USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 1 SER N :NH3+ -139:sc= 0.66 (180deg=0.0695) USER MOD Single : A 1 SER OG : rot 106:sc= 0.966 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -146:sc= -0.248 (180deg=-1.48!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -110:sc= 0.178 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 17 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.9!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.0506 K(o=-0.051,f=-2.1!) USER MOD Single : A 20 SER OG : rot 40:sc= 0.238 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.539 K(o=0.54,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -4.56! C(o=-4.6!,f=-0.99!) USER MOD Single : A 38 SER OG : rot 60:sc= 0.371 USER MOD Single : A 42 GLN : amide:sc= -0.165 K(o=-0.17,f=-0.96) USER MOD Single : A 44 HIS : no HD1:sc= -5.82! C(o=-5.8!,f=-6.6!) USER MOD Single : A 45 SER OG : rot 27:sc= 0.201 USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= -0.158 (180deg=-1.39!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.487 2.026 -6.908 1.00 0.00 N ATOM 2 CA SER A 1 12.798 1.389 -6.641 1.00 0.00 C ATOM 3 C SER A 1 12.907 1.019 -5.168 1.00 0.00 C ATOM 4 O SER A 1 13.099 -0.131 -4.825 1.00 0.00 O ATOM 5 CB SER A 1 13.934 2.365 -6.986 1.00 0.00 C ATOM 6 OG SER A 1 13.340 3.649 -6.859 1.00 0.00 O ATOM 0 H1 SER A 1 11.107 1.674 -7.810 1.00 0.00 H new ATOM 0 H2 SER A 1 10.826 1.794 -6.140 1.00 0.00 H new ATOM 0 H3 SER A 1 11.607 3.058 -6.962 1.00 0.00 H new ATOM 0 HA SER A 1 12.879 0.492 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.779 2.248 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.310 2.198 -7.995 1.00 0.00 H new ATOM 0 HG SER A 1 13.658 4.077 -6.036 1.00 0.00 H new ATOM 14 N TYR A 2 12.782 2.003 -4.318 1.00 0.00 N ATOM 15 CA TYR A 2 12.875 1.727 -2.863 1.00 0.00 C ATOM 16 C TYR A 2 11.628 1.000 -2.371 1.00 0.00 C ATOM 17 O TYR A 2 10.643 0.916 -3.076 1.00 0.00 O ATOM 18 CB TYR A 2 12.995 3.069 -2.126 1.00 0.00 C ATOM 19 CG TYR A 2 13.994 3.961 -2.866 1.00 0.00 C ATOM 20 CD1 TYR A 2 15.350 3.835 -2.634 1.00 0.00 C ATOM 21 CD2 TYR A 2 13.556 4.896 -3.780 1.00 0.00 C ATOM 22 CE1 TYR A 2 16.252 4.632 -3.307 1.00 0.00 C ATOM 23 CE2 TYR A 2 14.460 5.694 -4.454 1.00 0.00 C ATOM 24 CZ TYR A 2 15.814 5.567 -4.222 1.00 0.00 C ATOM 25 OH TYR A 2 16.717 6.363 -4.896 1.00 0.00 O ATOM 0 H TYR A 2 12.621 2.978 -4.570 1.00 0.00 H new ATOM 0 HA TYR A 2 13.743 1.096 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 2 12.022 3.557 -2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 2 13.325 2.906 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 2 15.706 3.107 -1.920 1.00 0.00 H new ATOM 0 HD2 TYR A 2 12.499 5.005 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 2 17.309 4.523 -3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 2 14.104 6.422 -5.168 1.00 0.00 H new ATOM 0 HH TYR A 2 16.235 6.964 -5.502 1.00 0.00 H new ATOM 35 N GLN A 3 11.696 0.487 -1.166 1.00 0.00 N ATOM 36 CA GLN A 3 10.520 -0.240 -0.610 1.00 0.00 C ATOM 37 C GLN A 3 10.296 0.116 0.850 1.00 0.00 C ATOM 38 O GLN A 3 10.280 -0.741 1.710 1.00 0.00 O ATOM 39 CB GLN A 3 10.789 -1.749 -0.721 1.00 0.00 C ATOM 40 CG GLN A 3 9.569 -2.519 -0.205 1.00 0.00 C ATOM 41 CD GLN A 3 9.316 -3.727 -1.108 1.00 0.00 C ATOM 42 OE1 GLN A 3 8.201 -3.990 -1.512 1.00 0.00 O ATOM 43 NE2 GLN A 3 10.321 -4.486 -1.448 1.00 0.00 N ATOM 0 H GLN A 3 12.508 0.541 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 3 9.630 0.043 -1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.992 -2.019 -1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.674 -2.016 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.738 -2.846 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.693 -1.870 -0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.260 -4.270 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.168 -5.295 -2.050 1.00 0.00 H new ATOM 52 N VAL A 4 10.131 1.380 1.099 1.00 0.00 N ATOM 53 CA VAL A 4 9.907 1.836 2.475 1.00 0.00 C ATOM 54 C VAL A 4 8.981 3.041 2.476 1.00 0.00 C ATOM 55 O VAL A 4 9.142 3.953 3.262 1.00 0.00 O ATOM 56 CB VAL A 4 11.252 2.256 3.062 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.180 1.041 3.120 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.888 3.339 2.182 1.00 0.00 C ATOM 0 H VAL A 4 10.143 2.118 0.395 1.00 0.00 H new ATOM 0 HA VAL A 4 9.457 1.034 3.061 1.00 0.00 H new ATOM 0 HB VAL A 4 11.099 2.652 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.142 1.337 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.732 0.271 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.328 0.648 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.848 3.635 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.041 2.947 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.228 4.206 2.138 1.00 0.00 H new ATOM 68 N ILE A 5 8.026 3.018 1.593 1.00 0.00 N ATOM 69 CA ILE A 5 7.076 4.144 1.512 1.00 0.00 C ATOM 70 C ILE A 5 5.782 3.875 2.285 1.00 0.00 C ATOM 71 O ILE A 5 5.550 2.787 2.771 1.00 0.00 O ATOM 72 CB ILE A 5 6.724 4.340 0.047 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.432 2.996 -0.600 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.924 4.981 -0.671 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.202 3.134 -1.500 1.00 0.00 C ATOM 0 H ILE A 5 7.867 2.264 0.925 1.00 0.00 H new ATOM 0 HA ILE A 5 7.546 5.024 1.951 1.00 0.00 H new ATOM 0 HB ILE A 5 5.845 4.980 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.291 2.665 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.256 2.240 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.683 5.126 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.149 5.945 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.792 4.327 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.985 2.174 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.347 3.448 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.397 3.879 -2.272 1.00 0.00 H new ATOM 87 N CYS A 6 4.964 4.899 2.373 1.00 0.00 N ATOM 88 CA CYS A 6 3.667 4.777 3.096 1.00 0.00 C ATOM 89 C CYS A 6 2.580 5.479 2.284 1.00 0.00 C ATOM 90 O CYS A 6 2.554 6.688 2.213 1.00 0.00 O ATOM 91 CB CYS A 6 3.800 5.478 4.463 1.00 0.00 C ATOM 92 SG CYS A 6 3.896 4.435 5.936 1.00 0.00 S ATOM 