USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 ASN : amide:sc= -0.661! C(o=-1.6!,f=-5.6!) USER MOD Set 1.2: A 69 CYS SG : rot -170:sc= -0.975! USER MOD Set 2.1: A 58 LYS NZ :NH3+ -157:sc= 1.35 (180deg=0.817) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.79! C(o=-0.45!,f=-3!) USER MOD Set 3.1: A 52 SER OG : rot -172:sc= 0.83 USER MOD Set 3.2: A 70 THR OG1 : rot 38:sc= 0.91 USER MOD Set 4.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 71 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00147) USER MOD Single : A 3 LYS NZ :NH3+ 139:sc= 1.18 (180deg=0.155) USER MOD Single : A 7 THR OG1 : rot 30:sc= 1.29 USER MOD Single : A 8 SER OG : rot 129:sc= 0.573 USER MOD Single : A 15 SER OG : rot 36:sc= 0.191 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 1.83 (180deg=1.77) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc=-0.00876 K(o=-0.0088,f=-0.93) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= 0.653 (180deg=0.37) USER MOD Single : A 25 SER OG : rot 69:sc= -0.249 USER MOD Single : A 26 ASN : amide:sc= 0.651 K(o=0.65,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.596 (180deg=0.592) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00224 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0.755 (180deg=0.274) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.3!) USER MOD Single : A 42 SER OG : rot -84:sc= 1.27 USER MOD Single : A 45 TYR OH : rot 180:sc= 0.04 USER MOD Single : A 50 THR OG1 : rot -67:sc= 0.772 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.26) USER MOD Single : A 63 THR OG1 : rot -91:sc= 1.05 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.194 F(o=-3.3!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.921 -0.752 6.506 1.00 0.00 N ATOM 39 CA LYS A 3 -18.661 -0.424 5.860 1.00 0.00 C ATOM 40 C LYS A 3 -17.542 -1.315 6.396 1.00 0.00 C ATOM 41 O LYS A 3 -17.398 -1.485 7.611 1.00 0.00 O ATOM 42 CB LYS A 3 -18.297 1.050 6.074 1.00 0.00 C ATOM 43 CG LYS A 3 -19.080 2.033 5.214 1.00 0.00 C ATOM 44 CD LYS A 3 -18.541 3.449 5.387 1.00 0.00 C ATOM 45 CE LYS A 3 -18.918 4.364 4.226 1.00 0.00 C ATOM 46 NZ LYS A 3 -20.372 4.684 4.182 1.00 0.00 N ATOM 0 HA LYS A 3 -18.779 -0.598 4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.456 1.300 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.234 1.180 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.015 1.739 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.135 2.004 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.925 3.869 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.455 3.412 5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.350 5.291 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.628 3.890 3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.499 5.688 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.836 4.094 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.797 4.494 5.112 1.00 0.00 H new ATOM 60 N ASP A 4 -16.757 -1.877 5.484 1.00 0.00 N ATOM 61 CA ASP A 4 -15.666 -2.777 5.843 1.00 0.00 C ATOM 62 C ASP A 4 -14.318 -2.108 5.593 1.00 0.00 C ATOM 63 O ASP A 4 -14.257 -0.965 5.162 1.00 0.00 O ATOM 64 CB ASP A 4 -15.762 -4.078 5.032 1.00 0.00 C ATOM 65 CG ASP A 4 -15.512 -3.871 3.547 1.00 0.00 C ATOM 66 OD1 ASP A 4 -16.399 -3.325 2.862 1.00 0.00 O ATOM 67 OD2 ASP A 4 -14.432 -4.272 3.063 1.00 0.00 O ATOM 0 H ASP A 4 -16.857 -1.723 4.481 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.749 -3.013 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.039 -4.796 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.751 -4.514 5.171 1.00 0.00 H new ATOM 72 N ILE A 5 -13.240 -2.814 5.875 1.00 0.00 N ATOM 73 CA ILE A 5 -11.906 -2.280 5.658 1.00 0.00 C ATOM 74 C ILE A 5 -11.310 -2.858 4.383 1.00 0.00 C ATOM 75 O ILE A 5 -11.072 -4.063 4.283 1.00 0.00 O ATOM 76 CB ILE A 5 -10.967 -2.565 6.854 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.407 -1.760 8.080 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.518 -2.248 6.500 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.357 -0.260 7.867 1.00 0.00 C ATOM 0 H ILE A 5 -13.260 -3.760 6.255 1.00 0.00 H new ATOM 0 HA ILE A 5 -12.000 -1.198 5.560 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.032 -3.627 7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.424 -2.047 8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.769 -2.021 8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.880 -2.457 7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.206 -2.865 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.431 -1.195 6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.682 0.248 8.775 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.337 0.040 7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.017 0.013 7.043 1.00 0.00 H new ATOM 91 N PHE A 6 -11.079 -1.992 3.412 1.00 0.00 N ATOM 92 CA PHE A 6 -10.509 -2.412 2.147 1.00 0.00 C ATOM 93 C PHE A 6 -9.007 -2.619 2.290 1.00 0.00 C ATOM 94 O PHE A 6 -8.279 -1.712 2.699 1.00 0.00 O ATOM 95 CB PHE A 6 -10.805 -1.378 1.053 1.00 0.00 C ATOM 96 CG PHE A 6 -10.198 -1.712 -0.280 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.803 -2.629 -1.121 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.019 -1.111 -0.686 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.243 -2.944 -2.342 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.456 -1.420 -1.907 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.068 -2.338 -2.737 1.00 0.00 C ATOM 0 H PHE A 6 -11.278 -0.994 3.477 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.966 -3.358 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.885 -1.286 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.435 -0.405 1.376 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.725 -3.104 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.535 -0.393 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.724 -3.664 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.536 -0.944 -2.214 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.628 -2.581 -3.693 1.00 0.00 H new ATOM 111 N THR A 7 -8.553 -3.817 1.973 1.00 0.00 N ATOM 112 CA THR A 7 -7.141 -4.138 2.026 1.00 0.00 C ATOM 113 C THR A 7 -6.766 -5.039 0.849 1.00 0.00 C ATOM 114 O THR A 7 -7.512 -5.955 0.493 1.00 0.00 O ATOM 115 CB THR A 7 -6.762 -4.816 3.366 1.00 0.00 C ATOM 116 OG1 THR A 7 -5.372 -5.161 3.369 1.00 0.00 O ATOM 117 CG2 THR A 7 -7.604 -6.059 3.620 1.00 0.00 C ATOM 0 H THR A 7 -9.148 -4.589 1.674 1.00 0.00 H new ATOM 0 HA THR A 7 -6.580 -3.206 1.958 1.00 0.00 H new ATOM 0 HB THR A 7 -6.961 -4.104 4.167 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.875 -4.522 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.311 -6.509 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.658 -5.783 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.447 -6.776 2.814 1.00 0.00 H new ATOM 125 N SER A 8 -5.628 -4.756 0.230 1.00 0.00 N ATOM 126 CA SER A 8 -5.169 -5.512 -0.931 1.00 0.00 C ATOM 127 C SER A 8 -3.651 -5.448 -1.025 1.00 0.00 C ATOM 128 O SER A 8 -3.005 -4.804 -0.201 1.00 0.00 O ATOM 129 CB SER A 8 -5.797 -4.946 -2.210 1.00 0.00 C ATOM 130 OG SER A 8 -7.214 -4.972 -2.137 1.00 0.00 O ATOM 0 H SER A 8 -5.001 -4.003 0.514 1.00 0.00 H new ATOM 0 HA SER A 8 -5.475 -6.552 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.456 -3.922 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.463 -5.526 -3.070 1.00 0.00 H new ATOM 0 HG SER A 8 -7.570 -4.088 -2.366 1.00 0.00 H new ATOM 136 N VAL A 9 -3.082 -6.114 -2.014 1.00 0.00 N ATOM 137 CA VAL A 9 -1.649 -6.051 -2.233 1.00 0.00 C ATOM 138 C VAL A 9 -1.347 -5.287 -3.523 1.00 0.00 C ATOM 139 O VAL A 9 -1.949 -5.545 -4.566 1.00 0.00 O ATOM 140 CB VAL A 9 -1.017 -7.465 -2.268 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.589 -8.307 -3.399 1.00 0.00 C ATOM 142 CG2 VAL A 9 0.497 -7.381 -2.374 1.00 0.00 C ATOM 0 H VAL A 9 -3.588 -6.702 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.201 -5.516 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.269 -7.958 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.122 -9.292 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.665 -8.415 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.390 -7.818 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.917 -8.387 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.769 -6.854 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.893 -6.842 -1.513 1.00 0.00 H new ATOM 152 N VAL A 10 -0.442 -4.324 -3.440 1.00 0.00 N ATOM 153 CA VAL A 10 -0.100 -3.502 -4.592 1.00 0.00 C ATOM 154 C VAL A 10 1.376 -3.681 -4.947 