USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 583 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 35 SER OG : rot -24:sc= 0.484! USER MOD Set 1.2: A 36 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 2 SER OG : rot 44:sc= 0.917 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.17) USER MOD Single : A 8 TYR OH : rot 30:sc= -0.385 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ -113:sc= -0.178 (180deg=-0.813) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= -12! (180deg=-12.2!) USER MOD Single : A 21 ASN : amide:sc= -2.88! K(o=-2.9!,f=-1.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0731 USER MOD Single : A 33 ASN : amide:sc= -2.4! C(o=-2.4!,f=-9.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0651 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 46 ASN : amide:sc= -2.93! C(o=-2.9!,f=-2.9!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.339 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.685 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.111 (180deg=-0.658) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 69 SER OG : rot -52:sc= 0.272 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -13.448 -18.018 -17.119 1.00 0.00 N ATOM 2 CA ILE A -2 -14.351 -19.151 -16.768 1.00 0.00 C ATOM 3 C ILE A -2 -15.196 -18.830 -15.540 1.00 0.00 C ATOM 4 O ILE A -2 -15.067 -17.760 -14.946 1.00 0.00 O ATOM 5 CB ILE A -2 -13.560 -20.448 -16.500 1.00 0.00 C ATOM 6 CG1 ILE A -2 -12.477 -20.211 -15.442 1.00 0.00 C ATOM 7 CG2 ILE A -2 -12.946 -20.968 -17.791 1.00 0.00 C ATOM 8 CD1 ILE A -2 -12.590 -21.131 -14.245 1.00 0.00 C ATOM 0 H1 ILE A -2 -13.742 -17.609 -18.029 1.00 0.00 H new ATOM 0 H2 ILE A -2 -13.501 -17.290 -16.378 1.00 0.00 H new ATOM 0 H3 ILE A -2 -12.470 -18.364 -17.195 1.00 0.00 H new ATOM 0 HA ILE A -2 -15.004 -19.301 -17.628 1.00 0.00 H new ATOM 0 HB ILE A -2 -14.249 -21.201 -16.117 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -11.497 -20.343 -15.901 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -12.533 -19.177 -15.102 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -12.391 -21.884 -17.587 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -13.737 -21.176 -18.512 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -12.270 -20.217 -18.201 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -11.792 -20.907 -13.537 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -13.556 -20.982 -13.762 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -12.504 -22.167 -14.573 1.00 0.00 H new ATOM 22 N SER A -1 -16.062 -19.767 -15.166 1.00 0.00 N ATOM 23 CA SER A -1 -16.930 -19.587 -14.008 1.00 0.00 C ATOM 24 C SER A -1 -16.132 -19.642 -12.710 1.00 0.00 C ATOM 25 O SER A -1 -15.321 -20.545 -12.504 1.00 0.00 O ATOM 26 CB SER A -1 -18.025 -20.656 -13.991 1.00 0.00 C ATOM 27 OG SER A -1 -19.138 -20.259 -14.771 1.00 0.00 O ATOM 0 H SER A -1 -16.181 -20.658 -15.648 1.00 0.00 H new ATOM 0 HA SER A -1 -17.392 -18.603 -14.086 1.00 0.00 H new ATOM 0 HB2 SER A -1 -17.626 -21.596 -14.373 1.00 0.00 H new ATOM 0 HB3 SER A -1 -18.343 -20.839 -12.965 1.00 0.00 H new ATOM 0 HG SER A -1 -19.822 -20.960 -14.745 1.00 0.00 H new ATOM 33 N SER A 2 -16.373 -18.670 -11.838 1.00 0.00 N ATOM 34 CA SER A 2 -15.683 -18.601 -10.557 1.00 0.00 C ATOM 35 C SER A 2 -16.331 -17.555 -9.654 1.00 0.00 C ATOM 36 O SER A 2 -16.567 -16.422 -10.079 1.00 0.00 O ATOM 37 CB SER A 2 -14.204 -18.264 -10.764 1.00 0.00 C ATOM 38 OG SER A 2 -13.418 -19.441 -10.842 1.00 0.00 O ATOM 0 H SER A 2 -17.043 -17.917 -11.996 1.00 0.00 H new ATOM 0 HA SER A 2 -15.760 -19.576 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.085 -17.682 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.851 -17.641 -9.942 1.00 0.00 H new ATOM 0 HG SER A 2 -13.866 -20.096 -11.416 1.00 0.00 H new ATOM 44 N PRO A 3 -16.627 -17.910 -8.390 1.00 0.00 N ATOM 45 CA PRO A 3 -17.245 -16.987 -7.439 1.00 0.00 C ATOM 46 C PRO A 3 -16.550 -15.631 -7.420 1.00 0.00 C ATOM 47 O PRO A 3 -15.375 -15.523 -7.767 1.00 0.00 O ATOM 48 CB PRO A 3 -17.087 -17.681 -6.076 1.00 0.00 C ATOM 49 CG PRO A 3 -16.263 -18.905 -6.322 1.00 0.00 C ATOM 50 CD PRO A 3 -16.379 -19.225 -7.784 1.00 0.00 C ATOM 0 HA PRO A 3 -18.283 -16.783 -7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.599 -17.022 -5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -18.059 -17.944 -5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.223 -18.731 -6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.619 -19.738 -5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.468 -19.683 -8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.194 -19.921 -7.982 1.00 0.00 H new ATOM 58 N LYS A 4 -17.278 -14.601 -7.002 1.00 0.00 N ATOM 59 CA LYS A 4 -16.719 -13.257 -6.931 1.00 0.00 C ATOM 60 C LYS A 4 -15.565 -13.223 -5.936 1.00 0.00 C ATOM 61 O LYS A 4 -15.756 -13.459 -4.743 1.00 0.00 O ATOM 62 CB LYS A 4 -17.797 -12.248 -6.526 1.00 0.00 C ATOM 63 CG LYS A 4 -17.458 -10.813 -6.897 1.00 0.00 C ATOM 64 CD LYS A 4 -18.305 -9.819 -6.118 1.00 0.00 C ATOM 65 CE LYS A 4 -17.457 -8.968 -5.187 1.00 0.00 C ATOM 66 NZ LYS A 4 -16.961 -9.745 -4.017 1.00 0.00 N ATOM 0 H LYS A 4 -18.252 -14.671 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.344 -12.984 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.738 -12.524 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.953 -12.309 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.402 -10.625 -6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.614 -10.666 -7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.841 -9.174 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.056 -10.356 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.609 -8.562 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.044 -8.119 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.387 -9.127 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.770 -10.111 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.379 -10.540 -4.350 1.00 0.00 H new ATOM 80 N GLN A 5 -14.365 -12.941 -6.432 1.00 0.00 N ATOM 81 CA GLN A 5 -13.190 -12.892 -5.573 1.00 0.00 C ATOM 82 C GLN A 5 -13.237 -11.657 -4.663 1.00 0.00 C ATOM 83 O GLN A 5 -14.033 -11.619 -3.726 1.00 0.00 O ATOM 84 CB GLN A 5 -11.872 -12.963 -6.386 1.00 0.00 C ATOM 85 CG GLN A 5 -11.991 -12.649 -7.878 1.00 0.00 C ATOM 86 CD GLN A 5 -11.573 -11.229 -8.220 1.00 0.00 C ATOM 87 OE1 GLN A 5 -12.324 -10.483 -8.849 1.00 0.00 O ATOM 88 NE2 GLN A 5 -10.366 -10.853 -7.813 1.00 0.00 N ATOM 0 H GLN A 5 -14.182 -12.745 -7.416 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.206 -13.777 -4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.157 -12.269 -5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.454 -13.964 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.374 -13.349 -8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.022 -12.805 -8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.777 -11.504 -7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.028 -9.913 -8.019 1.00 0.00 H new ATOM 97 N GLU A 6 -12.398 -10.656 -4.933 1.00 0.00 N ATOM 98 CA GLU A 6 -12.361 -9.435 -4.130 1.00 0.00 C ATOM 99 C GLU A 6 -11.116 -8.626 -4.462 1.00 0.00 C ATOM 100 O GLU A 6 -10.000 -9.005 -4.106 1.00 0.00 O ATOM 101 CB GLU A 6 -12.401 -9.743 -2.625 1.00 0.00 C ATOM 102 CG GLU A 6 -11.359 -10.750 -2.163 1.00 0.00 C ATOM 103 CD GLU A 6 -11.015 -10.592 -0.694 1.00 0.00 C ATOM 104 OE1 GLU A 6 -10.671 -9.464 -0.283 1.00 0.00 O ATOM 105 OE2 GLU A 6 -11.092 -11.595 0.046 1.00 0.00 O ATOM 0 H GLU A 6 -11.732 -10.668 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.249 -8.852 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.261 -8.814 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.391 -10.120 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.730 -11.760 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.455 -10.633 -2.760 1.00 0.00 H new ATOM 112 N GLU A 7 -11.311 -7.515 -5.163 1.00 0.00 N ATOM 113 CA GLU A 7 -10.208 -6.657 -5.559 1.00 0.00 C ATOM 114 C GLU A 7 -9.329 -6.308 -4.362 1.00 0.00 C ATOM 115 O GLU A 7 -9.663 -6.621 -3.220 1.00 0.00 O ATOM 116 CB GLU A 7 -10.708 -5.367 -6.230 1.00 0.00 C ATOM 117 CG GLU A 7 -12.184 -5.361 -6.607 1.00 0.00 C ATOM 118 CD GLU A 7 -13.082 -5.004 -5.436 1.00 0.00 C ATOM 119 OE1 GLU A 7 -12.874 -3.928 -4.837 1.00 0.00 O ATOM 120 OE2 GLU A 7 -13.991 -5.801 -5.120 1.00 0.00 O ATOM 0 H GLU A 7 -12.228 -7.189 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.614 -7.214 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.518 -4.530 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.119 -5.193 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.346 -4.648 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.462 -6.344 -6.988 1.00 0.00 H new ATOM 127 N TYR A 8 -8.207 -5.659 -4.640 1.00 0.00 N ATOM 128 CA TYR A 8 -7.265 -5.267 -3.600 1.00 0.00 C ATOM 129 C TYR A 8 -7.859 -4.214 -2.667 1.00 0.00 C ATOM 130 O TYR A 8 -7.438 -3.057 -2.677 1.00 0.00 O ATOM 131 CB TYR A 8 -5.981 -4.735 -4.240 1.00 0.00 C ATOM 132 CG TYR A 8 -4.991 -5.823 -4.583 1.00 0.00 C ATOM 133 CD1 TYR A 8 -5.421 -7.075 -5.009 1.00 0.00 C ATOM 134 CD2 TYR A 8 -3.627 -5.605 -4.468 1.00 0.00 C ATOM 135 CE1 TYR A 8 -4.518 -8.076 -5.310 1.00 0.00 C ATOM 136 CE2 TYR A 8 -2.719 -6.601 -4.771 1.00 0.00 C ATOM 137 CZ TYR A 8 -3.169 -7.833 -5.188 1.00 0.00 C ATOM 138 OH TYR A 8 -2.265 -8.826 -5.486 1.00 0.00 O ATOM 0 H TYR A 8 -7.925 -5.391 -5.583 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.039 -6.149 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.235 -4.186 -5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.510 -4.026 -3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.479 -7.268 -5.106 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.269 -4.642 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.868 -9.043 -5.639 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.659 -6.413 -4.681 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.639 -9.413 -6.176 1.00 0.00 H new ATOM 148 N GLU A 9 -8.826 -4.620 -1.845 1.00 0.00 N ATOM 149 CA GLU A 9 -9.449 -3.697 -0.894 1.00 0.00 C ATOM 150 C GLU A 9 -8.365 -3.002 -0.075 1.00 0.00 C ATOM 151 O GLU A 9 -8.459 -1.814 0.229 1.00 0.00 O ATOM 152 CB GLU A 9 -10.432 -4.425 0.035 1.00 0.00 C ATOM 153 CG GLU A 9 -10.176 -5.918 0.175 1.00 0.00 C ATOM 154 CD GLU A 9 -10.632 -6.466 1.512 1.00 0.00 C ATOM 155 OE1 GLU A 9 -11.380 -5.759 2.221 1.00 0.00 O ATOM 156 OE2 GLU A 9 -10.240 -7.603 1.853 1.00 0.00 O ATOM 0 H GLU A 9 -9.193 -5.571 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.016 -2.955 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.386 -3.967 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.445 -4.276 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.692 -6.448 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.111 -6.113 0.051 1.00 0.00 H new ATOM 163 N VAL A 10 -7.315 -3.755 0.235 1.00 0.00 N ATOM 164 CA VAL A 10 -6.181 -3.237 0.987 1.00 0.00 C ATOM 165 C VAL A 10 -5.362 -2.292 0.095 1.00 0.00 C ATOM 166 O VAL A 10 -5.830 -1.198 -0.221 1.00 0.00 O ATOM 167 CB VAL A 10 -5.317 -4.404 1.509 1.00 0.00 C ATOM 168 CG1 VAL A 10 -6.078 -5.164 2.584 1.00 0.00 C ATOM 169 CG2 VAL A 10 -4.930 -5.343 0.373 1.00 0.00 C ATOM 0 H VAL A 10 -7.227 -4.737 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.538 -2.673 1.849 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.401 -3.996 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.465 -5.987 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.312 -4.491 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.003 -5.559 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.321 -6.158 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.831 -5.751 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.360 -4.793 -0.376 1.00 0.00 H new ATOM 179 N GLU A 11 -4.162 -2.707 -0.337 1.00 0.00 N ATOM 180 CA GLU A 11 -3.344 -1.874 -1.214 1.00 0.00 C ATOM 181 C GLU A 11 -1.939 -2.440 -1.404 1.00 0.00 C ATOM 182 O GLU A 11 -1.601 -3.514 -0.908 1.00 0.00 O ATOM 183 CB GLU A 11 -3.247 -0.448 -0.681 1.00 0.00 C ATOM 184 CG GLU A 11 -2.940 -0.379 0.797 1.00 0.00 C ATOM 185 CD GLU A 11 -3.077 1.021 1.337 1.00 0.00 C ATOM 186 OE1 GLU A 11 -4.163 1.617 1.174 1.00 0.00 O ATOM 187 OE2 GLU A 11 -2.100 1.524 1.920 1.00 0.00 O ATOM 0 H GLU A 11 -3.745 -3.605 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.842 -1.866 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.472 0.085 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.187 0.069 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.613 -1.044 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.926 -0.738 0.974 1.00 0.00 H new ATOM 194 N ARG A 12 -1.147 -1.692 -2.160 1.00 0.00 N ATOM 195 CA ARG A 12 0.232 -2.059 -2.498 1.00 0.00 C ATOM 196 C ARG A 12 1.274 -1.206 -1.800 1.00 0.00 C ATOM 197 O ARG A 12 2.411 -1.142 -2.252 1.00 0.00 O ATOM 198 CB ARG A 12 0.450 -1.884 -3.998 1.00 0.00 C ATOM 199 CG ARG A 12 0.292 -0.430 -4.513 1.00 0.00 C ATOM 200 CD ARG A 12 -0.369 0.552 -3.546 1.00 0.00 C ATOM 201 NE ARG A 12 -1.698 0.945 -4.000 1.00 0.00 N ATOM 202 CZ ARG A 12 -2.345 2.013 -3.549 1.00 0.00 C ATOM 203 NH1 ARG A 12 -1.815 2.761 -2.589 1.00 0.00 N ATOM 204 NH2 ARG A 12 -3.529 2.333 -4.054 1.00 0.00 N ATOM 0 H ARG A 12 -1.442 -0.803 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 12 0.355 -3.092 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.450 -2.237 -4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.256 -2.522 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.279 -0.047 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.292 -0.452 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.442 0.097 -2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.257 1.438 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.156 0.367 -4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.907 2.516 -2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.316 3.581 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.942 1.759 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.026 3.153 -3.708 1.00 0.00 H new ATOM 218 N ILE A 13 0.888 -0.543 -0.735 1.00 0.00 N ATOM 219 CA ILE A 13 1.787 0.348 -0.003 1.00 0.00 C ATOM 220 C ILE A 13 1.196 1.747 -0.074 1.00 0.00 C ATOM 221 O ILE A 13 0.936 2.262 -1.162 1.00 0.00 O ATOM 222 CB ILE A 13 3.231 0.419 -0.599 1.00 0.00 C ATOM 223 CG1 ILE A 13 4.151 -0.730 -0.169 1.00 0.00 C ATOM 224 CG2 ILE A 13 3.898 1.735 -0.213 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.460 -1.967 0.312 1.00 0.00 C ATOM 0 H ILE A 13 -0.053 -0.599 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 13 1.875 -0.041 1.011 1.00 0.00 H new ATOM 0 HB ILE A 13 3.097 0.339 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.788 -0.996 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.806 -0.370 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.903 1.771 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.312 2.568 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.957 1.808 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.203 -2.714 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.845 -1.726 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.827 -2.363 -0.483 1.00 0.00 H new ATOM 237 N VAL A 14 0.999 2.366 1.066 1.00 0.00 N ATOM 238 CA VAL A 14 0.459 3.713 1.099 1.00 0.00 C ATOM 239 C VAL A 14 1.601 4.718 1.251 1.00 0.00 C ATOM 240 O VAL A 14 1.433 5.912 1.003 1.00 0.00 O ATOM 241 CB VAL A 14 -0.592 3.872 2.224 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.298 2.911 3.355 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.666 5.296 2.748 1.00 0.00 C ATOM 0 H VAL A 14 1.202 1.964 1.981 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.056 3.909 0.159 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.565 3.637 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.045 3.033 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.329 1.888 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.692 3.119 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.418 5.355 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.305 5.587 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.938 5.969 1.935 1.00 0.00 H new ATOM 253 N ASP A 15 2.767 4.216 1.659 1.00 0.00 N ATOM 254 CA ASP A 15 3.943 5.057 1.842 1.00 0.00 C ATOM 255 C ASP A 15 5.171 4.171 1.993 1.00 0.00 C ATOM 256 O ASP A 15 5.041 2.958 2.059 1.00 0.00 O ATOM 257 CB ASP A 15 3.780 5.973 3.055 1.00 0.00 C ATOM 258 CG ASP A 15 4.646 7.215 2.967 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.344 8.093 2.132 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.625 7.311 3.736 1.00 0.00 O ATOM 0 H ASP A 15 2.919 3.229 1.868 1.00 0.00 H new ATOM 0 HA ASP A 15 4.065 5.696 0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.735 6.269 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.034 5.421 3.960 1.00 0.00 H new ATOM 265 N GLU A 16 6.363 4.749 1.990 1.00 0.00 N ATOM 266 CA GLU A 16 7.568 3.933 2.092 1.00 0.00 C ATOM 267 C GLU A 16 8.738 4.703 2.713 1.00 0.00 C ATOM 268 O GLU A 16 8.865 5.916 2.538 1.00 0.00 O ATOM 269 CB GLU A 16 7.925 3.372 0.703 1.00 0.00 C ATOM 270 CG GLU A 16 7.266 4.124 -0.441 1.00 0.00 C ATOM 271 CD GLU A 16 7.558 5.613 -0.415 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.746 5.987 -0.499 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.596 6.403 -0.313 1.00 0.00 O ATOM 0 H GLU A 16 6.523 5.754 1.920 1.00 0.00 H new ATOM 0 HA GLU A 16 7.366 3.102 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.007 3.405 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.630 2.324 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.610 