0 H CYS A 6 5.145 5.818 1.970 1.00 0.00 H new ATOM 0 HA CYS A 6 3.408 3.727 3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.694 6.101 4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.948 6.147 4.581 1.00 0.00 H new ATOM 97 N ARG A 7 1.696 4.712 1.701 1.00 0.00 N ATOM 98 CA ARG A 7 0.614 5.334 0.889 1.00 0.00 C ATOM 99 C ARG A 7 -0.635 5.679 1.702 1.00 0.00 C ATOM 100 O ARG A 7 -1.295 4.811 2.236 1.00 0.00 O ATOM 101 CB ARG A 7 0.214 4.321 -0.189 1.00 0.00 C ATOM 102 CG ARG A 7 -0.771 4.981 -1.159 1.00 0.00 C ATOM 103 CD ARG A 7 -0.918 4.101 -2.403 1.00 0.00 C ATOM 104 NE ARG A 7 -2.325 4.182 -2.890 1.00 0.00 N ATOM 105 CZ ARG A 7 -2.590 3.882 -4.132 1.00 0.00 C ATOM 106 NH1 ARG A 7 -1.728 3.171 -4.807 1.00 0.00 N ATOM 107 NH2 ARG A 7 -3.709 4.302 -4.658 1.00 0.00 N ATOM 0 H ARG A 7 1.677 3.693 1.752 1.00 0.00 H new ATOM 0 HA ARG A 7 0.998 6.268 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.097 3.976 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.242 3.444 0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.740 5.115 -0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.415 5.972 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.230 4.431 -3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.660 3.069 -2.167 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.073 4.469 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.864 2.860 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.918 2.927 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.359 4.855 -4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.933 4.077 -5.627 1.00 0.00 H new ATOM 121 N ASP A 8 -0.931 6.959 1.773 1.00 0.00 N ATOM 122 CA ASP A 8 -2.132 7.402 2.537 1.00 0.00 C ATOM 123 C ASP A 8 -3.285 7.667 1.565 1.00 0.00 C ATOM 124 O ASP A 8 -3.181 8.512 0.688 1.00 0.00 O ATOM 125 CB ASP A 8 -1.795 8.702 3.277 1.00 0.00 C ATOM 126 CG ASP A 8 -2.907 9.014 4.279 1.00 0.00 C ATOM 127 OD1 ASP A 8 -2.853 8.430 5.348 1.00 0.00 O ATOM 128 OD2 ASP A 8 -3.747 9.818 3.917 1.00 0.00 O ATOM 0 H ASP A 8 -0.393 7.707 1.336 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.423 6.628 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.841 8.603 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.689 9.522 2.566 1.00 0.00 H new ATOM 133 N GLU A 9 -4.368 6.947 1.747 1.00 0.00 N ATOM 134 CA GLU A 9 -5.542 7.126 0.852 1.00 0.00 C ATOM 135 C GLU A 9 -6.425 8.296 1.271 1.00 0.00 C ATOM 136 O GLU A 9 -7.404 8.592 0.615 1.00 0.00 O ATOM 137 CB GLU A 9 -6.377 5.847 0.921 1.00 0.00 C ATOM 138 CG GLU A 9 -7.001 5.730 2.315 1.00 0.00 C ATOM 139 CD GLU A 9 -7.535 4.312 2.514 1.00 0.00 C ATOM 140 OE1 GLU A 9 -6.730 3.408 2.380 1.00 0.00 O ATOM 141 OE2 GLU A 9 -8.719 4.214 2.792 1.00 0.00 O ATOM 0 H GLU A 9 -4.483 6.245 2.478 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.176 7.333 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.157 5.866 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.752 4.978 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.258 5.961 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.809 6.454 2.426 1.00 0.00 H new ATOM 148 N LYS A 10 -6.082 8.942 2.343 1.00 0.00 N ATOM 149 CA LYS A 10 -6.919 10.087 2.782 1.00 0.00 C ATOM 150 C LYS A 10 -6.530 11.337 2.023 1.00 0.00 C ATOM 151 O LYS A 10 -7.223 12.334 2.052 1.00 0.00 O ATOM 152 CB LYS A 10 -6.691 10.314 4.280 1.00 0.00 C ATOM 153 CG LYS A 10 -8.017 10.129 5.021 1.00 0.00 C ATOM 154 CD LYS A 10 -8.442 8.658 4.932 1.00 0.00 C ATOM 155 CE LYS A 10 -9.892 8.574 4.432 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.757 9.555 5.151 1.00 0.00 N ATOM 0 H LYS A 10 -5.272 8.733 2.927 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.969 9.867 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.948 9.612 4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.300 11.317 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.909 10.427 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.784 10.769 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.781 8.117 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.355 8.183 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.924 8.771 3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.276 7.565 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.710 9.156 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.348 9.759 6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.816 10.435 4.600 1.00 0.00 H new ATOM 170 N THR A 11 -5.423 11.255 1.358 1.00 0.00 N ATOM 171 CA THR A 11 -4.946 12.413 0.577 1.00 0.00 C ATOM 172 C THR A 11 -4.260 11.924 -0.680 1.00 0.00 C ATOM 173 O THR A 11 -4.008 12.681 -1.595 1.00 0.00 O ATOM 174 CB THR A 11 -3.936 13.205 1.418 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.046 13.779 0.483 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.059 12.266 2.254 1.00 0.00 C ATOM 0 H THR A 11 -4.824 10.430 1.322 1.00 0.00 H new ATOM 0 HA THR A 11 -5.792 13.048 0.313 1.00 0.00 H new ATOM 0 HB THR A 11 -4.464 13.907 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.369 14.305 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.352 12.854 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.689 11.681 2.925 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.511 11.595 1.593 1.00 0.00 H new ATOM 184 N GLN A 12 -3.971 10.650 -0.700 1.00 0.00 N ATOM 185 CA GLN A 12 -3.303 10.080 -1.879 1.00 0.00 C ATOM 186 C GLN A 12 -1.882 10.569 -1.921 1.00 0.00 C ATOM 187 O GLN A 12 -1.325 10.793 -2.979 1.00 0.00 O ATOM 188 CB GLN A 12 -4.032 10.557 -3.144 1.00 0.00 C ATOM 189 CG GLN A 12 -4.007 9.442 -4.190 1.00 0.00 C ATOM 190 CD GLN A 12 -4.709 9.925 -5.461 1.00 0.00 C ATOM 191 OE1 GLN A 12 -5.918 9.894 -5.564 1.00 0.00 O ATOM 192 NE2 GLN A 12 -3.988 10.381 -6.450 1.00 0.00 N ATOM 0 H GLN A 12 -4.172 9.991 0.052 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.320 8.991 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.061 10.825 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.552 11.453 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.978 9.161 -4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.504 8.553 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.972 10.410 -6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.441 