1.00 0.00 C ATOM 155 O VAL A 10 2.179 -4.096 -4.108 1.00 0.00 O ATOM 156 CB VAL A 10 -0.418 -2.006 -4.330 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.533 -1.413 -3.301 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.388 -1.199 -5.621 1.00 0.00 C ATOM 0 H VAL A 10 0.069 -4.092 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.709 -3.829 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.429 -1.953 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.285 -0.364 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.438 -1.958 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.558 -1.492 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.615 -0.155 -5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.602 -1.269 -6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.130 -1.594 -6.315 1.00 0.00 H new ATOM 168 N ARG A 11 1.725 -3.386 -6.190 1.00 0.00 N ATOM 169 CA ARG A 11 3.092 -3.542 -6.664 1.00 0.00 C ATOM 170 C ARG A 11 3.938 -2.345 -6.244 1.00 0.00 C ATOM 171 O ARG A 11 3.572 -1.197 -6.497 1.00 0.00 O ATOM 172 CB ARG A 11 3.111 -3.692 -8.187 1.00 0.00 C ATOM 173 CG ARG A 11 2.257 -4.844 -8.694 1.00 0.00 C ATOM 174 CD ARG A 11 2.238 -4.901 -10.213 1.00 0.00 C ATOM 175 NE ARG A 11 1.308 -5.913 -10.714 1.00 0.00 N ATOM 176 CZ ARG A 11 0.389 -5.680 -11.651 1.00 0.00 C ATOM 177 NH1 ARG A 11 0.301 -4.485 -12.219 1.00 0.00 N ATOM 178 NH2 ARG A 11 -0.430 -6.644 -12.042 1.00 0.00 N ATOM 0 H ARG A 11 1.075 -3.035 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 11 3.514 -4.442 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.761 -2.764 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.139 -3.840 -8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.642 -5.784 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.239 -4.734 -8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.958 -3.925 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.241 -5.118 -10.580 1.00 0.00 H new ATOM 0 HE ARG A 11 1.366 -6.853 -10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.938 -3.739 -11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.404 -4.312 -12.936 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.360 -7.573 -11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.131 -6.458 -12.760 1.00 0.00 H new ATOM 192 N VAL A 12 5.069 -2.621 -5.606 1.00 0.00 N ATOM 193 CA VAL A 12 5.935 -1.565 -5.104 1.00 0.00 C ATOM 194 C VAL A 12 6.857 -1.076 -6.215 1.00 0.00 C ATOM 195 O VAL A 12 7.492 -1.878 -6.903 1.00 0.00 O ATOM 196 CB VAL A 12 6.798 -2.046 -3.912 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.382 -0.863 -3.161 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.996 -2.929 -2.969 1.00 0.00 C ATOM 0 H VAL A 12 5.406 -3.566 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 12 5.293 -0.754 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 12 7.617 -2.642 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.985 -1.223 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.007 -0.277 -3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.574 -0.238 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.631 -3.250 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.148 -2.367 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.634 -3.804 -3.509 1.00 0.00 H new ATOM 208 N ARG A 13 6.922 0.233 -6.393 1.00 0.00 N ATOM 209 CA ARG A 13 7.760 0.821 -7.431 1.00 0.00 C ATOM 210 C ARG A 13 8.992 1.489 -6.810 1.00 0.00 C ATOM 211 O ARG A 13 8.983 1.856 -5.639 1.00 0.00 O ATOM 212 CB ARG A 13 6.933 1.833 -8.240 1.00 0.00 C ATOM 213 CG ARG A 13 7.707 2.527 -9.349 1.00 0.00 C ATOM 214 CD ARG A 13 6.797 3.346 -10.251 1.00 0.00 C ATOM 215 NE ARG A 13 6.078 4.393 -9.523 1.00 0.00 N ATOM 216 CZ ARG A 13 6.515 5.648 -9.394 1.00 0.00 C ATOM 217 NH1 ARG A 13 7.692 6.002 -9.901 1.00 0.00 N ATOM 218 NH2 ARG A 13 5.778 6.551 -8.758 1.00 0.00 N ATOM 0 H ARG A 13 6.405 0.911 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 13 8.111 0.037 -8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.077 1.319 -8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.538 2.588 -7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.464 3.177 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.233 1.782 -9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.391 