3.708 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.188 3.970 -0.397 1.00 0.00 H new ATOM 280 N LYS A 17 9.605 3.970 3.415 1.00 0.00 N ATOM 281 CA LYS A 17 10.790 4.543 4.053 1.00 0.00 C ATOM 282 C LYS A 17 12.072 3.891 3.540 1.00 0.00 C ATOM 283 O LYS A 17 12.263 2.669 3.683 1.00 0.00 O ATOM 284 CB LYS A 17 10.763 4.338 5.562 1.00 0.00 C ATOM 285 CG LYS A 17 10.231 5.523 6.353 1.00 0.00 C ATOM 286 CD LYS A 17 8.933 5.202 7.088 1.00 0.00 C ATOM 287 CE LYS A 17 8.832 3.741 7.509 1.00 0.00 C ATOM 288 NZ LYS A 17 8.350 2.871 6.398 1.00 0.00 N ATOM 0 H LYS A 17 9.505 2.965 3.556 1.00 0.00 H new ATOM 0 HA LYS A 17 10.777 5.605 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.151 3.464 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.774 4.115 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.984 5.841 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.064 6.361 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.857 5.835 7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.088 5.448 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.809 3.392 7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.153 3.654 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.312 1.883 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.400 3.176 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.002 2.946 5.591 1.00 0.00 H new ATOM 302 N LEU A 18 12.958 4.723 3.003 1.00 0.00 N ATOM 303 CA LEU A 18 14.253 4.272 2.510 1.00 0.00 C ATOM 304 C LEU A 18 15.369 4.806 3.405 1.00 0.00 C ATOM 305 O LEU A 18 15.158 5.736 4.185 1.00 0.00 O ATOM 306 CB LEU A 18 14.489 4.738 1.072 1.00 0.00 C ATOM 307 CG LEU A 18 13.253 4.760 0.170 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.614 5.312 -1.202 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.654 3.366 0.044 1.00 0.00 C ATOM 0 H LEU A 18 12.799 5.725 2.898 1.00 0.00 H new ATOM 0 HA LEU A 18 14.257 3.182 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.914 5.742 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.237 4.088 0.617 1.00 0.00 H new ATOM 0 HG LEU A 18 12.505 5.411 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.727 5.323 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.997 6.327 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.377 4.682 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.776 3.404 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.393 2.690 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.364 3.004 1.030 1.00 0.00 H new ATOM 321 N ASP A 19 16.548 4.206 3.298 1.00 0.00 N ATOM 322 CA ASP A 19 17.693 4.618 4.114 1.00 0.00 C ATOM 323 C ASP A 19 18.678 5.471 3.309 1.00 0.00 C ATOM 324 O ASP A 19 18.400 5.854 2.173 1.00 0.00 O ATOM 325 CB ASP A 19 18.404 3.386 4.687 1.00 0.00 C ATOM 326 CG ASP A 19 18.580 2.284 3.663 1.00 0.00 C ATOM 327 OD1 ASP A 19 18.756 2.604 2.470 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.542 1.099 4.055 1.00 0.00 O ATOM 0 H ASP A 19 16.740 3.435 2.658 1.00 0.00 H new ATOM 0 HA ASP A 19 17.317 5.229 4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.381 3.681 5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.833 3.003 5.533 1.00 0.00 H new ATOM 333 N ARG A 20 19.838 5.751 3.907 1.00 0.00 N ATOM 334 CA ARG A 20 20.877 6.551 3.250 1.00 0.00 C ATOM 335 C ARG A 20 21.484 5.798 2.068 1.00 0.00 C ATOM 336 O ARG A 20 22.211 6.373 1.259 1.00 0.00 O ATOM 337 CB ARG A 20 21.989 6.914 4.241 1.00 0.00 C ATOM 338 CG ARG A 20 21.504 7.114 5.668 1.00 0.00 C ATOM 339 CD ARG A 20 22.011 8.426 6.249 1.00 0.00 C ATOM 340 NE ARG A 20 21.716 9.558 5.374 1.00 0.00 N ATOM 341 CZ ARG A 20 22.551 10.573 5.157 1.00 0.00 C ATOM 342 NH1 ARG A 20 23.729 10.622 5.768 1.00 0.00 N ATOM 343 NH2 ARG A 20 22.202 11.550 4.331 1.00 0.00 N ATOM 0 H ARG A 20 20.083 5.436 4.846 1.00 0.00 H new ATOM 0 HA ARG A 20 20.405 7.463 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.742 6.126 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.479 7.827 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.414 7.103 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 20 21.843 6.285 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.554 8.592 7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.087 8.361 6.408 1.00 0.00 H new ATOM 0 HE ARG A 20 20.813 9.572 4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.002 9.878 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.361 11.404 5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.296 11.523 3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.840 12.328 4.163 1.00 0.00 H new ATOM 357 N ASN A 21 21.178 4.513 1.983 1.00 0.00 N ATOM 358 CA ASN A 21 21.676 3.670 0.920 1.00 0.00 C ATOM 359 C ASN A 21 20.708 3.679 -0.251 1.00 0.00 C ATOM 360 O ASN A 21 21.010 3.174 -1.333 1.00 0.00 O ATOM 361 CB ASN A 21 21.872 2.239 1.426 1.00 0.00 C ATOM 362 CG ASN A 21 21.924 2.131 2.938 1.00 0.00 C ATOM 363 OD1 ASN A 21 22.643 2.877 3.603 1.00 0.00 O ATOM 364 ND2 ASN A 21 21.164 1.192 3.485 1.00 0.00 N ATOM 0 H ASN A 21 20.577 4.030 2.651 1.00 0.00 H new ATOM 0 HA ASN A 21 22.638 4.060 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.059 1.616 1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.796 1.839 1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.159 1.065 4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.584 0.597 2.894 1.00 0.00 H new ATOM 371 N GLY A 22 19.532 4.244 -0.014 1.00 0.00 N ATOM 372 CA GLY A 22 18.517 4.300 -1.032 1.00 0.00 C ATOM 373 C GLY A 22 17.728 3.011 -1.085 1.00 0.00 C ATOM 374 O GLY A 22 16.880 2.815 -1.955 1.00 0.00 O ATOM 0 H GLY A 22 19.267 4.667 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.844 5.134 -0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.979 4.487 -2.001 1.00 0.00 H new ATOM 378 N ALA A 23 18.021 2.140 -0.130 1.00 0.00 N ATOM 379 CA ALA A 23 17.372 0.862 -0.012 1.00 0.00 C ATOM 380 C ALA A 23 16.109 1.006 0.810 1.00 0.00 C ATOM 381 O ALA A 23 15.965 1.945 1.591 1.00 0.00 O ATOM 382 CB ALA A 23 18.327 -0.131 0.626 1.00 0.00 C ATOM 0 H ALA A 23 18.725 2.312 0.588 1.00 0.00 H new ATOM 0 HA ALA A 23 17.096 0.492 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.837 -1.100 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.217 -0.231 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.614 0.224 1.616 1.00 0.00 H new ATOM 388 N VAL A 24 15.191 0.088 0.618 1.00 0.00 N ATOM 389 CA VAL A 24 13.922 0.126 1.323 1.00 0.00 C ATOM 390 C VAL A 24 14.014 -0.619 2.647 1.00 0.00 C ATOM 391 O VAL A 24 14.182 -1.838 2.676 1.00 0.00 O ATOM 392 CB VAL A 24 12.816 -0.462 0.442 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.447 -0.210 1.057 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.918 0.141 -0.955 1.00 0.00 C ATOM 0 H VAL A 24 15.296 -0.699 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 24 13.677 1.165 1.543 1.00 0.00 H new ATOM 0 HB VAL A 24 12.942 -1.542 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.676 -0.636 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.399 -0.677 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.285 0.863 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.133 -0.273 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.802 1.223 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.892 -0.095 -1.383 1.00 0.00 H new ATOM 404 N LYS A 25 13.921 0.128 3.743 1.00 0.00 N ATOM 405 CA LYS A 25 14.012 -0.453 5.076 1.00 0.00 C ATOM 406 C LYS A 25 12.640 -0.697 5.682 1.00 0.00 C ATOM 407 O LYS A 25 12.486 -1.564 6.543 1.00 0.00 O ATOM 408 CB LYS A 25 14.818 0.460 6.001 1.00 0.00 C ATOM 409 CG LYS A 25 16.276 0.596 5.602 1.00 0.00 C ATOM 410 CD LYS A 25 17.196 0.488 6.806 1.00 0.00 C ATOM 411 CE LYS A 25 17.315 -0.950 7.286 1.00 0.00 C ATOM 412 NZ LYS A 25 18.728 -1.328 7.559 1.00 0.00 N ATOM 0 H LYS A 25 13.782 1.138 3.733 1.00 0.00 H new ATOM 0 HA LYS A 25 14.516 -1.414 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.359 1.449 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.763 0.072 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.530 -0.179 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.431 1.556 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.184 0.869 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.815 1.113 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.723 -1.081 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.899 -1.620 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.767 -2.315 7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.289 -1.228 6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.118 -0.706 8.295 1.00 0.00 H new ATOM 426 N LEU A 26 11.636 0.050 5.232 1.00 0.00 N ATOM 427 CA LEU A 26 10.291 -0.128 5.766 1.00 0.00 C ATOM 428 C LEU A 26 9.239 0.402 4.807 1.00 0.00 C ATOM 429 O LEU A 26 9.543 1.156 3.892 1.00 