10.709 -7.303 1.00 0.00 H new ATOM 201 N MET A 13 -1.319 10.722 -0.751 1.00 0.00 N ATOM 202 CA MET A 13 0.077 11.201 -0.658 1.00 0.00 C ATOM 203 C MET A 13 0.969 10.137 -0.062 1.00 0.00 C ATOM 204 O MET A 13 0.700 9.623 1.006 1.00 0.00 O ATOM 205 CB MET A 13 0.098 12.435 0.258 1.00 0.00 C ATOM 206 CG MET A 13 1.449 13.143 0.124 1.00 0.00 C ATOM 207 SD MET A 13 1.728 14.129 -1.367 1.00 0.00 S ATOM 208 CE MET A 13 3.405 14.677 -0.961 1.00 0.00 C ATOM 0 H MET A 13 -1.773 10.533 0.142 1.00 0.00 H new ATOM 0 HA MET A 13 0.443 11.443 -1.656 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.710 13.115 -0.011 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.068 12.136 1.293 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.574 13.796 0.988 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.232 12.387 0.179 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.784 15.313 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.388 15.240 -0.028 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.054 13.809 -0.849 1.00 0.00 H new ATOM 218 N ILE A 14 2.019 9.824 -0.759 1.00 0.00 N ATOM 219 CA ILE A 14 2.941 8.799 -0.252 1.00 0.00 C ATOM 220 C ILE A 14 4.075 9.437 0.539 1.00 0.00 C ATOM 221 O ILE A 14 4.548 10.504 0.198 1.00 0.00 O ATOM 222 CB ILE A 14 3.509 8.048 -1.447 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.356 7.600 -2.342 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.257 6.802 -0.935 1.00 0.00 C ATOM 225 CD1 ILE A 14 2.849 6.557 -3.341 1.00 0.00 C ATOM 0 H ILE A 14 2.272 10.237 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 14 2.407 8.121 0.413 1.00 0.00 H new ATOM 0 HB ILE A 14 4.188 8.690 -2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.553 7.183 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.942 8.457 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.670 6.253 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.066 7.110 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.565 6.161 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.021 6.242 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.637 6.989 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.242 5.695 -2.803 1.00 0.00 H new ATOM 237 N TYR A 15 4.484 8.762 1.587 1.00 0.00 N ATOM 238 CA TYR A 15 5.587 9.294 2.432 1.00 0.00 C ATOM 239 C TYR A 15 6.710 8.264 2.578 1.00 0.00 C ATOM 240 O TYR A 15 6.527 7.103 2.283 1.00 0.00 O ATOM 241 CB TYR A 15 5.010 9.603 3.821 1.00 0.00 C ATOM 242 CG TYR A 15 3.808 10.543 3.683 1.00 0.00 C ATOM 243 CD1 TYR A 15 3.989 11.910 3.690 1.00 0.00 C ATOM 244 CD2 TYR A 15 2.527 10.038 3.568 1.00 0.00 C ATOM 245 CE1 TYR A 15 2.909 12.761 3.586 1.00 0.00 C ATOM 246 CE2 TYR A 15 1.445 10.891 3.464 1.00 0.00 C ATOM 247 CZ TYR A 15 1.629 12.259 3.473 1.00 0.00 C ATOM 248 OH TYR A 15 0.550 13.112 3.375 1.00 0.00 O ATOM 0 H TYR A 15 4.099 7.867 1.889 1.00 0.00 H new ATOM 0 HA TYR A 15 6.001 10.188 1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.707 8.679 4.313 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.773 10.063 4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.985 12.318 3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.370 8.969 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.066 13.829 3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.448 10.485 3.375 1.00 0.00 H new ATOM 0 HH TYR A 15 0.018 13.062 4.196 1.00 0.00 H new ATOM 258 N GLN A 16 7.854 8.716 3.033 1.00 0.00 N ATOM 259 CA GLN A 16 9.003 7.785 3.207 1.00 0.00 C ATOM 260 C GLN A 16 8.991 7.116 4.568 1.00 0.00 C ATOM 261 O GLN A 16 8.016 7.171 5.292 1.00 0.00 O ATOM 262 CB GLN A 16 10.297 8.600 3.082 1.00 0.00 C ATOM 263 CG GLN A 16 10.154 9.606 1.939 1.00 0.00 C ATOM 264 CD GLN A 16 11.514 10.250 1.667 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.476 10.012 2.369 1.00 0.00 O ATOM 266 NE2 GLN A 16 11.638 11.068 0.659 1.00 0.00 N ATOM 0 H GLN A 16 8.037 9.686 3.289 1.00 0.00 H new ATOM 0 HA GLN A 16 8.934 7.007 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.503 9.121 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.141 7.937 2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.788 9.107 1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.421 10.370 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.834 11.272 0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.539 11.504 0.464 1.00 0.00 H new ATOM 275 N GLN A 17 10.089 6.498 4.885 1.00 0.00 N ATOM 276 CA GLN A 17 10.202 5.803 6.187 1.00 0.00 C ATOM 277 C GLN A 17 10.446 6.777 7.329 1.00 0.00 C ATOM 278 O GLN A 17 11.140 7.760 7.172 1.00 0.00 O ATOM 279 CB GLN A 17 11.393 4.842 6.120 1.00 0.00 C ATOM 280 CG GLN A 17 11.018 3.543 6.835 1.00 0.00 C ATOM 281 CD GLN A 17 12.271 2.691 7.031 1.00 0.00 C ATOM 282 OE1 GLN A 17 13.382 3.160 6.891 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.136 1.435 7.357 1.00 0.00 N ATOM 0 H GLN A 17 10.918 6.445 4.293 1.00 0.00 H new ATOM 0 HA GLN A 17 9.265 5.278 6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.656 4.639 5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.268 5.292 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.561 3.765 7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.279 2.994 6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.205 1.036 7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.962 0.852 7.493 1.00 0.00 H new ATOM 292 N HIS A 18 9.857 6.486 8.461 1.00 0.00 N ATOM 293 CA HIS A 18 10.039 7.376 9.632 1.00 0.00 C ATOM 294 C HIS A 18 9.676 8.812 9.291 1.00 0.00 C ATOM 295 O HIS A 18 10.139 9.741 9.924 1.00 0.00 O ATOM 296 CB HIS A 18 11.516 7.321 10.058 1.00 0.00 C ATOM 297 CG HIS A 18 11.932 5.860 10.256 1.00 0.00 C ATOM 298 ND1 HIS A 18 13.062 5.399 9.993 1.00 0.00 N ATOM 299 CD2 HIS A 18 11.201 4.789 10.741 1.00 0.00 C ATOM 300 CE1 HIS A 18 13.132 4.159 10.254 1.00 0.00 C ATOM 301 NE2 HIS A 18 11.987 3.677 10.740 1.00 0.00 N ATOM 0 H HIS A 18 9.262 5.673 8.618 1.00 0.00 H new ATOM 0 HA HIS A 18 9.386 7.039 10.437 1.00 0.00 H new ATOM 0 HB2 HIS A 18 12.143 7.790 9.300 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.661 7.881 10.982 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.172 4.829 11.068 1.00 0.00 H new ATOM 0 HE1 HIS A 18 14.018 3.562 10.100 