ATOM 1316 CE2 PHE A 105 -8.220 3.982 3.833 1.00 0.00 C ATOM 1317 CZ PHE A 105 -9.539 4.270 4.056 1.00 0.00 C ATOM 0 H PHE A 105 -5.742 2.401 7.392 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.474 2.012 7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.613 1.051 5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.160 0.254 6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -10.174 2.006 6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.563 2.806 4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.289 3.787 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.670 4.546 3.095 1.00 0.00 H new ATOM 0 HZ PHE A 105 -10.022 5.056 3.494 1.00 0.00 H new ATOM 1327 N ASP A 106 -6.413 -0.096 9.183 1.00 0.00 N ATOM 1328 CA ASP A 106 -6.214 -1.241 10.094 1.00 0.00 C ATOM 1329 C ASP A 106 -7.057 -1.049 11.360 1.00 0.00 C ATOM 1330 O ASP A 106 -7.244 -1.975 12.150 1.00 0.00 O ATOM 1331 CB ASP A 106 -4.723 -1.320 10.447 1.00 0.00 C ATOM 1332 CG ASP A 106 -4.332 -2.373 11.467 1.00 0.00 C ATOM 1333 OD1 ASP A 106 -4.439 -3.578 11.173 1.00 0.00 O ATOM 1334 OD2 ASP A 106 -3.835 -2.001 12.552 1.00 0.00 O ATOM 0 H ASP A 106 -5.589 0.499 9.098 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.528 -2.168 9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.163 -1.506 9.530 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.407 -0.346 10.821 1.00 0.00 H new ATOM 1339 N ASN A 107 -7.555 0.193 11.528 1.00 0.00 N ATOM 1340 CA ASN A 107 -8.434 0.619 12.633 1.00 0.00 C ATOM 1341 C ASN A 107 -7.684 0.747 13.932 1.00 0.00 C ATOM 1342 O ASN A 107 -8.274 0.944 14.989 1.00 0.00 O ATOM 1343 CB ASN A 107 -9.680 -0.282 12.800 1.00 0.00 C ATOM 1344 CG ASN A 107 -10.579 -0.282 11.582 1.00 0.00 C ATOM 1345 OD1 ASN A 107 -10.434 -1.106 10.684 1.00 0.00 O ATOM 1346 ND2 ASN A 107 -11.500 0.632 11.528 1.00 0.00 N ATOM 0 H ASN A 107 -7.349 0.950 10.877 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.797 1.608 12.354 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.358 -1.303 13.007 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.251 0.054 13.666 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.126 0.678 10.724 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.597 1.304 12.289 1.00 0.00 H new ATOM 1353 N SER A 108 -6.395 0.673 13.852 1.00 0.00 N ATOM 1354 CA SER A 108 -5.569 0.799 15.005 1.00 0.00 C ATOM 1355 C SER A 108 -4.852 2.138 14.954 1.00 0.00 C ATOM 1356 O SER A 108 -4.774 2.759 13.879 1.00 0.00 O ATOM 1357 CB SER A 108 -4.580 -0.347 15.039 1.00 0.00 C ATOM 1358 OG SER A 108 -5.237 -1.604 14.837 1.00 0.00 O ATOM 0 H SER A 108 -5.885 0.523 12.981 1.00 0.00 H new ATOM 0 HA SER A 108 -6.171 0.760 15.913 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.823 -0.201 14.268 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.061 -0.355 15.997 1.00 0.00 H new ATOM 0 HG SER A 108 -4.894 -2.025 14.021 1.00 0.00 H new ATOM 1364 N ASN A 109 -4.363 2.586 16.093 1.00 0.00 N ATOM 1365 CA ASN A 109 -3.649 3.861 16.216 1.00 0.00 C ATOM 1366 C ASN A 109 -2.409 3.886 15.339 1.00 0.00 C ATOM 1367 O ASN A 109 -1.767 2.841 15.104 1.00 0.00 O ATOM 1368 CB ASN A 109 -3.198 4.085 17.674 1.00 0.00 C ATOM 1369 CG ASN A 109 -2.524 5.396 17.917 1.00 0.00 C ATOM 1370 OD1 ASN A 109 -2.768 6.385 17.235 1.00 0.00 O ATOM 1371 ND2 ASN A 109 -1.713 5.434 18.905 1.00 0.00 N ATOM 0 H ASN A 109 -4.446 2.077 16.973 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.338 4.645 15.901 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.068 4.011 18.326 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.518 3.282 17.958 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.245 6.307 19.148 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.534 4.591 19.451 1.00 0.00 H new ATOM 1378 N MET A 110 -2.073 5.052 14.844 1.00 0.00 N ATOM 1379 CA MET A 110 -0.846 5.219 14.147 1.00 0.00 C ATOM 1380 C MET A 110 0.242 5.375 15.185 1.00 0.00 C ATOM 1381 O MET A 110 0.499 6.463 15.700 1.00 0.00 O ATOM 1382 CB MET A 110 -0.916 6.408 13.209 1.00 0.00 C ATOM 1383 CG MET A 110 0.328 6.630 12.370 1.00 0.00 C ATOM 1384 SD MET A 110 0.062 7.862 11.090 1.00 0.00 S ATOM 1385 CE MET A 110 -1.312 7.095 10.226 1.00 0.00 C ATOM 0 H MET A 110 -2.642 5.895 14.917 1.00 0.00 H new ATOM 0 HA MET A 110 -0.632 4.354 13.519 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.768 6.277 12.542 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.106 7.306 13.797 1.00 0.00 H new ATOM 0 HG2 MET A 110 1.148 6.947 13.014 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.629 5.688 11.911 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.007 6.841 9.211 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.613 6.189 10.752 1.00 0.00 H new ATOM 0 HE3 MET A 110 -2.152 7.789 10.189 1.00 0.00 H new ATOM 1395 N THR A 111 0.801 4.263 15.546 1.00 0.00 N ATOM 1396 CA THR A 111 1.776 4.185 16.582 1.00 0.00 C ATOM 1397 C THR A 111 3.192 4.353 16.033 1.00 0.00 C ATOM 1398 O THR A 111 4.132 4.636 16.774 1.00 0.00 O ATOM 1399 CB THR A 111 1.618 2.834 17.278 1.00 0.00 C ATOM 1400 OG1 THR A 111 1.608 1.796 16.272 1.00 0.00 O ATOM 1401 CG2 THR A 111 0.303 2.788 18.069 1.00 0.00 C ATOM 0 H THR A 111 0.585 3.363 15.116 1.00 0.00 H new ATOM 0 HA THR A 111 1.619 4.996 17.293 1.00 0.00 H new ATOM 0 HB THR A 111 2.446 2.686 17.971 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.728 1.365 16.255 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.206 1.819 18.558 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.303 3.576 18.822 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.536 2.936 17.389 1.00 0.00 H new ATOM 1409 N PHE A 112 3.337 4.188 14.733 1.00 0.00 N ATOM 1410 CA PHE A 112 4.603 4.361 14.085 1.00 0.00 C ATOM 1411 C PHE A 112 4.390 5.205 12.877 1.00 0.00 C ATOM 1412 O PHE A 112 3.271 5.243 12.352 1.00 0.00 O ATOM 1413 CB PHE A 112 5.218 3.035 13.661 1.00 0.00 C ATOM 1414 CG PHE A 112 6.658 3.194 13.305 1.00 0.00 C ATOM 1415 CD1 PHE A 112 7.616 3.401 14.278 1.00 0.00 C ATOM 1416 CD2 PHE A 112 7.029 3.194 12.004 1.00 0.00 C ATOM 1417 CE1 PHE A 112 8.934 3.596 13.931 1.00 0.00 C ATOM 1418 CE2 PHE A 112 8.340 3.396 11.634 1.00 0.00 C ATOM 1419 CZ PHE A 112 9.298 3.597 12.604 1.00 0.00 C ATOM 0 H PHE A 112 2.576 3.931 14.105 1.00 0.00 H new ATOM 0 HA PHE A 112 5.290 4.830 14.789 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.119 2.311 14.470 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.672 2.635 12.806 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.329 3.410 