0.00 O ATOM 430 CB LEU A 26 10.152 0.595 7.107 1.00 0.00 C ATOM 431 CG LEU A 26 10.147 -0.288 8.347 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.271 0.580 9.595 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.881 -1.135 8.405 1.00 0.00 C ATOM 0 H LEU A 26 11.724 0.769 4.514 1.00 0.00 H new ATOM 0 HA LEU A 26 10.133 -1.198 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.970 1.309 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.226 1.171 7.092 1.00 0.00 H new ATOM 0 HG LEU A 26 10.999 -0.966 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.267 -0.054 10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.204 1.143 9.556 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.431 1.273 9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.900 -1.757 9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.008 -0.483 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.828 -1.771 7.521 1.00 0.00 H new ATOM 445 N TYR A 27 8.002 -0.016 5.021 1.00 0.00 N ATOM 446 CA TYR A 27 6.875 0.390 4.186 1.00 0.00 C ATOM 447 C TYR A 27 5.637 0.680 5.032 1.00 0.00 C ATOM 448 O TYR A 27 5.426 0.070 6.081 1.00 0.00 O ATOM 449 CB TYR A 27 6.474 -0.732 3.223 1.00 0.00 C ATOM 450 CG TYR A 27 7.338 -0.894 2.002 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.244 -0.017 0.938 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.214 -1.953 1.910 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.015 -0.189 -0.194 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.984 -2.147 0.792 1.00 0.00 C ATOM 455 CZ TYR A 27 8.886 -1.262 -0.265 1.00 0.00 C ATOM 456 OH TYR A 27 9.655 -1.450 -1.392 1.00 0.00 O ATOM 0 H TYR A 27 7.747 -0.648 5.780 1.00 0.00 H new ATOM 0 HA TYR A 27 7.201 1.280 3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.476 -1.673 3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.449 -0.555 2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.557 0.815 0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.296 -2.645 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.939 0.507 -1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.662 -2.986 0.738 1.00 0.00 H new ATOM 0 HH TYR A 27 10.212 -2.248 -1.278 1.00 0.00 H new ATOM 466 N ARG A 28 4.809 1.574 4.526 1.00 0.00 N ATOM 467 CA ARG A 28 3.549 1.938 5.153 1.00 0.00 C ATOM 468 C ARG A 28 2.426 1.295 4.350 1.00 0.00 C ATOM 469 O ARG A 28 2.325 1.521 3.130 1.00 0.00 O ATOM 470 CB ARG A 28 3.397 3.467 5.196 1.00 0.00 C ATOM 471 CG ARG A 28 1.970 3.982 5.105 1.00 0.00 C ATOM 472 CD ARG A 28 1.705 5.123 6.075 1.00 0.00 C ATOM 473 NE ARG A 28 0.320 5.590 5.991 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.430 5.911 7.041 1.00 0.00 C ATOM 475 NH1 ARG A 28 0.074 5.882 8.268 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.694 6.278 6.860 1.00 0.00 N ATOM 0 H ARG A 28 4.993 2.075 3.657 1.00 0.00 H new ATOM 0 HA ARG A 28 3.515 1.582 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.839 3.833 6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.973 3.896 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.772 4.320 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.278 3.165 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.918 4.794 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.382 5.949 5.859 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.098 5.675 5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.047 5.611 8.414 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.511 6.130 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.085 6.313 5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.273 6.525 7.662 1.00 0.00 H new ATOM 490 N ILE A 29 1.611 0.479 5.036 1.00 0.00 N ATOM 491 CA ILE A 29 0.502 -0.239 4.395 1.00 0.00 C ATOM 492 C ILE A 29 -0.830 0.044 5.086 1.00 0.00 C ATOM 493 O ILE A 29 -1.013 -0.279 6.260 1.00 0.00 O ATOM 494 CB ILE A 29 0.754 -1.762 4.405 1.00 0.00 C ATOM 495 CG1 ILE A 29 2.195 -2.061 3.965 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.259 -2.472 3.512 1.00 0.00 C ATOM 497 CD1 ILE A 29 2.401 -3.455 3.417 1.00 0.00 C ATOM 0 H ILE A 29 1.701 0.301 6.036 1.00 0.00 H new ATOM 0 HA ILE A 29 0.449 0.119 3.367 1.00 0.00 H new ATOM 0 HB ILE A 29 0.626 -2.139 5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.488 -1.337 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.860 -1.916 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.069 -3.545 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.267 -2.276 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.165 -2.103 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.445 -3.583 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.142 -4.188 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.765 -3.601 2.544 1.00 0.00 H new ATOM 509 N ARG A 30 -1.768 0.632 4.345 1.00 0.00 N ATOM 510 CA ARG A 30 -3.077 0.951 4.890 1.00 0.00 C ATOM 511 C ARG A 30 -4.058 -0.197 4.680 1.00 0.00 C ATOM 512 O ARG A 30 -4.510 -0.447 3.564 1.00 0.00 O ATOM 513 CB ARG A 30 -3.620 2.243 4.271 1.00 0.00 C ATOM 514 CG ARG A 30 -4.985 2.654 4.794 1.00 0.00 C ATOM 515 CD ARG A 30 -5.567 3.792 3.972 1.00 0.00 C ATOM 516 NE ARG A 30 -6.421 3.304 2.890 1.00 0.00 N ATOM 517 CZ ARG A 30 -7.752 3.382 2.891 1.00 0.00 C ATOM 518 NH1 ARG A 30 -8.397 3.944 3.907 1.00 0.00 N ATOM 519 NH2 ARG A 30 -8.441 2.896 1.867 1.00 0.00 N ATOM 0 H ARG A 30 -1.642 0.895 3.368 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.963 1.102 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.912 3.050 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.679 2.118 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.661 1.799 4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.901 2.961 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.145 4.450 4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.756 4.389 3.553 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.969 2.876 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.874 4.321 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.416 3.998 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.952 2.464 1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.459 2.954 1.864 1.00 0.00 H new ATOM 533 N TRP A 31 -4.382 -0.885 5.772 1.00 0.00 N ATOM 534 CA TRP A 31 -5.316 -2.005 5.736 1.00 0.00 C ATOM 535 C TRP A 31 -5.804 -2.347 7.143 1.00 0.00 C ATOM 536 O TRP A 31 -6.859 -1.874 7.561 1.00 0.00 O ATOM 537 CB TRP A 31 -4.709 -3.247 5.063 1.00 0.00 C ATOM 538 CG TRP A 31 -3.320 -3.591 5.506 1.00 0.00 C ATOM 539 CD1 TRP A 31 -2.428 -2.762 6.100 1.00 0.00 C ATOM 540 CD2 TRP A 31 -2.675 -4.863 5.390 1.00 0.00 C ATOM 541 NE1 TRP A 31 -1.254 -3.431 6.350 1.00 0.00 N ATOM 542 CE2 TRP A 31 -1.383 -4.725 5.919 1.00 0.00 C ATOM 543 CE3 TRP A 31 -3.065 -6.104 4.881 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -0.478 -5.780 5.953 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -2.167 -7.150 4.916 1.00 0.00 C ATOM 546 CH2 TRP A 31 -0.886 -6.982 5.448 1.00 0.00 C ATOM 0 H TRP A 31 -4.008 -0.683 6.699 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.167 -1.691 5.132 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.358 -4.101 5.257 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.702 -3.091 3.984 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -2.613 -1.726 6.342 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.423 -3.030 6.785 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.053 -6.242 4.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.513 -5.654 6.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.458 -8.114 4.526 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.204 -7.820 5.460 1.00 0.00 H new ATOM 557 N LEU A 32 -5.046 -3.172 7.864 1.00 0.00 N ATOM 558 CA LEU A 32 -5.423 -3.564 9.211 1.00 0.00 C ATOM 559 C LEU A 32 -6.764 -4.293 9.191 1.00 0.00 C ATOM 560 O LEU A 32 -6.814 -5.523 9.227 1.00 0.00 O ATOM 561 CB LEU A 32 -5.463 -2.325 10.121 1.00 0.00 C ATOM 562 CG LEU A 32 -6.398 -2.388 11.336 1.00 0.00 C ATOM 563 CD1 LEU A 32 -6.291 -3.729 12.053 1.00 0.00 C ATOM 564 CD2 LEU A 32 -6.088 -1.247 12.295 1.00 0.00 C ATOM 0 H LEU A 32 -4.170 -3.578 7.534 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.680 -4.253 9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.452 -2.135 10.480 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.752 -1.467 9.514 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.422 -2.285 10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.967 -3.739 12.908 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.562 -4.531 11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.267 -3.877 12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.757 -1.301 13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.055 -1.327 12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.229 -0.294 11.785 1.00 