USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 976 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 109 SER OG : rot 105:sc= 0.481 USER MOD Set 1.2: A 112 GLN : amide:sc= -0.215 K(o=0.26,f=-1.1) USER MOD Set 1.3: A 120 TYR OH : rot 30:sc=-0.00132 USER MOD Set 2.1: A 90 GLN : amide:sc= 0 K(o=-7.3,f=-8.2) USER MOD Set 2.2: A 95 HIS :FLIP no HD1:sc= -7.28! C(o=-8.1!,f=-7.3!) USER MOD Set 3.1: A 78 ASN : amide:sc= 0.00107 K(o=1.2,f=-5.3!) USER MOD Set 3.2: A 80 SER OG : rot 35:sc= 1.22 USER MOD Set 4.1: A 47 LYS NZ :NH3+ -134:sc= 0.368 (180deg=0) USER MOD Set 4.2: A 50 GLN :FLIP amide:sc= -0.008 F(o=-4.6!,f=0.36) USER MOD Single : A 1 CYS N :NH3+ -167:sc= -0.0206 (180deg=-0.219) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS :FLIP no HD1:sc= -1.29 F(o=-2.2,f=-1.3) USER MOD Single : A 9 GLN : amide:sc= -3.51 X(o=-3.5,f=-3.2!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 15 SER OG : rot 140:sc= -3.37! USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -5.62! (180deg=-6.48!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -3.73! USER MOD Single : A 30 ASN :FLIP amide:sc= 0.0688 F(o=-2.2!,f=0.069) USER MOD Single : A 31 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 32 THR OG1 : rot 29:sc= 0.0234 USER MOD Single : A 33 THR OG1 : rot 91:sc= -2.66! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -5.46! C(o=-5.5!,f=-10!) USER MOD Single : A 38 TYR OH : rot 103:sc= 1.18 USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= -0.445 (180deg=-0.751) USER MOD Single : A 42 MET CE :methyl -159:sc= -4.26! (180deg=-5.55!) USER MOD Single : A 43 THR OG1 : rot 160:sc= -3.06! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -146:sc= -0.795 (180deg=-1.18!) USER MOD Single : A 46 TYR OH : rot -147:sc=-0.00585 USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00671 USER MOD Single : A 63 THR OG1 : rot 118:sc= -4.93! USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -130:sc= -0.0265 USER MOD Single : A 74 HIS :FLIP no HE2:sc= -1.48 F(o=-4,f=-1.5) USER MOD Single : A 76 SER OG : rot -140:sc= -0.165 USER MOD Single : A 77 HIS : no HD1:sc= -0.0351 K(o=-0.035,f=-0.69) USER MOD Single : A 88 LYS NZ :NH3+ 140:sc= 0.656 (180deg=0.0409) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -3.81! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 107 SER OG : rot -39:sc= 0.187 USER MOD Single : A 117 THR OG1 : rot 36:sc= -0.156! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= -0.0528 (180deg=-0.0528) USER MOD Single : A 119 THR OG1 : rot -98:sc= -12.4! USER MOD Single : A 121 THR OG1 : rot 180:sc= -2.22! USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -9.061 15.863 2.392 1.00 0.00 N ATOM 2 CA CYS A 1 -8.281 14.628 2.686 1.00 0.00 C ATOM 3 C CYS A 1 -7.065 14.512 1.797 1.00 0.00 C ATOM 4 O CYS A 1 -6.030 13.981 2.201 1.00 0.00 O ATOM 5 CB CYS A 1 -9.184 13.402 2.470 1.00 0.00 C ATOM 6 SG CYS A 1 -8.695 12.275 1.116 1.00 0.00 S ATOM 0 H1 CYS A 1 -9.752 16.026 3.152 1.00 0.00 H new ATOM 0 H2 CYS A 1 -8.415 16.676 2.331 1.00 0.00 H new ATOM 0 H3 CYS A 1 -9.561 15.750 1.487 1.00 0.00 H new ATOM 0 HA CYS A 1 -7.940 14.678 3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -9.216 12.831 3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -10.198 13.752 2.276 1.00 0.00 H new ATOM 13 N THR A 2 -7.214 14.967 0.570 1.00 0.00 N ATOM 14 CA THR A 2 -6.143 14.864 -0.392 1.00 0.00 C ATOM 15 C THR A 2 -4.893 15.590 0.103 1.00 0.00 C ATOM 16 O THR A 2 -4.724 16.784 -0.133 1.00 0.00 O ATOM 17 CB THR A 2 -6.586 15.407 -1.754 1.00 0.00 C ATOM 18 OG1 THR A 2 -5.512 15.389 -2.682 1.00 0.00 O ATOM 19 CG2 THR A 2 -7.123 16.821 -1.685 1.00 0.00 C ATOM 0 H THR A 2 -8.063 15.409 0.219 1.00 0.00 H new ATOM 0 HA THR A 2 -5.894 13.810 -0.511 1.00 0.00 H new ATOM 0 HB THR A 2 -7.390 14.748 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.819 15.739 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.419 17.147 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.988 16.850 -1.022 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.349 17.486 -1.301 1.00 0.00 H new ATOM 27 N CYS A 3 -4.032 14.864 0.810 1.00 0.00 N ATOM 28 CA CYS A 3 -2.810 15.436 1.364 1.00 0.00 C ATOM 29 C CYS A 3 -1.599 15.092 0.502 1.00 0.00 C ATOM 30 O CYS A 3 -1.733 14.482 -0.557 1.00 0.00 O ATOM 31 CB CYS A 3 -2.618 14.916 2.796 1.00 0.00 C ATOM 32 SG CYS A 3 -1.455 13.532 2.990 1.00 0.00 S ATOM 0 H CYS A 3 -4.160 13.873 1.013 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.902 16.522 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.276 15.742 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.589 14.606 3.182 1.00 0.00 H new ATOM 37 N VAL A 4 -0.412 15.471 0.972 1.00 0.00 N ATOM 38 CA VAL A 4 0.815 15.177 0.243 1.00 0.00 C ATOM 39 C VAL A 4 1.613 14.059 0.927 1.00 0.00 C ATOM 40 O VAL A 4 1.384 13.751 2.098 1.00 0.00 O ATOM 41 CB VAL A 4 1.698 16.431 0.078 1.00 0.00 C ATOM 42 CG1 VAL A 4 0.859 17.611 -0.383 1.00 0.00 C ATOM 43 CG2 VAL A 4 2.434 16.757 1.370 1.00 0.00 C ATOM 0 H VAL A 4 -0.276 15.978 1.847 1.00 0.00 H new ATOM 0 HA VAL A 4 0.519 14.838 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 4 2.448 16.223 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.496 18.489 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.394 17.375 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.084 17.817 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.049 17.645 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.711 16.942 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.071 15.917 1.648 1.00 0.00 H new ATOM 53 N PRO A 5 2.554 13.428 0.196 1.00 0.00 N ATOM 54 CA PRO A 5 3.381 12.334 0.720 1.00 0.00 C ATOM 55 C PRO A 5 3.834 12.541 2.166 1.00 0.00 C ATOM 56 O PRO A 5 4.683 13.390 2.445 1.00 0.00 O ATOM 57 CB PRO A 5 4.582 12.345 -0.223 1.00 0.00 C ATOM 58 CG PRO A 5 4.025 12.791 -1.531 1.00 0.00 C ATOM 59 CD PRO A 5 2.879 13.722 -1.215 1.00 0.00 C ATOM 0 HA PRO A 5 2.831 11.394 0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.358 13.024 0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.035 11.357 -0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.786 13.300 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.682 11.939 -2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.164 14.765 -1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.025 13.539 -1.867 1.00 0.00 H new ATOM 67 N PRO A 6 3.288 11.743 3.105 1.00 0.00 N ATOM 68 CA PRO A 6 3.646 11.810 4.517 1.00 0.00 C ATOM 69 C PRO A 6 4.843 10.943 4.817 1.00 0.00 C ATOM 70 O PRO A 6 4.945 9.814 4.337 1.00 0.00 O ATOM 71 CB PRO A 6 2.406 11.256 5.207 1.00 0.00 C ATOM 72 CG PRO A 6 1.844 10.265 4.239 1.00 0.00 C ATOM 73 CD PRO A 6 2.288 10.686 2.856 1.00 0.00 C ATOM 0 HA PRO A 6 3.917 12.815 4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.659 10.783 6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.688 12.046 5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.200 9.260 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.756 10.240 4.302 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.720 9.851 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.452 11.060 2.265 1.00 0.00 H new ATOM 81 N HIS A 7 5.773 11.509 5.579 1.00 0.00 N ATOM 82 CA HIS A 7 7.027 10.866 5.939 1.00 0.00 C ATOM 83 C HIS A 7 6.942 9.348 5.992 1.00 0.00 C ATOM 84 O HIS A 7 6.106 8.774 6.692 1.00 0.00 O ATOM 85 CB HIS A 7 7.492 11.402 7.302 1.00 0.00 C ATOM 86 CG HIS A 7 7.882 12.854 7.285 1.00 0.00 C ATOM 87 ND1 HIS A 7 7.518 13.869 6.460 1.00 0.00 N flip ATOM 88 CD2 HIS A 7 8.747 13.408 8.204 1.00 0.00 C flip ATOM 89 CE1 HIS A 7 8.163 15.000 6.896 1.00 0.00 C flip ATOM 90 NE2 HIS A 7 8.897 14.696 7.948 1.00 0.00 N flip ATOM 0 H HIS A 7 5.672 12.446 5.970 1.00 0.00 H new ATOM 0 HA HIS A 7 7.744 11.107 5.154 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.693 11.259 8.029 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.342 10.811 7.643 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.228 12.872 9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.082 15.980 6.449 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.482 15.345 8.475 1.00 0.00 H new ATOM 99 N PRO A 8 7.848 8.684 5.260 1.00 0.00 N ATOM 100 CA PRO A 8 7.925 7.235 5.224 1.00 0.00 C ATOM 101 C PRO A 8 8.303 6.684 6.567 1.00 0.00 C ATOM 102 O PRO A 8 7.907 5.572 6.899 1.00 0.00 O ATOM 103 CB PRO A 8 9.004 6.942 4.204 1.00 0.00 C ATOM 104 CG PRO A 8 9.849 8.152 4.265 1.00 0.00 C ATOM 105 CD PRO A 8 8.891 9.293 4.442 1.00 0.00 C ATOM 0 HA PRO A 8 6.970 6.777 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.566 6.043 4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.588 6.789 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.554 8.098 5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.436 8.269 3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.356 10.144 4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.504 9.654 3.489 1.00 0.00 H new ATOM 113 N GLN A 9 9.003 7.472 7.397 1.00 0.00 N ATOM 114 CA GLN A 9 9.295 7.010 8.738 1.00 0.00 C ATOM 115 C GLN A 9 7.942 6.684 9.289 1.00 0.00 C ATOM 116 O GLN A 9 7.603 5.541 9.585 1.00 0.00 O ATOM 117 CB GLN A 9 10.012 8.118 9.549 1.00 0.00 C ATOM 118 CG GLN A 9 9.391 8.506 10.899 1.00 0.00 C ATOM 119 CD GLN A 9 9.766 7.564 12.024 1.00 0.00 C ATOM 120 OE1 GLN A 9 8.972 6.713 12.429 1.00 0.00 O ATOM 121 NE2 GLN A 9 10.974 7.724 12.549 1.00 0.00 N ATOM 0 H GLN A 9 9.361 8.398 7.164 1.00 0.00 H new ATOM 0 HA GLN A 9 9.969 6.154 8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.038 7.797 9.728 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.062 9.013 8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.707 9.516 11.160 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.306 8.528 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.599 8.442 12.182 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.278 7.129 13.320 1.00 0.00 H new ATOM 130 N THR A 10 7.167 7.732 9.390 1.00 0.00 N ATOM 131 CA THR A 10 5.843 7.616 9.877 1.00 0.00 C ATOM 132 C THR A 10 5.077 6.568 9.093 1.00 0.00 C ATOM 133 O THR A 10 4.571 5.615 9.689 1.00 0.00 O ATOM 134 CB THR A 10 5.158 8.991 9.837 1.00 0.00 C ATOM 135 OG1 THR A 10 5.576 9.786 10.935 1.00 0.00 O ATOM 136 CG2 THR A 10 3.645 8.944 9.863 1.00 0.00 C ATOM 0 H THR A 10 7.446 8.679 9.135 1.00 0.00 H new ATOM 0 HA THR A 10 5.861 7.282 10.914 1.00 0.00 H new ATOM 0 HB THR A 10 5.461 9.418 8.881 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.132 10.659 10.894 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.249 9.959 9.832 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.283 8.387 8.999 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.312 8.453 10.777 1.00 0.00 H new ATOM 144 N ALA A 11 4.978 6.698 7.769 1.00 0.00 N ATOM 145 CA ALA A 11 4.267 5.728 6.955 1.00 0.00 C ATOM 146 C ALA A 11 4.791 4.309 7.136 1.00 0.00 C ATOM 147 O ALA A 11 4.025 3.402 7.444 1.00 0.00 O ATOM 148 CB ALA A 11 4.351 6.124 5.502 1.00 0.00 C ATOM 0 H ALA A 11 5.385 7.471 7.242 1.00 0.00 H new ATOM 0 HA ALA A 11 3.229 5.729 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.816 5.394 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.901 7.108 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.396 6.157 5.194 1.00 0.00 H new ATOM 154 N PHE A 12 6.092 4.111 6.956 1.00 0.00 N ATOM 155 CA PHE A 12 6.665 2.782 7.122 1.00 0.00 C ATOM 156 C PHE A 12 6.394 2.276 8.521 1.00 0.00 C ATOM 157 O PHE A 12 5.782 1.226 8.712 1.00 0.00 O ATOM 158 CB PHE A 12 8.172 2.751 6.845 1.00 0.00 C ATOM 159 CG PHE A 12 8.648 1.398 6.382 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.192 0.862 5.188 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.537 0.653 7.144 1.00 0.00 C ATOM 162 CE1 PHE A 12 8.614 -0.385 4.761 1.00 0.00 C ATOM 163 CE2 PHE A 12 9.960 -0.594 6.719 1.00 0.00 C ATOM 164 CZ PHE A 12 9.500 -1.112 5.527 1.00 0.00 C ATOM 0 H PHE A 12 6.759 4.839 6.700 1.00 0.00 H new ATOM 0 HA PHE A 12 6.187 2.133 6.388 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.414 3.496 6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.710 3.031 7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.498 1.425 4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.903 1.051 8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.249 -0.788 3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.652 -1.163 7.322 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.833 -2.084 5.194 1.00 0.00 H new ATOM 174 N CYS A 13 6.957 2.989 9.492 1.00 0.00 N ATOM 175 CA CYS A 13 6.898 2.587 10.883 1.00 0.00 C ATOM 176 C CYS A 13 5.519 2.486 11.485 1.00 0.00 C ATOM 177 O CYS A 13 5.225 1.521 12.194 1.00 0.00 O ATOM 178 CB CYS A 13 7.709 3.561 11.740 1.00 0.00 C ATOM 179 SG CYS A 13 9.446 3.087 11.993 1.00 0.00 S ATOM 0 H CYS A 13 7.465 3.859 9.331 1.00 0.00 H new ATOM 0 HA CYS A 13 7.308 1.577 10.884 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.680 4.545 11.273 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.227 3.655 12.713 1.00 0.00 H new ATOM 184 N ASN A 14 4.651 3.451 11.209 1.00 0.00 N ATOM 185 CA ASN A 14 3.314 3.390 11.745 1.00 0.00 C ATOM 186 C ASN A 14 2.490 2.276 11.082 1.00 0.00 C ATOM 187 O ASN A 14 1.709 1.616 11.767 1.00 0.00 O ATOM 188 CB ASN A 14 2.617 4.746 11.567 1.00 0.00 C ATOM 189 CG ASN A 14 1.424 4.916 12.488 1.00 0.00 C ATOM 190 OD1 ASN A 14 0.399 4.255 12.324 1.00 0.00 O ATOM 191 ND2 ASN A 14 1.552 5.809 13.465 1.00 0.00 N ATOM 0 H ASN A 14 4.850 4.266 10.629 1.00 0.00 H new ATOM 0 HA ASN A 14 3.387 3.158 12.808 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.333 5.546 11.756 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.290 4.849 10.532 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.782 5.968 14.115 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.420 6.335 13.564 1.00 0.00 H new ATOM 198 N SER A 15 2.633 2.061 9.760 1.00 0.00 N ATOM 199 CA SER A 15 1.897 1.052 9.038 1.00 0.00 C ATOM 200 C SER A 15 2.352 -0.350 9.342 1.00 0.00 C ATOM 201 O SER A 15 3.527 -0.655 9.530 1.00 0.00 O ATOM 202 CB SER A 15 2.030 1.260 7.548 1.00 0.00 C ATOM 203 OG SER A 15 0.777 1.502 6.944 1.00 0.00 O ATOM 0 H SER A 15 3.273 2.597 9.174 1.00 0.00 H new ATOM 0 HA SER A 15 0.863 1.160 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.696 2.101 7.355 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.489 0.380 7.097 1.00 0.00 H new ATOM 0 HG SER A 15 0.872 2.199 6.262 1.00 0.00 H new ATOM 209 N ASP A 16 1.350 -1.163 9.380 1.00 0.00 N ATOM 210 CA ASP A 16 1.460 -2.587 9.657 1.00 0.00 C ATOM 211 C ASP A 16 1.407 -3.457 8.404 1.00 0.00 C ATOM 212 O ASP A 16 1.361 -4.686 8.496 1.00 0.00 O ATOM 213 CB ASP A 16 0.295 -3.013 10.535 1.00 0.00 C ATOM 214 CG ASP A 16 0.568 -2.884 12.018 1.00 0.00 C ATOM 215 OD1 ASP A 16 1.474 -3.583 12.517 1.00 0.00 O ATOM 216 OD2 ASP A 16 -0.130 -2.092 12.683 1.00 0.00 O ATOM 0 H ASP A 16 0.390 -0.860 9.215 1.00 0.00 H new ATOM 0 HA ASP A 16 2.429 -2.729 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.578 -2.411 10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.043 -4.049 10.310 1.00 0.00 H new ATOM 221 N LEU A 17 