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.760 2.727 11.033 1.00 0.00 H new ATOM 309 N GLN A 19 8.849 8.966 8.292 1.00 0.00 N ATOM 310 CA GLN A 19 8.435 10.330 7.885 1.00 0.00 C ATOM 311 C GLN A 19 7.076 10.668 8.495 1.00 0.00 C ATOM 312 O GLN A 19 6.138 9.910 8.371 1.00 0.00 O ATOM 313 CB GLN A 19 8.326 10.353 6.358 1.00 0.00 C ATOM 314 CG GLN A 19 8.450 11.794 5.868 1.00 0.00 C ATOM 315 CD GLN A 19 9.931 12.168 5.771 1.00 0.00 C ATOM 316 OE1 GLN A 19 10.715 11.486 5.142 1.00 0.00 O ATOM 317 NE2 GLN A 19 10.354 13.244 6.378 1.00 0.00 N ATOM 0 H GLN A 19 8.446 8.206 7.744 1.00 0.00 H new ATOM 0 HA GLN A 19 9.165 11.062 8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.109 9.737 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.372 9.930 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.971 11.902 4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.936 12.469 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.701 13.821 6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.338 13.508 6.322 1.00 0.00 H new ATOM 326 N SER A 20 6.992 11.806 9.140 1.00 0.00 N ATOM 327 CA SER A 20 5.699 12.200 9.765 1.00 0.00 C ATOM 328 C SER A 20 4.864 13.114 8.872 1.00 0.00 C ATOM 329 O SER A 20 5.372 14.041 8.272 1.00 0.00 O ATOM 330 CB SER A 20 6.014 12.954 11.061 1.00 0.00 C ATOM 331 OG SER A 20 6.911 13.981 10.659 1.00 0.00 O ATOM 0 H SER A 20 7.757 12.471 9.258 1.00 0.00 H new ATOM 0 HA SER A 20 5.121 11.293 9.939 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.111 13.367 11.510 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.468 12.297 11.803 1.00 0.00 H new ATOM 0 HG SER A 20 6.621 14.350 9.799 1.00 0.00 H new ATOM 337 N TRP A 21 3.583 12.828 8.809 1.00 0.00 N ATOM 338 CA TRP A 21 2.681 13.662 7.969 1.00 0.00 C ATOM 339 C TRP A 21 1.282 13.747 8.592 1.00 0.00 C ATOM 340 O TRP A 21 0.657 12.742 8.866 1.00 0.00 O ATOM 341 CB TRP A 21 2.590 13.052 6.548 1.00 0.00 C ATOM 342 CG TRP A 21 1.660 11.817 6.521 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.369 11.861 6.196 1.00 0.00 C ATOM 344 CD2 TRP A 21 2.056 10.568 6.692 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.002 10.567 6.168 1.00 0.00 N ATOM 346 CE2 TRP A 21 1.010 9.683 6.470 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.302 10.072 7.035 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.210 8.324 6.582 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.499 8.707 7.148 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.452 7.835 6.921 1.00 0.00 C ATOM 0 H TRP A 21 3.132 12.057 9.302 1.00 0.00 H new ATOM 0 HA TRP A 21 3.090 14.670 7.909 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.219 13.804 5.851 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.586 12.767 6.209 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.239 12.732 6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.951 10.267 5.943 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.122 10.752 7.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.392 7.642 6.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.473 8.323 7.414 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.607 6.770 7.009 1.00 0.00 H new ATOM 361 N LEU A 22 0.821 14.963 8.802 1.00 0.00 N ATOM 362 CA LEU A 22 -0.528 15.156 9.406 1.00 0.00 C ATOM 363 C LEU A 22 -1.618 14.949 8.374 1.00 0.00 C ATOM 364 O LEU A 22 -1.416 15.191 7.201 1.00 0.00 O ATOM 365 CB LEU A 22 -0.624 16.608 9.915 1.00 0.00 C ATOM 366 CG LEU A 22 0.122 16.765 11.254 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.681 16.108 12.385 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.507 16.109 11.161 1.00 0.00 C ATOM 0 H LEU A 22 1.324 15.822 8.580 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.660 14.435 10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.200 17.287 9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.670 16.886 10.041 1.00 0.00 H new ATOM 0 HG LEU A 22 0.239 17.827 11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.145 16.225 13.327 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.658 16.585 12.462 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.811 15.047 12.170 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.029 16.224 12.111 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.393 15.049 10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.084 16.588 10.370 1.00 0.00 H new ATOM 380 N ARG A 23 -2.763 14.501 8.838 1.00 0.00 N ATOM 381 CA ARG A 23 -3.896 14.263 7.920 1.00 0.00 C ATOM 382 C ARG A 23 -5.159 14.993 8.437 1.00 0.00 C ATOM 383 O ARG A 23 -5.313 15.175 9.628 1.00 0.00 O ATOM 384 CB ARG A 23 -4.139 12.745 7.904 1.00 0.00 C ATOM 385 CG ARG A 23 -2.783 12.033 8.011 1.00 0.00 C ATOM 386 CD ARG A 23 -2.896 10.627 7.431 1.00 0.00 C ATOM 387 NE ARG A 23 -3.911 9.861 8.202 1.00 0.00 N ATOM 388 CZ ARG A 23 -5.068 9.603 7.660 1.00 0.00 C ATOM 389 NH1 ARG A 23 -5.155 8.633 6.792 1.00 0.00 N ATOM 390 NH2 ARG A 23 -6.101 10.320 8.009 1.00 0.00 N ATOM 0 H ARG A 23 -2.950 14.293 9.819 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.677 14.638 6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.785 12.456 8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.649 12.453 6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.021 12.598 7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.468 11.983 9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.181 10.676 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.931 10.123 7.477 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.703 9.540 9.148 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.326 8.091 6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.052 8.416 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.995 11.067 8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.015 10.133 7.596 1.00 0.00 H new ATOM 404 N PRO A 24 -6.056 15.401 7.528 1.00 0.00 N ATOM 405 CA PRO A 24 -7.275 16.099 7.932 1.00 0.00 C ATOM 406 C PRO A 24 -7.991 15.387 9.073 1.00 0.00 C ATOM 407 O PRO A 24 -7.629 14.292 9.453 1.00 0.00 O ATOM 408 CB PRO A 24 -8.163 16.109 6.668 1.00 0.00 C ATOM 409 CG PRO A 24 -7.303 15.549 5.495 1.00 0.00 C ATOM 410 CD PRO A 24 -5.934 15.159 6.078 1.00 0.00 C ATOM 0 HA PRO A 24 -7.050 17.100 8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.053 