0.00 H new ATOM 576 N ASN A 33 -7.844 -3.528 9.136 1.00 0.00 N ATOM 577 CA ASN A 33 -9.187 -4.094 9.115 1.00 0.00 C ATOM 578 C ASN A 33 -9.591 -4.528 7.708 1.00 0.00 C ATOM 579 O ASN A 33 -10.629 -5.164 7.536 1.00 0.00 O ATOM 580 CB ASN A 33 -10.197 -3.090 9.670 1.00 0.00 C ATOM 581 CG ASN A 33 -10.187 -3.043 11.177 1.00 0.00 C ATOM 582 OD1 ASN A 33 -9.140 -3.131 11.812 1.00 0.00 O ATOM 583 ND2 ASN A 33 -11.367 -2.918 11.754 1.00 0.00 N ATOM 0 H ASN A 33 -7.817 -2.509 9.105 1.00 0.00 H new ATOM 0 HA ASN A 33 -9.182 -4.981 9.749 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.974 -2.098 9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.196 -3.354 9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.437 -2.891 12.771 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.209 -2.848 11.183 1.00 0.00 H new ATOM 590 N TYR A 34 -8.778 -4.147 6.712 1.00 0.00 N ATOM 591 CA TYR A 34 -9.031 -4.473 5.298 1.00 0.00 C ATOM 592 C TYR A 34 -9.899 -3.420 4.631 1.00 0.00 C ATOM 593 O TYR A 34 -10.258 -3.558 3.461 1.00 0.00 O ATOM 594 CB TYR A 34 -9.712 -5.836 5.127 1.00 0.00 C ATOM 595 CG TYR A 34 -8.788 -7.038 5.221 1.00 0.00 C ATOM 596 CD1 TYR A 34 -7.401 -6.903 5.188 1.00 0.00 C ATOM 597 CD2 TYR A 34 -9.312 -8.320 5.331 1.00 0.00 C ATOM 598 CE1 TYR A 34 -6.574 -8.008 5.258 1.00 0.00 C ATOM 599 CE2 TYR A 34 -8.491 -9.428 5.406 1.00 0.00 C ATOM 600 CZ TYR A 34 -7.124 -9.267 5.367 1.00 0.00 C ATOM 601 OH TYR A 34 -6.303 -10.372 5.437 1.00 0.00 O ATOM 0 H TYR A 34 -7.927 -3.605 6.862 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.051 -4.503 4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.488 -5.934 5.886 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.210 -5.856 4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.965 -5.918 5.106 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.383 -8.453 5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.501 -7.885 5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.919 -10.416 5.495 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.850 -11.182 5.512 1.00 0.00 H new ATOM 611 N SER A 35 -10.251 -2.384 5.373 1.00 0.00 N ATOM 612 CA SER A 35 -11.096 -1.330 4.839 1.00 0.00 C ATOM 613 C SER A 35 -11.327 -0.242 5.882 1.00 0.00 C ATOM 614 O SER A 35 -11.860 -0.505 6.960 1.00 0.00 O ATOM 615 CB SER A 35 -12.427 -1.932 4.376 1.00 0.00 C ATOM 616 OG SER A 35 -13.448 -1.741 5.342 1.00 0.00 O ATOM 0 H SER A 35 -9.966 -2.250 6.343 1.00 0.00 H new ATOM 0 HA SER A 35 -10.597 -0.869 3.986 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.726 -1.474 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.299 -2.998 4.186 1.00 0.00 H new ATOM 0 HG SER A 35 -13.044 -1.627 6.227 1.00 0.00 H new ATOM 622 N SER A 36 -10.912 0.978 5.559 1.00 0.00 N ATOM 623 CA SER A 36 -11.069 2.101 6.475 1.00 0.00 C ATOM 624 C SER A 36 -10.301 1.852 7.769 1.00 0.00 C ATOM 625 O SER A 36 -9.543 0.888 7.876 1.00 0.00 O ATOM 626 CB SER A 36 -12.554 2.336 6.776 1.00 0.00 C ATOM 627 OG SER A 36 -13.361 1.975 5.668 1.00 0.00 O ATOM 0 H SER A 36 -10.466 1.214 4.673 1.00 0.00 H new ATOM 0 HA SER A 36 -10.661 2.993 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.848 1.754 7.649 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.717 3.385 7.023 1.00 0.00 H new ATOM 0 HG SER A 36 -14.304 2.132 5.885 1.00 0.00 H new ATOM 633 N ARG A 37 -10.511 2.721 8.753 1.00 0.00 N ATOM 634 CA ARG A 37 -9.843 2.595 10.046 1.00 0.00 C ATOM 635 C ARG A 37 -8.370 3.002 9.944 1.00 0.00 C ATOM 636 O ARG A 37 -7.994 3.758 9.047 1.00 0.00 O ATOM 637 CB ARG A 37 -9.985 1.167 10.586 1.00 0.00 C ATOM 638 CG ARG A 37 -10.632 1.111 11.962 1.00 0.00 C ATOM 639 CD ARG A 37 -9.787 0.322 12.948 1.00 0.00 C ATOM 640 NE ARG A 37 -9.931 0.825 14.313 1.00 0.00 N ATOM 641 CZ ARG A 37 -10.568 0.176 15.289 1.00 0.00 C ATOM 642 NH1 ARG A 37 -11.146 -0.997 15.059 1.00 0.00 N ATOM 643 NH2 ARG A 37 -10.633 0.710 16.502 1.00 0.00 N ATOM 0 H ARG A 37 -11.139 3.521 8.680 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.326 3.274 10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.579 0.578 9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.000 0.704 10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.778 2.124 12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.619 0.655 11.882 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.077 -0.728 12.916 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.740 0.373 12.651 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.518 1.731 14.533 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.106 -1.411 14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.630 -1.484 15.813 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.197 1.614 16.685 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.119 0.217 17.251 1.00 0.00 H new ATOM 657 N SER A 38 -7.543 2.526 10.876 1.00 0.00 N ATOM 658 CA SER A 38 -6.123 2.874 10.885 1.00 0.00 C ATOM 659 C SER A 38 -5.273 1.871 10.098 1.00 0.00 C ATOM 660 O SER A 38 -5.777 0.868 9.595 1.00 0.00 O ATOM 661 CB SER A 38 -5.614 2.983 12.323 1.00 0.00 C ATOM 662 OG SER A 38 -6.540 2.421 13.238 1.00 0.00 O ATOM 0 H SER A 38 -7.831 1.902 11.630 1.00 0.00 H new ATOM 0 HA SER A 38 -6.025 3.840 10.390 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.655 2.472 12.412 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.442 4.030 12.572 1.00 0.00 H new ATOM 0 HG SER A 38 -6.189 2.502 14.150 1.00 0.00 H new ATOM 668 N ASP A 39 -3.978 2.169 9.994 1.00 0.00 N ATOM 669 CA ASP A 39 -3.036 1.328 9.253 1.00 0.00 C ATOM 670 C ASP A 39 -1.766 1.060 10.059 1.00 0.00 C ATOM 671 O ASP A 39 -1.530 1.694 11.088 1.00 0.00 O ATOM 672 CB ASP A 39 -2.667 2.030 7.948 1.00 0.00 C ATOM 673 CG ASP A 39 -2.302 3.485 8.160 1.00 0.00 C ATOM 674 OD1 ASP A 39 -1.187 3.746 8.655 1.00 0.00 O ATOM 675 OD2 ASP A 39 -3.131 4.359 7.833 1.00 0.00 O ATOM 0 H ASP A 39 -3.554 2.994 10.418 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.515 0.370 9.053 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.828 1.511 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.505 1.966 7.254 1.00 0.00 H new ATOM 680 N THR A 40 -0.931 0.139 9.568 1.00 0.00 N ATOM 681 CA THR A 40 0.325 -0.186 10.240 1.00 0.00 C ATOM 682 C THR A 40 1.498 -0.249 9.257 1.00 0.00 C ATOM 683 O THR A 40 1.323 -0.193 8.031 1.00 0.00 O ATOM 684 CB THR A 40 0.213 -1.506 11.011 1.00 0.00 C ATOM 685 OG1 THR A 40 1.488 -2.100 11.193 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.675 -2.529 10.342 1.00 0.00 C ATOM 0 H THR A 40 -1.103 -0.390 8.713 1.00 0.00 H new ATOM 0 HA THR A 40 0.523 0.619 10.948 1.00 0.00 H new ATOM 0 HB THR A 40 -0.236 -1.232 11.966 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.390 -2.940 11.689 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.705 -3.436 10.946 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.683 -2.126 10.242 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.279 -2.764 9.354 1.00 0.00 H new ATOM 694 N TRP A 41 2.700 -0.344 9.818 1.00 0.00 N ATOM 695 CA TRP A 41 3.926 -0.394 9.040 1.00 0.00 C ATOM 696 C TRP A 41 4.518 -1.803 9.032 1.00 0.00 C ATOM 697 O TRP A 41 4.598 -2.473 10.061 1.00 0.00 O ATOM 698 CB TRP A 41 4.943 0.606 9.610 1.00 0.00 C ATOM 699 CG TRP A 41 4.450 2.024 9.594 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.516 2.579 10.421 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.860 3.063 8.700 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.316 3.899 10.089 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.135 4.220 9.037 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.769 3.123 7.646 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.298 5.424 8.354 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.930 4.315 6.964 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.198 5.454 7.323 1.00 0.00 C ATOM 0 H TRP A 41 2.848 -0.388 10.826 1.00 0.00 H new ATOM 0 HA TRP A 41 3.691 -0.124 8.010 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.185 0.324 10.635 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.867 0.543 9.035 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.008 2.058 11.219 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.665 4.535 10.550 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.340 2.250 7.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.734 6.303 8.