USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 462 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 Single : A 2 ASN : amide:sc=-0.00931 K(o=-0.0093,f=-1.3!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0959 K(o=-0.096,f=-0.65) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS :FLIP no HE2:sc= -1.13 F(o=-3.8,f=-1.1) USER MOD Single : A -5 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.88) USER MOD Single : A -6 LYS NZ :NH3+ -152:sc= -0.154 (180deg=-1.28) USER MOD Single : A -7 MET CE :methyl -127:sc= -0.827 (180deg=-3.45!) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00617 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.103 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.044 K(o=-0.044,f=-0.85) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.207 F(o=-0.81,f=-0.21) USER MOD Single : A 23 GLN : amide:sc= -0.0878 X(o=-0.088,f=-0.45) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 70:sc= 0.36 USER MOD Single : A 31 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.08) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -170:sc= -0.221 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0181 USER MOD Single : A -11 ASN : amide:sc= -1.9 X(o=-1.9,f=-2!) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 49:sc= 0.158 USER MOD Single : A -17 ASN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 11.784 -26.315 18.466 1.00 0.00 N ATOM 2 CA MET A -18 12.876 -25.919 17.539 1.00 0.00 C ATOM 3 C MET A -18 13.820 -24.917 18.194 1.00 0.00 C ATOM 4 O MET A -18 13.425 -23.798 18.522 1.00 0.00 O ATOM 5 CB MET A -18 12.251 -25.311 16.281 1.00 0.00 C ATOM 6 CG MET A -18 11.987 -26.326 15.182 1.00 0.00 C ATOM 7 SD MET A -18 10.822 -25.722 13.945 1.00 0.00 S ATOM 8 CE MET A -18 11.024 -26.952 12.660 1.00 0.00 C ATOM 0 H1 MET A -18 11.158 -26.997 17.993 1.00 0.00 H new ATOM 0 H2 MET A -18 12.192 -26.752 19.317 1.00 0.00 H new ATOM 0 H3 MET A -18 11.237 -25.473 18.738 1.00 0.00 H new ATOM 0 HA MET A -18 13.462 -26.801 17.280 1.00 0.00 H new ATOM 0 HB2 MET A -18 11.312 -24.826 16.550 1.00 0.00 H new ATOM 0 HB3 MET A -18 12.912 -24.535 15.896 1.00 0.00 H new ATOM 0 HG2 MET A -18 12.928 -26.582 14.695 1.00 0.00 H new ATOM 0 HG3 MET A -18 11.598 -27.243 15.625 1.00 0.00 H new ATOM 0 HE1 MET A -18 10.367 -26.715 11.823 1.00 0.00 H new ATOM 0 HE2 MET A -18 12.059 -26.955 12.319 1.00 0.00 H new ATOM 0 HE3 MET A -18 10.769 -27.936 13.055 1.00 0.00 H new ATOM 20 N ASN A -17 15.072 -25.324 18.379 1.00 0.00 N ATOM 21 CA ASN A -17 16.074 -24.460 18.992 1.00 0.00 C ATOM 22 C ASN A -17 16.778 -23.610 17.940 1.00 0.00 C ATOM 23 O ASN A -17 17.557 -24.121 17.135 1.00 0.00 O ATOM 24 CB ASN A -17 17.101 -25.297 19.759 1.00 0.00 C ATOM 25 CG ASN A -17 17.527 -24.643 21.058 1.00 0.00 C ATOM 26 OD1 ASN A -17 17.376 -25.219 22.136 1.00 0.00 O ATOM 27 ND2 ASN A -17 18.063 -23.432 20.963 1.00 0.00 N ATOM 0 H ASN A -17 15.416 -26.247 18.113 1.00 0.00 H new ATOM 0 HA ASN A -17 15.565 -23.795 19.689 1.00 0.00 H new ATOM 0 HB2 ASN A -17 16.679 -26.279 19.972 1.00 0.00 H new ATOM 0 HB3 ASN A -17 17.978 -25.456 19.131 1.00 0.00 H new ATOM 0 HD21 ASN A -17 18.368 -22.942 21.804 1.00 0.00 H new ATOM 0 HD22 ASN A -17 18.169 -22.992 20.049 1.00 0.00 H new ATOM 34 N SER A -16 16.496 -22.312 17.949 1.00 0.00 N ATOM 35 CA SER A -16 17.101 -21.391 16.995 1.00 0.00 C ATOM 36 C SER A -16 18.599 -21.253 17.243 1.00 0.00 C ATOM 37 O SER A -16 19.026 -20.541 18.154 1.00 0.00 O ATOM 38 CB SER A -16 16.429 -20.018 17.085 1.00 0.00 C ATOM 39 OG SER A -16 16.278 -19.612 18.433 1.00 0.00 O ATOM 0 H SER A -16 15.852 -21.874 18.607 1.00 0.00 H new ATOM 0 HA SER A -16 16.954 -21.797 15.994 1.00 0.00 H new ATOM 0 HB2 SER A -16 17.025 -19.282 16.545 1.00 0.00 H new ATOM 0 HB3 SER A -16 15.453 -20.055 16.602 1.00 0.00 H new ATOM 0 HG SER A -16 17.126 -19.734 18.908 1.00 0.00 H new ATOM 45 N VAL A -15 19.396 -21.929 16.423 1.00 0.00 N ATOM 46 CA VAL A -15 20.846 -21.878 16.561 1.00 0.00 C ATOM 47 C VAL A -15 21.436 -20.834 15.626 1.00 0.00 C ATOM 48 O VAL A -15 22.501 -20.278 15.894 1.00 0.00 O ATOM 49 CB VAL A -15 21.494 -23.244 16.270 1.00 0.00 C ATOM 50 CG1 VAL A -15 22.984 -23.207 16.574 1.00 0.00 C ATOM 51 CG2 VAL A -15 20.808 -24.344 17.067 1.00 0.00 C ATOM 0 H VAL A -15 19.064 -22.517 15.658 1.00 0.00 H new ATOM 0 HA VAL A -15 21.060 -21.607 17.595 1.00 0.00 H new ATOM 0 HB VAL A -15 21.369 -23.463 15.210 1.00 0.00 H new ATOM 0 HG11 VAL A -15 23.423 -24.182 16.362 1.00 0.00 H new ATOM 0 HG12 VAL A -15 23.463 -22.450 15.953 1.00 0.00 H new ATOM 0 HG13 VAL A -15 23.135 -22.962 17.625 1.00 0.00 H new ATOM 0 HG21 VAL A -15 21.281 -25.301 16.847 1.00 0.00 H new ATOM 0 HG22 VAL A -15 20.897 -24.131 18.132 1.00 0.00 H new ATOM 0 HG23 VAL A -15 19.754 -24.388 16.793 1.00 0.00 H new ATOM 61 N LYS A -14 20.724 -20.549 14.547 1.00 0.00 N ATOM 62 CA LYS A -14 21.165 -19.544 13.593 1.00 0.00 C ATOM 63 C LYS A -14 20.729 -18.168 14.075 1.00 0.00 C ATOM 64 O LYS A -14 21.430 -17.176 13.882 1.00 0.00 O ATOM 65 CB LYS A -14 20.594 -19.828 12.202 1.00 0.00 C ATOM 66 CG LYS A -14 20.993 -18.795 11.159 1.00 0.00 C ATOM 67 CD LYS A -14 21.999 -19.362 10.167 1.00 0.00 C ATOM 68 CE LYS A -14 23.427 -19.015 10.556 1.00 0.00 C ATOM 69 NZ LYS A -14 24.150 -18.321 9.455 1.00 0.00 N ATOM 0 H LYS A -14 19.840 -20.999 14.310 1.00 0.00 H new ATOM 0 HA LYS A -14 22.252 -19.575 13.521 1.00 0.00 H new ATOM 0 HB2 LYS A -14 20.930 -20.812 11.874 1.00 0.00 H new ATOM 0 HB3 LYS A -14 19.507 -19.867 12.266 1.00 0.00 H new ATOM 0 HG2 LYS A -14 20.106 -18.455 10.625 1.00 0.00 H new ATOM 0 HG3 LYS A -14 21.421 -17.923 11.654 1.00 0.00 H new ATOM 0 HD2 LYS A -14 21.889 -20.445 10.115 1.00 0.00 H new ATOM 0 HD3 LYS A -14 21.788 -18.972 9.171 1.00 0.00 H new ATOM 0 HE2 LYS A -14 23.418 -18.379 11.441 1.00 0.00 H new ATOM 0 HE3 LYS A -14 23.962 -19.926 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 25.120 -18.102 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 24.182 -18.937 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 23.654 -17.438 9.216 1.00 0.00 H new ATOM 83 N GLU A -13 19.569 -18.127 14.727 1.00 0.00 N ATOM 84 CA GLU A -13 19.040 -16.889 15.266 1.00 0.00 C ATOM 85 C GLU A -13 19.730 -16.561 16.579 1.00 0.00 C ATOM 86 O GLU A -13 19.968 -15.396 16.900 1.00 0.00 O ATOM 87 CB GLU A -13 17.528 -16.996 15.474 1.00 0.00 C ATOM 88 CG GLU A -13 16.789 -15.684 15.267 1.00 0.00 C ATOM 89 CD GLU A -13 15.538 -15.578 16.118 1.00 0.00 C ATOM 90 OE1 GLU A -13 15.434 -16.326 17.114 1.00 0.00 O ATOM 91 OE2 GLU A -13 14.665 -14.749 15.791 1.00 0.00 O ATOM 0 H GLU A -13 18.980 -18.943 14.892 1.00 0.00 H new ATOM 0 HA GLU A -13 19.232 -16.087 14.553 1.00 0.00 H new ATOM 0 HB2 GLU A -13 17.127 -17.741 14.787 1.00 0.00 H new ATOM 0 HB3 GLU A -13 17.334 -17.357 16.484 1.00 0.00 H new ATOM 0 HG2 GLU A -13 17.456 -14.855 15.503 1.00 0.00 H new ATOM 0 HG3 GLU A -13 16.518 -15.586 14.216 1.00 0.00 H new ATOM 98 N LEU A -12 20.056 -17.604 17.331 1.00 0.00 N ATOM 99 CA LEU A -12 20.732 -17.444 18.611 1.00 0.00 C ATOM 100 C LEU A -12 22.211 -17.129 18.411 1.00 0.00 C ATOM 101 O LEU A -12 22.851 -16.532 19.278 1.00 0.00 O ATOM 102 CB LEU A -12 20.574 -18.709 19.458 1.00 0.00 C ATOM 103 CG LEU A -12 21.305 -18.686 20.801 1.00 0.00 C ATOM 104 CD1 LEU A -12 20.695 -17.641 21.723 1.00 0.00 C ATOM 105 CD2 LEU A -12 21.267 -20.061 21.452 1.00 0.00 C ATOM 0 H LEU A -12 19.862 -18.572 17.075 1.00 0.00 H new ATOM 0 HA LEU A -12 20.271 -16.607 19.135 1.00 0.00 H new ATOM 0 HB2 LEU A -12 19.512 -18.874 19.643 1.00 0.00 H new ATOM 0 HB3 LEU A -12 20.933 -19.561 18.881 1.00 0.00 H new ATOM 0 HG LEU A -12 22.346 -18.419 20.622 1.00 0.00 H new ATOM 0 HD11 LEU A -12 21.228 -17.639 22.674 1.00 0.00 H new ATOM 0 HD12 LEU A -12 20.774 -16.657 21.261 1.00 0.00 H new ATOM 0 HD13 LEU A -12 19.645 -17.877 21.896 1.00 0.00 H new ATOM 0 HD21 LEU A -12 21.792 -20.026 22.407 1.00 0.00 H new ATOM 0 HD22 LEU A -12 20.231 -20.356 21.618 1.00 0.00 H new ATOM 0 HD23 LEU A -12 21.751 -20.787 20.798 1.00 0.00 H new ATOM 117 N ASN A -11 22.750 -17.534 17.265 1.00 0.00 N ATOM 118 CA ASN A -11 24.152 -17.293 16.957 1.00 0.00 C ATOM 119 C ASN A -11 24.370 -15.863 16.483 1.00 0.00 C ATOM 120 O ASN A -11 25.355 -15.217 16.841 1.00 0.00 O ATOM 121 CB ASN A -11 24.644 -18.277 15.894 1.00 0.00 C ATOM 122 CG ASN A -11 25.286 -19.511 16.499 1.00 0.00 C ATOM 123 OD1 ASN A -11 24.939 -20.640 16.152 1.00 0.00 O ATOM 124 ND2 ASN A -11 26.231 -19.301 17.409 1.00 0.00 N ATOM 0 H ASN A -11 22.236 -18.030 16.536 1.00 0.00 H new ATOM 0 HA ASN A -11 24.726 -17.443 17.872 1.00 0.00 H new ATOM 0 HB2 ASN A -11 23.805 -18.578 15.266 1.00 0.00 H new ATOM 0 HB3 ASN A -11 25.364 -17.777 15.246 1.00 0.00 H new ATOM 0 HD21 ASN A -11 26.700 -20.093 17.849 1.00 0.00 H new ATOM 0 HD22 ASN A -11 26.488 -18.348 17.667 1.00 0.00 H new ATOM 131 N VAL A -10 23.442 -15.381 15.674 1.00 0.00 N ATOM 132 CA VAL A -10 23.515 -14.027 15.137 1.00 0.00 C ATOM 133 C VAL A -10 23.170 -12.988 16.202 1.00 0.00 C ATOM 134 O VAL A -10 23.624 -11.846 16.138 1.00 0.00 O ATOM 135 CB VAL A -10 22.574 -13.849 13.929 1.00 0.00 C ATOM 136 CG1 VAL A -10 21.127 -14.095 14.332 1.00 0.00 C ATOM 137 CG2 VAL A -10 22.740 -12.466 13.317 1.00 0.00 C ATOM 0 H VAL A -10 22.623 -15.909 15.371 1.00 0.00 H new ATOM 0 HA VAL A -10 24.543 -13.873 14.810 1.00 0.00 H new ATOM 0 HB VAL A -10 22.844 -14.587 13.174 1.00 0.00 H new ATOM 0 HG11 VAL A -10 20.480 -13.964 13.464 1.00 0.00 H new ATOM 0 HG12 VAL A -10 21.023 -15.111 14.712 1.00 0.00 H new ATOM 0 HG13 VAL A -10 20.840 -13.386 15.109 1.00 0.00 H new ATOM 0 HG21 VAL A -10 22.067 -12.361 12.466 1.00 0.00 H new ATOM 0 HG22 VAL A -10 22.503 -11.707 14.063 1.00 0.00 H new ATOM 0 HG23 VAL A -10 23.770 -12.337 12.983 1.00 0.00 H new ATOM 147 N LYS A -9 22.365 -13.392 17.180 1.00 0.00 N ATOM 148 CA LYS A -9 21.961 -12.494 18.257 1.00 0.00 C ATOM 149 C LYS A -9 23.177 -11.963 19.013 1.00 0.00 C ATOM 150 O LYS A -9 23.118 -10.900 19.633 1.00 0.00 O ATOM 151 CB LYS A -9 21.017 -13.216 19.222 1.00 0.00 C ATOM 152 CG LYS A -9 19.655 -12.554 19.350 1.00 0.00 C ATOM 153 CD LYS A -9 18.682 -13.078 18.305 1.00 0.00 C ATOM 154 CE LYS A -9 17.939 -14.308 18.803 1.00 0.00 C ATOM 155 NZ LYS A -9 16.567 -13.973 19.278 1.00 0.00 N ATOM 0 H LYS A -9 21.980 -14.334 17.249 1.00 0.00 H new ATOM 0 HA LYS A -9 21.438 -11.647 17.813 1.00 0.00 H new ATOM 0 HB2 LYS A -9 20.882 -14.244 18.884 1.00 0.00 H new ATOM 0 HB3 LYS A -9 21.483 -13.263 20.206 1.00 0.00 H new ATOM 0 HG2 LYS A -9 19.253 -12.735 20.347 1.00 0.00 H new ATOM 0 HG3 LYS A -9 19.762 -11.475 19.241 1.00 0.00 H new ATOM 0 HD2 LYS A -9 17.965 -12.297 18.050 1.00 0.00 H new ATOM 0 HD3 LYS A -9 19.224 -13.324 17.392 1.00 0.00 H new ATOM 0 HE2 LYS A -9 17.876 -15.044 18.001 1.00 0.00 H new ATOM 0 HE3 LYS A -9 18.502 -14.769 19.615 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 16.093 -14.838 19.609 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 16.627 -13.290 20.060 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 16.021 -13.557 18.497 1.00 0.00 H new ATOM 169 N GLU A -8 24.277 -12.708 18.958 1.00 0.00 N ATOM 170 CA GLU A -8 25.505 -12.310 19.638 1.00 0.00 C ATOM 171 C GLU A -8 25.952 -10.921 19.200 1.00 0.00 C ATOM 172 O GLU A -8 25.755 -9.937 19.912 1.00 0.00 O ATOM 173 CB GLU A -8 26.615 -13.329 19.367 1.00 0.00 C ATOM 174 CG GLU A -8 26.658 -14.465 20.375 1.00 0.00 C ATOM 175 CD GLU A -8 26.894 -15.814 19.722 1.00 0.00 C ATOM 176 OE1 GLU A -8 27.507 -15.848 18.636 1.00 0.00 O ATOM 177 OE2 GLU A -8 26.465 -16.835 20.300 1.00 0.00 O ATOM 0 H GLU A -8 24.343 -13.590 18.450 1.00 0.00 H new ATOM 0 HA GLU A -8 25.302 -12.279 20.708 1.00 0.00 H new ATOM 0 HB2 GLU A -8 26.479 -13.745 18.369 1.00 0.00 H new ATOM 0 HB3 GLU A -8 27.576 -12.816 19.370 1.00 0.00 H new ATOM 0 HG2 GLU A -8 27.449 -14.273 21.100 1.00 0.00 H new ATOM 0 HG3 GLU A -8 25.719 -14.492 20.927 1.00 0.00 H new ATOM 184 N MET A -7 26.555 -10.858 18.025 1.00 0.00 N ATOM 185 CA MET A -7 27.043 -9.597 17.471 1.00 0.00 C ATOM 186 C MET A -7 25.952 -8.530 17.483 1.00 0.00 C ATOM 187 O MET A -7 26.229 -7.347 17.692 1.00 0.00 O ATOM 188 CB MET A -7 27.547 -9.807 16.042 1.00 0.00 C ATOM 189 CG MET A -7 26.456 -10.214 15.065 1.00 0.00 C ATOM 190 SD MET A -7 27.106 -11.040 13.600 1.00 0.00 S ATOM 191 CE MET A -7 26.777 -12.754 14.004 1.00 0.00 C ATOM 0 H MET A -7 26.721 -11.669 17.429 1.00 0.00 H new ATOM 0 HA MET A -7 27.866 -9.253 18.097 1.00 0.00 H new ATOM 0 HB2 MET A -7 28.012 -8.886 15.691 1.00 0.00 H new ATOM 0 HB3 MET A -7 28.322 -10.573 16.048 1.00 0.00 H new ATOM 0 HG2 MET A -7 25.752 -10.877 15.568 1.00 0.00 H new ATOM 0 HG3 MET A -7 25.898 -9.329 14.760 1.00 0.00 H new ATOM 0 HE1 MET A -7 27.695 -13.334 13.906 1.00 0.00 H new ATOM 0 HE2 MET A -7 26.412 -12.823 15.029 1.00 0.00 H new ATOM 0 HE3 MET A -7 26.024 -13.150 13.323 1.00 0.00 H new ATOM 201 N LYS A -6 24.712 -8.954 17.256 1.00 0.00 N ATOM 202 CA LYS A -6 23.580 -8.034 17.237 1.00 0.00 C ATOM 203 C LYS A -6 23.522 -7.214 18.522 1.00 0.00 C ATOM 204 O LYS A -6 23.617 -5.987 18.487 1.00 0.00 O ATOM 205 CB LYS A -6 22.270 -8.800 17.043 1.00 0.00 C ATOM 206 CG LYS A -6 21.362 -8.191 15.987 1.00 0.00 C ATOM 207 CD LYS A -6 21.728 -8.673 14.591 1.00 0.00 C ATOM 208 CE LYS A -6 20.671 -9.610 14.027 1.00 0.00 C ATOM 209 NZ LYS A -6 20.204 -10.596 15.040 1.00 0.00 N ATOM 0 H LYS A -6 24.466 -9.929 17.083 1.00 0.00 H new ATOM 0 HA LYS A -6 23.716 -7.351 16.399 1.00 0.00 H new ATOM 0 HB2 LYS A -6 22.498 -9.829 16.765 1.00 0.00 H new ATOM 0 HB3 LYS A -6 21.736 -8.837 17.992 1.00 0.00 H new ATOM 0 HG2 LYS A -6 20.326 -8.451 16.203 1.00 0.00 H new ATOM 0 HG3 LYS A -6 21.433 -7.104 16.028 1.00 0.00 H new ATOM 0 HD2 LYS A -6 21.846 -7.815 13.929 1.00 0.00 H new ATOM 0 HD3 LYS A -6 22.690 -9.185 14.623 1.00 0.00 H new ATOM 0 HE2 LYS A -6 19.822 -9.027 13.670 1.00 0.00 H new ATOM 0 HE3 LYS A -6 21.078 -10.140 13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 19.886 -11.462 14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 20.985 -10.825 15.687 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 19.414 -10.190 15.581 1.00 0.00 H new ATOM 223 N GLN A -5 23.374 -7.893 19.657 1.00 0.00 N ATOM 224 CA GLN A -5 23.314 -7.208 20.938 1.00 0.00 C ATOM 225 C GLN A -5 24.711 -6.948 21.496 1.00 0.00 C ATOM 226 O GLN A -5 24.875 -6.649 22.678 1.00 0.00 O ATOM 227 CB GLN A -5 22.535 -8.055 21.930 1.00 0.00 C ATOM 228 CG GLN A -5 21.030 -7.852 21.863 1.00 0.00 C ATOM 229 CD GLN A -5 20.333 -8.927 21.052 1.00 0.00 C ATOM 230 OE1 GLN A -5 19.930 -9.961 21.586 1.00 0.00 O ATOM 231 NE2 GLN A -5 20.185 -8.688 19.754 1.00 0.00 N ATOM 0 H GLN A -5 23.294 -8.908 19.712 1.00 0.00 H new ATOM 0 HA GLN A -5 22.819 -6.249 20.785 1.00 0.00 H new ATOM 0 HB2 GLN A -5 22.759 -9.106 21.750 1.00 0.00 H new ATOM 0 HB3 GLN A -5 22.879 -7.825 22.938 1.00 0.00 H new ATOM 0 HG2 GLN A -5 20.623 -7.843 22.874 1.00 0.00 H new ATOM 0 HG3 GLN A -5 20.818 -6.877 21.425 1.00 0.00 H new ATOM 0 HE21 GLN A -5 20.534 -7.818 19.353 1.00 0.00 H new ATOM 0 HE22 GLN A -5 19.722 -9.375 19.158 1.00 0.00 H new ATOM 240 N LEU A -4 25.708 -7.042 20.631 1.00 0.00 N ATOM 241 CA LEU A -4 27.090 -6.797 21.017 1.00 0.00 C ATOM 242 C LEU A -4 27.439 -5.330 20.824 1.00 0.00 C ATOM 243 O LEU A -4 28.062 -4.702 21.680 1.00 0.00 O ATOM 244 CB LEU A -4 28.040 -7.676 20.201 1.00 0.00 C ATOM 245 CG LEU A -4 29.307 -8.118 20.936 1.00 0.00 C ATOM 246 CD1 LEU A -4 30.125 -6.910 21.362 1.00 0.00 C ATOM 247 CD2 LEU A -4 28.951 -8.974 22.141 1.00 0.00 C ATOM 0 H LEU A -4 25.585 -7.288 19.649 1.00 0.00 H new ATOM 0 HA LEU A -4 27.203 -7.050 22.071 1.00 0.00 H new ATOM 0 HB2 LEU A -4 27.499 -8.564 19.875 1.00 0.00 H new ATOM 0 HB3 LEU A -4 28.331 -7.133 19.302 1.00 0.00 H new ATOM 0 HG LEU A -4 29.910 -8.717 20.254 1.00 0.00 H new ATOM 0 HD11 LEU A -4 31.022 -7.244 21.883 1.00 0.00 H new ATOM 0 HD12 LEU A -4 30.410 -6.334 20.481 1.00 0.00 H new ATOM 0 HD13 LEU A -4 29.530 -6.284 22.028 1.00 0.00 H new ATOM 0 HD21 LEU A -4 29.864 -9.280 22.652 1.00 0.00 H new ATOM 0 HD22 LEU A -4 28.327 -8.398 22.825 1.00 0.00 H new ATOM 0 HD23 LEU A -4 28.406 -9.859 21.811 1.00 0.00 H new ATOM 259 N HIS A -3 27.030 -4.804 19.682 1.00 0.00 N ATOM 260 CA HIS A -3 27.284 -3.414 19.334 1.00 0.00 C ATOM 261 C HIS A -3 26.316 -2.474 20.049 1.00 0.00 C ATOM 262 O HIS A -3 26.593 -1.286 20.209 1.00 0.00 O ATOM 263 CB HIS A -3 27.191 -3.226 17.814 1.00 0.00 C ATOM 264 CG HIS A -3 25.787 -3.137 17.294 1.00 0.00 C ATOM 265 ND1 HIS A -3 24.904 -4.107 16.955 1.00 0.00 N flip ATOM 266 CD2 HIS A -3 25.144 -1.939 17.063 1.00 0.00 C flip ATOM 267 CE1 HIS A -3 23.757 -3.483 16.531 1.00 0.00 C flip ATOM 268 NE2 HIS A -3 23.927 -2.175 16.607 1.00 0.00 N flip ATOM 0 H HIS A -3 26.515 -5.325 18.972 1.00 0.00 H new ATOM 0 HA HIS A -3 28.292 -3.162 19.663 1.00 0.00 H new ATOM 0 HB2 HIS A -3 27.728 -2.319 17.537 1.00 0.00 H new ATOM 0 HB3 HIS A -3 27.697 -4.058 17.324 1.00 0.00 H new ATOM 0 HD1 HIS A -3 25.062 -5.113 17.005 1.00 0.00 H new ATOM 0 HD2 HIS A -3 25.569 -0.960 17.229 1.00 0.00 H new ATOM 0 HE1 HIS A -3 22.861 -3.981 16.191 1.00 0.00 H new ATOM 277 N GLY A -2 25.177 -3.013 20.470 1.00 0.00 N ATOM 278 CA GLY A -2 24.184 -2.207 21.157 1.00 0.00 C ATOM 279 C GLY A -2 23.457 -1.264 20.219 1.00 0.00 C ATOM 280 O GLY A -2 23.699 -0.057 20.230 1.00 0.00 O ATOM 0 H GLY A -2 24.923 -3.993 20.348 1.00 0.00 H new ATOM 0 HA2 GLY A -2 23.460 -2.862 21.642 1.00 0.00 H new ATOM 0 HA3 GLY A -2 24.669 -1.630 21.944 1.00 0.00 H new ATOM 284 N GLY A -1 22.565 -1.817 19.403 1.00 0.00 N ATOM 285 CA GLY A -1 21.817 -1.005 18.462 1.00 0.00 C ATOM 286 C GLY A -1 20.481 -0.547 19.018 1.00 0.00 C ATOM 287 O GLY A -1 20.158 -0.813 20.175 1.00 0.00 O ATOM 0 H GLY A -1 22.347 -2.813 19.377 1.00 0.00 H new ATOM 0 HA2 GLY A -1 22.411 -0.133 18.189 1.00 0.00 H new ATOM 0 HA3 GLY A -1 21.650 -1.576 17.548 1.00 0.00 H new ATOM 291 N VAL A 1 19.706 0.144 18.188 1.00 0.00 N ATOM 292 CA VAL A 1 18.398 0.642 18.596 1.00 0.00 C ATOM 293 C VAL A 1 17.323 -0.424 18.409 1.00 0.00 C ATOM 294 O VAL A 1 17.510 -1.383 17.660 1.00 0.00 O ATOM 295 CB VAL A 1 18.010 1.905 17.799 1.00 0.00 C ATOM 296 CG1 VAL A 1 17.905 1.592 16.314 1.00 0.00 C ATOM 297 CG2 VAL A 1 16.708 2.492 18.321 1.00 0.00 C ATOM 0 H VAL A 1 19.962 0.372 17.227 1.00 0.00 H new ATOM 0 HA VAL A 1 18.466 0.897 19.653 1.00 0.00 H new ATOM 0 HB VAL A 1 18.795 2.649 17.935 1.00 0.00 H new ATOM 0 HG11 VAL A 1 17.630 2.496 15.770 1.00 0.00 H new ATOM 0 HG12 VAL A 1 18.866 1.227 15.950 1.00 0.00 H new ATOM 0 HG13 VAL A 1 17.144 0.828 16.156 1.00 0.00 H new ATOM 0 HG21 VAL A 1 16.453 3.382 17.745 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.911 1.755 18.222 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.825 2.761 19.371 1.00 0.00 H new ATOM 307 N ASN A 2 16.196 -0.251 19.094 1.00 0.00 N ATOM 308 CA ASN A 2 15.093 -1.200 19.001 1.00 0.00 C ATOM 309 C ASN A 2 13.769 -0.477 18.761 1.00 0.00 C ATOM 310 O ASN A 2 12.805 -0.665 19.503 1.00 0.00 O ATOM 311 CB ASN A 2 15.009 -2.041 20.277 1.00 0.00 C ATOM 312 CG ASN A 2 15.853 -3.297 20.198 1.00 0.00 C ATOM 313 OD1 ASN A 2 16.893 -3.321 19.540 1.00 0.00 O ATOM 314 ND2 ASN A 2 15.408 -4.351 20.873 1.00 0.00 N ATOM 0 H ASN A 2 16.024 0.537 19.719 1.00 0.00 H new ATOM 0 HA ASN A 2 15.282 -1.858 18.153 1.00 0.00 H new ATOM 0 HB2 ASN A 2 15.335 -1.441 21.127 1.00 0.00 H new ATOM 0 HB3 ASN A 2 13.970 -2.316 20.460 1.00 0.00 H new ATOM 0 HD21 ASN A 2 15.934 -5.225 20.859 1.00 0.00 H new ATOM 0 HD22 ASN A 2 14.540 -4.286 21.405 1.00 0.00 H new ATOM 321 N TYR A 3 13.735 0.349 17.717 1.00 0.00 N ATOM 322 CA TYR A 3 12.535 1.109 17.363 1.00 0.00 C ATOM 323 C TYR A 3 11.870 1.712 18.599 1.00 0.00 C ATOM 324 O TYR A 3 10.889 1.174 19.114 1.00 0.00 O ATOM 325 CB TYR A 3 11.537 0.222 16.611 1.00 0.00 C ATOM 326 CG TYR A 3 11.321 -1.135 17.244 1.00 0.00 C ATOM 327 CD1 TYR A 3 12.154 -2.205 16.939 1.00 0.00 C ATOM 328 CD2 TYR A 3 10.285 -1.346 18.144 1.00 0.00 C ATOM 329 CE1 TYR A 3 11.959 -3.446 17.513 1.00 0.00 C ATOM 330 CE2 TYR A 3 10.085 -2.584 18.723 1.00 0.00 C ATOM 331 CZ TYR A 3 10.924 -3.630 18.404 1.00 0.00 C ATOM 332 OH TYR A 3 10.728 -4.866 18.980 1.00 0.00 O ATOM 0 H TYR A 3 14.529 0.510 17.097 1.00 0.00 H new ATOM 0 HA TYR A 3 12.845 1.926 16.712 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.580 0.740 16.551 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.889 0.083 15.589 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.967 -2.064 16.242 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.625 -0.529 18.395 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.614 -4.268 17.265 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.275 -2.732 19.422 1.00 0.00 H new ATOM 0 HH TYR A 3 9.958 -4.827 19.585 1.00 0.00 H new ATOM 342 N GLY A 4 12.410 2.831 19.069 1.00 0.00 N ATOM 343 CA GLY A 4 11.857 3.487 20.239 1.00 0.00 C ATOM 344 C GLY A 4 12.559 4.793 20.558 1.00 0.00 C ATOM 345 O GLY A 4 13.415 4.845 21.441 1.00 0.00 O ATOM 0 H GLY A 4 13.221 3.296 18.661 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.796 3.678 20.