3.802 -11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.078 2.684 -10.733 1.00 0.00 H new ATOM 0 HE ARG A 13 5.189 4.149 -9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.264 5.314 -10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.023 6.962 -9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.874 6.287 -8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.116 7.509 -8.662 1.00 0.00 H new ATOM 232 N GLY A 14 10.064 1.616 -7.583 1.00 0.00 N ATOM 233 CA GLY A 14 11.239 2.315 -7.099 1.00 0.00 C ATOM 234 C GLY A 14 12.389 1.382 -6.779 1.00 0.00 C ATOM 235 O GLY A 14 12.246 0.161 -6.853 1.00 0.00 O ATOM 0 H GLY A 14 10.141 1.249 -8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.561 3.037 -7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.977 2.880 -6.205 1.00 0.00 H new ATOM 239 N SER A 15 13.527 1.955 -6.415 1.00 0.00 N ATOM 240 CA SER A 15 14.710 1.176 -6.096 1.00 0.00 C ATOM 241 C SER A 15 14.628 0.611 -4.679 1.00 0.00 C ATOM 242 O SER A 15 14.772 1.332 -3.690 1.00 0.00 O ATOM 243 CB SER A 15 15.973 2.027 -6.275 1.00 0.00 C ATOM 244 OG SER A 15 15.871 3.259 -5.580 1.00 0.00 O ATOM 0 H SER A 15 13.654 2.964 -6.334 1.00 0.00 H new ATOM 0 HA SER A 15 14.762 0.334 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.840 1.474 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.137 2.218 -7.335 1.00 0.00 H new ATOM 0 HG SER A 15 15.386 3.121 -4.739 1.00 0.00 H new ATOM 250 N LYS A 16 14.362 -0.684 -4.601 1.00 0.00 N ATOM 251 CA LYS A 16 14.268 -1.394 -3.334 1.00 0.00 C ATOM 252 C LYS A 16 14.382 -2.893 -3.573 1.00 0.00 C ATOM 253 O LYS A 16 14.600 -3.329 -4.703 1.00 0.00 O ATOM 254 CB LYS A 16 12.950 -1.074 -2.600 1.00 0.00 C ATOM 255 CG LYS A 16 11.731 -0.863 -3.499 1.00 0.00 C ATOM 256 CD LYS A 16 11.530 -1.993 -4.496 1.00 0.00 C ATOM 257 CE LYS A 16 10.183 -1.882 -5.182 1.00 0.00 C ATOM 258 NZ LYS A 16 10.102 -2.707 -6.414 1.00 0.00 N ATOM 0 H LYS A 16 14.205 -1.274 -5.418 1.00 0.00 H new ATOM 0 HA LYS A 16 15.090 -1.061 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.733 -1.888 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.097 -0.176 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.840 -0.770 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.843 0.077 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.324 -1.970 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.602 -2.952 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.400 -2.191 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.992 -0.839 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.209 -2.506 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.902 -2.479 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.138 -3.715 -6.160 1.00 0.00 H new ATOM 272 N LYS A 17 14.219 -3.676 -2.519 1.00 0.00 N ATOM 273 CA LYS A 17 14.269 -5.127 -2.627 1.00 0.00 C ATOM 274 C LYS A 17 12.944 -5.749 -2.196 1.00 0.00 C ATOM 275 O LYS A 17 12.907 -6.787 -1.536 1.00 0.00 O ATOM 276 CB LYS A 17 15.447 -5.672 -1.816 1.00 0.00 C ATOM 277 CG LYS A 17 16.768 -5.545 -2.564 1.00 0.00 C ATOM 278 CD LYS A 17 17.973 -5.890 -1.705 1.00 0.00 C ATOM 279 CE LYS A 17 18.327 -4.764 -0.748 1.00 0.00 C ATOM 280 NZ LYS A 17 19.689 -4.936 -0.178 1.00 0.00 N ATOM 0 H LYS A 17 14.050 -3.330 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 17 14.426 -5.401 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.514 -5.135 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 17 15.267 -6.720 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.750 -6.200 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.873 -4.525 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.767 -6.797 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 17 18.828 -6.103 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.269 -3.810 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.596 -4.729 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.896 -4.149 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.737 -5.835 0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 20.389 -4.944 -0.947 1.00 0.00 H new ATOM 294 N TYR A 18 11.855 -5.100 -2.591 1.00 0.00 N ATOM 295 CA TYR A 18 10.505 -5.615 -2.379 1.00 0.00 C ATOM 296 C TYR A 18 9.734 -5.569 -3.689 1.00 0.00 C ATOM 297 O TYR A 18 10.044 -4.764 -4.559 1.00 0.00 O ATOM 298 CB TYR A 18 9.772 -4.812 -1.298 1.00 0.00 C ATOM 299 CG TYR A 18 9.826 -5.450 0.072 1.00 0.00 C ATOM 300 CD1 TYR A 18 10.899 -5.232 0.929 1.00 0.00 C ATOM 301 CD2 TYR A 18 8.798 -6.276 0.508 1.00 0.00 C ATOM 302 CE1 TYR A 18 10.941 -5.820 2.180 1.00 0.00 C ATOM 303 CE2 TYR A 18 8.833 -6.865 1.756 1.00 0.00 C ATOM 304 CZ TYR A 18 9.907 -6.633 2.588 1.00 0.00 C ATOM 305 OH TYR A 18 9.944 -7.216 3.836 1.00 0.00 O ATOM 0 H TYR A 18 11.882 -4.199 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 18 10.574 -6.647 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.206 -3.814 -1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.729 -4.690 -1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 18 11.711 -4.594 0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.955 -6.461 -0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.781 -5.642 2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.024 -7.504 2.078 1.00 0.00 H new ATOM 0 HH TYR A 18 9.138 -7.758 3.968 1.00 0.00 H new ATOM 315 N ASN A 19 8.742 -6.430 -3.846 1.00 0.00 N ATOM 316 CA ASN A 19 8.009 -6.496 -5.104 1.00 0.00 C ATOM 317 C ASN A 19 6.558 -6.080 -4.924 1.00 0.00 C ATOM 318 O ASN A 19 6.029 -5.281 -5.697 1.00 0.00 O ATOM 319 CB ASN A 19 8.097 -7.899 -5.709 1.00 0.00 C ATOM 320 CG ASN A 19 9.500 -8.242 -6.182 1.00 0.00 C ATOM 321 OD1 ASN A 19 10.273 -7.367 -6.583 1.00 0.00 O ATOM 322 ND2 ASN A 19 9.844 -9.519 -6.137 1.00 0.00 N ATOM 0 H ASN A 19 8.427 -7.085 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 19 8.473 -5.792 -5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.778 -8.632 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.406 -7.973 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.774 -9.808 -6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.179 -10.215 -5.800 1.00 0.00 H new ATOM 329 N VAL A 20 5.926 -6.609 -3.893 1.00 0.00 N ATOM 330 CA VAL A 20 4.528 -6.303 -3.608 1.00 0.00 C ATOM 331 C VAL A 20 4.325 -6.000 -2.124 1.00 0.00 C ATOM 332 O VAL A 20 4.958 -6.613 -1.259 1.00 0.00 O ATOM 333 CB VAL A 20 3.583 -7.451 -4.035 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.539 -7.583 -5.551 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.001 -8.768 -3.399 1.00 0.00 C ATOM 0 H VAL A 20 6.357 -7.256 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 20 4.277 -5.419 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 20 2.581 -7.205 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.868 -8.397 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.178 -6.652 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.540 -7.795 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.320 -9.558 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.015 -9.017 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.968 -8.675 -2.314 1.00 0.00 H new ATOM 345 N VAL A 21 3.460 -5.040 -1.835 1.00 0.00 N ATOM 346 CA VAL A 21 3.209 -4.631 -0.463 1.00 0.00 C ATOM 347 C VAL A 21 1.708 -4.605 -0.152 1.00 0.00 C ATOM 348 O VAL A 21 0.901 -4.154 -0.971 1.00 0.00 O ATOM 349 CB VAL A 21 3.832 -3.241 -0.186 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.191 -2.158 -1.041 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.729 -2.894 1.284 1.00 0.00 C ATOM 0 H VAL A 21 2.920 -4.529 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 21 3.678 -5.367 0.190 1.00 0.00 H new ATOM 0 HB VAL A 21 4.886 -3.292 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.654 -1.197 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.334 -2.394 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.124 -2.106 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.172 -1.914 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.680 -2.876 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.260 -3.642 1.873 1.00 0.00 H new ATOM 361 N PRO A 22 1.311 -5.120 1.024 1.00 0.00 N ATOM 362 CA PRO A 22 -0.077 -5.060 1.483 1.00 0.00 C ATOM 363 C PRO A 22 -0.473 -3.669 1.987 1.00 0.00 C ATOM 364 O PRO A 22 0.172 -3.100 2.873 1.00 0.00 O ATOM 365 CB PRO A 22 -0.117 -6.076 2.625 1.00 0.00 C ATOM 366 CG PRO A 22 1.274 -6.108 3.156 1.00 0.00 C ATOM 367 CD PRO A 22 2.179 -5.837 1.982 1.00 0.00 C ATOM 0 HA PRO A 22 -0.779 -5.274 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.828 -5.777 