1.555 -2.827 7.253 1.00 0.00 N ATOM 222 CA LEU A 17 1.673 -3.571 5.998 1.00 0.00 C ATOM 223 C LEU A 17 2.279 -2.695 4.907 1.00 0.00 C ATOM 224 O LEU A 17 1.698 -1.700 4.501 1.00 0.00 O ATOM 225 CB LEU A 17 0.350 -4.181 5.545 1.00 0.00 C ATOM 226 CG LEU A 17 0.257 -5.697 5.743 1.00 0.00 C ATOM 227 CD1 LEU A 17 -1.128 -6.217 5.382 1.00 0.00 C ATOM 228 CD2 LEU A 17 1.318 -6.404 4.913 1.00 0.00 C ATOM 0 H LEU A 17 1.597 -1.813 7.154 1.00 0.00 H new ATOM 0 HA LEU A 17 2.346 -4.407 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.463 -3.704 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.201 -3.954 4.489 1.00 0.00 H new ATOM 0 HG LEU A 17 0.432 -5.909 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.162 -7.296 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.873 -5.738 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.341 -5.990 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.240 -7.481 5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.168 -6.173 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.307 -6.065 5.222 1.00 0.00 H new ATOM 240 N VAL A 18 3.456 -3.081 4.427 1.00 0.00 N ATOM 241 CA VAL A 18 4.132 -2.339 3.391 1.00 0.00 C ATOM 242 C VAL A 18 4.662 -3.297 2.364 1.00 0.00 C ATOM 243 O VAL A 18 5.380 -4.232 2.718 1.00 0.00 O ATOM 244 CB VAL A 18 5.342 -1.563 3.938 1.00 0.00 C ATOM 245 CG1 VAL A 18 5.827 -0.556 2.912 1.00 0.00 C ATOM 246 CG2 VAL A 18 5.018 -0.892 5.266 1.00 0.00 C ATOM 0 H VAL A 18 3.957 -3.910 4.747 1.00 0.00 H new ATOM 0 HA VAL A 18 3.408 -1.640 2.971 1.00 0.00 H new ATOM 0 HB VAL A 18 6.147 -2.273 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.684 -0.013 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.120 -1.077 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.026 0.147 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.895 -0.352 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.193 -0.193 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.734 -1.649 5.997 1.00 0.00 H new ATOM 256 N ILE A 19 4.250 -3.145 1.114 1.00 0.00 N ATOM 257 CA ILE A 19 4.635 -4.103 0.099 1.00 0.00 C ATOM 258 C ILE A 19 4.617 -3.548 -1.306 1.00 0.00 C ATOM 259 O ILE A 19 3.907 -2.593 -1.621 1.00 0.00 O ATOM 260 CB ILE A 19 3.636 -5.275 0.101 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.226 -4.749 -0.199 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.653 -6.012 1.424 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.494 -5.533 -1.265 1.00 0.00 C ATOM 0 H ILE A 19 3.660 -2.381 0.786 1.00 0.00 H new ATOM 0 HA ILE A 19 5.654 -4.398 0.349 1.00 0.00 H new ATOM 0 HB ILE A 19 3.933 -5.982 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.639 -4.767 0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.296 -3.707 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.937 -6.833 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.652 -6.408 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.383 -5.326 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.506 -5.101 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.058 -5.494 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.390 -6.570 -0.947 1.00 0.00 H new ATOM 275 N ARG A 20 5.358 -4.226 -2.156 1.00 0.00 N ATOM 276 CA ARG A 20 5.405 -3.889 -3.558 1.00 0.00 C ATOM 277 C ARG A 20 4.427 -4.776 -4.316 1.00 0.00 C ATOM 278 O ARG A 20 4.402 -5.998 -4.160 1.00 0.00 O ATOM 279 CB ARG A 20 6.822 -3.981 -4.139 1.00 0.00 C ATOM 280 CG ARG A 20 7.666 -5.130 -3.621 1.00 0.00 C ATOM 281 CD ARG A 20 9.094 -5.004 -4.137 1.00 0.00 C ATOM 282 NE ARG A 20 9.733 -6.295 -4.351 1.00 0.00 N ATOM 283 CZ ARG A 20 10.884 -6.458 -4.994 1.00 0.00 C ATOM 284 NH1 ARG A 20 11.514 -5.414 -5.521 1.00 0.00 N ATOM 285 NH2 ARG A 20 11.405 -7.673 -5.114 1.00 0.00 N ATOM 0 H ARG A 20 5.941 -5.021 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 20 5.109 -2.846 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.747 -4.068 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.343 -3.047 -3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.664 -5.131 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.238 -6.080 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.089 -4.447 -5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.683 -4.426 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 20 9.268 -7.126 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.114 -4.480 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.397 -5.547 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.922 -8.477 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.289 -7.803 -5.607 1.00 0.00 H new ATOM 299 N ALA A 21 3.604 -4.115 -5.102 1.00 0.00 N ATOM 300 CA ALA A 21 2.575 -4.809 -5.866 1.00 0.00 C ATOM 301 C ALA A 21 2.084 -4.028 -7.062 1.00 0.00 C ATOM 302 O ALA A 21 2.262 -2.825 -7.197 1.00 0.00 O ATOM 303 CB ALA A 21 1.420 -5.166 -4.952 1.00 0.00 C ATOM 0 H ALA A 21 3.622 -3.104 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 21 3.030 -5.714 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.651 -5.685 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.776 -5.814 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.001 -4.256 -4.523 1.00 0.00 H new ATOM 309 N LYS A 22 1.361 -4.793 -7.877 1.00 0.00 N ATOM 310 CA LYS A 22 0.676 -4.313 -9.066 1.00 0.00 C ATOM 311 C LYS A 22 -0.833 -4.434 -8.882 1.00 0.00 C ATOM 312 O LYS A 22 -1.303 -5.299 -8.156 1.00 0.00 O ATOM 313 CB LYS A 22 1.098 -5.124 -10.283 1.00 0.00 C ATOM 314 CG LYS A 22 2.212 -4.504 -11.078 1.00 0.00 C ATOM 315 CD LYS A 22 2.583 -5.370 -12.270 1.00 0.00 C ATOM 316 CE LYS A 22 3.659 -6.402 -11.961 1.00 0.00 C ATOM 317 NZ LYS A 22 4.720 -5.882 -11.060 1.00 0.00 N ATOM 0 H LYS A 22 1.234 -5.793 -7.720 1.00 0.00 H new ATOM 0 HA LYS A 22 0.943 -3.268 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.409 -6.116 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.234 -5.259 -10.933 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.910 -3.515 -11.423 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.085 -4.366 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.690 -5.884 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.928 -4.729 -13.081 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.196 -7.275 -11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.113 -6.736 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.513 -6.554 -11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.056 -4.964 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.334 -5.764 -10.101 1.00 0.00 H new ATOM 331 N PHE A 23 -1.587 -3.570 -9.542 1.00 0.00 N ATOM 332 CA PHE A 23 -3.042 -3.618 -9.448 1.00 0.00 C ATOM 333 C PHE A 23 -3.616 -4.416 -10.573 1.00 0.00 C ATOM 334 O PHE A 23 -3.388 -4.133 -11.747 1.00 0.00 O ATOM 335 CB PHE A 23 -3.630 -2.210 -9.435 1.00 0.00 C ATOM 336 CG PHE A 23 -3.820 -1.648 -8.060 1.00 0.00 C ATOM 337 CD1 PHE A 23 -2.746 -1.147 -7.346 1.00 0.00 C ATOM 338 CD2 PHE A 23 -5.074 -1.630 -7.479 1.00 0.00 C ATOM 339 CE1 PHE A 23 -2.920 -0.643 -6.073 1.00 0.00 C ATOM 340 CE2 PHE A 23 -5.255 -1.124 -6.208 1.00 0.00 C ATOM 341 CZ PHE A 23 -4.178 -0.631 -5.503 1.00 0.00 C ATOM 0 H PHE A 23 -1.222 -2.832 -10.144 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.306 -4.107 -8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.975 -1.547 -10.001 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.591 -2.223 -9.948 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.761 -1.150 -7.789 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.922 -2.016 -8.026 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.074 -0.259 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.240 -1.114 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.317 -0.236 -4.507 1.00 0.00 H new ATOM 351 N VAL A 24 -4.315 -5.461 -10.177 1.00 0.00 N ATOM 352 CA VAL A 24 -4.894 -6.376 -11.102 1.00 0.00 C ATOM 353 C VAL A 24 -6.316 -6.791 -10.738 1.00 0.00 C ATOM 354 O VAL A 24 -6.692 -7.961 -10.853 1.00 0.00 O ATOM 355 CB VAL A 24 -4.023 -7.617 -11.209 1.00 0.00 C ATOM 356 CG1 VAL A 24 -2.765 -7.322 -12.007 1.00 0.00 C ATOM 357 CG2 VAL A 24 -3.708 -8.200 -9.842 1.00 0.00 C ATOM 0 H VAL A 24 -4.490 -5.688 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.949 -5.855 -12.058 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.585 -8.379 -11.749 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.155 -8.223 -12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.039 -6.996 -13.011 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.197 -6.534 -11.512 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.084 -9.086 -9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.178 -7.459 -9.244 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.636 -8.474 -9.341 1.00 0.00 H new ATOM 367 N GLY A 25 -7.107 -5.808 -10.318 1.00 0.00 N ATOM 368 CA GLY A 25 -8.498 -6.015 -9.963 1.00 0.00 C ATOM 369 C GLY A 25 -9.187 -4.683 -9.741 1.00 0.00 C ATOM 370 O GLY A 25 -8.525 -3.647 -9.646 1.00 0.00 O ATOM 0 H GLY A 25 -6.795 -4.842 -10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.004 -6.567 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.564 -6.621 -9.060 1.00 0.00 H new ATOM 374 N THR A 26 -10.511 -4.697 -9.699 1.00 0.00 N ATOM 375 CA THR A 26 -11.293 -3.472 -9.524 1.00 0.00 C ATOM 376 C THR A 26 -11.777 -3.303 -8.080 1.00 0.00 C ATOM 377 O THR A 26 -11.874 -4.273 -7.329 1.00 0.00 O ATOM 378 CB THR A 26 -12.481 -3.504 -10.481 1.00 0.00 C ATOM 379 OG1 THR A 26 -13.158 -2.262 -10.499 1.00 0.00 O ATOM 380 CG2 THR A 26 -13.488 -4.577 -10.131 1.00 0.00 C ATOM 0 H THR A 26 -11.072 -5.544 -9.784 1.00 0.00 H new ATOM 0 HA THR A 26 -10.653 -2.618 -9.747 1.00 0.00 H new ATOM 0 HB THR A 26 -12.057 -3.724 -11.461 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.913 -2.310 -11.121 1.00 0.00 H new ATOM 0 HG21 THR A 26 -14.310 -4.552 -10.846 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.006 -5.554 -10.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.875 -4.400 -9.127 1.00 0.00 H new ATOM 388 N PRO A 27 -12.051 -2.048 -7.667 1.00 0.00 N ATOM 389 CA PRO A 27 -12.481 -1.727 -6.299 1.00 0.00 C ATOM 390 C PRO A 27 -13.969 -1.956 -5.989 1.00 0.00 C ATOM 391 O PRO A 27 -14.859 -1.434 -6.660 1.00 0.00 O ATOM 392 CB PRO A 27 -12.135 -0.252 -6.185 1.00 0.00 C ATOM 393 CG PRO A 27 -12.320 0.280 -7.561 1.00 0.00 C ATOM 394 CD PRO A 27 -11.904 -0.828 -8.491 1.00 0.00 C ATOM 0 HA PRO A 27 -11.991 -2.387 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.786 0.255 -5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.111 -0.110 -5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.358 0.565 -7.733 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.714 1.172 -7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.536 -0.865 -9.378 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.878 -0.698 -8.836 1.00 0.00 H new ATOM 402 N GLU A 28 -14.192 -2.733 -4.931 1.00 0.00 N ATOM 403 CA GLU A 28 -15.560 -3.031 -4.486 1.00 0.00 C ATOM 404 C GLU A 28 -16.026 -2.001 -3.449 1.00 0.00 C ATOM 405 O GLU A 28 -15.494 -1.938 -2.342 1.00 0.00 O ATOM 406 CB GLU A 28 -15.635 -4.440 -3.903 1.00 0.00 C ATOM 407 CG GLU A 28 -16.515 -5.370 -4.716 1.00 0.00 C ATOM 408 CD GLU A 28 -17.232 -6.395 -3.862 1.00 0.00 C ATOM 409 OE1 GLU A 28 -18.091 -5.992 -3.050 1.00 0.00 O ATOM 410 OE2 GLU A 28 -16.937 -7.599 -4.008 1.00 0.00 O ATOM 0 H GLU A 28 -13.457 -3.164 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.222 -2.975 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.630 -4.858 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -16.017 -4.386 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.251 -4.781 -5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.904 -5.885 -5.458 1.00 0.00 H new ATOM 417 N VAL A 29 -16.987 -1.151 -3.838 1.00 0.00 N ATOM 418 CA VAL A 29 -17.454 -0.087 -2.940 1.00 0.00 C ATOM 419 C VAL A 29 -18.828 -0.307 -2.299 1.00 0.00 C ATOM 420 O VAL A 29 -19.840 0.005 -2.924 1.00 0.00 O ATOM 421 CB VAL A 29 -17.516 1.265 -3.679 1.00 0.00 C ATOM 422 CG1 VAL A 29 -17.591 2.422 -2.694 1.00 0.00 C ATOM 423 CG2 VAL A 29 -16.332 1.423 -4.625 1.00 0.00 C ATOM 0 H VAL A 29 -17.447 -1.177 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.716 -0.097 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.426 1.280 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.634 3.364 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.485 2.319 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.708 2.414 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.399 2.384 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.403 1.377 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.346 0.620 -5.362 1.00 0.00 H new ATOM 433 N ASN A 30 -18.896 -0.817 -1.068 1.00 0.00 N ATOM 434 CA ASN A 30 -20.206 -1.004 -0.445 1.00 0.00 C ATOM 435 C ASN A 30 -20.782 0.384 -0.158 1.00 0.00 C ATOM 436 O ASN A 30 -20.056 1.356 0.055 1.00 0.00 O ATOM 437 CB ASN A 30 -20.128 -1.850 0.822 1.00 0.00 C ATOM 438 CG ASN A 30 -21.398 -2.660 1.035 1.00 0.00 C ATOM 439 OD1 ASN A 30 -22.240 -2.229 1.965 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -21.613 -3.672 0.368 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.095 -1.098 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 30 -20.859 -1.554 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.273 -2.523 0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.960 -1.202 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.940 -3.970 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.464 -4.213 0.521 1.00 0.00 H new ATOM 447 N GLN A 31 -22.104 0.416 -0.114 1.00 0.00 N ATOM 448 CA GLN A 31 -22.840 1.638 0.207 1.00 0.00 C ATOM 449 C GLN A 31 -22.864 1.835 1.711 1.00 0.00 C ATOM 450 O GLN A 31 -23.399 2.834 2.195 1.00 0.00 O ATOM 451 CB GLN A 31 -24.249 1.560 -0.346 1.00 0.00 C ATOM 452 CG GLN A 31 -24.289 1.256 -1.827 1.00 0.00 C ATOM 453 CD GLN A 31 -24.010 2.480 -2.674 1.00 0.00 C ATOM 454 OE1 GLN A 31 -24.927 3.106 -3.204 1.00 0.00 O ATOM 455 NE2 GLN A 31 -22.735 2.829 -2.800 1.00 0.00 N ATOM 0 H GLN A 31 -22.697 -0.394 -0.297 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.342 2.492 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.802 0.790 0.192 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.758 2.506 -0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.555 0.483 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.268 0.853 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.008 2.279 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.483 3.647 -3.355 1.00 0.00 H new ATOM 464 N THR A 32 -22.424 0.841 2.454 1.00 0.00 N ATOM 465 CA THR A 32 -22.549 0.857 3.895 1.00 0.00 C ATOM 466 C THR A 32 -21.327 0.220 4.522 1.00 0.00 C ATOM 467 O THR A 32 -21.397 -0.522 5.498 1.00 0.00 O ATOM 468 CB THR A 32 -23.866 0.108 4.233 1.00 0.00 C ATOM 469 OG1 THR A 32 -24.948 1.022 4.319 1.00 0.00 O ATOM 470 CG2 THR A 32 -23.872 -0.710 5.512 1.00 0.00 C ATOM 0 H THR A 32 -21.973 0.006 2.079 1.00 0.00 H new ATOM 0 HA THR A 32 -22.599 1.869 4.298 1.00 0.00 H new ATOM 0 HB THR A 32 -23.965 -0.599 3.409 1.00 0.00 H new ATOM 0 HG1 