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.933 2.818 21.096 1.00 0.00 H new ATOM 349 N ASN A 5 12.197 5.850 19.837 1.00 0.00 N ATOM 350 CA ASN A 5 12.799 7.162 20.050 1.00 0.00 C ATOM 351 C ASN A 5 12.607 7.628 21.491 1.00 0.00 C ATOM 352 O ASN A 5 13.362 8.462 21.990 1.00 0.00 O ATOM 353 CB ASN A 5 12.198 8.185 19.082 1.00 0.00 C ATOM 354 CG ASN A 5 13.229 8.747 18.122 1.00 0.00 C ATOM 355 OD1 ASN A 5 14.388 8.949 18.486 1.00 0.00 O ATOM 356 ND2 ASN A 5 12.812 9.002 16.887 1.00 0.00 N ATOM 0 H ASN A 5 11.491 5.824 19.101 1.00 0.00 H new ATOM 0 HA ASN A 5 13.869 7.077 19.859 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.395 7.716 18.514 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.752 9.001 19.651 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.461 9.380 16.197 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.842 8.819 16.628 1.00 0.00 H new ATOM 363 N GLY A 6 11.596 7.080 22.153 1.00 0.00 N ATOM 364 CA GLY A 6 11.325 7.446 23.531 1.00 0.00 C ATOM 365 C GLY A 6 10.692 8.819 23.658 1.00 0.00 C ATOM 366 O GLY A 6 11.380 9.804 23.925 1.00 0.00 O ATOM 0 H GLY A 6 10.958 6.388 21.760 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.664 6.703 23.977 1.00 0.00 H new ATOM 0 HA3 GLY A 6 12.256 7.426 24.098 1.00 0.00 H new ATOM 370 N VAL A 7 9.378 8.883 23.470 1.00 0.00 N ATOM 371 CA VAL A 7 8.652 10.145 23.571 1.00 0.00 C ATOM 372 C VAL A 7 8.296 10.449 25.022 1.00 0.00 C ATOM 373 O VAL A 7 8.316 9.560 25.874 1.00 0.00 O ATOM 374 CB VAL A 7 7.360 10.125 22.730 1.00 0.00 C ATOM 375 CG1 VAL A 7 6.813 11.534 22.558 1.00 0.00 C ATOM 376 CG2 VAL A 7 7.608 9.475 21.377 1.00 0.00 C ATOM 0 H VAL A 7 8.794 8.077 23.247 1.00 0.00 H new ATOM 0 HA VAL A 7 9.310 10.923 23.184 1.00 0.00 H new ATOM 0 HB VAL A 7 6.616 9.531 23.260 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.901 11.500 21.962 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.591 11.960 23.536 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.554 12.153 22.052 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.683 9.471 20.800 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.370 10.037 20.837 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.949 8.450 21.523 1.00 0.00 H new ATOM 386 N SER A 8 7.971 11.707 25.300 1.00 0.00 N ATOM 387 CA SER A 8 7.614 12.117 26.653 1.00 0.00 C ATOM 388 C SER A 8 6.497 13.155 26.640 1.00 0.00 C ATOM 389 O SER A 8 6.680 14.274 26.159 1.00 0.00 O ATOM 390 CB SER A 8 8.838 12.681 27.377 1.00 0.00 C ATOM 391 OG SER A 8 9.917 11.764 27.345 1.00 0.00 O ATOM 0 H SER A 8 7.947 12.457 24.610 1.00 0.00 H new ATOM 0 HA SER A 8 7.256 11.235 27.185 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.140 13.619 26.911 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.580 12.908 28.411 1.00 0.00 H new ATOM 0 HG SER A 8 10.687 12.149 27.813 1.00 0.00 H new ATOM 397 N CYS A 9 5.342 12.777 27.177 1.00 0.00 N ATOM 398 CA CYS A 9 4.192 13.672 27.237 1.00 0.00 C ATOM 399 C CYS A 9 4.056 14.273 28.632 1.00 0.00 C ATOM 400 O CYS A 9 3.830 13.555 29.607 1.00 0.00 O ATOM 401 CB CYS A 9 2.906 12.923 26.868 1.00 0.00 C ATOM 402 SG CYS A 9 3.130 11.604 25.628 1.00 0.00 S ATOM 0 H CYS A 9 5.177 11.854 27.578 1.00 0.00 H new ATOM 0 HA CYS A 9 4.350 14.476 26.518 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.482 12.486 27.772 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.178 13.641 26.489 1.00 0.00 H new ATOM 407 N SER A 10 4.199 15.591 28.724 1.00 0.00 N ATOM 408 CA SER A 10 4.093 16.280 30.009 1.00 0.00 C ATOM 409 C SER A 10 3.397 17.628 29.857 1.00 0.00 C ATOM 410 O SER A 10 3.929 18.548 29.235 1.00 0.00 O ATOM 411 CB SER A 10 5.480 16.478 30.622 1.00 0.00 C ATOM 412 OG SER A 10 6.271 15.311 30.483 1.00 0.00 O ATOM 0 H SER A 10 4.388 16.202 27.930 1.00 0.00 H new ATOM 0 HA SER A 10 3.493 15.657 30.672 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.978 17.318 30.138 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.382 16.731 31.678 1.00 0.00 H new ATOM 0 HG SER A 10 7.153 15.464 30.882 1.00 0.00 H new ATOM 418 N LYS A 11 2.204 17.738 30.437 1.00 0.00 N ATOM 419 CA LYS A 11 1.426 18.971 30.380 1.00 0.00 C ATOM 420 C LYS A 11 1.107 19.386 28.945 1.00 0.00 C ATOM 421 O LYS A 11 0.529 20.448 28.713 1.00 0.00 O ATOM 422 CB LYS A 11 2.189 20.083 31.084 1.00 0.00 C ATOM 423 CG LYS A 11 1.295 21.162 31.675 1.00 0.00 C ATOM 424 CD LYS A 11 1.679 22.546 31.172 1.00 0.00 C ATOM 425 CE LYS A 11 1.680 23.569 32.298 1.00 0.00 C ATOM 426 NZ LYS A 11 0.306 23.832 32.809 1.00 0.00 N ATOM 0 H LYS A 11 1.754 16.983 30.954 1.00 0.00 H new ATOM 0 HA LYS A 11 0.476 18.790 30.883 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.793 19.649 31.880 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.878 20.543 30.376 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.256 20.956 31.417 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.364 21.137 32.763 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.667 22.506 30.714 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.981 22.859 30.396 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.309 23.211 33.113 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.120 24.501 31.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.349 24.534 33.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.287 24.198 32.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.104 22.948 33.172 1.00 0.00 H new ATOM 440 N THR A 12 1.488 18.552 27.988 1.00 0.00 N ATOM 441 CA THR A 12 1.248 18.832 26.588 1.00 0.00 C ATOM 442 C THR A 12 1.129 17.525 25.805 1.00 0.00 C ATOM 443 O THR A 12 1.438 16.454 26.328 1.00 0.00 O ATOM 444 CB THR A 12 2.379 19.720 26.052 1.00 0.00 C ATOM 445 OG1 THR A 12 1.983 21.080 26.057 1.00 0.00 O ATOM 446 CG2 THR A 12 2.834 19.388 24.646 1.00 0.00 C ATOM 0 H THR A 12 1.969 17.669 28.163 1.00 0.00 H new ATOM 0 HA THR A 12 0.307 19.368 26.468 1.00 0.00 H new ATOM 0 HB THR A 12 3.216 19.530 26.724 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.426 21.256 26.844 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.635 20.067 24.353 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.199 18.361 24.615 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.996 19.497 23.957 1.00 0.00 H new ATOM 454 N LYS A 13 0.687 17.614 24.555 1.00 0.00 N ATOM 455 CA LYS A 13 0.541 16.432 23.713 1.00 0.00 C ATOM 456 C LYS A 13 1.855 15.656 23.636 1.00 0.00 C ATOM 457 O LYS A 13 2.801 15.946 24.370 1.00 0.00 O ATOM 458 CB LYS A 13 0.085 16.832 22.308 1.00 0.00 C ATOM 459 CG LYS A 13 1.102 17.673 21.553 1.00 0.00 C ATOM 460 CD LYS A 13 0.425 18.605 20.561 1.00 0.00 C ATOM 461 CE LYS A 13 1.389 19.059 19.475 1.00 0.00 C ATOM 462 NZ LYS A 13 0.714 19.899 18.445 1.00 0.00 N ATOM 0 H LYS A 13 0.424 18.490 24.103 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.216 15.787 24.160 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.126 15.930 21.733 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.849 17.388 22.383 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.690 18.258 22.261 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.796 17.020 21.025 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.425 18.097 20.105 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.032 19.475 21.087 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.204 19.624 19.927 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.833 18.186 18.