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.630 4.369 6.143 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.346 6.373 6.776 1.00 0.00 H new ATOM 718 N GLU A 42 4.946 -2.220 7.854 1.00 0.00 N ATOM 719 CA GLU A 42 5.551 -3.517 7.641 1.00 0.00 C ATOM 720 C GLU A 42 6.812 -3.357 6.806 1.00 0.00 C ATOM 721 O GLU A 42 6.933 -2.396 6.072 1.00 0.00 O ATOM 722 CB GLU A 42 4.578 -4.447 6.918 1.00 0.00 C ATOM 723 CG GLU A 42 3.107 -4.054 7.026 1.00 0.00 C ATOM 724 CD GLU A 42 2.281 -5.105 7.737 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.430 -6.299 7.402 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.480 -4.736 8.622 1.00 0.00 O ATOM 0 H GLU A 42 4.881 -1.656 7.007 1.00 0.00 H new ATOM 0 HA GLU A 42 5.801 -3.952 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.852 -4.485 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.699 -5.455 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.025 -3.108 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.702 -3.892 6.027 1.00 0.00 H new ATOM 733 N PRO A 43 7.756 -4.305 6.878 1.00 0.00 N ATOM 734 CA PRO A 43 8.984 -4.241 6.091 1.00 0.00 C ATOM 735 C PRO A 43 8.753 -4.651 4.636 1.00 0.00 C ATOM 736 O PRO A 43 7.669 -5.107 4.279 1.00 0.00 O ATOM 737 CB PRO A 43 9.931 -5.227 6.784 1.00 0.00 C ATOM 738 CG PRO A 43 9.131 -5.932 7.842 1.00 0.00 C ATOM 739 CD PRO A 43 7.690 -5.512 7.696 1.00 0.00 C ATOM 0 HA PRO A 43 9.381 -3.227 6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.337 -5.941 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.778 -4.703 7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.226 -7.013 7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.503 -5.677 8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.095 -6.288 7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.232 -5.313 8.665 1.00 0.00 H new ATOM 747 N PRO A 44 9.786 -4.539 3.777 1.00 0.00 N ATOM 748 CA PRO A 44 9.675 -4.924 2.368 1.00 0.00 C ATOM 749 C PRO A 44 9.699 -6.427 2.181 1.00 0.00 C ATOM 750 O PRO A 44 8.889 -7.002 1.452 1.00 0.00 O ATOM 751 CB PRO A 44 10.916 -4.308 1.739 1.00 0.00 C ATOM 752 CG PRO A 44 11.900 -4.226 2.819 1.00 0.00 C ATOM 753 CD PRO A 44 11.141 -4.070 4.113 1.00 0.00 C ATOM 0 HA PRO A 44 8.736 -4.588 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.285 -4.921 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.700 -3.322 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.518 -5.123 2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.570 -3.381 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.584 -4.664 4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.134 -3.034 4.452 1.00 0.00 H new ATOM 761 N GLU A 45 10.669 -7.040 2.825 1.00 0.00 N ATOM 762 CA GLU A 45 10.865 -8.489 2.754 1.00 0.00 C ATOM 763 C GLU A 45 9.586 -9.253 3.107 1.00 0.00 C ATOM 764 O GLU A 45 9.426 -10.411 2.722 1.00 0.00 O ATOM 765 CB GLU A 45 12.001 -8.917 3.686 1.00 0.00 C ATOM 766 CG GLU A 45 13.276 -8.111 3.503 1.00 0.00 C ATOM 767 CD GLU A 45 14.478 -8.982 3.187 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.464 -10.174 3.561 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.433 -8.471 2.565 1.00 0.00 O ATOM 0 H GLU A 45 11.348 -6.557 3.414 1.00 0.00 H new ATOM 0 HA GLU A 45 11.128 -8.734 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.667 -8.823 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.220 -9.971 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.133 -7.390 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.474 -7.541 4.410 1.00 0.00 H new ATOM 776 N ASN A 46 8.674 -8.601 3.823 1.00 0.00 N ATOM 777 CA ASN A 46 7.414 -9.216 4.200 1.00 0.00 C ATOM 778 C ASN A 46 6.481 -9.250 2.998 1.00 0.00 C ATOM 779 O ASN A 46 5.596 -10.101 2.899 1.00 0.00 O ATOM 780 CB ASN A 46 6.764 -8.426 5.334 1.00 0.00 C ATOM 781 CG ASN A 46 7.226 -8.865 6.709 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.137 -9.683 6.843 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.593 -8.319 7.742 1.00 0.00 N ATOM 0 H ASN A 46 8.789 -7.643 4.153 1.00 0.00 H new ATOM 0 HA ASN A 46 7.603 -10.234 4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.986 -7.367 5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.681 -8.535 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.856 -8.574 8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.844 -7.645 7.583 1.00 0.00 H new ATOM 790 N LEU A 47 6.692 -8.303 2.089 1.00 0.00 N ATOM 791 CA LEU A 47 5.885 -8.206 0.884 1.00 0.00 C ATOM 792 C LEU A 47 6.424 -9.110 -0.214 1.00 0.00 C ATOM 793 O LEU A 47 6.193 -8.859 -1.396 1.00 0.00 O ATOM 794 CB LEU A 47 5.841 -6.786 0.337 1.00 0.00 C ATOM 795 CG LEU A 47 6.318 -5.672 1.263 1.00 0.00 C ATOM 796 CD1 LEU A 47 7.040 -4.627 0.450 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.161 -5.043 2.014 1.00 0.00 C ATOM 0 H LEU A 47 7.418 -7.591 2.167 1.00 0.00 H new ATOM 0 HA LEU A 47 4.880 -8.516 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.444 -6.754 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.814 -6.567 0.045 1.00 0.00 H new ATOM 0 HG LEU A 47 6.996 -6.100 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.383 -3.828 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.897 -5.081 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.362 -4.216 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.536 -4.253 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.452 -4.621 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.662 -5.803 2.616 1.00 0.00 H new ATOM 809 N SER A 48 7.137 -10.154 0.164 1.00 0.00 N ATOM 810 CA SER A 48 7.680 -11.081 -0.820 1.00 0.00 C ATOM 811 C SER A 48 6.531 -11.772 -1.546 1.00 0.00 C ATOM 812 O SER A 48 6.429 -11.711 -2.772 1.00 0.00 O ATOM 813 CB SER A 48 8.589 -12.111 -0.147 1.00 0.00 C ATOM 814 OG SER A 48 7.840 -13.003 0.659 1.00 0.00 O ATOM 0 H SER A 48 7.354 -10.383 1.134 1.00 0.00 H new ATOM 0 HA SER A 48 8.281 -10.528 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.133 -12.672 -0.907 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.332 -11.600 0.465 1.00 0.00 H new ATOM 0 HG SER A 48 8.444 -13.652 1.076 1.00 0.00 H new ATOM 820 N GLY A 49 5.649 -12.408 -0.774 1.00 0.00 N ATOM 821 CA GLY A 49 4.498 -13.074 -1.354 1.00 0.00 C ATOM 822 C GLY A 49 3.478 -12.081 -1.892 1.00 0.00 C ATOM 823 O GLY A 49 2.461 -12.469 -2.466 1.00 0.00 O ATOM 0 H GLY A 49 5.714 -12.472 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.826 -13.730 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.027 -13.706 -0.601 1.00 0.00 H new ATOM 827 N CYS A 50 3.769 -10.793 -1.717 1.00 0.00 N ATOM 828 CA CYS A 50 2.919 -9.718 -2.186 1.00 0.00 C ATOM 829 C CYS A 50 3.354 -9.268 -3.578 1.00 0.00 C ATOM 830 O CYS A 50 3.048 -8.160 -4.016 1.00 0.00 O ATOM 831 CB CYS A 50 3.063 -8.562 -1.226 1.00 0.00 C ATOM 832 SG CYS A 50 2.306 -8.833 0.394 1.00 0.00 S ATOM 0 H CYS A 50 4.611 -10.471 -1.240 1.00 0.00 H new ATOM 0 HA CYS A 50 1.885 -10.059 -2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.123 -8.352 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.619 -7.675 -1.677 1.00 0.00 H new ATOM 0 HG CYS A 50 2.489 -7.784 1.139 1.00 0.00 H new ATOM 838 N SER A 51 4.084 -10.148 -4.246 1.00 0.00 N ATOM 839 CA SER A 51 4.605 -9.895 -5.589 1.00 0.00 C ATOM 840 C SER A 51 3.665 -8.999 -6.393 1.00 0.00 C ATOM 841 O SER A 51 4.053 -7.919 -6.824 1.00 0.00 O ATOM 842 CB SER A 51 4.832 -11.216 -6.329 1.00 0.00 C ATOM 843 OG SER A 51 6.172 -11.330 -6.780 1.00 0.00 O ATOM 0 H SER A 51 4.335 -11.064 -3.873 1.00 0.00 H new ATOM 0 HA SER A 51 5.557 -9.375 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.596 -12.050 -5.669 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.153 -11.280 -7.179 1.00 0.00 H new ATOM 0 HG SER A 51 6.288 -12.184 -7.247 1.00 0.00 H new ATOM 849 N ALA A 52 2.433 -9.455 -6.594 1.00 0.00 N ATOM 850 CA ALA A 52 1.446 -8.679 -7.343 1.00 0.00 C ATOM 851 C ALA A 52 1.235 -7.313 -6.693 1.00 0.00 C ATOM 852 O ALA A 52 1.286 -6.270 -7.355 1.00 0.00 O ATOM 853 CB ALA A 52 0.131 -9.438 -7.431 1.00 0.00 C ATOM 0 H ALA A 52 2.093 -10.354 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 52 1.822 -8.523 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.593 -8.847 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.293 -10.389 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.251 -9.622 -6.427 1.00 0.00 H new ATOM 859 N VAL A 53 1.004 -7.323 -5.385 1.00 0.00 N ATOM 860 CA VAL A 53 0.793 -6.090 -4.638 1.00 0.00 C ATOM 861 C VAL A 53 1.944 -5.126 -4.875 1.00 0.00 C ATOM 862 O VAL A 53 1.742 -3.977 -5.280 1.00 0.00 O ATOM 863 CB VAL A 53 0.690 -6.396 -3.125 1.00 0.00 C ATOM 864 CG1 VAL A 53 0.509 -5.128 -2.315 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.438 -7.380 -2.850 1.00 0.00 C ATOM 0 H VAL A 53 0.958 -8.171 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.136 -5.634 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 53 1.629 -6.855 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.440 -5.379 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.361 -4.468 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.405 -4.623 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.493 -7.581 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.383 -6.954 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.248 -8.310 -3.385 