15.319 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.282 3.032 11.241 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.680 3.748 14.698 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.616 3.397 10.590 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.329 3.754 12.324 1.00 0.00 H new ATOM 1429 N ASP A 113 5.431 5.878 12.436 1.00 0.00 N ATOM 1430 CA ASP A 113 5.348 6.717 11.285 1.00 0.00 C ATOM 1431 C ASP A 113 6.680 6.967 10.711 1.00 0.00 C ATOM 1432 O ASP A 113 7.702 6.897 11.404 1.00 0.00 O ATOM 1433 CB ASP A 113 4.676 8.041 11.591 1.00 0.00 C ATOM 1434 CG ASP A 113 5.503 8.892 12.537 1.00 0.00 C ATOM 1435 OD1 ASP A 113 5.336 8.752 13.770 1.00 0.00 O ATOM 1436 OD2 ASP A 113 6.350 9.674 12.077 1.00 0.00 O ATOM 0 H ASP A 113 6.353 5.852 12.872 1.00 0.00 H new ATOM 0 HA ASP A 113 4.737 6.182 10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.511 8.587 10.662 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.696 7.857 12.031 1.00 0.00 H new ATOM 1441 N LYS A 114 6.674 7.183 9.431 1.00 0.00 N ATOM 1442 CA LYS A 114 7.828 7.588 8.729 1.00 0.00 C ATOM 1443 C LYS A 114 7.466 8.813 7.910 1.00 0.00 C ATOM 1444 O LYS A 114 7.407 8.768 6.698 1.00 0.00 O ATOM 1445 CB LYS A 114 8.252 6.488 7.797 1.00 0.00 C ATOM 1446 CG LYS A 114 8.719 5.216 8.448 1.00 0.00 C ATOM 1447 CD LYS A 114 10.065 5.360 9.096 1.00 0.00 C ATOM 1448 CE LYS A 114 11.137 5.711 8.072 1.00 0.00 C ATOM 1449 NZ LYS A 114 11.202 4.799 6.946 1.00 0.00 N ATOM 0 H LYS A 114 5.846 7.078 8.845 1.00 0.00 H new ATOM 0 HA LYS A 114 8.639 7.810 9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.414 6.251 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.055 6.865 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.990 4.907 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.763 4.424 7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.022 6.135 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.330 4.430 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.952 6.719 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.107 5.728 8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.103 4.931 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.137 3.819 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.413 4.992 6.297 1.00 0.00 H new ATOM 1463 N TRP A 115 7.221 9.886 8.568 1.00 0.00 N ATOM 1464 CA TRP A 115 6.793 11.094 7.904 1.00 0.00 C ATOM 1465 C TRP A 115 7.952 11.909 7.383 1.00 0.00 C ATOM 1466 O TRP A 115 8.993 12.032 8.047 1.00 0.00 O ATOM 1467 CB TRP A 115 5.952 11.955 8.824 1.00 0.00 C ATOM 1468 CG TRP A 115 4.602 11.448 9.108 1.00 0.00 C ATOM 1469 CD1 TRP A 115 4.139 11.020 10.273 1.00 0.00 C ATOM 1470 CD2 TRP A 115 3.545 11.361 8.198 1.00 0.00 C ATOM 1471 NE1 TRP A 115 2.828 10.645 10.162 1.00 0.00 N ATOM 1472 CE2 TRP A 115 2.439 10.850 8.883 1.00 0.00 C ATOM 1473 CE3 TRP A 115 3.429 11.664 6.870 1.00 0.00 C ATOM 1474 CZ2 TRP A 115 1.226 10.639 8.266 1.00 0.00 C ATOM 1475 CZ3 TRP A 115 2.245 11.457 6.264 1.00 0.00 C ATOM 1476 CH2 TRP A 115 1.145 10.950 6.946 1.00 0.00 C ATOM 0 H TRP A 115 7.307 9.967 9.581 1.00 0.00 H new ATOM 0 HA TRP A 115 6.193 10.774 7.052 1.00 0.00 H new ATOM 0 HB2 TRP A 115 6.483 12.073 9.769 1.00 0.00 H new ATOM 0 HB3 TRP A 115 5.863 12.948 8.383 1.00 0.00 H new ATOM 0 HD1 TRP A 115 4.717 10.974 11.184 1.00 0.00 H new ATOM 0 HE1 TRP A 115 2.245 10.275 10.913 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.269 12.061 6.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 0.378 10.245 8.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 2.147 11.692 5.215 1.00 0.00 H new ATOM 0 HH2 TRP A 115 0.214 10.801 6.420 1.00 0.00 H new ATOM 1487 N THR A 116 7.775 12.442 6.201 1.00 0.00 N ATOM 1488 CA THR A 116 8.719 13.345 5.616 1.00 0.00 C ATOM 1489 C THR A 116 8.066 14.724 5.616 1.00 0.00 C ATOM 1490 O THR A 116 6.857 14.837 5.894 1.00 0.00 O ATOM 1491 CB THR A 116 9.106 12.916 4.163 1.00 0.00 C ATOM 1492 OG1 THR A 116 10.170 13.730 3.645 1.00 0.00 O ATOM 1493 CG2 THR A 116 7.922 12.959 3.201 1.00 0.00 C ATOM 0 H THR A 116 6.961 12.256 5.615 1.00 0.00 H new ATOM 0 HA THR A 116 9.646 13.347 6.190 1.00 0.00 H new ATOM 0 HB THR A 116 9.442 11.882 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.843 13.158 3.221 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.249 12.652 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.143 12.282 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.527 13.974 3.155 1.00 0.00 H new ATOM 1501 N ASP A 117 8.816 15.749 5.337 1.00 0.00 N ATOM 1502 CA ASP A 117 8.262 17.095 5.345 1.00 0.00 C ATOM 1503 C ASP A 117 7.642 17.403 4.004 1.00 0.00 C ATOM 1504 O ASP A 117 8.338 17.448 2.986 1.00 0.00 O ATOM 1505 CB ASP A 117 9.320 18.139 5.693 1.00 0.00 C ATOM 1506 CG ASP A 117 8.737 19.535 5.777 1.00 0.00 C ATOM 1507 OD1 ASP A 117 7.993 19.819 6.739 1.00 0.00 O ATOM 1508 OD2 ASP A 117 9.020 20.373 4.897 1.00 0.00 O ATOM 0 H ASP A 117 9.807 15.693 5.101 1.00 0.00 H new ATOM 0 HA ASP A 117 7.494 17.138 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.783 17.882 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.108 18.120 4.940 1.00 0.00 H new ATOM 1513 N GLN A 118 6.354 17.600 3.982 1.00 0.00 N ATOM 1514 CA GLN A 118 5.657 17.819 2.827 1.00 0.00 C ATOM 1515 C GLN A 118 5.099 19.239 2.892 1.00 0.00 C ATOM 1516 O GLN A 118 5.234 19.939 3.905 1.00 0.00 O ATOM 1517 CB GLN A 118 4.523 16.841 2.848 1.00 0.00 C ATOM 1518 CG GLN A 118 3.699 16.816 1.640 1.00 0.00 C ATOM 1519 CD GLN A 118 2.575 15.819 1.692 1.00 0.00 C ATOM 1520 OE1 GLN A 118 2.730 14.691 1.311 1.00 0.00 O ATOM 1521 NE2 GLN A 118 1.434 16.222 2.138 1.00 0.00 N ATOM 0 H GLN A 118 5.774 17.605 4.821 1.00 0.00 H new ATOM 0 HA GLN A 118 6.266 17.703 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 118 4.928 15.843 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.883 17.070 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.283 17.810 1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.334 16.589 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.322 17.184 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.643 15.578 2.172 1.00 0.00 H new ATOM 1530 N ASP A 119 4.509 19.620 1.838 1.00 0.00 N ATOM 1531 CA ASP A 119 3.842 20.851 1.659 1.00 0.00 C ATOM 1532 C ASP A 119 2.452 20.830 2.276 1.00 0.00 C ATOM 1533 O ASP A 119 1.970 19.770 2.743 1.00 0.00 O ATOM 1534 CB ASP A 119 3.738 21.067 0.191 1.00 0.00 C ATOM 1535 CG ASP A 119 2.681 20.223 -0.512 1.00 0.00 C ATOM 1536 OD1 ASP A 119 2.961 19.042 -0.804 1.00 0.00 O ATOM 1537 OD2 ASP A 119 1.587 20.740 -0.843 1.00 0.00 O ATOM 0 H ASP A 119 4.473 19.035 1.003 1.00 0.00 H new ATOM 0 HA ASP A 119 4.395 21.652 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 119 3.521 22.119 0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.708 20.858 -0.261 1.00 0.00 H new ATOM 1542 N ASP A 120 1.879 22.018 2.329 1.00 0.00 N ATOM 1543 CA ASP A 120 0.516 22.318 2.783 1.00 0.00 C ATOM 1544 C ASP A 120 0.478 22.507 4.282 1.00 0.00 C ATOM 1545 O ASP A 120 1.495 22.328 4.960 1.00 0.00 O ATOM 1546 CB ASP A 120 -0.538 21.301 2.309 1.00 0.00 C ATOM 1547 CG ASP A 120 -1.847 21.972 1.951 1.00 0.00 C ATOM 1548 OD1 ASP A 120 -2.362 22.790 2.749 1.00 0.00 O ATOM 1549 OD2 ASP A 120 -2.354 21.736 0.840 1.00 0.00 O ATOM 0 H ASP A 120 2.378 22.859 2.039 1.00 0.00 H new ATOM 0 HA ASP A 120 0.238 23.258 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -0.158 20.761 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -0.710 20.564 3.093 1.00 0.00 H new ATOM 1554 N ASP A 121 -0.666 22.868 4.804 1.00 0.00 N ATOM 1555 CA ASP A 121 -0.778 23.213 6.204 1.00 0.00 C ATOM 1556 C ASP A 121 -1.860 22.421 6.909 1.00 0.00 C ATOM 1557 O ASP A 121 -1.594 21.375 7.503 1.00 0.00 O ATOM 1558 CB ASP A 121 -1.051 24.721 6.389 1.00 0.00 C ATOM 1559 CG ASP A 121 0.012 25.622 5.816 1.00 0.00 C ATOM 1560 OD1 ASP A 121 0.980 25.960 6.532 1.00 0.00 O ATOM 1561 OD2 ASP A 121 -0.116 26.035 4.645 1.00 0.00 O ATOM 0 H ASP A 121 -1.539 22.932 4.280 1.00 0.00 H new ATOM 0 HA ASP A 121 0.181 22.959 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -2.006 24.965 5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -1.153 24.931 7.454 1.00 0.00 H new ATOM 1566 N GLU A 122 -3.084 22.894 6.790 1.00 0.00 N ATOM 1567 CA GLU A 122 -4.191 22.359 7.527 1.00 0.00 C ATOM 1568 C GLU A 122 -4.895 21.286 6.733 1.00 0.00 C ATOM 1569 O GLU A 122 -5.050 20.159 7.189 1.00 0.00 O ATOM 1570 CB GLU A 122 -5.158 23.490 7.831 1.00 0.00 C ATOM 1571 CG GLU A 122 -4.521 24.675 8.535 1.00 0.00 C ATOM 1572 CD GLU A 122 -3.925 24.318 9.881 1.00 0.00 C ATOM 1573 OE1 GLU A 122 -4.670 24.313 10.887 1.00 0.00 O ATOM 1574 OE2 GLU A 122 -2.703 24.042 9.964 1.00 0.00 O ATOM 0 H GLU A 122 -3.332 23.667 6.172 1.00 0.00 H new ATOM 0 HA GLU A 122 -3.827 21.911 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.605 23.832 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.968 23.105 8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.741 25.092 7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -5.271 25.454 8.672 1.00 0.00 H new ATOM 1581 N ASP A 123 -5.316 21.634 5.553 1.00 0.00 N ATOM 1582 CA ASP A 123 -6.024 20.708 4.715 1.00 0.00 C ATOM 1583 C ASP A 123 -5.126 20.144 3.663 1.00 0.00 C ATOM 1584 O ASP A 123 -4.650 20.832 2.784 1.00 0.00 O ATOM 1585 CB ASP A 123 -7.288 21.314 4.078 1.00 0.00 C ATOM 1586 CG ASP A 123 -7.025 22.410 3.056 1.00 0.00 C ATOM 1587 OD1 ASP A 123 -6.582 23.512 3.435 1.00 0.00 O ATOM 1588 OD2 ASP A 123 -7.275 22.191 1.855 1.00 0.00 O ATOM 0 H ASP A 123 -5.181 22.559 5.145 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.358 19.901 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.853 20.516 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.918 21.719 4.870 1.00 0.00 H new ATOM 1593 N LEU A 124 -4.858 18.904 3.797 1.00 0.00 N ATOM 1594 CA LEU A 124 -4.101 18.187 2.837 1.00 0.00 C ATOM 1595 C LEU A 124 -4.963 17.097 2.213 1.00 0.00 C ATOM 1596 O LEU A 124 -4.555 15.960 2.038 1.00 0.00 O ATOM 1597 CB LEU A 124 -2.762 17.656 3.416 1.00 0.00 C ATOM 1598 CG LEU A 124 -2.705 17.142 4.878 1.00 0.00 C ATOM 1599 CD1 LEU A 124 -2.722 18.268 5.900 1.00 0.00 C ATOM 1600 CD2 LEU A 124 -3.796 16.139 5.158 1.00 0.00 C ATOM 0 H LEU A 124 -5.163 18.342 4.592 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.806 18.872 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.429 16.842 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.028 18.456 3.324 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.745 16.636 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.680 17.848 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.860 18.916 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.638 18.848 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.724 15.802 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.768 16.604 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.686 15.285 4.489 1.00 0.00 H new ATOM 1612 N VAL A 125 -6.145 17.488 1.842 1.00 0.00 N ATOM 1613 CA VAL A 125 -7.146 16.587 1.309 1.00 0.00 C ATOM 1614 C VAL A 125 -6.927 16.377 -0.204 1.00 0.00 C ATOM 1615 O VAL A 125 -7.493 15.473 -0.826 1.00 0.00 O ATOM 1616 CB VAL A 125 -8.583 17.141 1.621 1.00 0.00 C ATOM 1617 CG1 VAL A 125 -9.694 16.266 1.051 1.00 0.00 C ATOM 1618 CG2 VAL A 125 -8.760 17.279 3.123 1.00 0.00 C ATOM 0 H VAL A 125 -6.455 18.458 1.899 1.00 0.00 H new ATOM 0 HA VAL A 125 -7.051 15.613 1.790 1.00 0.00 H new ATOM 0 HB VAL A 125 -8.664 18.114 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -10.663 16.700 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -9.590 16.206 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.625 15.266 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -9.757 17.663 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -8.637 16.304 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -8.013 17.969 3.516 1.00 0.00 H new ATOM 1628 N ASP A 126 -6.064 17.179 -0.762 1.00 0.00 N ATOM 1629 CA ASP A 126 -5.752 17.110 -2.203 1.00 0.00 C ATOM 1630 C ASP A 126 -4.661 16.074 -2.470 1.00 0.00 C ATOM 1631 O ASP A 126 -4.414 15.654 -3.602 1.00 0.00 O ATOM 1632 CB ASP A 126 -5.350 18.498 -2.720 1.00 0.00 C ATOM 1633 CG ASP A 126 -4.912 18.526 -4.174 1.00 0.00 C ATOM 1634 OD1 ASP A 126 -5.732 18.233 -5.083 1.00 0.00 O ATOM 1635 OD2 ASP A 126 -3.732 18.826 -4.438 1.00 0.00 O ATOM 0 H ASP A 126 -5.550 17.900 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.643 16.792 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.194 19.177 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -4.538 18.881 -2.102 1.00 0.00 H new ATOM 1640 N THR A 127 -4.060 15.635 -1.421 1.00 0.00 N ATOM 1641 CA THR A 127 -3.013 14.665 -1.480 1.00 0.00 C ATOM 1642 C THR A 127 -3.429 13.471 -0.650 1.00 0.00 C ATOM 1643 O THR A 127 -4.455 13.527 0.026 1.00 0.00 O ATOM 1644 CB THR A 127 -1.657 15.268 -0.987 1.00 0.00 C ATOM 1645 OG1 THR A 127 -0.633 14.259 -0.835 1.00 0.00 O ATOM 1646 CG2 THR A 127 -1.822 16.010 0.306 1.00 0.00 C ATOM 0 H THR A 127 -4.284 15.944 -0.475 1.00 0.00 H new ATOM 0 HA THR A 127 -2.853 14.351 -2.512 1.00 0.00 H new ATOM 0 HB THR A 127 -1.338 15.967 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 127 -0.573 13.993 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.860 16.415 0.618 1.00 0.00 H new ATOM 0 HG22 THR A 127 -2.532 16.826 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 127 -2.194 15.329 1.071 1.00 0.00 H new ATOM 1654 N CYS A 128 -2.648 12.421 -0.685 1.00 0.00 N ATOM 1655 CA CYS A 128 -2.944 11.218 0.045 1.00 0.00 C ATOM 1656 C CYS A 128 -1.679 10.764 0.729 1.00 0.00 C ATOM 1657 O CYS A 128 -0.654 11.441 0.629 1.00 0.00 O ATOM 1658 CB CYS A 128 -3.393 10.103 -0.865 1.00 0.00 C ATOM 1659 SG CYS A 128 -4.022 10.589 -2.493 1.00 0.00 S ATOM 0 H CYS A 128 -1.784 12.378 -1.225 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.745 11.437 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.553 9.425 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.172 9.538 -0.353 1.00 0.00 H new ATOM 1664 N ALA A 129 -1.691 9.583 1.316 1.00 0.00 N ATOM 1665 CA ALA A 129 -0.525 9.137 1.986 1.00 0.00 C ATOM 1666 C ALA A 129 0.042 7.993 1.255 1.00 0.00 C ATOM 1667 O ALA A 129 -0.580 6.972 1.124 1.00 0.00 O ATOM 1668 CB ALA A 129 -0.882 8.662 3.399 1.00 0.00 C ATOM 0 H ALA A 129 -2.484 8.941 1.334 1.00 0.00 H new ATOM 0 HA ALA A 129 0.189 9.959 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.020 8.321 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.324 9.486 3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.596 7.841 3.337 1.00 0.00 H new ATOM 1674 N PHE A 130 1.233 8.128 0.818 1.00 0.00 N ATOM 1675 CA PHE A 130 1.875 7.049 0.169 1.00 0.00 C ATOM 1676 C PHE A 130 3.200 6.899 0.751 1.00 0.00 C ATOM 1677 O PHE A 130 3.897 7.887 0.988 1.00 0.00 O ATOM 1678 CB PHE A 130 2.076 7.199 -1.356 1.00 0.00 C ATOM 1679 CG PHE A 130 0.855 7.252 -2.276 1.00 0.00 C ATOM 1680 CD1 PHE A 130 -0.202 8.108 -2.064 1.00 0.00 C ATOM 1681 CD2 PHE A 130 0.813 6.429 -3.396 1.00 0.00 C ATOM 1682 CE1 PHE A 130 -1.268 8.136 -2.944 1.00 0.00 C ATOM 1683 CE2 PHE A 130 -0.249 6.455 -4.268 1.00 0.00 C ATOM 1684 CZ PHE A 130 -1.289 7.310 -4.043 1.00 0.00 C ATOM 0 H PHE A 130 1.789 8.980 0.897 1.00 0.00 H new ATOM 0 HA PHE A 130 1.213 6.195 0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 130 2.649 8.111 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 130 2.698 6.367 -1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.199 8.762 -1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 130 1.634 5.753 -3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.091 8.812 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -0.261 5.802 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 130 -2.125 7.338 -4.726 1.00 0.00 H new ATOM 1694 N LEU A 131 3.500 5.721 1.056 1.00 0.00 N ATOM 1695 CA LEU A 131 4.817 5.347 1.433 1.00 0.00 C ATOM 1696 C LEU A 131 5.733 5.237 0.212 1.00 0.00 C ATOM 1697 O LEU A 131 5.405 4.591 -0.773 1.00 0.00 O ATOM 1698 CB LEU A 131 4.728 4.051 2.139 1.00 0.00 C ATOM 1699 CG LEU A 131 5.993 3.315 2.380 1.00 0.00 C ATOM 1700 CD1 LEU A 131 6.900 4.063 3.261 1.00 0.00 C ATOM 1701 CD2 LEU A 131 5.709 1.962 2.909 1.00 0.00 C ATOM 0 H LEU A 131 2.832 4.950 1.057 1.00 0.00 H new ATOM 0 HA LEU A 131 5.249 6.108 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.251 4.225 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 131 4.064 3.402 1.568 1.00 0.00 H new ATOM 0 HG LEU A 131 6.507 3.205 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 131 7.815 3.490 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.144 5.021 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.415 4.233 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.647 1.434 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.163 2.046 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.108 1.408 2.188 1.00 0.00 H new ATOM 1713 N HIS A 132 6.856 5.904 0.285 1.00 0.00 N ATOM 1714 CA HIS A 132 7.854 5.877 -0.769 1.00 0.00 C ATOM 1715 C HIS A 132 8.632 4.588 -0.712 1.00 0.00 C ATOM 1716 O HIS A 132 9.292 4.320 0.246 1.00 0.00 O ATOM 1717 CB HIS A 132 8.821 7.045 -0.603 1.00 0.00 C ATOM 1718 CG HIS A 132 9.690 7.355 -1.794 1.00 0.00 C ATOM 1719 ND1 HIS A 132 9.809 6.752 -2.982 1.00 0.00 N flip ATOM 1720 CD2 HIS A 132 10.568 8.396 -1.823 1.00 0.00 C flip ATOM 1721 CE1 HIS A 132 10.736 7.425 -3.701 1.00 0.00 C flip ATOM 1722 NE2 HIS A 132 11.184 8.417 -2.967 1.00 0.00 N flip ATOM 0 H HIS A 132 7.112 6.488 1.081 1.00 0.00 H new ATOM 0 HA HIS A 132 7.345 5.955 -1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 132 8.244 7.937 -0.357 1.00 0.00 H new ATOM 0 HB3 HIS A 132 9.467 6.838 0.250 1.00 0.00 H new ATOM 0 HD1 HIS A 132 9.292 5.929 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 132 10.728 9.097 -1.018 1.00 0.00 H new ATOM 0 HE1 HIS A 132 11.053 7.187 -4.706 1.00 0.00 H new ATOM 1731 N ILE A 133 8.613 3.890 -1.791 1.00 0.00 N ATOM 1732 CA ILE A 133 9.264 2.617 -1.988 1.00 0.00 C ATOM 1733 C ILE A 133 10.783 2.678 -1.860 1.00 0.00 C ATOM 1734 O ILE A 133 11.432 1.671 -1.567 1.00 0.00 O ATOM 1735 CB ILE A 133 8.821 2.044 -3.360 1.00 0.00 C ATOM 1736 CG1 ILE A 133 7.565 1.199 -3.241 1.00 0.00 C ATOM 1737 CG2 ILE A 133 9.913 1.391 -4.198 1.00 0.00 C ATOM 1738 CD1 ILE A 133 7.622 0.157 -2.189 1.00 0.00 C ATOM 0 H ILE A 133 8.112 4.202 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 133 8.951 1.949 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 133 8.570 2.925 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.719 1.855 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.374 0.718 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.486 1.028 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.692 2.122 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.343 0.555 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.684 -0.398 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.445 -0.527 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.780 0.628 -1.219 1.00 0.00 H new ATOM 1750 N LYS A 134 11.335 3.828 -2.078 1.00 0.00 N ATOM 1751 CA LYS A 134 12.789 3.957 -1.974 1.00 0.00 C ATOM 1752 C LYS A 134 13.209 4.246 -0.562 1.00 0.00 C ATOM 1753 O LYS A 134 13.991 3.525 0.038 1.00 0.00 O ATOM 1754 CB LYS A 134 13.341 5.094 -2.814 1.00 0.00 C ATOM 1755 CG LYS A 134 13.114 5.020 -4.286 1.00 0.00 C ATOM 1756 CD LYS A 134 13.869 6.145 -4.958 1.00 0.00 C ATOM 1757 CE LYS A 134 13.535 6.249 -6.414 1.00 0.00 C ATOM 1758 NZ LYS A 134 13.887 5.027 -7.176 