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.406 20.187 17.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.047 19.352 17.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.312 20.745 18.896 1.00 0.00 H new ATOM 476 N CYS A 14 1.915 14.676 22.745 1.00 0.00 N ATOM 477 CA CYS A 14 3.084 13.874 22.564 1.00 0.00 C ATOM 478 C CYS A 14 3.667 14.171 21.189 1.00 0.00 C ATOM 479 O CYS A 14 3.760 15.326 20.774 1.00 0.00 O ATOM 480 CB CYS A 14 2.730 12.390 22.728 1.00 0.00 C ATOM 481 SG CYS A 14 1.739 12.026 24.212 1.00 0.00 S ATOM 0 H CYS A 14 1.140 14.425 22.130 1.00 0.00 H new ATOM 0 HA CYS A 14 3.834 14.112 23.318 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.181 12.058 21.847 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.652 11.809 22.767 1.00 0.00 H new ATOM 486 N SER A 15 4.054 13.127 20.496 1.00 0.00 N ATOM 487 CA SER A 15 4.632 13.254 19.164 1.00 0.00 C ATOM 488 C SER A 15 4.291 12.041 18.303 1.00 0.00 C ATOM 489 O SER A 15 4.512 10.899 18.706 1.00 0.00 O ATOM 490 CB SER A 15 6.151 13.416 19.258 1.00 0.00 C ATOM 491 OG SER A 15 6.693 13.865 18.028 1.00 0.00 O ATOM 0 H SER A 15 3.981 12.166 20.831 1.00 0.00 H new ATOM 0 HA SER A 15 4.206 14.141 18.694 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.396 14.126 20.048 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.605 12.464 19.533 1.00 0.00 H new ATOM 0 HG SER A 15 7.664 13.962 18.115 1.00 0.00 H new ATOM 497 N VAL A 16 3.756 12.299 17.113 1.00 0.00 N ATOM 498 CA VAL A 16 3.389 11.229 16.193 1.00 0.00 C ATOM 499 C VAL A 16 4.630 10.598 15.570 1.00 0.00 C ATOM 500 O VAL A 16 5.705 11.200 15.560 1.00 0.00 O ATOM 501 CB VAL A 16 2.469 11.746 15.070 1.00 0.00 C ATOM 502 CG1 VAL A 16 1.965 10.592 14.216 1.00 0.00 C ATOM 503 CG2 VAL A 16 1.306 12.533 15.654 1.00 0.00 C ATOM 0 H VAL A 16 3.567 13.239 16.764 1.00 0.00 H new ATOM 0 HA VAL A 16 2.853 10.478 16.773 1.00 0.00 H new ATOM 0 HB VAL A 16 3.047 12.414 14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.317 10.978 13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.813 10.074 13.767 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.404 9.896 14.839 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.667 12.890 14.847 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.728 11.890 16.317 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.689 13.384 16.217 1.00 0.00 H new ATOM 513 N ASN A 17 4.477 9.384 15.053 1.00 0.00 N ATOM 514 CA ASN A 17 5.589 8.675 14.430 1.00 0.00 C ATOM 515 C ASN A 17 5.623 8.923 12.924 1.00 0.00 C ATOM 516 O ASN A 17 5.842 8.002 12.138 1.00 0.00 O ATOM 517 CB ASN A 17 5.483 7.175 14.711 1.00 0.00 C ATOM 518 CG ASN A 17 5.571 6.857 16.191 1.00 0.00 C ATOM 519 OD1 ASN A 17 4.724 7.275 16.979 1.00 0.00 O ATOM 520 ND2 ASN A 17 6.601 6.111 16.575 1.00 0.00 N ATOM 0 H ASN A 17 3.595 8.871 15.053 1.00 0.00 H new ATOM 0 HA ASN A 17 6.516 9.055 14.860 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.538 6.800 14.317 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.279 6.652 14.182 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.713 5.863 17.558 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.280 5.786 15.887 1.00 0.00 H new ATOM 527 N TRP A 18 5.405 10.174 12.528 1.00 0.00 N ATOM 528 CA TRP A 18 5.413 10.542 11.118 1.00 0.00 C ATOM 529 C TRP A 18 6.823 10.460 10.532 1.00 0.00 C ATOM 530 O TRP A 18 7.001 10.514 9.315 1.00 0.00 O ATOM 531 CB TRP A 18 4.850 11.953 10.934 1.00 0.00 C ATOM 532 CG TRP A 18 3.700 12.010 9.976 1.00 0.00 C ATOM 533 CD1 TRP A 18 2.371 12.017 10.289 1.00 0.00 C ATOM 534 CD2 TRP A 18 3.777 12.068 8.547 1.00 0.00 C ATOM 535 NE1 TRP A 18 1.616 12.074 9.143 1.00 0.00 N ATOM 536 CE2 TRP A 18 2.456 12.107 8.060 1.00 0.00 C ATOM 537 CE3 TRP A 18 4.834 12.092 7.632 1.00 0.00 C ATOM 538 CZ2 TRP A 18 2.167 12.167 6.699 1.00 0.00 C ATOM 539 CZ3 TRP A 18 4.544 12.152 6.282 1.00 0.00 C ATOM 540 CH2 TRP A 18 3.220 12.189 5.826 1.00 0.00 C ATOM 0 H TRP A 18 5.221 10.949 13.165 1.00 0.00 H new ATOM 0 HA TRP A 18 4.781 9.833 10.584 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.528 12.337 11.902 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.644 12.610 10.578 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.972 11.983 11.292 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.597 12.089 9.104 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.858 12.064 7.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.147 12.195 6.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.352 12.171 5.566 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.027 12.236 4.764 1.00 0.00 H new ATOM 551 N GLY A 19 7.822 10.324 11.402 1.00 0.00 N ATOM 552 CA GLY A 19 9.197 10.233 10.946 1.00 0.00 C ATOM 553 C GLY A 19 9.763 8.836 11.109 1.00 0.00 C ATOM 554 O GLY A 19 10.313 8.263 10.167 1.00 0.00 O ATOM 0 H GLY A 19 7.702 10.275 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.250 10.525 9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.811 10.939 11.505 1.00 0.00 H new ATOM 558 N GLN A 20 9.619 8.280 12.308 1.00 0.00 N ATOM 559 CA GLN A 20 10.113 6.938 12.582 1.00 0.00 C ATOM 560 C GLN A 20 9.539 5.952 11.576 1.00 0.00 C ATOM 561 O GLN A 20 10.276 5.365 10.784 1.00 0.00 O ATOM 562 CB GLN A 20 9.753 6.514 14.008 1.00 0.00 C ATOM 563 CG GLN A 20 10.887 5.817 14.741 1.00 0.00 C ATOM 564 CD GLN A 20 10.498 5.384 16.141 1.00 0.00 C ATOM 565 OE1 GLN A 20 10.121 6.347 16.974 1.00 0.00 O flip ATOM 566 NE2 GLN A 20 10.537 4.199 16.470 1.00 0.00 N flip ATOM 0 H GLN A 20 9.167 8.736 13.100 1.00 0.00 H new ATOM 0 HA GLN A 20 11.199 6.942 12.488 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.453 7.395 14.575 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.891 5.848 13.973 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.202 4.944 14.169 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.745 6.488 14.797 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.833 3.492 15.797 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.273 3.923 17.416 1.00 0.00 H new ATOM 575 N ALA A 21 8.218 5.777 11.594 1.00 0.00 N ATOM 576 CA ALA A 21 7.578 4.866 10.654 1.00 0.00 C ATOM 577 C ALA A 21 7.716 5.333 9.219 1.00 0.00 C ATOM 578 O ALA A 21 7.324 4.641 8.280 1.00 0.00 