1.00 0.00 H new ATOM 875 N LEU A 54 3.156 -5.608 -4.643 1.00 0.00 N ATOM 876 CA LEU A 54 4.342 -4.797 -4.849 1.00 0.00 C ATOM 877 C LEU A 54 4.349 -4.248 -6.261 1.00 0.00 C ATOM 878 O LEU A 54 4.749 -3.115 -6.497 1.00 0.00 O ATOM 879 CB LEU A 54 5.611 -5.621 -4.633 1.00 0.00 C ATOM 880 CG LEU A 54 5.914 -6.004 -3.187 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.236 -6.752 -3.110 1.00 0.00 C ATOM 882 CD2 LEU A 54 5.945 -4.769 -2.299 1.00 0.00 C ATOM 0 H LEU A 54 3.342 -6.555 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 54 4.322 -3.980 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.534 -6.534 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.458 -5.059 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 54 5.121 -6.659 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.442 -7.020 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.178 -7.657 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.037 -6.115 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.163 -5.064 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.718 -4.086 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.977 -4.270 -2.336 1.00 0.00 H new ATOM 894 N ALA A 55 3.915 -5.082 -7.194 1.00 0.00 N ATOM 895 CA ALA A 55 3.882 -4.722 -8.598 1.00 0.00 C ATOM 896 C ALA A 55 2.974 -3.538 -8.871 1.00 0.00 C ATOM 897 O ALA A 55 3.320 -2.666 -9.678 1.00 0.00 O ATOM 898 CB ALA A 55 3.467 -5.917 -9.444 1.00 0.00 C ATOM 0 H ALA A 55 3.577 -6.024 -6.997 1.00 0.00 H new ATOM 0 HA ALA A 55 4.892 -4.421 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.447 -5.629 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.181 -6.728 -9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.475 -6.251 -9.141 1.00 0.00 H new ATOM 904 N GLU A 56 1.817 -3.471 -8.210 1.00 0.00 N ATOM 905 CA GLU A 56 0.946 -2.352 -8.464 1.00 0.00 C ATOM 906 C GLU A 56 1.582 -1.100 -7.845 1.00 0.00 C ATOM 907 O GLU A 56 1.562 -0.043 -8.454 1.00 0.00 O ATOM 908 CB GLU A 56 -0.490 -2.657 -8.011 1.00 0.00 C ATOM 909 CG GLU A 56 -0.928 -1.954 -6.768 1.00 0.00 C ATOM 910 CD GLU A 56 -2.335 -2.331 -6.344 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.826 -3.391 -6.788 1.00 0.00 O ATOM 912 OE2 GLU A 56 -2.946 -1.567 -5.569 1.00 0.00 O ATOM 0 H GLU A 56 1.483 -4.151 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 56 0.843 -2.157 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.173 -2.392 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.584 -3.732 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.235 -2.188 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.878 -0.877 -6.928 1.00 0.00 H new ATOM 919 N TRP A 57 2.180 -1.232 -6.648 1.00 0.00 N ATOM 920 CA TRP A 57 2.859 -0.090 -5.998 1.00 0.00 C ATOM 921 C TRP A 57 3.932 0.486 -6.915 1.00 0.00 C ATOM 922 O TRP A 57 3.881 1.661 -7.281 1.00 0.00 O ATOM 923 CB TRP A 57 3.493 -0.512 -4.654 1.00 0.00 C ATOM 924 CG TRP A 57 4.218 0.597 -3.930 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.524 0.593 -3.517 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.680 1.866 -3.513 1.00 0.00 C ATOM 927 NE1 TRP A 57 5.826 1.777 -2.913 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.719 2.576 -2.903 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.429 2.478 -3.620 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.551 3.860 -2.394 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.260 3.753 -3.111 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.321 4.432 -2.504 1.00 0.00 C ATOM 0 H TRP A 57 2.209 -2.102 -6.116 1.00 0.00 H new ATOM 0 HA TRP A 57 2.108 0.675 -5.802 1.00 0.00 H new ATOM 0 HB2 TRP A 57 2.710 -0.903 -4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.192 -1.328 -4.837 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.213 -0.228 -3.650 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.737 2.027 -2.528 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.606 1.963 -4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.370 4.386 -1.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.294 4.231 -3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.162 5.427 -2.116 1.00 0.00 H new ATOM 943 N LYS A 58 4.901 -0.348 -7.284 1.00 0.00 N ATOM 944 CA LYS A 58 5.982 0.102 -8.160 1.00 0.00 C ATOM 945 C LYS A 58 5.411 0.829 -9.368 1.00 0.00 C ATOM 946 O LYS A 58 5.836 1.936 -9.693 1.00 0.00 O ATOM 947 CB LYS A 58 6.901 -1.031 -8.621 1.00 0.00 C ATOM 948 CG LYS A 58 6.334 -2.407 -8.440 1.00 0.00 C ATOM 949 CD LYS A 58 6.843 -3.363 -9.512 1.00 0.00 C ATOM 950 CE LYS A 58 7.147 -4.740 -8.940 1.00 0.00 C ATOM 951 NZ LYS A 58 8.604 -4.949 -8.724 1.00 0.00 N ATOM 0 H LYS A 58 4.961 -1.325 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 58 6.595 0.782 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.136 -0.885 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.841 -0.965 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.603 -2.786 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.246 -2.362 -8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.098 -3.454 -10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.743 -2.952 -9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.620 -4.863 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.768 -5.505 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.764 -5.900 -8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.106 -4.858 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.962 -4.236 -8.057 1.00 0.00 H new ATOM 965 N ARG A 59 4.430 0.209 -10.023 1.00 0.00 N ATOM 966 CA ARG A 59 3.796 0.819 -11.188 1.00 0.00 C ATOM 967 C ARG A 59 3.165 2.164 -10.821 1.00 0.00 C ATOM 968 O ARG A 59 3.045 3.059 -11.658 1.00 0.00 O ATOM 969 CB ARG A 59 2.734 -0.122 -11.759 1.00 0.00 C ATOM 970 CG ARG A 59 3.302 -1.184 -12.686 1.00 0.00 C ATOM 971 CD ARG A 59 2.359 -1.496 -13.839 1.00 0.00 C ATOM 972 NE ARG A 59 1.914 -0.289 -14.536 1.00 0.00 N ATOM 973 CZ ARG A 59 0.751 0.319 -14.306 1.00 0.00 C ATOM 974 NH1 ARG A 59 -0.080 -0.144 -13.381 1.00 0.00 N ATOM 975 NH2 ARG A 59 0.423 1.402 -14.998 1.00 0.00 N ATOM 0 H ARG A 59 4.061 -0.707 -9.769 1.00 0.00 H new ATOM 0 HA ARG A 59 4.561 0.994 -11.944 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.212 -0.610 -10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.994 0.465 -12.302 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.259 -0.845 -13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.496 -2.095 -12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.860 -2.157 -14.546 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.491 -2.034 -13.459 1.00 0.00 H new ATOM 0 HE ARG A 59 2.532 0.112 -15.241 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.170 -0.972 -12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.968 0.328 -13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.061 1.768 -15.705 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.467 1.869 -14.823 1.00 0.00 H new ATOM 989 N ARG A 60 2.756 2.283 -9.561 1.00 0.00 N ATOM 990 CA ARG A 60 2.120 3.492 -9.049 1.00 0.00 C ATOM 991 C ARG A 60 3.155 4.553 -8.707 1.00 0.00 C ATOM 992 O ARG A 60 2.945 5.744 -8.935 1.00 0.00 O ATOM 993 CB ARG A 60 1.284 3.147 -7.810 1.00 0.00 C ATOM 994 CG ARG A 60 -0.196 3.478 -7.955 1.00 0.00 C ATOM 995 CD ARG A 60 -0.535 4.819 -7.321 1.00 0.00 C ATOM 996 NE ARG A 60 -1.963 4.940 -7.029 1.00 0.00 N ATOM 997 CZ ARG A 60 -2.614 6.102 -6.956 1.00 0.00 C ATOM 998 NH1 ARG A 60 -1.974 7.247 -7.162 1.00 0.00 N ATOM 999 NH2 ARG A 60 -3.911 6.119 -6.677 1.00 0.00 N ATOM 0 H ARG A 60 2.856 1.543 -8.866 1.00 0.00 H new ATOM 0 HA ARG A 60 1.470 3.897 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.390 2.083 -7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.685 3.686 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.463 3.496 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.792 2.693 -7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.035 4.939 -6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.232 5.624 -7.991 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.494 4.083 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.977 7.242 -7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.479 8.131 -7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.410 5.244 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.409 7.007 -6.621 1.00 0.00 H new ATOM 1013 N LYS A 61 4.275 4.105 -8.160 1.00 0.00 N ATOM 1014 CA LYS A 61 5.361 5.006 -7.785 1.00 0.00 C ATOM 1015 C LYS A 61 5.793 5.834 -8.981 1.00 0.00 C ATOM 1016 O LYS A 61 6.010 7.040 -8.876 1.00 0.00 O ATOM 1017 CB LYS A 61 6.552 4.216 -7.236 1.00 0.00 C ATOM 1018 CG LYS A 61 6.769 4.395 -5.745 1.00 0.00 C ATOM 1019 CD LYS A 61 7.797 3.407 -5.220 1.00 0.00 C ATOM 1020 CE LYS A 61 9.176 3.685 -5.796 1.00 0.00 C ATOM 1021 NZ LYS A 61 9.517 5.134 -5.747 1.00 