1.00 0.00 N ATOM 0 H LYS A 134 10.835 4.682 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 134 13.180 3.003 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.907 6.025 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.415 5.154 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.451 4.058 -4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 134 12.049 5.096 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 134 13.633 7.087 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 134 14.941 5.983 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.468 6.445 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.061 7.102 -6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.729 5.193 -8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.888 4.794 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.292 4.236 -6.858 1.00 0.00 H new ATOM 1772 N THR A 135 12.660 5.294 -0.036 1.00 0.00 N ATOM 1773 CA THR A 135 13.137 5.847 1.188 1.00 0.00 C ATOM 1774 C THR A 135 12.277 5.437 2.365 1.00 0.00 C ATOM 1775 O THR A 135 12.763 5.241 3.468 1.00 0.00 O ATOM 1776 CB THR A 135 13.176 7.371 1.048 1.00 0.00 C ATOM 1777 OG1 THR A 135 11.856 7.844 0.731 1.00 0.00 O ATOM 1778 CG2 THR A 135 14.106 7.776 -0.093 1.00 0.00 C ATOM 0 H THR A 135 11.868 5.790 -0.444 1.00 0.00 H new ATOM 0 HA THR A 135 14.138 5.463 1.385 1.00 0.00 H new ATOM 0 HB THR A 135 13.533 7.800 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 135 11.807 8.810 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.123 8.862 -0.180 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.113 7.412 0.112 1.00 0.00 H new ATOM 0 HG23 THR A 135 13.747 7.343 -1.026 1.00 0.00 H new ATOM 1786 N GLY A 136 11.009 5.276 2.116 1.00 0.00 N ATOM 1787 CA GLY A 136 10.117 4.907 3.169 1.00 0.00 C ATOM 1788 C GLY A 136 9.617 6.093 3.888 1.00 0.00 C ATOM 1789 O GLY A 136 9.586 6.115 5.104 1.00 0.00 O ATOM 0 H GLY A 136 10.575 5.394 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.277 4.348 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.629 4.245 3.867 1.00 0.00 H new ATOM 1793 N GLU A 137 9.252 7.067 3.133 1.00 0.00 N ATOM 1794 CA GLU A 137 8.753 8.309 3.638 1.00 0.00 C ATOM 1795 C GLU A 137 7.316 8.416 3.275 1.00 0.00 C ATOM 1796 O GLU A 137 6.912 7.927 2.211 1.00 0.00 O ATOM 1797 CB GLU A 137 9.521 9.437 3.031 1.00 0.00 C ATOM 1798 CG GLU A 137 10.941 9.527 3.523 1.00 0.00 C ATOM 1799 CD GLU A 137 11.737 10.573 2.797 1.00 0.00 C ATOM 1800 OE1 GLU A 137 12.316 10.254 1.741 1.00 0.00 O ATOM 1801 OE2 GLU A 137 11.820 11.721 3.271 1.00 0.00 O ATOM 0 H GLU A 137 9.291 7.027 2.115 1.00 0.00 H new ATOM 0 HA GLU A 137 8.865 8.353 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.527 9.321 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.009 10.374 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 137 10.939 9.752 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.426 8.558 3.403 1.00 0.00 H new ATOM 1808 N TRP A 138 6.539 8.976 4.153 1.00 0.00 N ATOM 1809 CA TRP A 138 5.127 9.075 3.939 1.00 0.00 C ATOM 1810 C TRP A 138 4.715 10.472 3.550 1.00 0.00 C ATOM 1811 O TRP A 138 5.341 11.456 3.942 1.00 0.00 O ATOM 1812 CB TRP A 138 4.369 8.651 5.192 1.00 0.00 C ATOM 1813 CG TRP A 138 4.721 7.291 5.697 1.00 0.00 C ATOM 1814 CD1 TRP A 138 5.487 6.347 5.087 1.00 0.00 C ATOM 1815 CD2 TRP A 138 4.277 6.703 6.905 1.00 0.00 C ATOM 1816 NE1 TRP A 138 5.599 5.264 5.892 1.00 0.00 N ATOM 1817 CE2 TRP A 138 4.860 5.442 6.986 1.00 0.00 C ATOM 1818 CE3 TRP A 138 3.467 7.126 7.927 1.00 0.00 C ATOM 1819 CZ2 TRP A 138 4.661 4.598 8.036 1.00 0.00 C ATOM 1820 CZ3 TRP A 138 3.260 6.265 8.988 1.00 0.00 C ATOM 1821 CH2 TRP A 138 3.862 5.014 9.028 1.00 0.00 C ATOM 0 H TRP A 138 6.864 9.375 5.034 1.00 0.00 H new ATOM 0 HA TRP A 138 4.878 8.406 3.115 1.00 0.00 H new ATOM 0 HB2 TRP A 138 4.560 9.379 5.981 1.00 0.00 H new ATOM 0 HB3 TRP A 138 3.300 8.682 4.982 1.00 0.00 H new ATOM 0 HD1 TRP A 138 5.937 6.446 4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 138 6.163 4.438 5.691 1.00 0.00 H new ATOM 0 HE3 TRP A 138 3.005 8.102 7.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.131 3.626 8.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.618 6.571 9.801 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.683 4.366 9.873 1.00 0.00 H new ATOM 1832 N LYS A 139 3.636 10.532 2.840 1.00 0.00 N ATOM 1833 CA LYS A 139 3.014 11.744 2.389 1.00 0.00 C ATOM 1834 C LYS A 139 1.745 11.873 3.087 1.00 0.00 C ATOM 1835 O LYS A 139 1.172 10.895 3.500 1.00 0.00 O ATOM 1836 CB LYS A 139 2.777 11.713 0.886 1.00 0.00 C ATOM 1837 CG LYS A 139 4.035 11.929 0.121 1.00 0.00 C ATOM 1838 CD LYS A 139 3.847 11.823 -1.388 1.00 0.00 C ATOM 1839 CE LYS A 139 3.455 10.429 -1.824 1.00 0.00 C ATOM 1840 NZ LYS A 139 3.294 10.339 -3.293 1.00 0.00 N ATOM 0 H LYS A 139 3.135 9.695 2.541 1.00 0.00 H new ATOM 0 HA LYS A 139 3.665 12.593 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.343 10.753 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.052 12.481 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.435 12.914 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 139 4.777 11.197 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.080 12.529 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 139 4.772 12.110 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 139 4.214 9.719 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 139 2.522 10.145 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 3.159 9.345 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 2.465 10.894 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 4.145 10.714 -3.759 1.00 0.00 H new ATOM 1854 N LYS A 140 1.345 13.051 3.263 1.00 0.00 N ATOM 1855 CA LYS A 140 0.144 13.329 4.027 1.00 0.00 C ATOM 1856 C LYS A 140 -1.040 13.419 3.135 1.00 0.00 C ATOM 1857 O LYS A 140 -0.910 13.885 2.024 1.00 0.00 O ATOM 1858 CB LYS A 140 0.262 14.636 4.776 1.00 0.00 C ATOM 1859 CG LYS A 140 1.324 14.679 5.833 1.00 0.00 C ATOM 1860 CD LYS A 140 1.275 16.002 6.525 1.00 0.00 C ATOM 1861 CE LYS A 140 2.405 16.158 7.519 1.00 0.00 C ATOM 1862 NZ LYS A 140 2.388 17.486 8.167 1.00 0.00 N ATOM 0 H LYS A 140 1.816 13.878 2.896 1.00 0.00 H new ATOM 0 HA LYS A 140 0.022 12.508 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.457 15.431 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.699 14.856 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.172 13.874 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.306 14.525 