15.498 6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.505 17.120 6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.788 14.685 5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.188 16.298 4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.699 14.115 5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.134 15.759 5.643 1.00 0.00 H new ATOM 418 N VAL A 25 -9.002 16.029 9.598 1.00 0.00 N ATOM 419 CA VAL A 25 -9.762 15.419 10.713 1.00 0.00 C ATOM 420 C VAL A 25 -10.826 14.463 10.195 1.00 0.00 C ATOM 421 O VAL A 25 -11.125 14.438 9.018 1.00 0.00 O ATOM 422 CB VAL A 25 -10.456 16.555 11.507 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.622 17.834 11.403 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.851 16.830 10.927 1.00 0.00 C ATOM 0 H VAL A 25 -9.329 16.948 9.299 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.073 14.858 11.345 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.548 16.248 12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.110 18.633 11.961 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.630 17.656 11.817 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.532 18.125 10.357 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.329 17.630 11.493 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.758 17.129 9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.457 15.926 10.993 1.00 0.00 H new ATOM 434 N LEU A 26 -11.378 13.693 11.091 1.00 0.00 N ATOM 435 CA LEU A 26 -12.422 12.734 10.681 1.00 0.00 C ATOM 436 C LEU A 26 -13.760 13.441 10.526 1.00 0.00 C ATOM 437 O LEU A 26 -14.202 13.705 9.426 1.00 0.00 O ATOM 438 CB LEU A 26 -12.557 11.648 11.768 1.00 0.00 C ATOM 439 CG LEU A 26 -11.940 12.148 13.077 1.00 0.00 C ATOM 440 CD1 LEU A 26 -12.427 11.263 14.228 1.00 0.00 C ATOM 441 CD2 LEU A 26 -10.405 12.068 12.994 1.00 0.00 C ATOM 0 H LEU A 26 -11.147 13.691 12.085 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.141 12.289 9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.608 11.402 11.921 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.059 10.734 11.446 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.239 13.182 13.247 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.992 11.612 15.165 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.514 11.314 14.291 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.122 10.232 14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.971 12.425 13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.103 11.034 12.825 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.052 12.688 12.170 1.00 0.00 H new ATOM 453 N ARG A 27 -14.377 13.740 11.638 1.00 0.00 N ATOM 454 CA ARG A 27 -15.689 14.434 11.583 1.00 0.00 C ATOM 455 C ARG A 27 -15.826 15.431 12.732 1.00 0.00 C ATOM 456 O ARG A 27 -16.743 16.229 12.758 1.00 0.00 O ATOM 457 CB ARG A 27 -16.799 13.380 11.712 1.00 0.00 C ATOM 458 CG ARG A 27 -16.563 12.277 10.679 1.00 0.00 C ATOM 459 CD ARG A 27 -17.834 11.440 10.538 1.00 0.00 C ATOM 460 NE ARG A 27 -18.310 11.048 11.894 1.00 0.00 N ATOM 461 CZ ARG A 27 -18.059 9.846 12.335 1.00 0.00 C ATOM 462 NH1 ARG A 27 -18.601 8.827 11.728 1.00 0.00 N ATOM 463 NH2 ARG A 27 -17.274 9.704 13.369 1.00 0.00 N ATOM 0 H ARG A 27 -14.029 13.534 12.575 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.766 14.975 10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.803 12.959 12.717 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.775 13.840 11.555 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.293 12.714 9.718 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.730 11.646 10.988 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -18.604 12.010 10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -17.635 10.552 9.938 1.00 0.00 H new ATOM 0 HE ARG A 27 -18.826 11.712 12.471 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -19.209 8.977 10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -18.417 7.880 12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.868 10.525 13.818 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.067 8.772 13.728 1.00 0.00 H new ATOM 477 N SER A 28 -14.907 15.368 13.662 1.00 0.00 N ATOM 478 CA SER A 28 -14.965 16.298 14.812 1.00 0.00 C ATOM 479 C SER A 28 -14.053 17.507 14.587 1.00 0.00 C ATOM 480 O SER A 28 -14.308 18.329 13.730 1.00 0.00 O ATOM 481 CB SER A 28 -14.487 15.536 16.057 1.00 0.00 C ATOM 482 OG SER A 28 -15.581 14.694 16.390 1.00 0.00 O ATOM 0 H SER A 28 -14.125 14.713 13.668 1.00 0.00 H new ATOM 0 HA SER A 28 -15.986 16.659 14.934 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.587 14.957 15.849 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.246 16.217 16.873 1.00 0.00 H new ATOM 0 HG SER A 28 -15.356 14.164 17.183 1.00 0.00 H new ATOM 488 N ASN A 29 -13.005 17.585 15.363 1.00 0.00 N ATOM 489 CA ASN A 29 -12.062 18.724 15.217 1.00 0.00 C ATOM 490 C ASN A 29 -10.655 18.296 15.604 1.00 0.00 C ATOM 491 O ASN A 29 -9.824 19.111 15.955 1.00 0.00 O ATOM 492 CB ASN A 29 -12.511 19.853 16.155 1.00 0.00 C ATOM 493 CG ASN A 29 -12.273 21.201 15.471 1.00 0.00 C ATOM 494 OD1 ASN A 29 -13.199 21.898 15.108 1.00 0.00 O ATOM 495 ND2 ASN A 29 -11.047 21.604 15.278 1.00 0.00 N ATOM 0 H ASN A 29 -12.764 16.910 16.089 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.060 19.060 14.180 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.566 19.738 16.402 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.957 19.805 17.093 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.870 22.500 14.824 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.265 21.023 15.581 1.00 0.00 H new ATOM 502 N ARG A 30 -10.420 17.020 15.532 1.00 0.00 N ATOM 503 CA ARG A 30 -9.084 16.494 15.885 1.00 0.00 C ATOM 504 C ARG A 30 -8.199 16.459 14.652 1.00 0.00 C ATOM 505 O ARG A 30 -8.580 16.918 13.605 1.00 0.00 O ATOM 506 CB ARG A 30 -9.261 15.048 16.384 1.00 0.00 C ATOM 507 CG ARG A 30 -10.218 15.023 17.592 1.00 0.00 C ATOM 508 CD ARG A 30 -9.482 15.472 18.862 1.00 0.00 C ATOM 509 NE ARG A 30 -10.284 15.059 20.050 1.00 0.00 N ATOM 510 CZ ARG A 30 -11.186 15.872 20.532 1.00 0.00 C ATOM 511 NH1 ARG A 30 -10.802 17.011 21.038 1.00 0.00 N ATOM 512 NH2 ARG A 30 -12.442 15.516 20.491 1.00 0.00 N ATOM 0 H ARG A 30 -11.101 16.318 15.242 