THR A 32 -24.772 1.793 3.740 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.846 -1.184 5.636 1.00 0.00 H new ATOM 0 HG22 THR A 32 -23.100 -1.477 5.457 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.675 -0.057 6.362 1.00 0.00 H new ATOM 478 N THR A 33 -20.188 0.541 3.965 1.00 0.00 N ATOM 479 CA THR A 33 -18.944 0.033 4.471 1.00 0.00 C ATOM 480 C THR A 33 -18.218 1.132 5.112 1.00 0.00 C ATOM 481 O THR A 33 -17.621 0.952 6.172 1.00 0.00 O ATOM 482 CB THR A 33 -18.022 -0.464 3.361 1.00 0.00 C ATOM 483 OG1 THR A 33 -16.660 -0.259 3.700 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.262 0.195 2.013 1.00 0.00 C ATOM 0 H THR A 33 -20.099 1.156 3.156 1.00 0.00 H new ATOM 0 HA THR A 33 -19.190 -0.786 5.147 1.00 0.00 H new ATOM 0 HB THR A 33 -18.255 -1.525 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.315 -1.052 4.161 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.567 -0.213 1.279 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.285 0.001 1.690 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.107 1.270 2.101 1.00 0.00 H new ATOM 492 N LEU A 34 -18.093 2.210 4.345 1.00 0.00 N ATOM 493 CA LEU A 34 -17.211 3.290 4.723 1.00 0.00 C ATOM 494 C LEU A 34 -15.836 3.059 4.131 1.00 0.00 C ATOM 495 O LEU A 34 -14.989 3.941 4.194 1.00 0.00 O ATOM 496 CB LEU A 34 -17.058 3.460 6.221 1.00 0.00 C ATOM 497 CG LEU A 34 -17.942 4.534 6.838 1.00 0.00 C ATOM 498 CD1 LEU A 34 -17.834 4.537 8.353 1.00 0.00 C ATOM 499 CD2 LEU A 34 -17.555 5.896 6.266 1.00 0.00 C ATOM 0 H LEU A 34 -18.590 2.352 3.466 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.671 4.199 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.277 2.508 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.017 3.697 6.441 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.981 4.318 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.478 5.316 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.145 3.567 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.801 4.730 8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.186 6.668 6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.511 6.105 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.691 5.888 5.185 1.00 0.00 H new ATOM 511 N TYR A 35 -15.644 1.866 3.561 1.00 0.00 N ATOM 512 CA TYR A 35 -14.388 1.460 2.909 1.00 0.00 C ATOM 513 C TYR A 35 -14.636 0.593 1.696 1.00 0.00 C ATOM 514 O TYR A 35 -15.744 0.130 1.443 1.00 0.00 O ATOM 515 CB TYR A 35 -13.425 0.762 3.858 1.00 0.00 C ATOM 516 CG TYR A 35 -14.084 -0.052 4.907 1.00 0.00 C ATOM 517 CD1 TYR A 35 -14.635 0.572 6.001 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.142 -1.428 4.819 1.00 0.00 C ATOM 519 CE1 TYR A 35 -15.237 -0.144 6.993 1.00 0.00 C ATOM 520 CE2 TYR A 35 -14.744 -2.168 5.811 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.293 -1.522 6.901 1.00 0.00 C ATOM 522 OH TYR A 35 -15.895 -2.251 7.899 1.00 0.00 O ATOM 0 H TYR A 35 -16.363 1.143 3.537 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.917 2.388 2.585 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -12.764 0.119 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -12.798 1.513 4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -14.590 1.648 6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.711 -1.928 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -15.667 0.362 7.845 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -14.787 -3.245 5.738 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.850 -3.205 7.680 1.00 0.00 H new ATOM 532 N GLN A 36 -13.586 0.416 0.926 1.00 0.00 N ATOM 533 CA GLN A 36 -13.643 -0.347 -0.292 1.00 0.00 C ATOM 534 C GLN A 36 -12.497 -1.326 -0.341 1.00 0.00 C ATOM 535 O GLN A 36 -11.671 -1.372 0.569 1.00 0.00 O ATOM 536 CB GLN A 36 -13.526 0.614 -1.462 1.00 0.00 C ATOM 537 CG GLN A 36 -14.678 1.582 -1.572 1.00 0.00 C ATOM 538 CD GLN A 36 -14.254 2.945 -2.086 1.00 0.00 C ATOM 539 OE1 GLN A 36 -14.205 3.913 -1.331 1.00 0.00 O ATOM 540 NE2 GLN A 36 -13.947 3.031 -3.375 1.00 0.00 N ATOM 0 H GLN A 36 -12.664 0.802 1.132 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.582 -0.898 -0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.598 1.178 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.456 0.040 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.433 1.166 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.145 1.697 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.001 2.203 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.658 3.925 -3.772 1.00 0.00 H new ATOM 549 N ARG A 37 -12.420 -2.074 -1.418 1.00 0.00 N ATOM 550 CA ARG A 37 -11.336 -3.007 -1.578 1.00 0.00 C ATOM 551 C ARG A 37 -10.888 -3.051 -3.031 1.00 0.00 C ATOM 552 O ARG A 37 -11.682 -2.885 -3.951 1.00 0.00 O ATOM 553 CB ARG A 37 -11.696 -4.389 -1.018 1.00 0.00 C ATOM 554 CG ARG A 37 -12.332 -5.347 -2.004 1.00 0.00 C ATOM 555 CD ARG A 37 -12.319 -6.765 -1.458 1.00 0.00 C ATOM 556 NE ARG A 37 -13.613 -7.149 -0.901 1.00 0.00 N ATOM 557 CZ ARG A 37 -14.623 -7.614 -1.631 1.00 0.00 C ATOM 558 NH1 ARG A 37 -14.494 -7.740 -2.946 1.00 0.00 N ATOM 559 NH2 ARG A 37 -15.762 -7.953 -1.047 1.00 0.00 N ATOM 0 H ARG A 37 -13.089 -2.053 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.485 -2.662 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.790 -4.849 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.377 -4.255 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.358 -5.040 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.795 -5.312 -2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.047 -7.458 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.553 -6.850 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.750 -7.055 0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.618 -7.480 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.271 -8.097 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.865 -7.858 -0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.536 -8.309 -1.607 1.00 0.00 H new ATOM 573 N TYR A 38 -9.606 -3.295 -3.197 1.00 0.00 N ATOM 574 CA TYR A 38 -8.972 -3.391 -4.511 1.00 0.00 C ATOM 575 C TYR A 38 -8.144 -4.665 -4.571 1.00 0.00 C ATOM 576 O TYR A 38 -7.643 -5.115 -3.543 1.00 0.00 O ATOM 577 CB TYR A 38 -8.012 -2.211 -4.783 1.00 0.00 C ATOM 578 CG TYR A 38 -8.632 -0.842 -5.058 1.00 0.00 C ATOM 579 CD1 TYR A 38 -9.401 -0.182 -4.101 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.407 -0.185 -6.273 1.00 0.00 C ATOM 581 CE1 TYR A 38 -9.929 1.077 -4.350 1.00 0.00 C ATOM 582 CE2 TYR A 38 -8.934 1.066 -6.524 1.00 0.00 C ATOM 583 CZ TYR A 38 -9.693 1.693 -5.562 1.00 0.00 C ATOM 584 OH TYR A 38 -10.220 2.940 -5.816 1.00 0.00 O ATOM 0 H TYR A 38 -8.960 -3.435 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.769 -3.382 -5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.349 -2.113 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.389 -2.475 -5.638 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.589 -0.658 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.808 -0.667 -7.031 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.523 1.573 -3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.751 1.551 -7.472 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.515 3.616 -5.733 1.00 0.00 H new ATOM 594 N GLU A 39 -7.971 -5.246 -5.757 1.00 0.00 N ATOM 595 CA GLU A 39 -7.179 -6.453 -5.927 1.00 0.00 C ATOM 596 C GLU A 39 -5.852 -6.050 -6.518 1.00 0.00 C ATOM 597 O GLU A 39 -5.804 -5.118 -7.323 1.00 0.00 O ATOM 598 CB GLU A 39 -7.895 -7.425 -6.859 1.00 0.00 C ATOM 599 CG GLU A 39 -7.328 -8.832 -6.863 1.00 0.00 C ATOM 600 CD GLU A 39 -8.207 -9.789 -7.641 1.00 0.00 C ATOM 601 OE1 GLU A 39 -8.423 -9.545 -8.848 1.00 0.00 O ATOM 602 OE2 GLU A 39 -8.689 -10.772 -7.045 1.00 0.00 O ATOM 0 H GLU A 39 -8.377 -4.891 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.034 -6.951 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.946 -7.472 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.857 -7.029 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.329 -8.820 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.225 -9.185 -5.837 1.00 0.00 H new ATOM 609 N ILE A 40 -4.771 -6.697 -6.124 1.00 0.00 N ATOM 610 CA ILE A 40 -3.488 -6.290 -6.655 1.00 0.00 C ATOM 611 C ILE A 40 -2.480 -7.410 -6.806 1.00 0.00 C ATOM 612 O ILE A 40 -2.332 -8.271 -5.936 1.00 0.00 O ATOM 613 CB ILE A 40 -2.827 -5.247 -5.735 1.00 0.00 C ATOM 614 CG1 ILE A 40 -2.986 -5.653 -4.265 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.391 -3.853 -5.986 1.00 0.00 C ATOM 616 CD1 ILE A 40 -4.376 -5.428 -3.719 1.00 0.00 C ATOM 0 H ILE A 40 -4.753 -7.475 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.726 -5.897 -7.644 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.762 -5.214 -5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.730 -6.707 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.273 -5.090 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.905 -3.139 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.208 -3.568 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.464 -3.855 -5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.411 -5.738 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.629 -4.370 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.093 -6.013 -4.296 1.00 0.00 H new ATOM 628 N LYS A 41 -1.792 -7.373 -7.933 1.00 0.00 N ATOM 629 CA LYS A 41 -0.795 -8.366 -8.235 1.00 0.00 C ATOM 630 C LYS A 41 0.409 -8.102 -7.353 1.00 0.00 C ATOM 631 O LYS A 41 1.366 -7.437 -7.749 1.00 0.00 O ATOM 632 CB LYS A 41 -0.377 -8.270 -9.701 1.00 0.00 C ATOM 633 CG LYS A 41 -0.595 -9.561 -10.475 1.00 0.00 C ATOM 634 CD LYS A 41 0.163 -10.735 -9.862 1.00 0.00 C ATOM 635 CE LYS A 41 1.538 -10.925 -10.493 1.00 0.00 C ATOM 636 NZ LYS A 41 2.393 -9.709 -10.394 1.00 0.00 N ATOM 0 H LYS A 41 -1.911 -6.660 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.198 -9.362 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.939 -7.468 -10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.677 -7.996 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.660 -9.792 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.274 -9.422 -11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.276 -10.572 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.421 -11.647 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.043 -11.759 -10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.417 -11.194 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.378 -9.958 -10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.056 -8.992 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.343 -9.327 -9.428 1.00 0.00 H new ATOM 650 N MET A 42 0.328 -8.614 -6.131 1.00 0.00 N ATOM 651 CA MET A 42 1.382 -8.430 -5.155 1.00 0.00 C ATOM 652 C MET A 42 2.693 -8.975 -5.662 1.00 0.00 C ATOM 653 O MET A 42 2.775 -10.131 -6.085 1.00 0.00 O ATOM 654 CB MET A 42 0.995 -9.097 -3.841 1.00 0.00 C ATOM 655 CG MET A 42 2.024 -8.913 -2.742 1.00 0.00 C ATOM 656 SD MET A 42 3.255 -10.226 -2.724 1.00 0.00 S ATOM 657 CE MET A 42 2.198 -11.668 -2.659 1.00 0.00 C ATOM 0 H MET A 42 -0.464 -9.162 -5.796 1.00 0.00 H new ATOM 0 HA MET A 42 1.511 -7.361 -4.984 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.040 -8.693 -3.505 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.847 -10.163 -4.014 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.523 -7.953 -2.873 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.518 -8.880 -1.777 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.764 -12.517 -2.274 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.351 -11.469 -2.002 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.834 -11.898 -3.660 1.00 0.00 H new ATOM 667 N THR A 43 3.729 -8.148 -5.621 1.00 0.00 N ATOM 668 CA THR A 43 5.023 -8.577 -6.080 1.00 0.00 C ATOM 669 C THR A 43 5.807 -9.189 -4.928 1.00 0.00 C ATOM 670 O THR A 43 6.064 -10.393 -4.925 1.00 0.00 O ATOM 671 CB THR A 43 5.808 -7.435 -6.737 1.00 0.00 C ATOM 672 OG1 THR A 43 6.292 -6.516 -5.778 1.00 0.00 O ATOM 673 CG2 THR A 43 4.997 -6.666 -7.757 1.00 0.00 C ATOM 0 H THR A 43 3.690 -7.189 -5.277 1.00 0.00 H new ATOM 0 HA THR A 43 4.872 -9.336 -6.847 1.00 0.00 H new ATOM 0 HB THR A 43 6.639 -7.922 -7.247 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.031 -6.001 -6.163 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.609 -5.872 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.673 -7.342 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.123 -6.229 -7.273 1.00 0.00 H new ATOM 681 N LYS A 44 6.138 -8.380 -3.916 1.00 0.00 N ATOM 682 CA LYS A 44 6.835 -8.844 -2.725 1.00 0.00 C ATOM 683 C LYS A 44 6.468 -7.939 -1.553 1.00 0.00 C ATOM 684 O LYS A 44 6.235 -6.742 -1.733 1.00 0.00 O ATOM 685 CB LYS A 44 8.346 -8.834 -2.912 1.00 0.00 C ATOM 686 CG LYS A 44 8.825 -9.686 -4.070 1.00 0.00 C ATOM 687 CD LYS A 44 10.021 -10.533 -3.674 1.00 0.00 C ATOM 688 CE LYS A 44 9.622 -11.986 -3.477 1.00 0.00 C ATOM 689 NZ LYS A 44 10.703 -12.786 -2.838 1.00 0.00 N ATOM 0 H LYS A 44 5.927 -7.382 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 44 6.529 -9.872 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.677 -7.807 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.819 -9.185 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.015 -10.332 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.093 -9.045 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.789 -10.465 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.457 -10.144 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.724 -12.034 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.370 -12.425 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.386 -13.770 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.552 -12.764 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.927 -12.384 -1.905 1.00 0.00 H new ATOM 703 N MET A 45 6.413 -8.510 -0.362 1.00 0.00 N ATOM 704 CA MET A 45 6.064 -7.750 0.835 1.00 0.00 C ATOM 705 C MET A 45 7.319 -7.220 1.523 1.00 0.00 C ATOM 706 O MET A 45 8.329 -7.921 1.582 1.00 0.00 O ATOM 707 CB MET A 45 5.247 -8.629 1.793 1.00 0.00 C ATOM 708 CG MET A 45 5.947 -9.915 2.227 1.00 0.00 C ATOM 709 SD MET A 45 5.724 -11.277 1.063 1.00 0.00 S ATOM 710 CE MET A 45 7.422 -11.573 0.569 1.00 0.00 C ATOM 0 H MET A 45 6.605 -9.498 -0.194 1.00 0.00 H new ATOM 0 HA MET A 45 5.456 -6.894 0.542 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.003 -8.046 2.681 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.304 -8.888 1.312 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.013 -9.718 2.346 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.568 -10.215 3.204 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.448 -11.884 -0.476 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.001 -10.657 0.690 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.850 -12.358 1.192 1.00 0.00 H new ATOM 720 N TYR A 46 7.285 -5.978 2.037 1.00 0.00 N ATOM 721 CA TYR A 46 8.423 -5.361 2.709 1.00 0.00 C ATOM 722 C TYR A 46 8.084 -4.981 4.144 1.00 0.00 C ATOM 723 O TYR A 46 8.796 -4.181 4.747 1.00 0.00 O ATOM 724 CB TYR A 46 8.833 -4.074 1.992 1.00 0.00 C