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.328 16.801 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.320 16.108 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 140 2.329 15.381 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.358 16.014 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 3.177 17.554 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.486 18.227 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.489 17.614 8.673 1.00 0.00 H new ATOM 1876 N GLY A 141 -2.172 12.943 3.602 1.00 0.00 N ATOM 1877 CA GLY A 141 -3.393 13.129 2.889 1.00 0.00 C ATOM 1878 C GLY A 141 -4.339 11.960 2.968 1.00 0.00 C ATOM 1879 O GLY A 141 -4.140 11.018 3.731 1.00 0.00 O ATOM 0 H GLY A 141 -2.262 12.424 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.895 14.015 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -3.163 13.325 1.842 1.00 0.00 H new ATOM 1883 N ASN A 142 -5.345 12.039 2.152 1.00 0.00 N ATOM 1884 CA ASN A 142 -6.361 11.032 1.965 1.00 0.00 C ATOM 1885 C ASN A 142 -6.546 10.859 0.479 1.00 0.00 C ATOM 1886 O ASN A 142 -6.593 11.837 -0.244 1.00 0.00 O ATOM 1887 CB ASN A 142 -7.711 11.396 2.657 1.00 0.00 C ATOM 1888 CG ASN A 142 -8.258 12.828 2.435 1.00 0.00 C ATOM 1889 OD1 ASN A 142 -7.948 13.455 1.341 1.00 0.00 O flip ATOM 1890 ND2 ASN A 142 -8.963 13.355 3.281 1.00 0.00 N flip ATOM 0 H ASN A 142 -5.493 12.856 1.560 1.00 0.00 H new ATOM 0 HA ASN A 142 -6.038 10.103 2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.467 10.689 2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -7.593 11.242 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -9.198 12.850 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -9.317 14.300 3.133 1.00 0.00 H new ATOM 1897 N CYS A 143 -6.627 9.664 -0.007 1.00 0.00 N ATOM 1898 CA CYS A 143 -6.693 9.513 -1.432 1.00 0.00 C ATOM 1899 C CYS A 143 -8.060 9.608 -1.970 1.00 0.00 C ATOM 1900 O CYS A 143 -8.665 8.638 -2.364 1.00 0.00 O ATOM 1901 CB CYS A 143 -5.942 8.328 -1.966 1.00 0.00 C ATOM 1902 SG CYS A 143 -4.696 8.820 -3.201 1.00 0.00 S ATOM 0 H CYS A 143 -6.649 8.801 0.536 1.00 0.00 H new ATOM 0 HA CYS A 143 -6.157 10.382 -1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.453 7.806 -1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.643 7.626 -2.417 1.00 0.00 H new ATOM 1907 N GLU A 144 -8.537 10.800 -1.949 1.00 0.00 N ATOM 1908 CA GLU A 144 -9.828 11.154 -2.479 1.00 0.00 C ATOM 1909 C GLU A 144 -9.672 11.557 -3.953 1.00 0.00 C ATOM 1910 O GLU A 144 -10.448 12.351 -4.503 1.00 0.00 O ATOM 1911 CB GLU A 144 -10.416 12.292 -1.648 1.00 0.00 C ATOM 1912 CG GLU A 144 -10.542 12.005 -0.141 1.00 0.00 C ATOM 1913 CD GLU A 144 -11.529 10.941 0.208 1.00 0.00 C ATOM 1914 OE1 GLU A 144 -12.753 11.188 0.123 1.00 0.00 O ATOM 1915 OE2 GLU A 144 -11.103 9.845 0.626 1.00 0.00 O ATOM 0 H GLU A 144 -8.031 11.592 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 144 -10.511 10.306 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -9.795 13.177 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -11.404 12.534 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -9.564 11.715 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -10.825 12.926 0.369 1.00 0.00 H new ATOM 1922 N VAL A 145 -8.681 10.966 -4.573 1.00 0.00 N ATOM 1923 CA VAL A 145 -8.335 11.204 -5.952 1.00 0.00 C ATOM 1924 C VAL A 145 -8.316 9.886 -6.705 1.00 0.00 C ATOM 1925 O VAL A 145 -8.042 8.839 -6.126 1.00 0.00 O ATOM 1926 CB VAL A 145 -6.953 11.915 -6.104 1.00 0.00 C ATOM 1927 CG1 VAL A 145 -6.939 13.193 -5.318 1.00 0.00 C ATOM 1928 CG2 VAL A 145 -5.792 11.021 -5.688 1.00 0.00 C ATOM 0 H VAL A 145 -8.074 10.285 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.091 11.869 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 145 -6.819 12.140 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -5.970 13.680 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.723 13.855 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -7.114 12.974 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -4.854 11.562 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -5.910 10.734 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -5.780 10.126 -6.311 1.00 0.00 H new ATOM 1938 N SER A 146 -8.563 9.950 -7.977 1.00 0.00 N ATOM 1939 CA SER A 146 -8.658 8.776 -8.823 1.00 0.00 C ATOM 1940 C SER A 146 -7.312 8.232 -9.255 1.00 0.00 C ATOM 1941 O SER A 146 -7.234 7.177 -9.880 1.00 0.00 O ATOM 1942 CB SER A 146 -9.520 9.056 -10.008 1.00 0.00 C ATOM 1943 OG SER A 146 -10.798 9.499 -9.596 1.00 0.00 O ATOM 0 H SER A 146 -8.708 10.828 -8.475 1.00 0.00 H new ATOM 0 HA SER A 146 -9.118 7.996 -8.216 1.00 0.00 H new ATOM 0 HB2 SER A 146 -9.051 9.814 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 146 -9.619 8.156 -10.615 1.00 0.00 H new ATOM 0 HG SER A 146 -10.961 9.213 -8.673 1.00 0.00 H new ATOM 1949 N SER A 147 -6.268 8.918 -8.896 1.00 0.00 N ATOM 1950 CA SER A 147 -4.925 8.611 -9.334 1.00 0.00 C ATOM 1951 C SER A 147 -4.310 7.370 -8.632 1.00 0.00 C ATOM 1952 O SER A 147 -3.091 7.219 -8.591 1.00 0.00 O ATOM 1953 CB SER A 147 -4.065 9.835 -9.113 1.00 0.00 C ATOM 1954 OG SER A 147 -4.690 11.001 -9.655 1.00 0.00 O ATOM 0 H SER A 147 -6.320 9.727 -8.276 1.00 0.00 H new ATOM 0 HA SER A 147 -4.967 8.350 -10.391 1.00 0.00 H new ATOM 0 HB2 SER A 147 -3.890 9.974 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 147 -3.091 9.689 -9.580 1.00 0.00 H new ATOM 0 HG SER A 147 -4.118 11.781 -9.500 1.00 0.00 H new ATOM 1960 N VAL A 148 -5.139 6.487 -8.111 1.00 0.00 N ATOM 1961 CA VAL A 148 -4.627 5.292 -7.457 1.00 0.00 C ATOM 1962 C VAL A 148 -4.937 4.066 -8.278 1.00 0.00 C ATOM 1963 O VAL A 148 -6.092 3.816 -8.653 1.00 0.00 O ATOM 1964 CB VAL A 148 -5.152 5.062 -6.041 1.00 0.00 C ATOM 1965 CG1 VAL A 148 -4.258 4.057 -5.345 1.00 0.00 C ATOM 1966 CG2 VAL A 148 -5.248 6.359 -5.286 1.00 0.00 C ATOM 0 H VAL A 148 -6.156 6.569 -8.125 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.553 5.462 -7.377 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.163 4.656 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.623 3.885 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.266 3.118 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.240 4.444 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.624 6.168 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.261 6.817 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.928 7.033 -5.806 1.00 0.00 H new ATOM 1976 N GLU A 149 -3.910 3.339 -8.578 1.00 0.00 N ATOM 1977 CA GLU A 149 -4.006 2.142 -9.391 1.00 0.00 C ATOM 1978 C GLU A 149 -3.491 0.932 -8.681 1.00 0.00 C ATOM 1979 O GLU A 149 -3.314 -0.109 -9.293 1.00 0.00 O ATOM 1980 CB GLU A 149 -3.344 2.313 -10.737 1.00 0.00 C ATOM 1981 CG GLU A 149 -4.040 3.337 -11.604 1.00 0.00 C ATOM 1982 CD GLU A 149 -3.293 3.694 -12.855 1.00 0.00 C ATOM 1983 OE1 GLU A 149 -2.173 4.262 -12.761 1.00 0.00 O ATOM 1984 OE2 GLU A 149 -3.813 3.440 -13.955 1.00 0.00 O ATOM 0 H GLU A 149 -2.962 3.552 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.069 1.981 -9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -2.306 2.612 -10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -3.330 1.354 -11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -5.024 2.956 -11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.201 4.243 -11.019 1.00 0.00 H new ATOM 1991 N GLY A 150 -3.218 1.067 -7.420 1.00 0.00 N ATOM 1992 CA GLY A 150 -2.748 -0.039 -6.668 1.00 0.00 C ATOM 1993 C GLY A 150 -2.600 0.296 -5.230 1.00 0.00 C ATOM 1994 O GLY A 150 -2.091 1.363 -4.884 1.00 0.00 O ATOM 0 H GLY A 150 -3.315 1.936 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -3.440 -0.874 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.788 -0.367 -7.066 1.00 0.00 H new ATOM 1998 N THR A 151 -3.040 -0.578 -4.401 1.00 0.00 N ATOM 1999 CA THR A 151 -2.943 -0.392 -2.996 1.00 0.00 C ATOM 2000 C THR A 151 -2.425 -1.647 -2.361 1.00 0.00 C ATOM 2001 O THR A 151 -2.575 -2.754 -2.923 1.00 0.00 O ATOM 2002 CB THR A 151 -4.302 0.008 -2.361 1.00 0.00 C ATOM 2003 OG1 THR A 151 -4.186 0.056 -0.941 1.00 0.00 O ATOM 2004 CG2 THR A 151 -5.411 -0.953 -2.748 1.00 0.00 C ATOM 0 H THR A 151 -3.483 -1.453 -4.680 1.00 0.00 H new ATOM 0 HA THR A 151 -2.251 0.430 -2.815 1.00 0.00 H new ATOM 0 HB THR A 151 -4.562 0.995 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.242 -0.852 -0.577 1.00 0.00 H new ATOM 0 HG21 THR A 151 -6.345 -0.637 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 151 -5.528 -0.956 -3.832 1.00 0.00 H new ATOM 0 HG23 THR A 151 -5.158 -1.957 -2.408 1.00 0.00 H new ATOM 2012 N LEU A 152 -1.754 -1.489 -1.250 1.00 0.00 N ATOM 2013 CA LEU A 152 -1.309 -2.604 -0.521 1.00 0.00 C ATOM 2014 C LEU A 152 -2.332 -2.894 0.513 1.00 0.00 C ATOM 2015 O LEU A 152 -2.897 -1.981 1.126 1.00 0.00 O ATOM 2016 CB LEU A 152 0.028 -2.396 0.153 1.00 0.00 C ATOM 2017 CG LEU A 152 0.534 -3.677 0.810 1.00 0.00 C ATOM 2018 CD1 LEU A 152 1.115 -4.649 -0.139 1.00 0.00 C ATOM 2019 CD2 LEU A 152 1.447 -3.434 1.883 1.00 0.00 C ATOM 0 H LEU A 152 -1.512 -0.585 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.172 -3.429 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 152 0.756 -2.052 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.062 -1.612 0.905 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.367 -4.129 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.451 -5.532 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.361 -4.939 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.962 -4.194 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.770 -4.384 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.314 -2.891 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.954 -2.841 2.653 1.00 0.00 H new ATOM 2031 N CYS A 153 -2.594 -4.107 0.696 1.00 0.00 N ATOM 2032 CA CYS A 153 -3.571 -4.506 1.616 1.00 0.00 C ATOM 2033 C CYS A 153 -2.942 -5.214 2.753 1.00 0.00 C ATOM 2034 O CYS A 153 -1.961 -5.942 2.580 1.00 0.00 O ATOM 2035 CB CYS A 153 -4.519 -5.416 0.928 1.00 0.00 C ATOM 2036 SG CYS A 153 -5.106 -4.737 -0.639 1.00 0.00 S ATOM 0 H CYS A 153 -2.132 -4.874 0.206 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.096 -3.631 1.998 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -4.032 -6.374 0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -5.371 -5.609 1.580 1.00 0.00 H new ATOM 2041 N LYS A 154 -3.489 -4.994 3.886 1.00 0.00 N ATOM 2042 CA LYS A 154 -3.094 -5.621 5.084 1.00 0.00 C ATOM 2043 C LYS A 154 -4.322 -6.235 5.699 1.00 0.00 C ATOM 2044 O LYS A 154 -5.413 -5.690 5.602 1.00 0.00 O ATOM 2045 CB LYS A 154 -2.494 -4.608 6.058 1.00 0.00 C ATOM 2046 CG LYS A 154 -2.201 -5.164 7.444 1.00 0.00 C ATOM 2047 CD LYS A 154 -1.812 -4.064 8.411 1.00 0.00 C ATOM 2048 CE LYS A 154 -1.418 -4.626 9.765 1.00 0.00 C ATOM 2049 NZ LYS A 154 -2.537 -5.300 10.472 1.00 0.00 N ATOM 0 H LYS A 154 -4.262 -4.340 4.008 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.336 -6.375 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.569 -4.218 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -3.179 -3.766 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -3.080 -5.688 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.396 -5.896 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -0.981 -3.492 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -2.646 -3.373 8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.602 -5.336 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -1.038 -3.817 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -2.160 -6.058 11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -3.043 -4.608 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -3.193 -5.707 9.775 1.00 0.00 H new ATOM 2063 N THR A 155 -4.168 -7.352 6.254 1.00 0.00 N ATOM 2064 CA THR A 155 -5.222 -7.970 6.960 1.00 0.00 C ATOM 2065 C THR A 155 -4.597 -8.590 8.181 1.00 0.00 C ATOM 2066 O THR A 155 -3.467 -9.060 8.109 1.00 0.00 O ATOM 2067 CB THR A 155 -5.937 -9.049 6.074 1.00 0.00 C ATOM 2068 OG1 THR A 155 -7.151 -9.513 6.701 1.00 0.00 O ATOM 2069 CG2 THR A 155 -5.017 -10.237 5.796 1.00 0.00 C ATOM 0 H THR A 155 -3.298 -7.884 6.239 1.00 0.00 H new ATOM 0 HA THR A 155 -5.991 -7.249 7.237 1.00 0.00 H new ATOM 0 HB THR A 155 -6.188 -8.572 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 155 -7.893 -9.448 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 155 -5.542 -10.967 5.180 1.00 0.00 H new ATOM 0 HG22 THR A 155 -4.126 -9.892 5.271 1.00 0.00 H new ATOM 0 HG23 THR A 155 -4.726 -10.700 6.739 1.00 0.00 H new ATOM 2077 N ALA A 156 -5.241 -8.509 9.292 1.00 0.00 N ATOM 2078 CA ALA A 156 -4.741 -9.153 10.463 1.00 0.00 C ATOM 2079 C ALA A 156 -5.163 -10.574 10.401 1.00 0.00 C ATOM 2080 O ALA A 156 -6.303 -10.870 9.995 1.00 0.00 O ATOM 2081 CB ALA A 156 -5.304 -8.533 11.711 1.00 0.00 C ATOM 0 H ALA A 156 -6.117 -8.003 9.418 1.00 0.00 H new ATOM 0 HA ALA A 156 -3.656 -9.052 10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -4.903 -9.046 12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -5.027 -7.479 