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.628 17.128 16.645 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.656 14.424 15.583 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.294 14.631 16.666 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.068 15.679 17.405 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.615 14.017 17.730 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.489 15.024 18.902 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.344 16.553 18.857 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.129 14.148 20.483 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.812 17.254 21.053 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.492 17.658 21.419 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.704 14.617 20.088 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.161 16.137 20.862 1.00 0.00 H new ATOM 526 N VAL A 31 -7.029 15.932 14.811 1.00 0.00 N ATOM 527 CA VAL A 31 -6.087 15.847 13.657 1.00 0.00 C ATOM 528 C VAL A 31 -5.406 14.490 13.669 1.00 0.00 C ATOM 529 O VAL A 31 -4.999 14.019 14.712 1.00 0.00 O ATOM 530 CB VAL A 31 -5.021 16.950 13.792 1.00 0.00 C ATOM 531 CG1 VAL A 31 -4.981 17.766 12.496 1.00 0.00 C ATOM 532 CG2 VAL A 31 -5.386 17.876 14.957 1.00 0.00 C ATOM 0 H VAL A 31 -6.675 15.553 15.689 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.634 15.976 12.723 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.047 16.497 13.979 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.229 18.550 12.583 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.729 17.112 11.662 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.957 18.218 12.320 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.631 18.656 15.052 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.358 18.332 14.768 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.429 17.299 15.881 1.00 0.00 H new ATOM 542 N GLU A 32 -5.277 13.878 12.517 1.00 0.00 N ATOM 543 CA GLU A 32 -4.620 12.548 12.494 1.00 0.00 C ATOM 544 C GLU A 32 -3.132 12.677 12.265 1.00 0.00 C ATOM 545 O GLU A 32 -2.684 13.001 11.183 1.00 0.00 O ATOM 546 CB GLU A 32 -5.220 11.705 11.369 1.00 0.00 C ATOM 547 CG GLU A 32 -6.003 10.540 11.980 1.00 0.00 C ATOM 548 CD GLU A 32 -6.579 9.676 10.856 1.00 0.00 C ATOM 549 OE1 GLU A 32 -5.768 9.104 10.145 1.00 0.00 O ATOM 550 OE2 GLU A 32 -7.795 9.635 10.772 1.00 0.00 O ATOM 0 H GLU A 32 -5.592 14.236 11.615 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.785 12.071 13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.877 12.316 10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.430 11.328 10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.351 9.942 12.617 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.806 10.918 12.612 1.00 0.00 H new ATOM 557 N TYR A 33 -2.402 12.418 13.292 1.00 0.00 N ATOM 558 CA TYR A 33 -0.945 12.502 13.205 1.00 0.00 C ATOM 559 C TYR A 33 -0.417 11.139 12.866 1.00 0.00 C ATOM 560 O TYR A 33 -0.608 10.210 13.629 1.00 0.00 O ATOM 561 CB TYR A 33 -0.436 12.910 14.602 1.00 0.00 C ATOM 562 CG TYR A 33 1.050 13.301 14.575 1.00 0.00 C ATOM 563 CD1 TYR A 33 2.034 12.359 14.321 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.432 14.592 14.876 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.362 12.704 14.371 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.764 14.932 14.924 1.00 0.00 C ATOM 567 CZ TYR A 33 3.740 13.993 14.672 1.00 0.00 C ATOM 568 OH TYR A 33 5.074 14.336 14.728 1.00 0.00 O ATOM 0 H TYR A 33 -2.764 12.146 14.206 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.624 13.219 12.449 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.026 13.748 14.974 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.582 12.084 15.298 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.754 11.344 14.081 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.680 15.341 15.075 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.117 11.957 14.172 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.048 15.947 15.162 1.00 0.00 H new ATOM 0 HH TYR A 33 5.158 15.286 14.953 1.00 0.00 H new ATOM 578 N CYS A 34 0.232 11.011 11.738 1.00 0.00 N ATOM 579 CA CYS A 34 0.758 9.668 11.392 1.00 0.00 C ATOM 580 C CYS A 34 2.115 9.696 10.747 1.00 0.00 C ATOM 581 O CYS A 34 2.450 10.581 9.986 1.00 0.00 O ATOM 582 CB CYS A 34 -0.228 8.970 10.449 1.00 0.00 C ATOM 583 SG CYS A 34 -0.081 7.171 10.307 1.00 0.00 S ATOM 0 H CYS A 34 0.414 11.755 11.064 1.00 0.00 H new ATOM 0 HA CYS A 34 0.868 9.126 12.331 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.240 9.204 10.781 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.111 9.401 9.455 1.00 0.00 H new ATOM 588 N TRP A 35 2.874 8.692 11.083 1.00 0.00 N ATOM 589 CA TRP A 35 4.231 8.568 10.542 1.00 0.00 C ATOM 590 C TRP A 35 4.534 7.113 10.202 1.00 0.00 C ATOM 591 O TRP A 35 4.064 6.212 10.863 1.00 0.00 O ATOM 592 CB TRP A 35 5.215 9.029 11.618 1.00 0.00 C ATOM 593 CG TRP A 35 5.632 7.815 12.466 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.634 7.023 12.153 1.00 0.00 C ATOM 595 CD2 TRP A 35 5.057 7.433 13.591 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.660 6.121 13.145 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.690 6.311 14.106 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.979 7.974 14.274 1.00 0.00 C ATOM 599 CZ2 TRP A 35 5.257 5.746 15.287 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.550 7.403 15.457 1.00 0.00 C ATOM 601 CH2 TRP A 35 4.189 6.291 15.962 1.00 0.00 C ATOM 0 H TRP A 35 2.596 7.946 11.721 1.00 0.00 H new ATOM 0 HA TRP A 35 4.320 9.172 9.639 1.00 0.00 H new ATOM 0 HB2 TRP A 35 6.091 9.485 11.157 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.754 9.789 12.249 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.286 7.085 11.294 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.338 5.360 13.185 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.473 8.844 13.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.757 4.874 15.