ATOM 725 CG TYR A 46 9.662 -4.264 0.739 1.00 0.00 C ATOM 726 CD1 TYR A 46 10.581 -5.301 0.626 1.00 0.00 C ATOM 727 CD2 TYR A 46 9.533 -3.383 -0.328 1.00 0.00 C ATOM 728 CE1 TYR A 46 11.345 -5.453 -0.516 1.00 0.00 C ATOM 729 CE2 TYR A 46 10.291 -3.531 -1.471 1.00 0.00 C ATOM 730 CZ TYR A 46 11.197 -4.568 -1.561 1.00 0.00 C ATOM 731 OH TYR A 46 11.960 -4.716 -2.701 1.00 0.00 O ATOM 0 H TYR A 46 6.461 -5.379 1.994 1.00 0.00 H new ATOM 0 HA TYR A 46 9.229 -6.094 2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.931 -3.521 1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.396 -3.453 2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.700 -5.998 1.442 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.827 -2.568 -0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.056 -6.263 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.176 -2.838 -2.292 1.00 0.00 H new ATOM 0 HH TYR A 46 12.157 -3.834 -3.079 1.00 0.00 H new ATOM 741 N LYS A 47 7.018 -5.543 4.705 1.00 0.00 N ATOM 742 CA LYS A 47 6.601 -5.263 6.071 1.00 0.00 C ATOM 743 C LYS A 47 5.264 -5.931 6.359 1.00 0.00 C ATOM 744 O LYS A 47 4.246 -5.563 5.777 1.00 0.00 O ATOM 745 CB LYS A 47 6.489 -3.761 6.324 1.00 0.00 C ATOM 746 CG LYS A 47 6.925 -3.365 7.722 1.00 0.00 C ATOM 747 CD LYS A 47 6.012 -3.960 8.782 1.00 0.00 C ATOM 748 CE LYS A 47 5.574 -2.902 9.778 1.00 0.00 C ATOM 749 NZ LYS A 47 5.039 -3.495 11.031 1.00 0.00 N ATOM 0 H LYS A 47 6.417 -6.209 4.220 1.00 0.00 H new ATOM 0 HA LYS A 47 7.362 -5.666 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.098 -3.228 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.457 -3.447 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.948 -3.699 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.926 -2.279 7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.136 -4.402 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.531 -4.764 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.420 -2.258 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.811 -2.271 9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.154 -3.015 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.853 -4.508 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.735 -3.378 11.795 1.00 0.00 H new ATOM 763 N GLY A 48 5.267 -6.916 7.239 1.00 0.00 N ATOM 764 CA GLY A 48 4.058 -7.644 7.585 1.00 0.00 C ATOM 765 C GLY A 48 4.345 -9.073 8.012 1.00 0.00 C ATOM 766 O GLY A 48 3.425 -9.816 8.356 1.00 0.00 O ATOM 0 H GLY A 48 6.102 -7.233 7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.542 -7.123 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.384 -7.652 6.728 1.00 0.00 H new ATOM 770 N PHE A 49 5.622 -9.463 7.994 1.00 0.00 N ATOM 771 CA PHE A 49 6.022 -10.803 8.385 1.00 0.00 C ATOM 772 C PHE A 49 5.321 -11.231 9.671 1.00 0.00 C ATOM 773 O PHE A 49 4.690 -12.281 9.702 1.00 0.00 O ATOM 774 CB PHE A 49 7.535 -10.879 8.553 1.00 0.00 C ATOM 775 CG PHE A 49 8.305 -10.221 7.436 1.00 0.00 C ATOM 776 CD1 PHE A 49 8.224 -10.703 6.137 1.00 0.00 C ATOM 777 CD2 PHE A 49 9.112 -9.122 7.687 1.00 0.00 C ATOM 778 CE1 PHE A 49 8.933 -10.101 5.114 1.00 0.00 C ATOM 779 CE2 PHE A 49 9.822 -8.516 6.667 1.00 0.00 C ATOM 780 CZ PHE A 49 9.734 -9.007 5.379 1.00 0.00 C ATOM 0 H PHE A 49 6.395 -8.861 7.710 1.00 0.00 H new ATOM 0 HA PHE A 49 5.723 -11.489 7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.810 -10.409 9.497 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.832 -11.926 8.619 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.600 -11.558 5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.187 -8.734 8.692 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.861 -10.486 4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.445 -7.659 6.877 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.290 -8.537 4.581 1.00 0.00 H new ATOM 790 N GLN A 50 5.416 -10.438 10.742 1.00 0.00 N ATOM 791 CA GLN A 50 4.760 -10.802 11.995 1.00 0.00 C ATOM 792 C GLN A 50 3.296 -11.135 11.735 1.00 0.00 C ATOM 793 O GLN A 50 2.731 -12.032 12.361 1.00 0.00 O ATOM 794 CB GLN A 50 4.900 -9.688 13.034 1.00 0.00 C ATOM 795 CG GLN A 50 4.046 -8.463 12.764 1.00 0.00 C ATOM 796 CD GLN A 50 4.882 -7.210 12.678 1.00 0.00 C ATOM 797 OE1 GLN A 50 4.575 -6.361 11.716 1.00 0.00 O flip ATOM 798 NE2 GLN A 50 5.803 -7.013 13.469 1.00 0.00 N flip ATOM 0 H GLN A 50 5.931 -9.558 10.766 1.00 0.00 H new ATOM 0 HA GLN A 50 5.250 -11.687 12.402 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.639 -10.088 14.014 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.945 -9.383 13.082 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.498 -8.600 11.832 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.306 -8.353 13.556 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.005 -7.698 14.198 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.365 -6.165 13.396 1.00 0.00 H new ATOM 807 N ALA A 51 2.703 -10.437 10.769 1.00 0.00 N ATOM 808 CA ALA A 51 1.324 -10.702 10.394 1.00 0.00 C ATOM 809 C ALA A 51 1.282 -11.998 9.594 1.00 0.00 C ATOM 810 O ALA A 51 0.427 -12.853 9.824 1.00 0.00 O ATOM 811 CB ALA A 51 0.752 -9.548 9.584 1.00 0.00 C ATOM 0 H ALA A 51 3.154 -9.691 10.239 1.00 0.00 H new ATOM 0 HA ALA A 51 0.712 -10.803 11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.281 -9.769 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.785 -8.635 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.342 -9.412 8.678 1.00 0.00 H new ATOM 817 N LEU A 52 2.199 -12.131 8.646 1.00 0.00 N ATOM 818 CA LEU A 52 2.266 -13.308 7.800 1.00 0.00 C ATOM 819 C LEU A 52 3.720 -13.739 7.653 1.00 0.00 C ATOM 820 O LEU A 52 4.332 -14.217 8.610 1.00 0.00 O ATOM 821 CB LEU A 52 1.643 -12.978 6.440 1.00 0.00 C ATOM 822 CG LEU A 52 2.055 -11.606 5.882 1.00 0.00 C ATOM 823 CD1 LEU A 52 2.663 -11.738 4.491 1.00 0.00 C ATOM 824 CD2 LEU A 52 0.875 -10.645 5.869 1.00 0.00 C ATOM 0 H LEU A 52 2.912 -11.430 8.445 1.00 0.00 H new ATOM 0 HA LEU A 52 1.710 -14.133 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.926 -13.750 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.557 -13.011 6.531 1.00 0.00 H new ATOM 0 HG LEU A 52 2.818 -11.195 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.945 -10.752 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.547 -12.374 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.933 -12.183 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.194 -9.682 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.081 -11.052 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.503 -10.511 6.885 1.00 0.00 H new ATOM 836 N GLY A 53 4.289 -13.550 6.470 1.00 0.00 N ATOM 837 CA GLY A 53 5.670 -13.896 6.266 1.00 0.00 C ATOM 838 C GLY A 53 5.878 -15.037 5.321 1.00 0.00 C ATOM 839 O GLY A 53 7.001 -15.500 5.116 1.00 0.00 O ATOM 0 H GLY A 53 3.815 -13.164 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.201 -13.023 5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.117 -14.148 7.228 1.00 0.00 H new ATOM 843 N ASP A 54 4.785 -15.470 4.716 1.00 0.00 N ATOM 844 CA ASP A 54 4.839 -16.535 3.759 1.00 0.00 C ATOM 845 C ASP A 54 5.309 -15.951 2.450 1.00 0.00 C ATOM 846 O ASP A 54 6.503 -15.732 2.246 1.00 0.00 O ATOM 847 CB ASP A 54 3.465 -17.218 3.646 1.00 0.00 C ATOM 848 CG ASP A 54 3.477 -18.389 2.685 1.00 0.00 C ATOM 849 OD1 ASP A 54 3.354 -18.159 1.464 1.00 0.00 O ATOM 850 OD2 ASP A 54 3.609 -19.538 3.155 1.00 0.00 O ATOM 0 H ASP A 54 3.852 -15.092 4.879 1.00 0.00 H new ATOM 0 HA ASP A 54 5.539 -17.311 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.153 -17.564 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.726 -16.488 3.315 1.00 0.00 H new ATOM 855 N ALA A 55 4.372 -15.654 1.596 1.00 0.00 N ATOM 856 CA ALA A 55 4.670 -15.049 0.329 1.00 0.00 C ATOM 857 C ALA A 55 3.531 -14.149 -0.085 1.00 0.00 C ATOM 858 O ALA A 55 3.727 -13.004 -0.487 1.00 0.00 O ATOM 859 CB ALA A 55 4.901 -16.113 -0.735 1.00 0.00 C ATOM 0 H ALA A 55 3.379 -15.824 1.758 1.00 0.00 H new ATOM 0 HA ALA A 55 5.581 -14.460 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.125 -15.633 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.739 -16.745 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.004 -16.724 -0.839 1.00 0.00 H new ATOM 865 N ALA A 56 2.333 -14.723 -0.019 1.00 0.00 N ATOM 866 CA ALA A 56 1.114 -14.022 -0.437 1.00 0.00 C ATOM 867 C ALA A 56 0.062 -13.848 0.652 1.00 0.00 C ATOM 868 O ALA A 56 -0.960 -14.535 0.630 1.00 0.00 O ATOM 869 CB ALA A 56 0.491 -14.725 -1.633 1.00 0.00 C ATOM 0 H ALA A 56 2.176 -15.672 0.320 1.00 0.00 H new ATOM 0 HA ALA A 56 1.442 -13.015 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.413 -14.197 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.200 -14.733 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.239 -15.750 -1.362 1.00 0.00 H new ATOM 875 N ASP A 57 0.269 -12.919 1.566 1.00 0.00 N ATOM 876 CA ASP A 57 -0.732 -12.670 2.604 1.00 0.00 C ATOM 877 C ASP A 57 -1.278 -11.240 2.509 1.00 0.00 C ATOM 878 O ASP A 57 -1.800 -10.702 3.487 1.00 0.00 O ATOM 879 CB ASP A 57 -0.158 -12.927 3.992 1.00 0.00 C ATOM 880 CG ASP A 57 -0.782 -14.136 4.659 1.00 0.00 C ATOM 881 OD1 ASP A 57 -0.382 -15.270 4.326 1.00 0.00 O ATOM 882 OD2 ASP A 57 -1.674 -13.946 5.512 1.00 0.00 O ATOM 0 H ASP A 57 1.101 -12.331 1.618 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.556 -13.364 2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.919 -13.073 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.317 -12.048 4.617 1.00 0.00 H new ATOM 887 N ILE A 58 -1.157 -10.631 1.326 1.00 0.00 N ATOM 888 CA ILE A 58 -1.640 -9.261 1.104 1.00 0.00 C ATOM 889 C ILE A 58 -2.040 -9.059 -0.345 1.00 0.00 C ATOM 890 O ILE A 58 -1.234 -8.579 -1.145 1.00 0.00 O ATOM 891 CB ILE A 58 -0.540 -8.223 1.396 1.00 0.00 C ATOM 892 CG1 ILE A 58 0.320 -8.644 2.589 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.155 -6.845 1.597 1.00 0.00 C ATOM 894 CD1 ILE A 58 1.783 -8.809 2.238 1.00 0.00 C ATOM 0 H ILE A 58 -0.729 -11.063 0.507 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.489 -9.125 1.774 1.00 0.00 H new ATOM 0 HB ILE A 58 0.124 -8.171 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.224 -7.899 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.060 -9.584 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.366 -6.121 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.691 -6.551 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.848 -6.875 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.339 -9.108 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.889 -9.574 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.177 -7.863 1.865 1.00 0.00 H new ATOM 906 N ARG A 59 -3.236 -9.480 -0.726 1.00 0.00 N ATOM 907 CA ARG A 59 -3.612 -9.381 -2.129 1.00 0.00 C ATOM 908 C ARG A 59 -4.712 -8.382 -2.491 1.00 0.00 C ATOM 909 O ARG A 59 -5.107 -8.240 -3.646 1.00 0.00 O ATOM 910 CB ARG A 59 -4.029 -10.759 -2.652 1.00 0.00 C ATOM 911 CG ARG A 59 -3.199 -11.908 -2.110 1.00 0.00 C ATOM 912 CD ARG A 59 -3.668 -13.236 -2.684 1.00 0.00 C ATOM 913 NE ARG A 59 -5.037 -13.548 -2.279 1.00 0.00 N ATOM 914 CZ ARG A 59 -5.359 -14.059 -1.093 1.00 0.00 C ATOM 915 NH1 ARG A 59 -4.417 -14.288 -0.187 1.00 0.00 N ATOM 916 NH2 ARG A 59 -6.626 -14.333 -0.808 1.00 0.00 N ATOM 0 H ARG A 59 -3.942 -9.880 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.710 -8.994 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.075 -10.930 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.961 -10.758 -3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.149 -11.751 -2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.270 -11.932 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.609 -13.203 -3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.000 -14.031 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.789 -13.364 -2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.443 -14.072 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.667 -14.680 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.355 -14.152 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.871 -14.725 0.101 1.00 0.00 H new ATOM 930 N PHE A 60 -5.204 -7.713 -1.429 1.00 0.00 N ATOM 931 CA PHE A 60 -6.266 -6.725 -1.523 1.00 0.00 C ATOM 932 C PHE A 60 -6.062 -5.633 -0.504 1.00 0.00 C ATOM 933 O PHE A 60 -5.559 -5.851 0.596 1.00 0.00 O ATOM 934 CB PHE A 60 -7.631 -7.377 -1.308 1.00 0.00 C ATOM 935 CG PHE A 60 -7.996 -8.410 -2.333 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.531 -9.711 -2.222 1.00 0.00 C ATOM 937 CD2 PHE A 60 -8.816 -8.083 -3.397 1.00 0.00 C ATOM 938 CE1 PHE A 60 -7.877 -10.666 -3.159 1.00 0.00 C ATOM 939 CE2 PHE A 60 -9.165 -9.031 -4.338 1.00 0.00 C ATOM 940 CZ PHE A 60 -8.694 -10.326 -4.218 1.00 0.00 C ATOM 0 H PHE A 60 -4.863 -7.854 -0.478 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.235 -6.292 -2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.647 -7.841 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.395 -6.599 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.892 -9.981 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.188 -7.074 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.509 -11.677 -3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.804 -8.762 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.965 -11.070 -4.952 1.00 0.00 H new ATOM 950 N VAL A 61 -6.411 -4.447 -0.936 1.00 0.00 N ATOM 951 CA VAL A 61 -6.231 -3.246 -0.144 1.00 0.00 C ATOM 952 C VAL A 61 -7.564 -2.613 0.305 1.00 0.00 C ATOM 953 O VAL A 61 -8.433 -2.315 -0.512 1.00 0.00 O ATOM 954 CB VAL A 61 -5.433 -2.229 -0.978 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.389 -2.917 -1.830 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.348 -1.364 -1.835 1.00 0.00 C ATOM 0 H VAL A 61 -6.830 -4.282 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.696 -3.523 0.764 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.918 -1.572 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.842 -2.172 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.695 -3.460 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.877 -3.616 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.748 -0.658 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.914 -1.998 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.037 -0.816 -1.193 1.00 0.00 H new ATOM 966 N TYR A 62 -7.742 -2.460 1.617 1.00 0.00 N ATOM 967 CA TYR A 62 -8.980 -1.929 2.159 1.00 0.00 C ATOM 968 C TYR A 62 -8.860 -0.498 2.705 1.00 0.00 C ATOM 969 O TYR A 62 -8.238 -0.240 3.739 1.00 0.00 O ATOM 970 CB TYR A 62 -9.495 -2.859 3.255 1.00 0.00 C ATOM 971 CG TYR A 62 -9.671 -4.299 2.805 1.00 0.00 C ATOM 972 CD1 TYR A 62 -8.608 -5.038 2.278 1.00 0.00 C ATOM 973 CD2 TYR A 62 -10.905 -4.923 2.917 1.00 0.00 C ATOM 974 CE1 TYR A 62 -8.780 -6.348 1.883 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.081 -6.235 2.525 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.017 -6.944 2.009 1.00 0.00 C ATOM 977 OH TYR A 62 -10.193 -8.250 1.618 1.00 0.00 O ATOM 0 H TYR A 62 -7.041 -2.698 2.319 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.684 -1.878 1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.802 -2.833 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.451 -2.482 3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -7.637 -4.576 2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.743 -4.372 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -7.949 -6.905 1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.049 -6.704 2.622 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.123 -8.516 1.775 1.00 0.00 H new ATOM 987 N THR A 63 -9.452 0.429 1.973 1.00 0.00 N ATOM 988 CA THR A 63 -9.454 1.854 2.327 1.00 0.00 C ATOM 989 C THR A 63 -10.897 2.380 2.458 1.00 0.00 C ATOM 990 O THR A 63 -11.812 1.839 1.848 1.00 0.00 O ATOM 991 CB THR A 63 -8.713 2.651 1.265 1.00 0.00 C ATOM 992 OG1 THR A 63 -8.704 4.028 1.587 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.332 2.483 -0.099 1.00 0.00 C ATOM 0 H THR A 63 -9.951 0.222 1.108 1.00 0.00 H new ATOM 0 HA THR A 63 -8.951 1.972 3.287 1.00 0.00 H new ATOM 0 HB THR A 63 -7.694 2.265 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.780 4.328 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.772 3.069 -0.827 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.307 1.431 -0.383 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.366 2.827 -0.074 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.119 3.431 3.278 1.00 0.00 N ATOM 1002 CA PRO A 64 -12.465 4.008 3.518 1.00 0.00 C ATOM 1003 C PRO A 64 -13.182 4.574 2.274 1.00 0.00 C ATOM 1004 O PRO A 64 -12.581 5.224 1.417 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.191 5.150 4.506 1.00 0.00 C ATOM 1006 CG PRO A 64 -10.888 4.809 5.137 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.088 4.119 4.072 1.00 0.00 C ATOM 0 HA PRO A 64 -13.138 3.226 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.142 6.111 3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -12.983 5.225 5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.378 5.705 5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.030 4.161 6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.521 4.829 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.370 3.417 4.497 1.00 0.00 H new ATOM 1015 N ALA A 65 -14.488 4.285 2.216 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.387 4.688 1.159 1.00 0.00 C ATOM 1017 C ALA A 65 -16.275 5.852 1.563 1.00 0.00 C ATOM 1018 O ALA A 65 -17.268 5.684 2.272 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.254 3.521 0.738 1.00 0.00 C ATOM 0 H ALA A 65 -14.954 3.740 2.941 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.767 5.017 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.927 3.837 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.622 2.709 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.838 3.175 1.591 1.00 0.00 H new ATOM 1025 N MET A 66 -15.917 7.022 1.086 1.00 0.00 N ATOM 1026 CA MET A 66 -16.674 8.229 1.357 1.00 0.00 C ATOM 1027 C MET A 66 -16.671 9.141 0.135 1.00 0.00 C ATOM 1028 O MET A 66 -15.940 8.901 -0.826 1.00 0.00 O ATOM 1029 CB MET A 66 -16.099 8.951 2.570 1.00 0.00 C ATOM 1030 CG MET A 66 -17.117 9.239 3.657 1.00 0.00 C ATOM 1031 SD MET A 66 -16.417 9.077 5.311 1.00 0.00 S ATOM 1032 CE MET A 66 -16.090 10.793 5.706 1.00 0.00 C ATOM 0 H MET A 66 -15.095 7.167 0.500 1.00 0.00 H new ATOM 0 HA MET A 66 -17.706 7.955 1.577 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.294 8.348 2.991 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.656 9.892 2.243 1.00 0.00 H new ATOM 0 HG2 MET A 66 -17.508 10.248 3.528 1.00 0.00 H new ATOM 0 HG3 MET A 66 -17.960 8.555 3.553 1.00 0.00 H new ATOM 0 HE1 MET A 66 -15.653 10.860 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 66 -15.395 11.208 4.976 1.00 0.00 H new ATOM 0 HE3 MET A 66 -17.023 11.356 5.680 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.490 10.181 0.177 1.00 0.00 N ATOM 1043 CA GLU A 67 -17.579 11.125 -0.927 1.00 0.00 C ATOM 1044 C GLU A 67 -16.290 11.932 -1.067 1.00 0.00 C ATOM 1045 O GLU A 67 -15.714 12.012 -2.152 1.00 0.00 O ATOM 1046 CB GLU A 67 -18.762 12.067 -0.713 1.00 0.00 C ATOM 1047 CG GLU A 67 -20.113 11.388 -0.868 1.00 0.00 C ATOM 1048 CD GLU A 67 -20.890 11.328 0.432 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -20.354 10.786 1.422 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -22.037 11.823 0.461 1.00 0.00 O ATOM 0 H GLU A 67 -18.103 10.393 0.964 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.728 10.559 -1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.695 12.501 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.694 12.890 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.701 11.924 -1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.965 10.376 -1.245 1.00 0.00 H new ATOM 1057 N SER A 68 -15.847 12.532 0.035 1.00 0.00 N ATOM 1058 CA SER A 68 -14.630 13.341 0.029 1.00 0.00 C ATOM 1059 C SER A 68 -13.473 12.610 0.701 1.00 0.00 C ATOM 1060 O SER A 68 -12.573 13.236 1.264 1.00 0.00 O ATOM 1061 CB SER A 68 -14.874 14.676 0.734 1.00 0.00 C ATOM 1062 OG SER A 68 -15.934 15.397 0.126 1.00 0.00 O ATOM 0 H SER A 68 -16.311 12.474 0.942 1.00 0.00 H new ATOM 0 HA SER A 68 -14.362 13.525 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.109 14.497 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.963 15.274 0.708 1.00 0.00 H new ATOM 0 HG SER A 68 -16.067 16.245 0.600 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.499 11.287 0.633 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.450 10.471 1.229 1.00 0.00 C ATOM 1070 C VAL A 69 -11.275 10.330 0.282 1.00 0.00 C ATOM 1071 O VAL A 69 -11.299 10.821 -0.849 1.00 0.00 O ATOM 1072 CB VAL A 69 -12.966 9.052 1.579 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -12.980 8.149 0.348 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.148 8.424 2.703 1.00 0.00 C ATOM 0 H VAL A 69 -14.236 10.755 0.171 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.136 10.977 2.142 1.00 0.00 H new ATOM 0 HB VAL A 69 -13.992 9.157 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.347 7.161 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.634 8.579 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.969 8.062 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.536 7.430 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.105 8.346 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.217 9.047 3.595 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.279 9.612 0.746 1.00 0.00 N ATOM 1085 CA CYS A 70 -9.107 9.334 -0.041 1.00 0.00 C ATOM 1086 C CYS A 70 -9.268 7.984 -0.686 1.00 0.00 C ATOM 1087 O CYS A 70 -9.246 7.864 -1.910 1.00 0.00 O ATOM 1088 CB CYS A 70 -7.857 9.370 0.836 1.00 0.00 C ATOM 1089 SG CYS A 70 -7.872 10.692 2.089 1.00 0.00 S ATOM 0 H CYS A 70 -10.261 9.205 1.681 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.992 10.094 -0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.749 8.408 1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.982 9.497 0.199 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.413 6.958 0.136 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.553 5.638 -0.402 1.00 0.00 C ATOM 1096 C GLY A 71 -8.298 5.244 -1.131 1.00 0.00 C ATOM 1097 O GLY A 71 -7.242 5.067 -0.523 1.00 0.00 O ATOM 0 H GLY A 71 -9.435 7.021 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.755 4.929 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.405 5.602 -1.081 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.393 5.140 -2.439 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.231 4.797 -3.239 1.00 0.00 C ATOM 1103 C TYR A 72 -7.470 5.056 -4.705 1.00 0.00 C ATOM 1104 O TYR A 72 -7.818 4.148 -5.464 1.00 0.00 O ATOM 1105 CB TYR A 72 -6.867 3.333 -3.015 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.473 2.968 -3.473 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -5.202 2.673 -4.807 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -4.422 2.916 -2.567 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -3.925 2.340 -5.219 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -3.146 2.583 -2.971 1.00 0.00 C ATOM 1111 CZ TYR A 72 -2.901 2.296 -4.297 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.626 1.966 -4.703 1.00 0.00 O ATOM 0 H TYR A 72 -9.252 5.286 -2.969 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.403 5.432 -2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.961 3.104 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.587 2.706 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.002 2.705 -5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.607 3.140 -1.527 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.731 2.116 -6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.342 2.547 -2.251 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.268 1.265 -4.120 1.00 0.00 H new ATOM 1122 N PHE A 73 -7.297 6.304 -5.103 1.00 0.00 N ATOM 1123 CA PHE A 73 -7.511 6.672 -6.482 1.00 0.00 C ATOM 1124 C PHE A 73 -6.449 6.044 -7.365 1.00 0.00 C ATOM 1125 O PHE A 73 -5.333 6.545 -7.504 1.00 0.00 O ATOM 1126 CB PHE A 73 -7.530 8.191 -6.660 1.00 0.00 C ATOM 1127 CG PHE A 73 -8.918 8.785 -6.693 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -9.724 8.781 -5.563 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -9.417 9.346 -7.862 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -10.997 9.325 -5.599 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -10.688 9.888 -7.902 1.00 0.00 C ATOM 1132 CZ PHE A 73 -11.480 9.878 -6.770 1.00 0.00 C ATOM 0 H PHE A 73 -7.011 7.070 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.488 6.293 -6.783 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.968 8.650 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.014 8.445 -7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.354 8.349 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.804 9.359 -8.751 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.613 9.317 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.062 10.320 -8.819 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.473 10.301 -6.800 1.00 0.00 H new ATOM 1142 N HIS A 74 -6.830 4.909 -7.925 1.00 0.00 N ATOM 1143 CA HIS A 74 -5.923 4.169 -8.773 1.00 0.00 C ATOM 1144 C HIS A 74 -6.199 4.471 -10.243 1.00 0.00 C ATOM 1145 O HIS A 74 -7.101 3.903 -10.857 1.00 0.00 O ATOM 1146 CB HIS A 74 -6.029 2.677 -8.458 1.00 0.00 C ATOM 1147 CG HIS A 74 -5.535 1.791 -9.560 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -6.138 1.348 -10.689 1.00 0.00 N flip ATOM 1149 CD2 HIS A 74 -4.257 1.274 -9.583 1.00 0.00 C flip ATOM 1150 CE1 HIS A 74 -5.220 0.581 -11.364 1.00 0.00 C flip ATOM 1151 NE2 HIS A 74 -4.095 0.553 -10.677 1.00 0.00 N flip ATOM 0 H HIS A 74 -7.751 4.487 -7.808 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.898 4.480 -8.574 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.462 2.465 -7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -7.070 2.433 -8.247 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -7.094 1.547 -10.983 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.505 1.434 -8.824 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.392 0.081 -12.306 1.00 0.00 H new ATOM 1160 N ARG A 75 -5.395 5.375 -10.793 1.00 0.00 N ATOM 1161 CA ARG A 75 -5.521 5.779 -12.185 1.00 0.00 C ATOM 1162 C ARG A 75 -4.310 5.320 -12.991 1.00 0.00 C ATOM 1163 O ARG A 75 -3.989 5.898 -14.029 1.00 0.00 O ATOM 1164 CB ARG A 75 -5.678 7.299 -12.291 1.00 0.00 C ATOM 1165 CG ARG A 75 -4.649 8.089 -11.491 1.00 0.00 C ATOM 1166 CD ARG A 75 -5.310 8.996 -10.462 1.00 0.00 C ATOM 1167 NE ARG A 75 -5.727 10.275 -11.043 1.00 0.00 N ATOM 1168 CZ ARG A 75 -5.332 11.472 -10.601 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -4.496 11.579 -9.575 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -5.778 12.571 -11.195 1.00 0.00 N ATOM 0 H ARG A 75 -4.643 5.844 -10.289 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.412 5.305 -12.596 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.607 7.588 -13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.676 7.575 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.973 7.399 -10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.044 8.690 -12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.178 8.491 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.616 9.180 -9.642 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.363 10.249 -11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.146 10.740 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.204 12.500 -9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.419 12.499 -11.985 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.480 13.488 -10.862 1.00 0.00 H new ATOM 1184 N SER A 76 -3.645 4.273 -12.506 1.00 0.00 N ATOM 1185 CA SER A 76 -2.474 3.730 -13.182 1.00 0.00 C ATOM 1186 C SER A 76 -2.877 2.557 -14.073 1.00 0.00 C ATOM 1187 O SER A 76 -2.745 1.397 -13.687 1.00 0.00 O ATOM 1188 CB SER A 76 -1.413 3.295 -12.156 1.00 0.00 C ATOM 1189 OG SER A 76 -0.431 4.305 -11.983 1.00 0.00 O ATOM 0 H SER A 76 -3.899 3.785 -11.647 1.00 0.00 H new ATOM 0 HA SER A 76 -2.040 4.508 -13.810 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.892 3.080 -11.201 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.937 2.372 -12.488 1.00 0.00 H new ATOM 0 HG SER A 76 0.454 3.891 -11.905 1.00 0.00 H new ATOM 1195 N HIS A 77 -3.383 2.875 -15.265 1.00 0.00 N ATOM 1196 CA HIS A 77 -3.826 1.860 -16.224 1.00 0.00 C ATOM 1197 C HIS A 77 -2.817 0.722 -16.347 1.00 0.00 C ATOM 1198 O HIS A 77 -3.175 -0.424 -16.622 1.00 0.00 O ATOM 1199 CB HIS A 77 -4.042 2.505 -17.593 1.00 0.00 C ATOM 1200 CG HIS A 77 -4.856 3.763 -17.544 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -4.296 5.022 -17.482 1.00 0.00 N ATOM 1202 CD2 HIS A 77 -6.196 3.949 -17.554 1.00 0.00 C ATOM 1203 CE1 HIS A 77 -5.258 5.928 -17.455 1.00 0.00 C ATOM 1204 NE2 HIS A 77 -6.419 5.303 -17.498 1.00 0.00 N ATOM 0 H HIS A 77 -3.497 3.834 -15.592 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.763 1.440 -15.858 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.072 2.727 -18.037 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.536 1.788 -18.249 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.950 3.177 -17.598 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.118 6.998 -17.406 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.334 5.753 -17.491 1.00 0.00 H new ATOM 1213 N ASN A 78 -1.555 1.062 -16.172 1.00 0.00 N ATOM 1214 CA ASN A 78 -0.474 0.091 -16.289 1.00 0.00 C ATOM 1215 C ASN A 78 -0.569 -1.004 -15.228 1.00 0.00 C ATOM 1216 O ASN A 78 -0.253 -0.772 -14.061 1.00 0.00 O ATOM 1217 CB ASN A 78 0.878 0.798 -16.174 1.00 0.00 C ATOM 1218 CG ASN A 78 1.996 0.041 -16.864 1.00 0.00 C ATOM 1219 OD1 ASN A 78 2.401 -1.035 -16.423 1.00 0.00 O ATOM 1220 ND2 ASN A 78 2.503 0.603 -17.956 1.00 0.00 N ATOM 0 H ASN A 78 -1.247 2.008 -15.947 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.566 -0.382 -17.267 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.800 1.795 -16.607 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.128 0.926 -15.121 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.258 0.141 -18.464 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.137 