0.00 N ATOM 0 H LYS A 61 4.458 3.121 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 61 4.998 5.674 -7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.403 3.157 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.455 4.523 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.102 5.413 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.825 4.257 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.837 3.464 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.492 2.392 -5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.923 3.117 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.215 3.338 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.540 5.255 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.002 5.637 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.247 5.523 -4.821 1.00 0.00 H new ATOM 1035 N ARG A 62 5.943 5.150 -10.101 1.00 0.00 N ATOM 1036 CA ARG A 62 6.369 5.712 -11.388 1.00 0.00 C ATOM 1037 C ARG A 62 5.898 7.134 -11.707 1.00 0.00 C ATOM 1038 O ARG A 62 6.318 7.682 -12.728 1.00 0.00 O ATOM 1039 CB ARG A 62 5.951 4.777 -12.524 1.00 0.00 C ATOM 1040 CG ARG A 62 6.504 3.366 -12.391 1.00 0.00 C ATOM 1041 CD ARG A 62 6.022 2.466 -13.519 1.00 0.00 C ATOM 1042 NE ARG A 62 6.075 3.133 -14.816 1.00 0.00 N ATOM 1043 CZ ARG A 62 7.203 3.499 -15.418 1.00 0.00 C ATOM 1044 NH1 ARG A 62 8.378 3.260 -14.849 1.00 0.00 N ATOM 1045 NH2 ARG A 62 7.156 4.102 -16.597 1.00 0.00 N ATOM 0 H ARG A 62 5.766 4.147 -10.150 1.00 0.00 H new ATOM 0 HA ARG A 62 7.452 5.794 -11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.863 4.729 -12.561 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.284 5.200 -13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.593 3.400 -12.392 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.200 2.944 -11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.635 1.565 -13.550 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.999 2.149 -13.317 1.00 0.00 H new ATOM 0 HE ARG A 62 5.193 3.330 -15.290 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.420 2.792 -13.943 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.239 3.544 -15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.256 4.285 -17.041 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.020 4.384 -17.061 1.00 0.00 H new ATOM 1059 N ARG A 63 5.056 7.748 -10.884 1.00 0.00 N ATOM 1060 CA ARG A 63 4.603 9.112 -11.156 1.00 0.00 C ATOM 1061 C ARG A 63 5.771 9.979 -11.627 1.00 0.00 C ATOM 1062 O ARG A 63 5.699 10.629 -12.669 1.00 0.00 O ATOM 1063 CB ARG A 63 3.976 9.718 -9.898 1.00 0.00 C ATOM 1064 CG ARG A 63 2.825 10.669 -10.183 1.00 0.00 C ATOM 1065 CD ARG A 63 2.040 10.991 -8.919 1.00 0.00 C ATOM 1066 NE ARG A 63 1.611 12.389 -8.875 1.00 0.00 N ATOM 1067 CZ ARG A 63 2.257 13.350 -8.215 1.00 0.00 C ATOM 1068 NH1 ARG A 63 3.377 13.084 -7.554 1.00 0.00 N ATOM 1069 NH2 ARG A 63 1.781 14.587 -8.221 1.00 0.00 N ATOM 0 H ARG A 63 4.676 7.332 -10.034 1.00 0.00 H new ATOM 0 HA ARG A 63 3.853 9.078 -11.946 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.619 8.912 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.746 10.251 -9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.213 11.591 -10.616 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.159 10.224 -10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.166 10.343 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.656 10.774 -8.046 1.00 0.00 H new ATOM 0 HE ARG A 63 0.763 12.645 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.752 12.136 -7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.862 13.828 -7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.923 14.801 -8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.273 15.325 -7.717 1.00 0.00 H new ATOM 1083 N LEU A 64 6.854 9.961 -10.855 1.00 0.00 N ATOM 1084 CA LEU A 64 8.044 10.718 -11.186 1.00 0.00 C ATOM 1085 C LEU A 64 9.036 9.864 -11.978 1.00 0.00 C ATOM 1086 O LEU A 64 8.792 8.679 -12.211 1.00 0.00 O ATOM 1087 CB LEU A 64 8.674 11.279 -9.905 1.00 0.00 C ATOM 1088 CG LEU A 64 8.867 10.304 -8.729 1.00 0.00 C ATOM 1089 CD1 LEU A 64 7.578 10.158 -7.933 1.00 0.00 C ATOM 1090 CD2 LEU A 64 9.363 8.946 -9.196 1.00 0.00 C ATOM 0 H LEU A 64 6.926 9.424 -9.991 1.00 0.00 H new ATOM 0 HA LEU A 64 7.766 11.556 -11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.648 11.695 -10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.055 12.107 -9.559 1.00 0.00 H new ATOM 0 HG LEU A 64 9.633 10.727 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.737 9.465 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.282 11.130 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.791 9.774 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.486 8.288 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.639 8.511 -9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.321 9.063 -9.703 1.00 0.00 H new ATOM 1102 N LYS A 65 10.147 10.468 -12.390 1.00 0.00 N ATOM 1103 CA LYS A 65 11.172 9.761 -13.159 1.00 0.00 C ATOM 1104 C LYS A 65 10.573 9.075 -14.390 1.00 0.00 C ATOM 1105 O LYS A 65 10.605 9.625 -15.490 1.00 0.00 O ATOM 1106 CB LYS A 65 11.901 8.740 -12.279 1.00 0.00 C ATOM 1107 CG LYS A 65 13.396 8.994 -12.175 1.00 0.00 C ATOM 1108 CD LYS A 65 13.716 9.972 -11.060 1.00 0.00 C ATOM 1109 CE LYS A 65 13.764 9.278 -9.708 1.00 0.00 C ATOM 1110 NZ LYS A 65 13.698 10.247 -8.580 1.00 0.00 N ATOM 0 H LYS A 65 10.363 11.448 -12.205 1.00 0.00 H new ATOM 0 HA LYS A 65 11.894 10.501 -13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.466 8.756 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.737 7.741 -12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.915 8.052 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.767 9.386 -13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.675 10.451 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.964 10.761 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.934 8.576 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.682 8.696 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.734 9.732 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.504 10.902 -8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.810 10.786 -8.636 1.00 0.00 H new ATOM 1124 N GLY A 66 10.024 7.877 -14.200 1.00 0.00 N ATOM 1125 CA GLY A 66 9.430 7.148 -15.307 1.00 0.00 C ATOM 1126 C GLY A 66 8.048 7.657 -15.669 1.00 0.00 C ATOM 1127 O GLY A 66 7.055 7.264 -15.057 1.00 0.00 O ATOM 0 H GLY A 66 9.980 7.399 -13.300 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.081 7.225 -16.178 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.367 6.091 -15.048 1.00 0.00 H new ATOM 1131 N SER A 67 7.987 8.526 -16.674 1.00 0.00 N ATOM 1132 CA SER A 67 6.721 9.088 -17.132 1.00 0.00 C ATOM 1133 C SER A 67 6.955 10.022 -18.326 1.00 0.00 C ATOM 1134 O SER A 67 7.669 9.661 -19.261 1.00 0.00 O ATOM 1135 CB SER A 67 6.015 9.816 -15.981 1.00 0.00 C ATOM 1136 OG SER A 67 4.608 9.776 -16.141 1.00 0.00 O ATOM 0 H SER A 67 8.803 8.857 -17.188 1.00 0.00 H new ATOM 0 HA SER A 67 6.071 8.278 -17.464 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.290 9.355 -15.032 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.351 10.852 -15.941 1.00 0.00 H new ATOM 0 HG SER A 67 4.180 10.245 -15.394 1.00 0.00 H new ATOM 1142 N ASN A 68 6.357 11.215 -18.308 1.00 0.00 N ATOM 1143 CA ASN A 68 6.531 12.160 -19.403 1.00 0.00 C ATOM 1144 C ASN A 68 6.089 11.544 -20.727 1.00 0.00 C ATOM 1145 O ASN A 68 5.724 10.369 -20.784 1.00 0.00 O ATOM 1146 CB ASN A 68 7.997 12.593 -19.494 1.00 0.00 C ATOM 1147 CG ASN A 68 8.380 13.579 -18.407 1.00 0.00 C ATOM 1148 OD1 ASN A 68 9.285 13.323 -17.612 1.00 0.00 O ATOM 1149 ND2 ASN A 68 7.692 14.714 -18.366 1.00 0.00 N ATOM 0 H ASN A 68 5.755 11.544 -17.553 1.00 0.00 H new ATOM 0 HA ASN A 68 5.909 13.033 -19.204 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.637 11.714 -19.424 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.180 13.044 -20.470 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.906 15.415 -17.656 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.950 14.885 -19.044 1.00 0.00 H new ATOM 1156 N SER A 69 6.131 12.342 -21.789 1.00 0.00 N ATOM 1157 CA SER A 69 5.740 11.872 -23.113 1.00 0.00 C ATOM 1158 C SER A 69 6.140 12.879 -24.187 1.00 0.00 C ATOM 1159 O SER A 69 5.589 12.801 -25.305 1.00 0.00 O ATOM 1160 CB SER A 69 4.233 11.622 -23.169 1.00 0.00 C ATOM 1161 OG SER A 69 3.895 10.784 -24.260 1.00 0.00 O ATOM 1162 OXT SER A 69 7.000 13.739 -23.901 1.00 0.00 O ATOM 0 H SER A 69 6.432 13.316 -21.759 1.00 0.00 H new ATOM 0 HA SER A 69 6.262 10.934 -23.305 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.903 11.162 -22.237 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.707 12.572 -23.260 1.00 0.00 H new ATOM 0 HG SER A 69 4.287 11.144 -25.083 1.00 0.00 H new TER 1168 SER A 69