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.711 7.829 15.988 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.852 5.848 16.887 1.00 0.00 H new ATOM 612 N CYS A 36 5.320 6.911 9.187 1.00 0.00 N ATOM 613 CA CYS A 36 5.662 5.516 8.792 1.00 0.00 C ATOM 614 C CYS A 36 6.658 4.884 9.754 1.00 0.00 C ATOM 615 O CYS A 36 7.787 5.319 9.857 1.00 0.00 O ATOM 616 CB CYS A 36 6.305 5.550 7.411 1.00 0.00 C ATOM 617 SG CYS A 36 5.879 4.222 6.254 1.00 0.00 S ATOM 0 H CYS A 36 5.740 7.644 8.615 1.00 0.00 H new ATOM 0 HA CYS A 36 4.745 4.927 8.802 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.045 6.499 6.943 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.387 5.545 7.544 1.00 0.00 H new ATOM 622 N ASN A 37 6.230 3.856 10.433 1.00 0.00 N ATOM 623 CA ASN A 37 7.145 3.189 11.386 1.00 0.00 C ATOM 624 C ASN A 37 7.877 2.040 10.700 1.00 0.00 C ATOM 625 O ASN A 37 8.820 1.488 11.233 1.00 0.00 O ATOM 626 CB ASN A 37 6.309 2.629 12.548 1.00 0.00 C ATOM 627 CG ASN A 37 6.908 1.302 13.011 1.00 0.00 C ATOM 628 OD1 ASN A 37 7.999 1.254 13.543 1.00 0.00 O ATOM 629 ND2 ASN A 37 6.230 0.202 12.827 1.00 0.00 N ATOM 0 H ASN A 37 5.294 3.456 10.367 1.00 0.00 H new ATOM 0 HA ASN A 37 7.880 3.907 11.750 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.291 3.340 13.374 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.276 2.483 12.231 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.617 -0.692 13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.313 0.236 12.381 1.00 0.00 H new ATOM 636 N SER A 38 7.425 1.705 9.522 1.00 0.00 N ATOM 637 CA SER A 38 8.070 0.599 8.774 1.00 0.00 C ATOM 638 C SER A 38 7.451 0.469 7.389 1.00 0.00 C ATOM 639 O SER A 38 8.099 0.052 6.449 1.00 0.00 O ATOM 640 CB SER A 38 7.838 -0.710 9.543 1.00 0.00 C ATOM 641 OG SER A 38 9.128 -1.074 10.012 1.00 0.00 O ATOM 0 H SER A 38 6.639 2.151 9.050 1.00 0.00 H new ATOM 0 HA SER A 38 9.135 0.805 8.671 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.140 -0.568 10.368 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.417 -1.481 8.898 1.00 0.00 H new ATOM 0 HG SER A 38 9.477 -0.365 10.592 1.00 0.00 H new ATOM 647 N GLY A 39 6.202 0.836 7.290 1.00 0.00 N ATOM 648 CA GLY A 39 5.509 0.746 5.975 1.00 0.00 C ATOM 649 C GLY A 39 4.019 0.479 6.185 1.00 0.00 C ATOM 650 O GLY A 39 3.315 0.131 5.257 1.00 0.00 O ATOM 0 H GLY A 39 5.635 1.192 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.646 1.673 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.949 -0.052 5.377 1.00 0.00 H new ATOM 654 N ARG A 40 3.576 0.652 7.409 1.00 0.00 N ATOM 655 CA ARG A 40 2.138 0.419 7.723 1.00 0.00 C ATOM 656 C ARG A 40 1.483 1.700 8.222 1.00 0.00 C ATOM 657 O ARG A 40 0.337 1.700 8.627 1.00 0.00 O ATOM 658 CB ARG A 40 2.045 -0.653 8.826 1.00 0.00 C ATOM 659 CG ARG A 40 2.950 -0.268 10.003 1.00 0.00 C ATOM 660 CD ARG A 40 2.994 -1.430 10.996 1.00 0.00 C ATOM 661 NE ARG A 40 3.077 -0.883 12.380 1.00 0.00 N ATOM 662 CZ ARG A 40 3.386 -1.681 13.365 1.00 0.00 C ATOM 663 NH1 ARG A 40 4.645 -1.905 13.626 1.00 0.00 N ATOM 664 NH2 ARG A 40 2.424 -2.228 14.058 1.00 0.00 N ATOM 0 H ARG A 40 4.151 0.944 8.200 1.00 0.00 H new ATOM 0 HA ARG A 40 1.623 0.092 6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.014 -0.750 9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.343 -1.623 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.954 -0.039 9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.572 0.630 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.104 -2.050 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.854 -2.068 10.791 1.00 0.00 H new ATOM 0 HE ARG A 40 2.894 0.105 12.555 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.370 -1.459 13.064 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.904 -2.526 14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.451 -2.029 13.826 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.645 -2.855 14.832 1.00 0.00 H new ATOM 678 N ALA A 41 2.227 2.768 8.180 1.00 0.00 N ATOM 679 CA ALA A 41 1.680 4.064 8.643 1.00 0.00 C ATOM 680 C ALA A 41 1.216 4.002 10.103 1.00 0.00 C ATOM 681 O ALA A 41 0.142 3.516 10.400 1.00 0.00 O ATOM 682 CB ALA A 41 0.478 4.433 7.748 1.00 0.00 C ATOM 0 H ALA A 41 3.190 2.796 7.844 1.00 0.00 H new ATOM 0 HA ALA A 41 2.469 4.813 8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.061 5.386 8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.808 4.516 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.284 3.658 7.825 1.00 0.00 H new ATOM 688 N GLN A 42 2.047 4.490 10.987 1.00 0.00 N ATOM 689 CA GLN A 42 1.685 4.478 12.426 1.00 0.00 C ATOM 690 C GLN A 42 0.947 5.765 12.733 1.00 0.00 C ATOM 691 O GLN A 42 1.472 6.829 12.483 1.00 0.00 O ATOM 692 CB GLN A 42 2.989 4.431 13.246 1.00 0.00 C ATOM 693 CG GLN A 42 2.899 3.311 14.282 1.00 0.00 C ATOM 694 CD GLN A 42 1.808 3.647 15.299 1.00 0.00 C ATOM 695 OE1 GLN A 42 1.563 4.797 15.606 1.00 0.00 O ATOM 696 NE2 GLN A 42 1.129 2.675 15.845 1.00 0.00 N ATOM 0 H GLN A 42 2.958 4.895 10.770 1.00 0.00 H new ATOM 0 HA GLN A 42 1.059 3.620 12.670 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.840 4.263 12.586 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.154 5.387 13.742 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.675 2.364 13.791 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.857 3.190 14.787 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.330 1.708 15.592 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.398 2.883 16.525 1.00 0.00 H new ATOM 705 N CYS A 43 -0.254 5.668 13.277 1.00 0.00 N ATOM 706 CA CYS A 43 -0.992 6.927 13.577 1.00 0.00 C ATOM 707 C CYS A 43 -1.599 7.000 14.958 1.00 0.00 C ATOM 708 O CYS A 43 -1.921 6.009 15.586 1.00 0.00 O ATOM 709 CB CYS A 43 -2.144 7.064 12.561 1.00 0.00 C ATOM 710 SG CYS A 43 -1.885 6.453 10.869 1.00 0.00 S ATOM 0 H CYS A 43 -0.733 4.799 13.515 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.254 7.727 13.516 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.011 6.546 12.971 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.405 8.120 12.496 1.00 0.00 H new ATOM 715 N HIS A 44 -1.734 8.229 15.387 1.00 0.00 N ATOM 716 CA HIS A 44 -2.313 8.530 16.710 1.00 0.00 C ATOM 717 C HIS A 44 -3.108 9.802 16.555 1.00 0.00 C ATOM 718 O HIS A 44 -3.134 10.359 15.474 1.00 0.00 O ATOM 719 CB HIS A 44 -1.197 8.715 17.777 1.00 0.00 C ATOM 720 CG HIS A 44 -0.147 9.722 17.324 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.886 9.434 16.690 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.057 11.074 17.583 