1.496 -18.287 1.00 0.00 H new ATOM 1227 N ARG A 79 -1.016 -2.204 -15.623 1.00 0.00 N ATOM 1228 CA ARG A 79 -1.157 -3.322 -14.695 1.00 0.00 C ATOM 1229 C ARG A 79 0.188 -4.026 -14.477 1.00 0.00 C ATOM 1230 O ARG A 79 0.348 -4.768 -13.514 1.00 0.00 O ATOM 1231 CB ARG A 79 -2.221 -4.302 -15.199 1.00 0.00 C ATOM 1232 CG ARG A 79 -2.041 -4.722 -16.648 1.00 0.00 C ATOM 1233 CD ARG A 79 -1.925 -6.230 -16.779 1.00 0.00 C ATOM 1234 NE ARG A 79 -3.168 -6.909 -16.421 1.00 0.00 N ATOM 1235 CZ ARG A 79 -3.475 -8.144 -16.812 1.00 0.00 C ATOM 1236 NH1 ARG A 79 -2.631 -8.834 -17.569 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -4.627 -8.690 -16.446 1.00 0.00 N ATOM 0 H ARG A 79 -1.285 -2.420 -16.583 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.484 -2.932 -13.731 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.207 -5.192 -14.570 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.204 -3.845 -15.084 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.886 -4.368 -17.238 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.147 -4.250 -17.056 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.655 -6.485 -17.804 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.119 -6.588 -16.139 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.839 -6.408 -15.838 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.744 -8.418 -17.853 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.869 -9.780 -17.867 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.279 -8.164 -15.864 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.861 -9.636 -16.746 1.00 0.00 H new ATOM 1251 N SER A 80 1.151 -3.729 -15.354 1.00 0.00 N ATOM 1252 CA SER A 80 2.513 -4.268 -15.264 1.00 0.00 C ATOM 1253 C SER A 80 3.373 -3.247 -14.516 1.00 0.00 C ATOM 1254 O SER A 80 4.582 -3.455 -14.402 1.00 0.00 O ATOM 1255 CB SER A 80 3.074 -4.502 -16.662 1.00 0.00 C ATOM 1256 OG SER A 80 2.851 -3.378 -17.495 1.00 0.00 O ATOM 0 H SER A 80 1.009 -3.106 -16.149 1.00 0.00 H new ATOM 0 HA SER A 80 2.511 -5.221 -14.735 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.143 -4.706 -16.599 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.607 -5.383 -17.102 1.00 0.00 H new ATOM 0 HG SER A 80 2.920 -2.558 -16.963 1.00 0.00 H new ATOM 1262 N GLU A 81 2.797 -2.190 -13.973 1.00 0.00 N ATOM 1263 CA GLU A 81 3.620 -1.248 -13.221 1.00 0.00 C ATOM 1264 C GLU A 81 3.683 -1.635 -11.736 1.00 0.00 C ATOM 1265 O GLU A 81 2.658 -1.653 -11.056 1.00 0.00 O ATOM 1266 CB GLU A 81 3.147 0.196 -13.384 1.00 0.00 C ATOM 1267 CG GLU A 81 4.298 1.191 -13.342 1.00 0.00 C ATOM 1268 CD GLU A 81 4.654 1.610 -11.929 1.00 0.00 C ATOM 1269 OE1 GLU A 81 3.854 2.334 -11.305 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.738 1.215 -11.449 1.00 0.00 O ATOM 0 H GLU A 81 1.804 -1.963 -14.031 1.00 0.00 H new ATOM 0 HA GLU A 81 4.626 -1.305 -13.638 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.617 0.297 -14.331 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.435 0.434 -12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.173 0.749 -13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.032 2.074 -13.923 1.00 0.00 H new ATOM 1277 N GLU A 82 4.891 -1.924 -11.228 1.00 0.00 N ATOM 1278 CA GLU A 82 5.092 -2.289 -9.822 1.00 0.00 C ATOM 1279 C GLU A 82 4.859 -1.090 -8.914 1.00 0.00 C ATOM 1280 O GLU A 82 5.327 0.014 -9.194 1.00 0.00 O ATOM 1281 CB GLU A 82 6.525 -2.792 -9.582 1.00 0.00 C ATOM 1282 CG GLU A 82 6.649 -4.298 -9.447 1.00 0.00 C ATOM 1283 CD GLU A 82 7.963 -4.827 -9.986 1.00 0.00 C ATOM 1284 OE1 GLU A 82 8.287 -4.534 -11.156 1.00 0.00 O ATOM 1285 OE2 GLU A 82 8.669 -5.537 -9.238 1.00 0.00 O ATOM 0 H GLU A 82 5.750 -1.911 -11.779 1.00 0.00 H new ATOM 0 HA GLU A 82 4.377 -3.079 -9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.156 -2.461 -10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.913 -2.326 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.554 -4.574 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.825 -4.775 -9.977 1.00 0.00 H new ATOM 1292 N PHE A 83 4.121 -1.304 -7.838 1.00 0.00 N ATOM 1293 CA PHE A 83 3.812 -0.233 -6.904 1.00 0.00 C ATOM 1294 C PHE A 83 4.517 -0.398 -5.553 1.00 0.00 C ATOM 1295 O PHE A 83 5.137 -1.418 -5.259 1.00 0.00 O ATOM 1296 CB PHE A 83 2.297 -0.125 -6.675 1.00 0.00 C ATOM 1297 CG PHE A 83 1.580 0.758 -7.668 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.062 0.936 -8.958 1.00 0.00 C ATOM 1299 CD2 PHE A 83 0.419 1.421 -7.301 1.00 0.00 C ATOM 1300 CE1 PHE A 83 1.401 1.751 -9.853 1.00 0.00 C ATOM 1301 CE2 PHE A 83 -0.242 2.239 -8.193 1.00 0.00 C ATOM 1302 CZ PHE A 83 0.250 2.405 -9.470 1.00 0.00 C ATOM 0 H PHE A 83 3.724 -2.210 -7.589 1.00 0.00 H new ATOM 0 HA PHE A 83 4.184 0.683 -7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.863 -1.124 -6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.120 0.259 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.966 0.430 -9.264 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.027 1.295 -6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.786 1.877 -10.854 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.145 2.749 -7.891 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.266 3.047 -10.169 1.00 0.00 H new ATOM 1312 N LEU A 84 4.338 0.630 -4.735 1.00 0.00 N ATOM 1313 CA LEU A 84 4.863 0.673 -3.371 1.00 0.00 C ATOM 1314 C LEU A 84 3.679 0.940 -2.444 1.00 0.00 C ATOM 1315 O LEU A 84 2.889 1.852 -2.692 1.00 0.00 O ATOM 1316 CB LEU A 84 5.975 1.735 -3.218 1.00 0.00 C ATOM 1317 CG LEU A 84 6.663 1.831 -1.843 1.00 0.00 C ATOM 1318 CD1 LEU A 84 5.856 2.714 -0.908 1.00 0.00 C ATOM 1319 CD2 LEU A 84 6.885 0.458 -1.222 1.00 0.00 C ATOM 0 H LEU A 84 3.819 1.468 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 84 5.335 -0.275 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.741 1.535 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.547 2.710 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 84 7.644 2.281 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.355 2.772 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.773 3.714 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.860 2.291 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.372 0.571 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.925 -0.041 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.517 -0.140 -1.878 1.00 0.00 H new ATOM 1331 N ILE A 85 3.504 0.083 -1.447 1.00 0.00 N ATOM 1332 CA ILE A 85 2.327 0.225 -0.587 1.00 0.00 C ATOM 1333 C ILE A 85 2.628 0.230 0.914 1.00 0.00 C ATOM 1334 O ILE A 85 2.783 -0.817 1.531 1.00 0.00 O ATOM 1335 CB ILE A 85 1.316 -0.898 -0.905 1.00 0.00 C ATOM 1336 CG1 ILE A 85 0.804 -0.763 -2.346 1.00 0.00 C ATOM 1337 CG2 ILE A 85 0.147 -0.863 0.076 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.148 -2.020 -2.882 1.00 0.00 C ATOM 0 H ILE A 85 4.130 -0.688 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 85 1.913 1.208 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 85 1.824 -1.857 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.088 0.057 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.638 -0.495 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.554 -1.662 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.520 -1.001 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.360 0.099 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.188 -1.847 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.867 -2.839 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.707 -2.279 -2.258 1.00 0.00 H new ATOM 1350 N ALA A 86 2.524 1.419 1.496 1.00 0.00 N ATOM 1351 CA ALA A 86 2.598 1.585 2.954 1.00 0.00 C ATOM 1352 C ALA A 86 1.142 1.569 3.441 1.00 0.00 C ATOM 1353 O ALA A 86 0.355 2.456 3.107 1.00 0.00 O ATOM 1354 CB ALA A 86 3.294 2.873 3.339 1.00 0.00 C ATOM 0 H ALA A 86 2.387 2.290 0.983 1.00 0.00 H new ATOM 0 HA ALA A 86 3.186 0.791 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.328 2.958 4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.310 2.870 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.746 3.720 2.926 1.00 0.00 H new ATOM 1360 N GLY A 87 0.797 0.556 4.245 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.554 0.441 4.786 1.00 0.00 C ATOM 1362 C GLY A 87 -0.667 -0.528 5.975 1.00 0.00 C ATOM 1363 O GLY A 87 -0.122 -1.614 5.941 1.00 0.00 O ATOM 0 H GLY A 87 1.433 -0.189 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.895 1.428 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.225 0.109 3.994 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.394 -0.113 7.018 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.627 -0.902 8.239 1.00 0.00 C ATOM 1369 C LYS A 88 -2.666 -2.010 7.994 1.00 0.00 C ATOM 1370 O LYS A 88 -3.244 -2.102 6.910 1.00 0.00 O ATOM 1371 CB LYS A 88 -2.090 0.042 9.363 1.00 0.00 C ATOM 1372 CG LYS A 88 -1.594 -0.294 10.766 1.00 0.00 C ATOM 1373 CD LYS A 88 -2.633 -1.081 11.556 1.00 0.00 C ATOM 1374 CE LYS A 88 -3.553 -0.169 12.351 1.00 0.00 C ATOM 1375 NZ LYS A 88 -4.988 -0.485 12.105 1.00 0.00 N ATOM 0 H LYS A 88 -1.848 0.800 7.040 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.697 -1.390 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.766 1.053 9.117 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.180 0.051 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.673 -0.873 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.353 0.627 11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.226 -1.687 10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.128 -1.768 12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.335 -0.269 13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.358 0.869 12.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.516 -0.420 12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.380 0.193 11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.071 -1.449 11.724 1.00 0.00 H new ATOM 1389 N LEU A 89 -2.893 -2.856 9.004 1.00 0.00 N ATOM 1390 CA LEU A 89 -3.844 -3.963 8.930 1.00 0.00 C ATOM 1391 C LEU A 89 -5.060 -3.737 9.820 1.00 0.00 C ATOM 1392 O LEU A 89 -4.933 -3.218 10.929 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.159 -5.243 9.401 1.00 0.00 C ATOM 1394 CG LEU A 89 -2.544 -6.105 8.314 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -1.946 -7.364 8.931 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -3.608 -6.453 7.290 1.00 0.00 C ATOM 0 H LEU A 89 -2.416 -2.788 9.903 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.175 -4.037 7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.376 -4.973 10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.888 -5.843 9.945 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.744 -5.559 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.506 -7.980 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.175 -7.086 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.729 -7.928 9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.171 -7.072 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.416 -7.000 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.003 -5.537 6.850 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.232 -4.181 9.363 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.463 -4.082 10.127 1.00 0.00 C ATOM 1410 C GLN A 90 -8.082 -5.474 10.237 1.00 0.00 C ATOM 1411 O GLN A 90 -8.585 -6.017 9.255 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.430 -3.123 9.447 1.00 0.00 C ATOM 1413 CG GLN A 90 -9.421 -2.483 10.400 1.00 0.00 C ATOM 1414 CD GLN A 90 -8.917 -1.168 10.957 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -8.658 -0.225 10.210 1.00 0.00 O ATOM 1416 NE2 GLN A 90 -8.769 -1.101 12.274 1.00 0.00 N ATOM 0 H GLN A 90 -6.348 -4.620 8.449 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.250 -3.695 11.124 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.860 -2.339 8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.978 -3.661 8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.365 -2.317 9.881 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.625 -3.169 11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.996 -1.908 12.854 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.428 -0.242 12.706 1.00 0.00 H new ATOM 1425 N ASP A 91 -8.063 -6.018 11.445 1.00 0.00 N ATOM 1426 CA ASP A 91 -8.651 -7.339 11.706 1.00 0.00 C ATOM 1427 C ASP A 91 -8.395 -8.348 10.579 1.00 0.00 C ATOM 1428 O ASP A 91 -9.204 -9.249 10.352 1.00 0.00 O ATOM 1429 CB ASP A 91 -10.159 -7.213 11.946 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.498 -7.057 13.415 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -10.130 -7.949 14.208 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -11.133 -6.042 13.776 1.00 0.00 O ATOM 0 H ASP A 91 -7.649 -5.572 12.264 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.158 -7.722 12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.542 -6.354 11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.662 -8.096 11.551 1.00 0.00 H new ATOM 1437 N GLY A 92 -7.258 -8.214 9.910 1.00 0.00 N ATOM 1438 CA GLY A 92 -6.942 -9.173 8.858 1.00 0.00 C ATOM 1439 C GLY A 92 -6.816 -8.606 7.448 1.00 0.00 C ATOM 1440 O GLY A 92 -6.446 -9.333 6.526 1.00 0.00 O ATOM 0 H GLY A 92 -6.564 -7.483 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.004 -9.667 9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.715 -9.941 8.851 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.162 -7.336 7.261 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.123 -6.735 5.933 1.00 0.00 C ATOM 1446 C LEU A 93 -6.213 -5.523 5.884 1.00 0.00 C ATOM 1447 O LEU A 93 -6.091 -4.782 6.859 1.00 0.00 O ATOM 1448 CB LEU A 93 -8.533 -6.316 5.499 1.00 0.00 C ATOM 1449 CG LEU A 93 -9.579 -7.435 5.462 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -9.045 -8.643 4.710 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -9.999 -7.818 6.873 1.00 0.00 C ATOM 0 H LEU A 93 -7.470 -6.709 8.004 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.728 -7.489 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.885 -5.538 6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.470 -5.870 4.506 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.458 -7.068 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.803 -9.426 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.800 -8.356 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.149 -9.014 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.742 -8.614 6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.129 -8.165 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.427 -6.950 7.373 1.00 0.00 H new ATOM 1463 N LEU A 94 -5.589 -5.319 4.732 1.00 0.00 N ATOM 1464 CA LEU A 94 -4.708 -4.188 4.525 1.00 0.00 C ATOM 1465 C LEU A 94 -5.524 -2.906 4.497 1.00 0.00 C ATOM 1466 O LEU A 94 -6.707 -2.924 4.170 1.00 0.00 O ATOM 1467 CB LEU A 94 -3.932 -4.344 3.219 1.00 0.00 C ATOM 1468 CG LEU A 94 -2.992 -3.186 2.876 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -1.981 -2.979 3.988 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.269 -3.461 1.568 1.00 0.00 C ATOM 0 H LEU A 94 -5.681 -5.931 3.922 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.992 -4.144 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.347 -5.262 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.645 -4.465 2.404 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.589 -2.280 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.320 -2.152 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.503 -2.749 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.392 -3.887 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.604 -2.628 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.685 -4.377 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.998 -3.575 0.766 1.00 0.00 H new ATOM 1482 N HIS A 95 -4.892 -1.789 4.808 1.00 0.00 N ATOM 1483 CA HIS A 95 -5.582 -0.514 4.774 1.00 0.00 C ATOM 1484 C HIS A 95 -4.649 0.564 4.260 1.00 0.00 C ATOM 1485 O HIS A 95 -3.465 0.593 4.594 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.143 -0.139 6.145 1.00 0.00 C ATOM 1487 CG HIS A 95 -7.446 -0.811 6.458 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -7.767 -2.123 6.527 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -8.611 -0.121 6.733 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.100 -2.204 6.836 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -9.588 -0.984 6.956 1.00 0.00 N flip ATOM 0 H HIS A 95 -3.911 -1.739 5.084 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.429 -0.605 4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.414 -0.401 6.912 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.279 0.941 6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.708 0.954 6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.660 -3.119 6.961 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.554 -0.747 7.182 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.194 1.459 3.455 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.402 2.555 2.902 1.00 0.00 C ATOM 1502 C ILE A 96 -5.293 3.725 2.519 1.00 0.00 C ATOM 1503 O ILE A 96 -6.519 3.625 2.562 1.00 0.00 O ATOM 1504 CB ILE A 96 -3.588 2.135 1.659 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -4.430 1.229 0.771 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -2.284 1.443 2.062 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -4.599 -0.158 1.348 1.00 0.00 C ATOM 0 H ILE A 96 -6.173 1.453 3.169 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.706 2.847 3.688 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.324 3.032 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.412 1.680 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.964 1.155 -0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.731 1.158 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.680 2.125 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.511 0.552 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.207 -0.761 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.621 -0.624 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.091 -0.091 2.318 1.00 0.00 H new ATOM 1519 N THR A 97 -4.672 4.829 2.130 1.00 0.00 N ATOM 1520 CA THR A 97 -5.401 6.012 1.720 1.00 0.00 C ATOM 1521 C THR A 97 -4.508 6.887 0.845 1.00 0.00 C ATOM 1522 O THR A 97 -3.287 6.728 0.837 1.00 0.00 O ATOM 1523 CB THR A 97 -5.881 6.800 2.944 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.820 6.982 3.868 1.00 0.00 O ATOM 1525 CG2 THR A 97 -7.028 6.139 3.686 1.00 0.00 C ATOM 0 H THR A 97 -3.657 4.926 2.091 1.00 0.00 H new ATOM 0 HA THR A 97 -6.276 5.706 1.146 1.00 0.00 H new ATOM 0 HB THR A 97 -6.235 7.752 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.144 7.488 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.312 6.755 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.881 6.031 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.716 5.155 4.037 1.00 0.00 H new ATOM 1533 N THR A 98 -5.120 7.815 0.115 1.00 0.00 N ATOM 1534 CA THR A 98 -4.371 8.731 -0.751 1.00 0.00 C ATOM 1535 C THR A 98 -3.500 9.702 0.059 1.00 0.00 C ATOM 1536 O THR A 98 -2.793 10.532 -0.511 1.00 0.00 O ATOM 1537 CB THR A 98 -5.313 9.488 -1.685 1.00 0.00 C ATOM 1538 OG1 THR A 98 -6.011 10.515 -1.003 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.322 8.574 -2.332 1.00 0.00 C ATOM 0 H THR A 98 -6.130 7.955 0.103 1.00 0.00 H new ATOM 0 HA THR A 98 -3.698 8.127 -1.359 1.00 0.00 H new ATOM 0 HB THR A 98 -4.679 9.926 -2.456 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.603 10.980 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.971 9.155 -2.988 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.803 7.814 -2.916 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.923 8.092 -1.561 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.509 9.545 1.388 1.00 0.00 N ATOM 1548 CA CYS A 99 -2.671 10.355 2.271 1.00 0.00 C ATOM 1549 C CYS A 99 -1.777 9.438 3.105 1.00 0.00 C ATOM 1550 O CYS A 99 -1.224 9.824 4.132 1.00 0.00 O ATOM 1551 CB CYS A 99 -3.482 11.330 3.147 1.00 0.00 C ATOM 1552 SG CYS A 99 -2.453 12.325 4.266 1.00 0.00 S ATOM 0 H CYS A 99 -4.090 8.862 1.874 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.043 10.992 1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.053 11.997 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.203 10.763 3.736 1.00 0.00 H new ATOM 1557 N SER A 100 -1.607 8.222 2.596 1.00 0.00 N ATOM 1558 CA SER A 100 -0.735 7.232 3.207 1.00 0.00 C ATOM 1559 C SER A 100 0.408 6.994 2.234 1.00 0.00 C ATOM 1560 O SER A 100 0.214 7.156 1.027 1.00 0.00 O ATOM 1561 CB SER A 100 -1.486 5.928 3.482 1.00 0.00 C ATOM 1562 OG SER A 100 -1.476 5.614 4.866 1.00 0.00 O ATOM 0 H SER A 100 -2.071 7.898 1.748 1.00 0.00 H new ATOM 0 HA SER A 100 -0.366 7.590 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.515 6.017 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.028 5.115 2.918 1.00 0.00 H new ATOM 0 HG SER A 100 -1.964 4.777 5.015 1.00 0.00 H new ATOM 1568 N PHE A 101 1.600 6.656 2.709 1.00 0.00 N ATOM 1569 CA PHE A 101 2.695 6.466 1.768 1.00 0.00 C ATOM 1570 C PHE A 101 2.365 5.358 0.765 1.00 0.00 C ATOM 1571 O PHE A 101 2.469 4.173 1.083 1.00 0.00 O ATOM 1572 CB PHE A 101 3.993 6.147 2.499 1.00 0.00 C ATOM 1573 CG PHE A 101 5.215 6.348 1.652 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.420 5.600 0.501 1.00 0.00 C ATOM 1575 CD2 PHE A 101 6.161 7.291 2.011 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.550 5.793 -0.273 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.291 7.486 1.243 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.487 6.737 0.100 1.00 0.00 C ATOM 0 H PHE A 101 1.828 6.513 3.693 1.00 0.00 H new ATOM 0 HA PHE A 101 2.829 7.399 1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.067 6.776 3.386 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.964 5.113 2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.690 4.860 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.014 7.882 2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.699 5.207 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.022 8.225 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.371 6.889 -0.501 1.00 0.00 H new ATOM 1588 N VAL A 102 1.980 5.746 -0.457 1.00 0.00 N ATOM 1589 CA VAL A 102 1.650 4.776 -1.507 1.00 0.00 C ATOM 1590 C VAL A 102 1.947 5.328 -2.906 1.00 0.00 C ATOM 1591 O VAL A 102 1.207 6.174 -3.412 1.00 0.00 O ATOM 1592 CB VAL A 102 0.168 4.340 -1.471 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -0.035 3.136 -2.377 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.298 4.027 -0.054 1.00 0.00 C ATOM 0 H VAL A 102 1.890 6.721 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 102 2.282 3.912 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.437 5.172 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.081 2.832 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.239 3.399 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.592 2.313 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.345 3.725 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.306 3.218 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.188 4.914 0.569 1.00 0.00 H new ATOM 1604 N ALA A 103 3.022 4.848 -3.527 1.00 0.00 N ATOM 1605 CA ALA A 103 3.398 5.305 -4.878 1.00 0.00 C ATOM 1606 C ALA A 103 4.353 4.323 -5.567 1.00 0.00 C ATOM 1607 O ALA A 103 4.802 3.363 -4.955 1.00 0.00 O ATOM 1608 CB ALA A 103 4.017 6.696 -4.808 1.00 0.00 C ATOM 0 H ALA A 103 3.648 4.149 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 103 2.490 5.349 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.291 7.023 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.296 7.394 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.908 6.667 -4.180 1.00 0.00 H new ATOM 1614 N PRO A 104 4.659 4.533 -6.869 1.00 0.00 N ATOM 1615 CA PRO A 104 5.545 3.643 -7.635 1.00 0.00 C ATOM 1616 C PRO A 104 6.896 3.387 -7.021 1.00 0.00 C ATOM 1617 O PRO A 104 7.744 4.280 -6.987 1.00 0.00 O ATOM 1618 CB PRO A 104 5.801 4.404 -8.927 1.00 0.00 C ATOM 1619 CG PRO A 104 4.589 5.245 -9.109 1.00 0.00 C ATOM 1620 CD PRO A 104 4.141 5.629 -7.715 1.00 0.00 C ATOM 0 HA PRO A 104 5.063 2.669 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.701 5.015 -8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.942 3.724 -9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.813 6.129 -9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.807 4.696 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.549 6.594 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.056 5.707 -7.650 1.00 0.00 H new ATOM 1628 N TRP A 105 7.141 2.139 -6.660 1.00 0.00 N ATOM 1629 CA TRP A 105 8.448 1.747 -6.182 1.00 0.00 C ATOM 1630 C TRP A 105 9.449 2.390 -7.107 1.00 0.00 C ATOM 1631 O TRP A 105 10.428 3.017 -6.701 1.00 0.00 O ATOM 1632 CB TRP A 105 8.576 0.230 -6.312 1.00 0.00 C ATOM 1633 CG TRP A 105 9.818 -0.350 -5.745 1.00 0.00 C ATOM 1634 CD1 TRP A 105 10.816 -0.967 -6.436 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.186 -0.393 -4.370 1.00 0.00 C ATOM 1636 NE1 TRP A 105 11.791 -1.384 -5.574 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.431 -1.037 -4.298 1.00 0.00 C ATOM 1638 CE3 TRP A 105 9.593 0.059 -3.188 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.087 -1.235 -3.091 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.250 -0.141 -1.996 1.00 0.00 C ATOM 1641 CH2 TRP A 105 11.486 -0.779 -1.960 1.00 0.00 C ATOM 0 H TRP A 105 6.454 1.386 -6.690 1.00 0.00 H new ATOM 0 HA TRP A 105 8.605 2.044 -5.145 1.00 0.00 H new ATOM 0 HB2 TRP A 105 7.720 -0.234 -5.821 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.520 -0.034 -7.368 1.00 0.00 H new ATOM 0 HD1 TRP A 105 10.834 -1.106 -7.507 1.00 0.00 H new ATOM 0 HE1 TRP A 105 12.646 -1.873 -5.837 1.00 0.00 H new ATOM 0 HE3 TRP A 105 8.635 0.557 -3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.044 -1.735 -3.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.800 0.202 -1.076 1.00 0.00 H new ATOM 0 HH2 TRP A 105 11.980 -0.915 -1.010 1.00 0.00 H new ATOM 1652 N ASN A 106 9.173 2.167 -8.379 1.00 0.00 N ATOM 1653 CA ASN A 106 10.009 2.644 -9.450 1.00 0.00 C ATOM 1654 C ASN A 106 10.077 4.173 -9.574 1.00 0.00 C ATOM 1655 O ASN A 106 10.457 4.705 -10.622 1.00 0.00 O ATOM 1656 CB ASN A 106 9.637 2.018 -10.790 1.00 0.00 C ATOM 1657 CG ASN A 106 9.915 0.531 -10.833 1.00 0.00 C ATOM 1658 OD1 ASN A 106 11.033 0.085 -10.573 1.00 0.00 O ATOM 1659 ND2 ASN A 106 8.894 -0.242 -11.171 1.00 0.00 N ATOM 0 H ASN A 106 8.355 1.645 -8.694 1.00 0.00 H new ATOM 0 HA ASN A 106 11.011 2.318 -9.173 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.579 2.192 -10.987 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.195 2.512 -11.585 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.016 -1.253 -11.225 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.986 0.174 -11.378 1.00 0.00 H new ATOM 1666 N SER A 107 9.799 4.860 -8.482 1.00 0.00 N ATOM 1667 CA SER A 107 9.918 6.322 -8.420 1.00 0.00 C ATOM 1668 C SER A 107 10.799 6.711 -7.230 1.00 0.00 C ATOM 1669 O SER A 107 11.147 7.876 -7.028 1.00 0.00 O ATOM 1670 CB SER A 107 8.546 7.002 -8.320 1.00 0.00 C ATOM 1671 OG SER A 107 8.656 8.406 -8.495 1.00 0.00 O ATOM 0 H SER A 107 9.485 4.432 -7.611 1.00 0.00 H new ATOM 0 HA SER A 107 10.380 6.667 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.877 6.590 -9.075 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.101 6.788 -7.349 1.00 0.00 H new ATOM 0 HG SER A 107 9.464 8.729 -8.045 1.00 0.00 H new ATOM 1677 N LEU A 108 11.086 5.699 -6.429 1.00 0.00 N ATOM 1678 CA LEU A 108 11.842 5.824 -5.218 1.00 0.00 C ATOM 1679 C LEU A 108 13.359 5.815 -5.414 1.00 0.00 C ATOM 1680 O LEU A 108 13.874 5.822 -6.535 1.00 0.00 O ATOM 1681 CB LEU A 108 11.424 4.700 -4.311 1.00 0.00 C ATOM 1682 CG LEU A 108 10.136 4.934 -3.533 1.00 0.00 C ATOM 1683 CD1 LEU A 108 8.967 4.389 -4.306 1.00 0.00 C ATOM 1684 CD2 LEU A 108 10.207 4.243 -2.199 1.00 0.00 C ATOM 0 H LEU A 108 10.785 4.743 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 108 11.625 6.802 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.308 3.796 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.229 4.511 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 108 10.009 6.006 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.048 4.559 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.902 4.893 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.102 3.319 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.281 4.416 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.344 3.172 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.047 4.639 -1.628 1.00 0.00 H new ATOM 1696 N SER A 109 14.048 5.847 -4.276 1.00 0.00 N ATOM 1697 CA SER A 109 15.508 5.900 -4.211 1.00 0.00 C ATOM 1698 C SER A 109 16.170 4.552 -4.197 1.00 0.00 C ATOM 1699 O SER A 109 16.023 3.772 -3.269 1.00 0.00 O ATOM 1700 CB SER A 109 15.942 6.643 -2.954 1.00 0.00 C ATOM 1701 OG SER A 109 14.974 7.599 -2.559 1.00 0.00 O ATOM 0 H SER A 109 13.602 5.837 -3.359 1.00 0.00 H new ATOM 0 HA SER A 109 15.822 6.413 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.103 5.930 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.895 7.141 -3.134 1.00 0.00 H new ATOM 0 HG SER A 109 14.485 7.266 -1.778 1.00 0.00 H new ATOM 1707 N LEU A 110 16.911 4.316 -5.251 1.00 0.00 N ATOM 1708 CA LEU A 110 17.658 3.087 -5.412 1.00 0.00 C ATOM 1709 C LEU A 110 18.203 2.578 -4.070 1.00 0.00 C ATOM 1710 O LEU A 110 18.346 1.371 -3.858 1.00 0.00 O ATOM 1711 CB LEU A 110 18.822 3.341 -6.370 1.00 0.00 C ATOM 1712 CG LEU A 110 19.570 4.688 -6.270 1.00 0.00 C ATOM 1713 CD1 LEU A 110 18.957 5.749 -7.170 1.00 0.00 C ATOM 1714 CD2 LEU A 110 19.683 5.198 -4.860 1.00 0.00 C ATOM 0 H LEU A 110 17.015 4.971 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 110 16.989 2.325 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.551 2.544 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.442 3.246 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 110 20.582 4.483 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.515 6.680 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.997 5.414 -8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.919 5.915 