O ATOM 579 CB ALA A 21 6.129 4.609 11.013 1.00 0.00 C ATOM 0 H ALA A 21 7.582 6.246 12.238 1.00 0.00 H new ATOM 0 HA ALA A 21 8.108 3.917 10.735 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.690 3.925 10.287 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.074 4.167 12.008 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.579 5.550 11.003 1.00 0.00 H new ATOM 585 N PHE A 22 8.321 6.485 9.058 1.00 0.00 N ATOM 586 CA PHE A 22 8.576 7.032 7.740 1.00 0.00 C ATOM 587 C PHE A 22 9.687 6.206 7.126 1.00 0.00 C ATOM 588 O PHE A 22 9.648 5.842 5.950 1.00 0.00 O ATOM 589 CB PHE A 22 8.980 8.505 7.816 1.00 0.00 C ATOM 590 CG PHE A 22 8.681 9.274 6.561 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.373 9.559 6.203 1.00 0.00 C ATOM 592 CD2 PHE A 22 9.708 9.709 5.738 1.00 0.00 C ATOM 593 CE1 PHE A 22 7.095 10.266 5.048 1.00 0.00 C ATOM 594 CE2 PHE A 22 9.435 10.415 4.581 1.00 0.00 C ATOM 595 CZ PHE A 22 8.127 10.694 4.236 1.00 0.00 C ATOM 0 H PHE A 22 8.650 7.068 9.827 1.00 0.00 H new ATOM 0 HA PHE A 22 7.673 6.988 7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.461 8.973 8.652 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.047 8.570 8.027 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.562 9.225 6.833 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.733 9.494 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.071 10.484 4.781 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.244 10.748 3.948 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.912 11.246 3.333 1.00 0.00 H new ATOM 605 N GLN A 23 10.656 5.874 7.972 1.00 0.00 N ATOM 606 CA GLN A 23 11.771 5.036 7.576 1.00 0.00 C ATOM 607 C GLN A 23 11.287 3.593 7.443 1.00 0.00 C ATOM 608 O GLN A 23 11.864 2.795 6.704 1.00 0.00 O ATOM 609 CB GLN A 23 12.893 5.129 8.615 1.00 0.00 C ATOM 610 CG GLN A 23 14.121 5.876 8.122 1.00 0.00 C ATOM 611 CD GLN A 23 13.788 7.252 7.579 1.00 0.00 C ATOM 612 OE1 GLN A 23 12.877 7.921 8.067 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.527 7.682 6.563 1.00 0.00 N ATOM 0 H GLN A 23 10.687 6.178 8.945 1.00 0.00 H new ATOM 0 HA GLN A 23 12.163 5.375 6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.510 5.625 9.507 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.186 4.122 8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.834 5.975 8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.609 5.291 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.272 7.094 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.349 8.600 6.156 1.00 0.00 H new ATOM 622 N GLU A 24 10.205 3.276 8.162 1.00 0.00 N ATOM 623 CA GLU A 24 9.616 1.943 8.129 1.00 0.00 C ATOM 624 C GLU A 24 9.119 1.615 6.727 1.00 0.00 C ATOM 625 O GLU A 24 9.461 0.577 6.160 1.00 0.00 O ATOM 626 CB GLU A 24 8.458 1.844 9.123 1.00 0.00 C ATOM 627 CG GLU A 24 8.888 1.413 10.516 1.00 0.00 C ATOM 628 CD GLU A 24 8.515 -0.023 10.824 1.00 0.00 C ATOM 629 OE1 GLU A 24 7.307 -0.303 10.980 1.00 0.00 O ATOM 630 OE2 GLU A 24 9.430 -0.870 10.908 1.00 0.00 O ATOM 0 H GLU A 24 9.721 3.932 8.775 1.00 0.00 H new ATOM 0 HA GLU A 24 10.386 1.224 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.962 2.812 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.723 1.134 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.967 1.533 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.428 2.070 11.254 1.00 0.00 H new ATOM 637 N ARG A 25 8.312 2.515 6.173 1.00 0.00 N ATOM 638 CA ARG A 25 7.764 2.333 4.836 1.00 0.00 C ATOM 639 C ARG A 25 8.871 2.359 3.790 1.00 0.00 C ATOM 640 O ARG A 25 8.763 1.729 2.739 1.00 0.00 O ATOM 641 CB ARG A 25 6.730 3.419 4.534 1.00 0.00 C ATOM 642 CG ARG A 25 5.382 3.178 5.198 1.00 0.00 C ATOM 643 CD ARG A 25 4.264 3.064 4.173 1.00 0.00 C ATOM 644 NE ARG A 25 3.696 4.367 3.836 1.00 0.00 N ATOM 645 CZ ARG A 25 2.500 4.532 3.274 1.00 0.00 C ATOM 646 NH1 ARG A 25 1.743 3.480 2.983 1.00 0.00 N ATOM 647 NH2 ARG A 25 2.059 5.753 3.001 1.00 0.00 N ATOM 0 H ARG A 25 8.023 3.379 6.632 1.00 0.00 H new ATOM 0 HA ARG A 25 7.276 1.359 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.120 4.382 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.588 3.484 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.426 2.265 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.164 3.995 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.648 2.591 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.479 2.416 4.563 1.00 0.00 H new ATOM 0 HE ARG A 25 4.248 5.199 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.077 2.539 3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.828 3.614 2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.636 6.565 3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.143 5.880 2.571 1.00 0.00 H new ATOM 661 N TYR A 26 9.935 3.090 4.092 1.00 0.00 N ATOM 662 CA TYR A 26 11.069 3.199 3.186 1.00 0.00 C ATOM 663 C TYR A 26 11.763 1.850 3.035 1.00 0.00 C ATOM 664 O TYR A 26 12.105 1.436 1.927 1.00 0.00 O ATOM 665 CB TYR A 26 12.060 4.246 3.698 1.00 0.00 C ATOM 666 CG TYR A 26 12.583 5.164 2.615 1.00 0.00 C ATOM 667 CD1 TYR A 26 13.258 4.655 1.513 1.00 0.00 C ATOM 668 CD2 TYR A 26 12.402 6.538 2.698 1.00 0.00 C ATOM 669 CE1 TYR A 26 13.737 5.492 0.522 1.00 0.00 C ATOM 670 CE2 TYR A 26 12.878 7.381 1.711 1.00 0.00 C ATOM 671 CZ TYR A 26 13.544 6.854 0.626 1.00 0.00 C ATOM 672 OH TYR A 26 14.020 7.689 -0.358 1.00 0.00 O ATOM 0 H TYR A 26 10.036 3.617 4.959 1.00 0.00 H new ATOM 0 HA TYR A 26 10.700 3.512 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.576 4.846 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.901 3.738 4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.411 3.589 1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.881 6.955 3.547 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.260 5.081 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.729 8.448 1.790 1.00 0.00 H new ATOM 0 HH TYR A 26 13.800 8.617 -0.134 1.00 0.00 H new ATOM 682 N THR A 27 11.965 1.169 4.158 1.00 0.00 N ATOM 683 CA THR A 27 12.613 -0.137 4.153 1.00 0.00 C ATOM 684 C THR A 27 11.796 -1.141 3.350 1.00 0.00 C ATOM 685 O THR A 27 12.347 -1.946 2.598 1.00 0.00 O ATOM 686 CB THR A 27 12.801 -0.640 5.586 1.00 0.00 C ATOM 687 OG1 THR A 27 13.560 0.284 6.346 1.00 0.00 O ATOM 688 CG2 THR A 27 13.498 -1.981 5.665 1.00 0.00 C ATOM 0 H THR A 27 11.689 1.500 5.083 1.00 0.00 H new ATOM 0 HA THR A 27 13.591 -0.032 3.683 1.00 0.00 H new ATOM 0 HB THR A 27 11.793 -0.749 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.029 1.092 6.504 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.599 -2.278 6.709 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.911 -2.728 5.130 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.487 -1.904 5.213 1.00 0.00 H new ATOM 696 N ALA A 28 10.478 -1.087 3.510 1.00 0.00 N ATOM 697 CA ALA A 28 9.583 -1.988 2.798 1.00 0.00 C ATOM 698 C ALA A 28 9.647 -1.744 1.295 1.00 0.00 C ATOM 699 O ALA A 28 9.482 -2.666 0.497 1.00 