11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.390 -8.623 11.704 1.00 0.00 H new ATOM 2087 N ILE A 157 -4.287 -11.470 10.714 1.00 0.00 N ATOM 2088 CA ILE A 157 -4.675 -12.790 10.758 1.00 0.00 C ATOM 2089 C ILE A 157 -4.877 -13.254 12.203 1.00 0.00 C ATOM 2090 O ILE A 157 -3.949 -13.286 13.024 1.00 0.00 O ATOM 2091 CB ILE A 157 -3.749 -13.713 10.020 1.00 0.00 C ATOM 2092 CG1 ILE A 157 -2.371 -13.542 10.502 1.00 0.00 C ATOM 2093 CG2 ILE A 157 -3.826 -13.471 8.512 1.00 0.00 C ATOM 2094 CD1 ILE A 157 -1.545 -14.641 10.109 1.00 0.00 C ATOM 0 H ILE A 157 -3.309 -11.288 10.938 1.00 0.00 H new ATOM 0 HA ILE A 157 -5.630 -12.841 10.235 1.00 0.00 H new ATOM 0 HB ILE A 157 -4.061 -14.740 10.212 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -1.958 -12.614 10.107 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -2.371 -13.454 11.588 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -3.146 -14.151 7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -4.845 -13.647 8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -3.542 -12.442 8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -0.532 -14.486 10.480 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -1.946 -15.565 10.525 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -1.526 -14.711 9.021 1.00 0.00 H new ATOM 2106 N PRO A 158 -6.104 -13.621 12.518 1.00 0.00 N ATOM 2107 CA PRO A 158 -6.498 -14.130 13.835 1.00 0.00 C ATOM 2108 C PRO A 158 -5.963 -15.522 14.072 1.00 0.00 C ATOM 2109 O PRO A 158 -6.085 -16.091 15.138 1.00 0.00 O ATOM 2110 CB PRO A 158 -8.016 -14.139 13.816 1.00 0.00 C ATOM 2111 CG PRO A 158 -8.435 -13.663 12.462 1.00 0.00 C ATOM 2112 CD PRO A 158 -7.211 -13.512 11.610 1.00 0.00 C ATOM 0 HA PRO A 158 -6.097 -13.512 14.638 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -8.399 -15.141 14.009 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -8.416 -13.490 14.595 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -9.127 -14.373 12.008 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -8.961 -12.712 12.541 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -7.168 -14.285 10.842 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -7.205 -12.551 11.096 1.00 0.00 H new ATOM 2120 N TYR A 159 -5.326 -16.008 13.071 1.00 0.00 N ATOM 2121 CA TYR A 159 -4.698 -17.307 13.057 1.00 0.00 C ATOM 2122 C TYR A 159 -3.504 -17.293 13.994 1.00 0.00 C ATOM 2123 O TYR A 159 -3.138 -18.303 14.590 1.00 0.00 O ATOM 2124 CB TYR A 159 -4.239 -17.659 11.637 1.00 0.00 C ATOM 2125 CG TYR A 159 -5.332 -17.821 10.636 1.00 0.00 C ATOM 2126 CD1 TYR A 159 -5.957 -16.726 10.141 1.00 0.00 C ATOM 2127 CD2 TYR A 159 -5.704 -19.061 10.157 1.00 0.00 C ATOM 2128 CE1 TYR A 159 -6.925 -16.821 9.206 1.00 0.00 C ATOM 2129 CE2 TYR A 159 -6.690 -19.182 9.213 1.00 0.00 C ATOM 2130 CZ TYR A 159 -7.298 -18.054 8.737 1.00 0.00 C ATOM 2131 OH TYR A 159 -8.277 -18.158 7.788 1.00 0.00 O ATOM 0 H TYR A 159 -5.215 -15.501 12.193 1.00 0.00 H new ATOM 0 HA TYR A 159 -5.416 -18.057 13.387 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -3.562 -16.879 11.288 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -3.665 -18.585 11.677 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -5.673 -15.750 10.505 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -5.212 -19.947 10.531 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -7.404 -15.930 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -6.983 -20.156 8.850 1.00 0.00 H new ATOM 0 HH TYR A 159 -8.418 -19.102 7.566 1.00 0.00 H new ATOM 2141 N LYS A 160 -2.927 -16.121 14.152 1.00 0.00 N ATOM 2142 CA LYS A 160 -1.765 -15.941 14.993 1.00 0.00 C ATOM 2143 C LYS A 160 -2.049 -14.906 16.065 1.00 0.00 C ATOM 2144 O LYS A 160 -1.134 -14.369 16.675 1.00 0.00 O ATOM 2145 CB LYS A 160 -0.564 -15.503 14.151 1.00 0.00 C ATOM 2146 CG LYS A 160 -0.132 -16.512 13.113 1.00 0.00 C ATOM 2147 CD LYS A 160 1.143 -16.086 12.394 1.00 0.00 C ATOM 2148 CE LYS A 160 2.356 -16.076 13.325 1.00 0.00 C ATOM 2149 NZ LYS A 160 2.643 -17.419 13.886 1.00 0.00 N ATOM 0 H LYS A 160 -3.251 -15.266 13.700 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.532 -16.892 15.472 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.808 -14.566 13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.276 -15.300 14.815 1.00 0.00 H new ATOM 0 HG2 LYS A 160 0.028 -17.478 13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -0.931 -16.646 12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 160 1.332 -16.763 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 160 1.004 -15.091 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 160 3.229 -15.719 12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 160 2.181 -15.374 14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 3.592 -17.422 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 1.936 -17.650 14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 2.602 -18.128 13.127 1.00 0.00 H new ATOM 2163 N ARG A 161 -3.312 -14.655 16.309 1.00 0.00 N ATOM 2164 CA ARG A 161 -3.707 -13.670 17.286 1.00 0.00 C ATOM 2165 C ARG A 161 -3.959 -14.372 18.599 1.00 0.00 C ATOM 2166 O ARG A 161 -5.037 -14.941 18.774 1.00 0.00 O ATOM 2167 CB ARG A 161 -4.961 -12.930 16.821 1.00 0.00 C ATOM 2168 CG ARG A 161 -5.409 -11.805 17.737 1.00 0.00 C ATOM 2169 CD ARG A 161 -6.680 -11.170 17.219 1.00 0.00 C ATOM 2170 NE ARG A 161 -7.102 -10.009 18.019 1.00 0.00 N ATOM 2171 CZ ARG A 161 -8.186 -9.255 17.760 1.00 0.00 C ATOM 2172 NH1 ARG A 161 -9.021 -9.587 16.779 1.00 0.00 N ATOM 2173 NH2 ARG A 161 -8.440 -8.177 18.488 1.00 0.00 N ATOM 2174 OXT ARG A 161 -3.056 -14.409 19.448 1.00 0.00 O ATOM 0 H ARG A 161 -4.088 -15.123 15.841 1.00 0.00 H new ATOM 0 HA ARG A 161 -2.914 -12.933 17.410 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -4.778 -12.520 15.828 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -5.775 -13.648 16.724 1.00 0.00 H new ATOM 0 HG2 ARG A 161 -5.573 -12.191 18.743 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -4.623 -11.053 17.809 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -6.530 -10.859 16.185 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -7.477 -11.913 17.216 1.00 0.00 H new ATOM 0 HE ARG A 161 -6.532 -9.758 18.827 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -8.842 -10.419 16.216 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -9.840 -9.010 16.589 1.00 0.00 H new ATOM 0 HH21 ARG A 161 -7.812 -7.916 19.248 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -9.263 -7.609 18.288 1.00 0.00 H new TER 2188 ARG A 161