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.219 6.147 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.686 5.343 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.227 4.474 -4.254 1.00 0.00 H new ATOM 1726 N ALA A 111 18.486 3.514 -3.173 1.00 0.00 N ATOM 1727 CA ALA A 111 18.996 3.212 -1.853 1.00 0.00 C ATOM 1728 C ALA A 111 17.850 2.884 -0.929 1.00 0.00 C ATOM 1729 O ALA A 111 17.951 2.046 -0.041 1.00 0.00 O ATOM 1730 CB ALA A 111 19.817 4.373 -1.345 1.00 0.00 C ATOM 0 H ALA A 111 18.365 4.511 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 111 19.648 2.340 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.199 4.141 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.652 4.552 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.193 5.265 -1.295 1.00 0.00 H new ATOM 1736 N GLN A 112 16.762 3.572 -1.155 1.00 0.00 N ATOM 1737 CA GLN A 112 15.568 3.401 -0.376 1.00 0.00 C ATOM 1738 C GLN A 112 14.762 2.271 -0.967 1.00 0.00 C ATOM 1739 O GLN A 112 13.836 1.746 -0.354 1.00 0.00 O ATOM 1740 CB GLN A 112 14.784 4.719 -0.405 1.00 0.00 C ATOM 1741 CG GLN A 112 13.558 4.752 0.468 1.00 0.00 C ATOM 1742 CD GLN A 112 13.051 6.167 0.654 1.00 0.00 C ATOM 1743 OE1 GLN A 112 13.240 7.023 -0.211 1.00 0.00 O ATOM 1744 NE2 GLN A 112 12.405 6.421 1.782 1.00 0.00 N ATOM 0 H GLN A 112 16.681 4.273 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 112 15.800 3.152 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.450 5.527 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.485 4.923 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.775 4.139 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.789 4.316 1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.271 5.681 2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.041 7.357 1.962 1.00 0.00 H new ATOM 1753 N ARG A 113 15.274 1.774 -2.090 1.00 0.00 N ATOM 1754 CA ARG A 113 14.760 0.572 -2.686 1.00 0.00 C ATOM 1755 C ARG A 113 15.278 -0.520 -1.777 1.00 0.00 C ATOM 1756 O ARG A 113 14.538 -1.448 -1.443 1.00 0.00 O ATOM 1757 CB ARG A 113 15.270 0.444 -4.115 1.00 0.00 C ATOM 1758 CG ARG A 113 14.168 0.464 -5.165 1.00 0.00 C ATOM 1759 CD ARG A 113 13.276 1.698 -5.046 1.00 0.00 C ATOM 1760 NE ARG A 113 12.473 1.688 -3.822 1.00 0.00 N ATOM 1761 CZ ARG A 113 12.640 2.536 -2.816 1.00 0.00 C ATOM 1762 NH1 ARG A 113 13.490 3.545 -2.927 1.00 0.00 N ATOM 1763 NH2 ARG A 113 11.948 2.389 -1.695 1.00 0.00 N ATOM 0 H ARG A 113 16.050 2.198 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 113 13.674 0.540 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.966 1.258 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 113 15.831 -0.486 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 113 14.615 0.436 -6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.558 -0.434 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.896 2.594 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.615 1.750 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 113 11.739 0.985 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.020 3.673 -3.789 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.615 4.194 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.283 1.621 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 113 12.080 3.044 -0.924 1.00 0.00 H new ATOM 1777 N ARG A 114 16.504 -0.379 -1.290 1.00 0.00 N ATOM 1778 CA ARG A 114 16.988 -1.348 -0.333 1.00 0.00 C ATOM 1779 C ARG A 114 16.401 -1.002 1.019 1.00 0.00 C ATOM 1780 O ARG A 114 15.905 -1.864 1.738 1.00 0.00 O ATOM 1781 CB ARG A 114 18.520 -1.405 -0.235 1.00 0.00 C ATOM 1782 CG ARG A 114 19.179 -0.292 0.560 1.00 0.00 C ATOM 1783 CD ARG A 114 19.101 -0.574 2.048 1.00 0.00 C ATOM 1784 NE ARG A 114 20.001 0.279 2.831 1.00 0.00 N ATOM 1785 CZ ARG A 114 19.882 1.606 2.933 1.00 0.00 C ATOM 1786 NH1 ARG A 114 18.886 2.243 2.329 1.00 0.00 N ATOM 1787 NH2 ARG A 114 20.744 2.294 3.668 1.00 0.00 N ATOM 0 H ARG A 114 17.155 0.368 -1.533 1.00 0.00 H new ATOM 0 HA ARG A 114 16.673 -2.335 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 114 18.800 -2.359 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 114 18.929 -1.394 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.222 -0.192 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 114 18.691 0.657 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.077 -0.425 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 114 19.348 -1.620 2.229 1.00 0.00 H new ATOM 0 HE ARG A 114 20.768 -0.170 3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 114 18.203 1.719 1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 114 18.803 3.256 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 114 21.498 1.811 4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 114 20.653 3.307 3.746 1.00 0.00 H new ATOM 1801 N GLY A 115 16.499 0.280 1.366 1.00 0.00 N ATOM 1802 CA GLY A 115 15.997 0.734 2.646 1.00 0.00 C ATOM 1803 C GLY A 115 14.646 0.170 2.961 1.00 0.00 C ATOM 1804 O GLY A 115 14.416 -0.264 4.090 1.00 0.00 O ATOM 0 H GLY A 115 16.916 1.007 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.699 0.449 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.943 1.823 2.647 1.00 0.00 H new ATOM 1808 N PHE A 116 13.741 0.161 2.019 1.00 0.00 N ATOM 1809 CA PHE A 116 12.434 -0.372 2.333 1.00 0.00 C ATOM 1810 C PHE A 116 12.445 -1.890 2.373 1.00 0.00 C ATOM 1811 O PHE A 116 11.507 -2.514 2.869 1.00 0.00 O ATOM 1812 CB PHE A 116 11.355 0.123 1.365 1.00 0.00 C ATOM 1813 CG PHE A 116 10.743 1.445 1.720 1.00 0.00 C ATOM 1814 CD1 PHE A 116 11.287 2.614 1.234 1.00 0.00 C ATOM 1815 CD2 PHE A 116 9.610 1.517 2.509 1.00 0.00 C ATOM 1816 CE1 PHE A 116 10.719 3.834 1.527 1.00 0.00 C ATOM 1817 CE2 PHE A 116 9.032 2.735 2.805 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.588 3.896 2.312 1.00 0.00 C ATOM 0 H PHE A 116 13.870 0.500 1.066 1.00 0.00 H new ATOM 0 HA PHE A 116 12.184 -0.000 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.789 0.197 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 116 10.564 -0.625 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 116 12.171 2.573 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.172 0.610 2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.160 4.742 1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.146 2.778 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 116 9.139 4.851 2.540 1.00 0.00 H new ATOM 1828 N THR A 117 13.509 -2.480 1.867 1.00 0.00 N ATOM 1829 CA THR A 117 13.633 -3.918 1.878 1.00 0.00 C ATOM 1830 C THR A 117 14.411 -4.367 3.106 1.00 0.00 C ATOM 1831 O THR A 117 14.332 -5.527 3.514 1.00 0.00 O ATOM 1832 CB THR A 117 14.296 -4.416 0.582 1.00 0.00 C ATOM 1833 OG1 THR A 117 13.932 -5.760 0.312 1.00 0.00 O ATOM 1834 CG2 THR A 117 15.810 -4.352 0.587 1.00 0.00 C ATOM 0 H THR A 117 14.296 -1.986 1.445 1.00 0.00 H new ATOM 0 HA THR A 117 12.637 -4.357 1.928 1.00 0.00 H new ATOM 0 HB THR A 117 13.931 -3.734 -0.186 1.00 0.00 H new ATOM 0 HG1 THR A 117 13.004 -5.910 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.193 -4.722 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.130 -3.320 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.198 -4.968 1.398 1.00 0.00 H new ATOM 1842 N LYS A 118 15.200 -3.454 3.669 1.00 0.00 N ATOM 1843 CA LYS A 118 16.024 -3.793 4.815 1.00 0.00 C ATOM 1844 C LYS A 118 16.101 -2.732 5.911 1.00 0.00 C ATOM 1845 O LYS A 118 16.343 -3.050 7.075 1.00 0.00 O ATOM 1846 CB LYS A 118 17.463 -4.024 4.307 1.00 0.00 C ATOM 1847 CG LYS A 118 18.526 -3.115 4.927 1.00 0.00 C ATOM 1848 CD LYS A 118 19.922 -3.712 4.806 1.00 0.00 C ATOM 1849 CE LYS A 118 20.697 -3.108 3.647 1.00 0.00 C ATOM 1850 NZ LYS A 118 21.834 -2.260 4.111 1.00 0.00 N ATOM 0 H LYS A 118 15.282 -2.488 3.352 1.00 0.00 H new ATOM 0 HA LYS A 118 15.557 -4.669 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.737 -5.061 4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.476 -3.887 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.503 -2.142 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.292 -2.947 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 118 20.469 -3.547 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 118 19.845 -4.791 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 118 21.078 -3.907 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 118 20.024 -2.507 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.334 -1.869 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 21.470 -1.482 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 22.491 -2.838 4.673 1.00 0.00 H new ATOM 1864 N THR A 119 16.125 -1.486 5.489 1.00 0.00 N ATOM 1865 CA THR A 119 16.451 -0.388 6.395 1.00 0.00 C ATOM 1866 C THR A 119 15.368 0.474 7.000 1.00 0.00 C ATOM 1867 O THR A 119 15.704 1.304 7.850 1.00 0.00 O ATOM 1868 CB THR A 119 17.304 0.570 5.605 1.00 0.00 C ATOM 1869 OG1 THR A 119 17.607 0.039 4.342 1.00 0.00 O ATOM 1870 CG2 THR A 119 18.638 0.873 6.220 1.00 0.00 C ATOM 0 H THR A 119 15.925 -1.201 4.530 1.00 0.00 H new ATOM 0 HA THR A 119 16.881 -0.910 7.250 1.00 0.00 H new ATOM 0 HB THR A 119 16.702 1.478 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 119 18.500 -0.365 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 119 19.182 1.570 5.583 1.00 0.00 H new ATOM 0 HG22 THR A 119 18.492 1.319 7.204 1.00 0.00 H new ATOM 0 HG23 THR A 119 19.210 -0.049 6.321 1.00 0.00 H new ATOM 1878 N TYR A 120 14.149 0.440 6.540 1.00 0.00 N ATOM 1879 CA TYR A 120 13.222 1.412 7.070 1.00 0.00 C ATOM 1880 C TYR A 120 12.436 0.974 8.290 1.00 0.00 C ATOM 1881 O TYR A 120 12.032 1.824 9.061 1.00 0.00 O ATOM 1882 CB TYR A 120 12.335 1.932 5.962 1.00 0.00 C ATOM 1883 CG TYR A 120 13.017 3.029 5.190 1.00 0.00 C ATOM 1884 CD1 TYR A 120 14.247 2.808 4.591 1.00 0.00 C ATOM 1885 CD2 TYR A 120 12.458 4.294 5.100 1.00 0.00 C ATOM 1886 CE1 TYR A 120 14.902 3.814 3.917 1.00 0.00 C ATOM 1887 CE2 TYR A 120 13.103 5.307 4.423 1.00 0.00 C ATOM 1888 CZ TYR A 120 14.328 5.064 3.834 1.00 0.00 C ATOM 1889 OH TYR A 120 14.982 6.073 3.163 1.00 0.00 O ATOM 0 H TYR A 120 13.784 -0.207 5.841 1.00 0.00 H new ATOM 0 HA TYR A 120 13.833 2.227 7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.075 1.116 5.287 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.402 2.306 6.384 1.00 0.00 H new ATOM 0 HD1 TYR A 120 14.700 1.829 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 120 11.504 4.489 5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 120 15.860 3.625 3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 120 12.652 6.286 4.354 1.00 0.00 H new ATOM 0 HH TYR A 120 15.527 5.689 2.445 1.00 0.00 H new ATOM 1899 N THR A 121 12.213 -0.303 8.514 1.00 0.00 N ATOM 1900 CA THR A 121 11.456 -0.693 9.711 1.00 0.00 C ATOM 1901 C THR A 121 11.925 0.086 10.947 1.00 0.00 C ATOM 1902 O THR A 121 11.238 0.918 11.535 1.00 0.00 O ATOM 1903 CB THR A 121 11.505 -2.204 9.989 1.00 0.00 C ATOM 1904 OG1 THR A 121 12.401 -2.511 11.040 1.00 0.00 O ATOM 1905 CG2 THR A 121 11.907 -3.019 8.799 1.00 0.00 C ATOM 0 H THR A 121 12.525 -1.070 7.918 1.00 0.00 H new ATOM 0 HA THR A 121 10.417 -0.437 9.502 1.00 0.00 H new ATOM 0 HB THR A 121 10.483 -2.465 10.263 1.00 0.00 H new ATOM 0 HG1 THR A 121 12.407 -3.479 11.192 1.00 0.00 H new ATOM 0 HG21 THR A 121 11.920 -4.075 9.069 1.00 0.00 H new ATOM 0 HG22 THR A 121 11.193 -2.860 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 121 12.901 -2.716 8.470 1.00 0.00 H new ATOM 1913 N VAL A 122 13.180 -0.267 11.270 1.00 0.00 N ATOM 1914 CA VAL A 122 13.887 0.329 12.411 1.00 0.00 C ATOM 1915 C VAL A 122 14.500 1.685 12.047 1.00 0.00 C ATOM 1916 O VAL A 122 14.766 2.510 12.922 1.00 0.00 O ATOM 1917 CB VAL A 122 15.028 -0.576 12.948 1.00 0.00 C ATOM 1918 CG1 VAL A 122 15.360 -0.228 14.391 1.00 0.00 C ATOM 1919 CG2 VAL A 122 14.687 -2.057 12.833 1.00 0.00 C ATOM 0 H VAL A 122 13.723 -0.961 10.757 1.00 0.00 H new ATOM 0 HA VAL A 122 13.130 0.449 13.186 1.00 0.00 H new ATOM 0 HB VAL A 122 15.903 -0.387 12.325 1.00 0.00 H new ATOM 0 HG11 VAL A 122 16.162 -0.875 14.746 1.00 0.00 H new ATOM 0 HG12 VAL A 122 15.680 0.812 14.450 1.00 0.00 H new ATOM 0 HG13 VAL A 122 14.476 -0.372 15.013 1.00 0.00 H new ATOM 0 HG21 VAL A 122 15.514 -2.652 13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 122 13.786 -2.269 13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 122 14.516 -2.311 11.787 1.00 0.00 H new ATOM 1929 N GLY A 123 14.743 1.907 10.755 1.00 0.00 N ATOM 1930 CA GLY A 123 15.343 3.163 10.316 1.00 0.00 C ATOM 1931 C GLY A 123 14.396 4.029 9.507 1.00 0.00 C ATOM 1932 O GLY A 123 14.824 4.953 8.815 1.00 0.00 O ATOM 0 H GLY A 123 14.537 1.245 10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.679 3.722 11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.227 2.946 9.717 1.00 0.00 H new ATOM 1936 N CYS A 124 13.118 3.706 9.585 1.00 0.00 N ATOM 1937 CA CYS A 124 12.085 4.424 8.851 1.00 0.00 C ATOM 1938 C CYS A 124 12.332 5.936 8.862 1.00 0.00 C ATOM 1939 O CYS A 124 12.082 6.605 7.859 1.00 0.00 O ATOM 1940 CB CYS A 124 10.728 4.065 9.443 1.00 0.00 C ATOM 1941 SG CYS A 124 10.484 4.617 11.157 1.00 0.00 S ATOM 0 H CYS A 124 12.764 2.940 10.158 1.00 0.00 H new ATOM 0 HA CYS A 124 12.109 4.123 7.804 1.00 0.00 H new ATOM 0 HB2 CYS A 124 9.947 4.501 8.820 1.00 0.00 H new ATOM 0 HB3 CYS A 124 10.602 2.983 9.402 1.00 0.00 H new ATOM 1946 N GLU A 125 12.819 6.459 9.987 1.00 0.00 N ATOM 1947 CA GLU A 125 13.111 7.898 10.144 1.00 0.00 C ATOM 1948 C GLU A 125 13.688 8.521 8.878 1.00 0.00 C ATOM 1949 O GLU A 125 14.905 8.657 8.733 1.00 0.00 O ATOM 1950 CB GLU A 125 14.067 8.132 11.313 1.00 0.00 C ATOM 1951 CG GLU A 125 15.033 6.988 11.571 1.00 0.00 C ATOM 1952 CD GLU A 125 15.591 7.024 12.983 1.00 0.00 C ATOM 1953 OE1 GLU A 125 16.284 8.009 13.322 1.00 0.00 O ATOM 1954 OE2 GLU A 125 15.328 6.077 13.753 1.00 0.00 O ATOM 0 H GLU A 125 13.025 5.905 10.818 1.00 0.00 H new ATOM 0 HA GLU A 125 12.158 8.386 10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 125 14.640 9.039 11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 125 13.482 8.308 12.216 1.00 0.00 H new ATOM 0 HG2 GLU A 125 14.523 6.039 11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 125 15.854 7.038 10.855 1.00 0.00 H new ATOM 1961 N GLU A 126 12.793 8.910 7.976 1.00 0.00 N ATOM 1962 CA GLU A 126 13.182 9.536 6.716 1.00 0.00 C ATOM 1963 C GLU A 126 14.083 10.746 6.959 1.00 0.00 C ATOM 1964 O GLU A 126 15.071 10.909 6.211 1.00 0.00 O ATOM 1965 CB GLU A 126 11.947 9.970 5.918 1.00 0.00 C ATOM 1966 CG GLU A 126 11.009 10.899 6.675 1.00 0.00 C ATOM 1967 CD GLU A 126 10.723 12.187 5.922 1.00 0.00 C ATOM 1968 OE1 GLU A 126 11.523 13.137 6.049 1.00 0.00 O ATOM 1969 OE2 GLU A 126 9.698 12.248 5.209 1.00 0.00 O ATOM 1970 OXT GLU A 126 13.789 11.524 7.892 1.00 0.00 O ATOM 0 H GLU A 126 11.786 8.802 8.095 1.00 0.00 H new ATOM 0 HA GLU A 126 13.736 8.794 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 126 12.275 10.468 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 126 11.393 9.081 5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 126 10.070 10.381 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 126 11.447 11.139 7.644 1.00 0.00 H new TER 1977 GLU A 126