0.00 O ATOM 700 CB ALA A 28 8.157 -1.827 3.302 1.00 0.00 C ATOM 0 H ALA A 28 10.006 -0.427 4.128 1.00 0.00 H new ATOM 0 HA ALA A 28 9.908 -3.011 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.500 -2.507 2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.119 -2.058 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.828 -0.800 3.141 1.00 0.00 H new ATOM 706 N GLY A 29 9.889 -0.493 0.915 1.00 0.00 N ATOM 707 CA GLY A 29 9.972 -0.147 -0.491 1.00 0.00 C ATOM 708 C GLY A 29 11.205 -0.723 -1.156 1.00 0.00 C ATOM 709 O GLY A 29 11.119 -1.315 -2.232 1.00 0.00 O ATOM 0 H GLY A 29 10.029 0.287 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.082 -0.511 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.980 0.938 -0.595 1.00 0.00 H new ATOM 713 N ILE A 30 12.357 -0.552 -0.514 1.00 0.00 N ATOM 714 CA ILE A 30 13.612 -1.063 -1.051 1.00 0.00 C ATOM 715 C ILE A 30 13.561 -2.579 -1.205 1.00 0.00 C ATOM 716 O ILE A 30 14.173 -3.142 -2.112 1.00 0.00 O ATOM 717 CB ILE A 30 14.805 -0.683 -0.152 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.808 0.825 0.113 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.116 -1.119 -0.795 1.00 0.00 C ATOM 720 CD1 ILE A 30 16.023 1.306 0.874 1.00 0.00 C ATOM 0 H ILE A 30 12.446 -0.064 0.377 1.00 0.00 H new ATOM 0 HA ILE A 30 13.751 -0.606 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 30 14.704 -1.201 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.755 1.352 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.911 1.088 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.948 -0.843 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.110 -2.200 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.229 -0.626 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.955 2.383 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.067 0.807 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.924 1.075 0.305 1.00 0.00 H new ATOM 732 N ASN A 31 12.823 -3.233 -0.313 1.00 0.00 N ATOM 733 CA ASN A 31 12.686 -4.686 -0.350 1.00 0.00 C ATOM 734 C ASN A 31 12.184 -5.145 -1.715 1.00 0.00 C ATOM 735 O ASN A 31 12.896 -5.825 -2.453 1.00 0.00 O ATOM 736 CB ASN A 31 11.729 -5.156 0.749 1.00 0.00 C ATOM 737 CG ASN A 31 12.438 -5.939 1.837 1.00 0.00 C ATOM 738 OD1 ASN A 31 12.238 -5.692 3.026 1.00 0.00 O ATOM 739 ND2 ASN A 31 13.273 -6.890 1.434 1.00 0.00 N ATOM 0 H ASN A 31 12.311 -2.780 0.444 1.00 0.00 H new ATOM 0 HA ASN A 31 13.667 -5.128 -0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.235 -4.291 1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.950 -5.777 0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.779 -7.449 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.409 -7.061 0.438 1.00 0.00 H new ATOM 746 N SER A 32 10.956 -4.760 -2.047 1.00 0.00 N ATOM 747 CA SER A 32 10.365 -5.125 -3.329 1.00 0.00 C ATOM 748 C SER A 32 11.201 -4.569 -4.476 1.00 0.00 C ATOM 749 O SER A 32 11.286 -5.170 -5.547 1.00 0.00 O ATOM 750 CB SER A 32 8.931 -4.601 -3.422 1.00 0.00 C ATOM 751 OG SER A 32 8.115 -5.479 -4.178 1.00 0.00 O ATOM 0 H SER A 32 10.352 -4.197 -1.448 1.00 0.00 H new ATOM 0 HA SER A 32 10.347 -6.212 -3.404 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.517 -4.487 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.931 -3.613 -3.882 1.00 0.00 H new ATOM 0 HG SER A 32 7.203 -5.122 -4.221 1.00 0.00 H new ATOM 757 N PHE A 33 11.824 -3.419 -4.236 1.00 0.00 N ATOM 758 CA PHE A 33 12.664 -2.778 -5.239 1.00 0.00 C ATOM 759 C PHE A 33 13.848 -3.676 -5.590 1.00 0.00 C ATOM 760 O PHE A 33 14.183 -3.851 -6.762 1.00 0.00 O ATOM 761 CB PHE A 33 13.146 -1.415 -4.718 1.00 0.00 C ATOM 762 CG PHE A 33 14.497 -0.995 -5.226 1.00 0.00 C ATOM 763 CD1 PHE A 33 14.697 -0.733 -6.572 1.00 0.00 C ATOM 764 CD2 PHE A 33 15.566 -0.865 -4.355 1.00 0.00 C ATOM 765 CE1 PHE A 33 15.940 -0.347 -7.038 1.00 0.00 C ATOM 766 CE2 PHE A 33 16.810 -0.480 -4.815 1.00 0.00 C ATOM 767 CZ PHE A 33 16.997 -0.221 -6.159 1.00 0.00 C ATOM 0 H PHE A 33 11.762 -2.912 -3.353 1.00 0.00 H new ATOM 0 HA PHE A 33 12.081 -2.617 -6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.415 -0.655 -4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 33 13.175 -1.446 -3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.874 -0.831 -7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.425 -1.067 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.084 -0.144 -8.089 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.635 -0.382 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.969 0.080 -6.522 1.00 0.00 H new ATOM 777 N VAL A 34 14.475 -4.244 -4.565 1.00 0.00 N ATOM 778 CA VAL A 34 15.618 -5.127 -4.760 1.00 0.00 C ATOM 779 C VAL A 34 15.231 -6.332 -5.611 1.00 0.00 C ATOM 780 O VAL A 34 15.580 -6.402 -6.782 1.00 0.00 O ATOM 781 CB VAL A 34 16.192 -5.603 -3.409 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.383 -6.526 -3.617 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.578 -4.410 -2.544 1.00 0.00 C ATOM 0 H VAL A 34 14.210 -4.108 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 34 16.388 -4.558 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 34 15.417 -6.168 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.768 -6.847 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.071 -7.399 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.164 -5.995 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.981 -4.764 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.332 -3.816 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.697 -3.796 -2.358 1.00 0.00 H new ATOM 793 N SER A 35 14.522 -7.287 -5.018 1.00 0.00 N ATOM 794 CA SER A 35 14.120 -8.489 -5.719 1.00 0.00 C ATOM 795 C SER A 35 13.520 -8.194 -7.074 1.00 0.00 C ATOM 796 O SER A 35 13.636 -9.009 -7.990 1.00 0.00 O ATOM 797 CB SER A 35 13.127 -9.281 -4.863 1.00 0.00 C ATOM 798 OG SER A 35 11.808 -8.782 -5.020 1.00 0.00 O ATOM 0 H SER A 35 14.215 -7.245 -4.046 1.00 0.00 H new ATOM 0 HA SER A 35 15.018 -9.083 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.157 -10.333 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.419 -9.223 -3.814 1.00 0.00 H new ATOM 0 HG SER A 35 11.221 -9.194 -4.352 1.00 0.00 H new ATOM 804 N GLY A 36 12.944 -7.025 -7.245 1.00 0.00 N ATOM 805 CA GLY A 36 12.436 -6.698 -8.553 1.00 0.00 C ATOM 806 C GLY A 36 13.589 -6.751 -9.533 1.00 0.00 C ATOM 807 O GLY A 36 13.525 -7.408 -10.572 1.00 0.00 O ATOM 0 H GLY A 36 12.819 -6.312 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.656 -7.401 -8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.985 -5.706 -8.549 1.00 0.00 H new ATOM 811 N VAL A 37 14.662 -6.065 -9.152 1.00 0.00 N ATOM 812 CA VAL A 37 15.886 -6.010 -9.920 1.00 0.00 C ATOM 813 C VAL A 37 16.891 -7.103 -9.523 1.00 0.00 C ATOM 814 O VAL A 37 17.381 -7.852 -10.367 1.00 0.00 O ATOM 815 CB VAL A 37 16.565 -4.636 -9.749 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.824 -4.543 -10.600 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.596 -3.516 -10.098 1.00 0.00 C ATOM 0 H VAL A 37 14.699 -5.526 -8.287 1.00 0.00 H new ATOM 0 HA VAL A 37 15.600 -6.174 -10.959 1.00 0.00 H new ATOM 0 HB VAL A 37 16.856 -4.527 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.285 -3.565 -10.462 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.526 -5.320 -10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.564 -4.677 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.092 -2.553 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.272 -3.624 -11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.729 -3.567 -9.439 1.00 0.00 H new ATOM 827 N ALA A 38 17.239 -7.126 -8.230 1.00 0.00 N ATOM 828 CA ALA A 38 18.235 -8.042 -7.690 1.00 0.00 C ATOM 829 C ALA A 38 17.722 -9.432 -7.361 1.00 0.00 C ATOM 830 O ALA A 38 18.046 -10.415 -8.027 1.00 0.00 O ATOM 831 CB ALA A 38 18.850 -7.436 -6.434 1.00 0.00 C ATOM 0 H ALA A 38 16.832 -6.504 -7.531 1.00 0.00 H new ATOM 0 HA ALA A 38 18.969 -8.173 -8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.596 -8.119 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.325 -6.487 -6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.070 -7.268 -5.692 1.00 0.00 H new ATOM 837 N SER A 39 16.980 -9.493 -6.267 1.00 0.00 N ATOM 838 CA SER A 39 16.467 -10.739 -5.730 1.00 0.00 C ATOM 839 C SER A 39 15.502 -11.472 -6.675 1.00 0.00 C ATOM 840 O SER A 39 14.991 -12.540 -6.334 1.00 0.00 O ATOM 841 CB SER A 39 15.838 -10.464 -4.372 1.00 0.00 C ATOM 842 OG SER A 39 16.459 -11.236 -3.358 1.00 0.00 O ATOM 0 H SER A 39 16.716 -8.671 -5.724 1.00 0.00 H new ATOM 0 HA SER A 39 17.306 -11.426 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.928 -9.404 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.773 -10.693 -4.408 1.00 0.00 H new ATOM 0 HG SER A 39 16.039 -11.041 -2.495 1.00 0.00 H new ATOM 848 N GLY A 40 15.273 -10.917 -7.866 1.00 0.00 N ATOM 849 CA GLY A 40 14.395 -11.555 -8.839 1.00 0.00 C ATOM 850 C GLY A 40 13.064 -11.984 -8.254 1.00 0.00 C ATOM 851 O GLY A 40 12.439 -12.928 -8.735 1.00 0.00 O ATOM 0 H GLY A 40 15.681 -10.035 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.216 -10.865 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.899 -12.427 -9.256 1.00 0.00 H new ATOM 855 N ALA A 41 12.635 -11.283 -7.217 1.00 0.00 N ATOM 856 CA ALA A 41 11.368 -11.579 -6.551 1.00 0.00 C ATOM 857 C ALA A 41 11.206 -13.075 -6.293 1.00 0.00 C ATOM 858 O ALA A 41 10.098 -13.609 -6.355 1.00 0.00 O ATOM 859 CB ALA A 41 10.205 -11.058 -7.381 1.00 0.00 C ATOM 0 H ALA A 41 13.147 -10.499 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 41 11.373 -11.074 -5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.267 -11.284 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.300 -9.979 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.214 -11.537 -8.360 1.00 0.00 H new ATOM 865 N GLY A 42 12.316 -13.747 -6.008 1.00 0.00 N ATOM 866 CA GLY A 42 12.274 -15.174 -5.748 1.00 0.00 C ATOM 867 C GLY A 42 12.918 -15.980 -6.859 1.00 0.00 C ATOM 868 O GLY A 42 12.362 -16.101 -7.950 1.00 0.00 O ATOM 0 H GLY A 42 13.245 -13.329 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.783 -15.385 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.237 -15.489 -5.627 1.00 0.00 H new ATOM 872 N SER A 43 14.096 -16.529 -6.583 1.00 0.00 N ATOM 873 CA SER A 43 14.818 -17.323 -7.568 1.00 0.00 C ATOM 874 C SER A 43 14.291 -18.752 -7.619 1.00 0.00 C ATOM 875 O SER A 43 14.348 -19.411 -8.657 1.00 0.00 O ATOM 876 CB SER A 43 16.315 -17.329 -7.251 1.00 0.00 C ATOM 877 OG SER A 43 16.545 -17.602 -5.879 1.00 0.00 O ATOM 0 H SER A 43 14.571 -16.438 -5.685 1.00 0.00 H new ATOM 0 HA SER A 43 14.661 -16.867 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.817 -18.079 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.749 -16.363 -7.511 1.00 0.00 H new ATOM 0 HG SER A 43 17.509 -17.602 -5.703 1.00 0.00 H new ATOM 883 N ILE A 44 13.784 -19.225 -6.490 1.00 0.00 N ATOM 884 CA ILE A 44 13.250 -20.577 -6.400 1.00 0.00 C ATOM 885 C ILE A 44 12.373 -20.748 -5.161 1.00 0.00 C ATOM 886 O ILE A 44 12.743 -21.441 -4.214 1.00 0.00 O ATOM 887 CB ILE A 44 14.388 -21.616 -6.373 1.00 0.00 C ATOM 888 CG1 ILE A 44 13.818 -23.037 -6.404 1.00 0.00 C ATOM 889 CG2 ILE A 44 15.272 -21.414 -5.149 1.00 0.00 C ATOM 890 CD1 ILE A 44 13.209 -23.414 -7.736 1.00 0.00 C ATOM 0 H ILE A 44 13.731 -18.692 -5.622 1.00 0.00 H new ATOM 0 HA ILE A 44 12.637 -20.741 -7.286 1.00 0.00 H new ATOM 0 HB ILE A 44 15.003 -21.475 -7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.612 -23.744 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.060 -23.133 -5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 44 16.069 -22.158 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.708 -20.415 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.673 -21.524 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.825 -24.433 -7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.393 -22.730 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.969 -23.351 -8.515 1.00 0.00 H new ATOM 902 N GLY A 45 11.205 -20.112 -5.176 1.00 0.00 N ATOM 903 CA GLY A 45 10.295 -20.211 -4.051 1.00 0.00 C ATOM 904 C GLY A 45 9.357 -19.024 -3.950 1.00 0.00 C ATOM 905 O GLY A 45 8.859 -18.530 -4.961 1.00 0.00 O ATOM 0 H GLY A 45 10.874 -19.531 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.709 -21.125 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.871 -20.293 -3.129 1.00 0.00 H new ATOM 909 N ARG A 46 9.114 -18.568 -2.726 1.00 0.00 N ATOM 910 CA ARG A 46 8.229 -17.433 -2.493 1.00 0.00 C ATOM 911 C ARG A 46 6.828 -17.716 -3.030 1.00 0.00 C ATOM 912 O ARG A 46 6.638 -17.622 -4.261 1.00 0.00 O ATOM 913 CB ARG A 46 8.798 -16.171 -3.148 1.00 0.00 C ATOM 914 CG ARG A 46 9.245 -15.116 -2.146 1.00 0.00 C ATOM 915 CD ARG A 46 8.577 -13.776 -2.409 1.00 0.00 C ATOM 916 NE ARG A 46 8.667 -12.884 -1.257 1.00 0.00 N ATOM 917 CZ ARG A 46 7.885 -12.979 -0.183 1.00 0.00 C ATOM 918 NH1 ARG A 46 6.956 -13.924 -0.111 1.00 0.00 N ATOM 919 NH2 ARG A 46 8.034 -12.126 0.822 1.00 0.00 N ATOM 920 OXT ARG A 46 5.935 -18.030 -2.215 1.00 0.00 O ATOM 0 H ARG A 46 9.518 -18.968 -1.879 1.00 0.00 H new ATOM 0 HA ARG A 46 8.159 -17.273 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.646 -16.447 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.043 -15.740 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.008 -15.449 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.328 -15.000 -2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.044 -13.302 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.529 -13.937 -2.662 1.00 0.00 H new ATOM 0 HE ARG A 46 9.370 -12.145 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.838 -14.583 -0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.360 -13.992 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.747 -11.398 0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.436 -12.198 1.645 1.00 0.00 H new TER 934 ARG A 46