1.00 0.00 C ATOM 723 CE1 HIS A 44 1.626 10.447 16.520 1.00 0.00 C ATOM 724 NE2 HIS A 44 1.104 11.551 17.058 1.00 0.00 N ATOM 0 H HIS A 44 -1.456 9.052 14.852 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.944 7.709 17.049 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.641 9.049 18.715 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.720 7.755 17.975 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.791 11.660 18.117 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.572 10.421 15.999 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.477 12.500 17.072 1.00 0.00 H new ATOM 732 N SER A 45 -3.747 10.257 17.592 1.00 0.00 N ATOM 733 CA SER A 45 -4.533 11.512 17.430 1.00 0.00 C ATOM 734 C SER A 45 -4.476 12.429 18.639 1.00 0.00 C ATOM 735 O SER A 45 -4.823 12.050 19.742 1.00 0.00 O ATOM 736 CB SER A 45 -5.999 11.125 17.180 1.00 0.00 C ATOM 737 OG SER A 45 -6.102 11.048 15.765 1.00 0.00 O ATOM 0 H SER A 45 -3.763 9.832 18.519 1.00 0.00 H new ATOM 0 HA SER A 45 -4.096 12.063 16.597 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.245 10.173 17.650 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.683 11.869 17.589 1.00 0.00 H new ATOM 0 HG SER A 45 -5.227 10.825 15.385 1.00 0.00 H new ATOM 743 N VAL A 46 -4.024 13.630 18.383 1.00 0.00 N ATOM 744 CA VAL A 46 -3.913 14.646 19.450 1.00 0.00 C ATOM 745 C VAL A 46 -4.762 15.868 19.008 1.00 0.00 C ATOM 746 O VAL A 46 -4.652 16.293 17.876 1.00 0.00 O ATOM 747 CB VAL A 46 -2.435 15.077 19.567 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.276 16.027 20.757 1.00 0.00 C ATOM 749 CG2 VAL A 46 -1.554 13.841 19.788 1.00 0.00 C ATOM 0 H VAL A 46 -3.724 13.946 17.461 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.258 14.256 20.408 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.132 15.581 18.649 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.233 16.333 20.842 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.901 16.907 20.606 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.580 15.518 21.672 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.511 14.147 19.870 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.858 13.337 20.706 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.666 13.159 18.945 1.00 0.00 H new ATOM 759 N PRO A 47 -5.597 16.429 19.886 1.00 0.00 N ATOM 760 CA PRO A 47 -6.413 17.578 19.497 1.00 0.00 C ATOM 761 C PRO A 47 -5.579 18.713 18.929 1.00 0.00 C ATOM 762 O PRO A 47 -4.367 18.643 18.875 1.00 0.00 O ATOM 763 CB PRO A 47 -7.102 18.043 20.788 1.00 0.00 C ATOM 764 CG PRO A 47 -6.690 17.051 21.917 1.00 0.00 C ATOM 765 CD PRO A 47 -5.757 16.002 21.287 1.00 0.00 C ATOM 0 HA PRO A 47 -7.117 17.296 18.714 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.799 19.059 21.040 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.185 18.055 20.663 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.185 17.578 22.726 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.570 16.573 22.348 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.797 15.968 21.802 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.188 15.003 21.349 1.00 0.00 H new ATOM 773 N VAL A 48 -6.257 19.741 18.513 1.00 0.00 N ATOM 774 CA VAL A 48 -5.552 20.909 17.937 1.00 0.00 C ATOM 775 C VAL A 48 -5.022 21.830 19.032 1.00 0.00 C ATOM 776 O VAL A 48 -4.238 22.718 18.772 1.00 0.00 O ATOM 777 CB VAL A 48 -6.552 21.689 17.077 1.00 0.00 C ATOM 778 CG1 VAL A 48 -7.402 22.582 17.981 1.00 0.00 C ATOM 779 CG2 VAL A 48 -5.791 22.563 16.078 1.00 0.00 C ATOM 0 H VAL A 48 -7.273 19.821 18.548 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.706 20.558 17.346 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.193 20.992 16.538 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.116 23.140 17.374 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.941 21.964 18.700 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.756 23.279 18.514 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.501 23.118 15.466 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.153 23.262 16.618 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.175 21.932 15.437 1.00 0.00 H new ATOM 789 N LYS A 49 -5.462 21.602 20.241 1.00 0.00 N ATOM 790 CA LYS A 49 -4.993 22.456 21.359 1.00 0.00 C ATOM 791 C LYS A 49 -5.208 23.932 21.038 1.00 0.00 C ATOM 792 O LYS A 49 -4.412 24.539 20.349 1.00 0.00 O ATOM 793 CB LYS A 49 -3.492 22.203 21.550 1.00 0.00 C ATOM 794 CG LYS A 49 -3.023 22.847 22.863 1.00 0.00 C ATOM 795 CD LYS A 49 -3.661 22.124 24.060 1.00 0.00 C ATOM 796 CE LYS A 49 -2.660 22.100 25.215 1.00 0.00 C ATOM 797 NZ LYS A 49 -1.918 23.389 25.287 1.00 0.00 N ATOM 0 H LYS A 49 -6.121 20.866 20.497 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.553 22.212 22.262 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.293 21.131 21.568 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.934 22.617 20.710 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.936 22.797 22.934 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.295 23.902 22.878 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.575 22.633 24.364 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.940 21.108 23.782 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.183 21.922 26.154 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.959 21.277 25.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.652 23.582 26.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.060 23.329 24.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.523 24.158 24.935 1.00 0.00 H new ATOM 811 N SER A 50 -6.282 24.483 21.539 1.00 0.00 N ATOM 812 CA SER A 50 -6.558 25.917 21.270 1.00 0.00 C ATOM 813 C SER A 50 -5.345 26.773 21.606 1.00 0.00 C ATOM 814 O SER A 50 -4.927 26.694 22.750 1.00 0.00 O ATOM 815 CB SER A 50 -7.735 26.359 22.155 1.00 0.00 C ATOM 816 OG SER A 50 -8.888 26.070 21.375 1.00 0.00 O ATOM 817 OXT SER A 50 -4.899 27.459 20.702 1.00 0.00 O ATOM 0 H SER A 50 -6.972 24.004 22.117 1.00 0.00 H new ATOM 0 HA SER A 50 -6.793 26.042 20.213 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.748 25.816 23.100 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.674 27.420 22.397 1.00 0.00 H new ATOM 0 HG SER A 50 -9.692 26.324 21.874 1.00 0.00 H new TER 823 SER A 50