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.427 -7.059 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.411 -5.357 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.497 -7.076 3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.039 -5.233 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.568 -6.762 1.555 1.00 0.00 H new ATOM 375 N VAL A 23 -1.539 -3.133 1.412 1.00 0.00 N ATOM 376 CA VAL A 23 -2.069 -1.837 1.807 1.00 0.00 C ATOM 377 C VAL A 23 -3.448 -2.007 2.431 1.00 0.00 C ATOM 378 O VAL A 23 -4.079 -3.060 2.291 1.00 0.00 O ATOM 379 CB VAL A 23 -2.165 -0.869 0.605 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.794 -0.651 -0.010 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.139 -1.393 -0.441 1.00 0.00 C ATOM 0 H VAL A 23 -2.060 -3.583 0.660 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.381 -1.408 2.536 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.541 0.087 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.879 0.033 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.124 -0.224 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.394 -1.605 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.188 -0.693 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.799 -2.364 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.129 -1.497 0.003 1.00 0.00 H new ATOM 391 N LYS A 24 -3.911 -0.978 3.115 1.00 0.00 N ATOM 392 CA LYS A 24 -5.197 -1.031 3.789 1.00 0.00 C ATOM 393 C LYS A 24 -5.873 0.332 3.745 1.00 0.00 C ATOM 394 O LYS A 24 -5.308 1.297 3.232 1.00 0.00 O ATOM 395 CB LYS A 24 -5.020 -1.478 5.244 1.00 0.00 C ATOM 396 CG LYS A 24 -4.253 -0.483 6.104 1.00 0.00 C ATOM 397 CD LYS A 24 -4.038 -1.008 7.518 1.00 0.00 C ATOM 398 CE LYS A 24 -5.353 -1.298 8.230 1.00 0.00 C ATOM 399 NZ LYS A 24 -6.192 -0.080 8.388 1.00 0.00 N ATOM 0 H LYS A 24 -3.415 -0.093 3.219 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.827 -1.755 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.003 -1.644 5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.498 -2.435 5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.288 -0.272 5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.799 0.459 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.440 -1.918 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.469 -0.277 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.909 -2.049 7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.145 -1.723 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.877 -0.227 9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.585 0.733 8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.702 0.107 7.501 1.00 0.00 H new ATOM 413 N SER A 25 -7.064 0.411 4.310 1.00 0.00 N ATOM 414 CA SER A 25 -7.780 1.668 4.390 1.00 0.00 C ATOM 415 C SER A 25 -7.798 2.142 5.836 1.00 0.00 C ATOM 416 O SER A 25 -8.007 1.349 6.754 1.00 0.00 O ATOM 417 CB SER A 25 -9.207 1.489 3.877 1.00 0.00 C ATOM 418 OG SER A 25 -9.207 0.900 2.587 1.00 0.00 O ATOM 0 H SER A 25 -7.555 -0.383 4.721 1.00 0.00 H new ATOM 0 HA SER A 25 -7.280 2.413 3.771 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.771 0.862 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.709 2.456 3.841 1.00 0.00 H new ATOM 0 HG SER A 25 -8.905 -0.030 2.652 1.00 0.00 H new ATOM 424 N ASN A 26 -7.516 3.421 6.034 1.00 0.00 N ATOM 425 CA ASN A 26 -7.505 4.007 7.368 1.00 0.00 C ATOM 426 C ASN A 26 -8.921 4.107 7.911 1.00 0.00 C ATOM 427 O ASN A 26 -9.164 3.880 9.096 1.00 0.00 O ATOM 428 CB ASN A 26 -6.835 5.392 7.354 1.00 0.00 C ATOM 429 CG ASN A 26 -7.535 6.399 6.450 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.175 6.036 5.463 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.418 7.672 6.781 1.00 0.00 N ATOM 0 H ASN A 26 -7.291 4.076 5.285 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.924 3.357 8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.810 5.785 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.800 5.283 7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.866 8.390 6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.880 7.937 7.606 1.00 0.00 H new ATOM 438 N LYS A 27 -9.849 4.428 7.030 1.00 0.00 N ATOM 439 CA LYS A 27 -11.248 4.517 7.389 1.00 0.00 C ATOM 440 C LYS A 27 -12.039 3.496 6.583 1.00 0.00 C ATOM 441 O LYS A 27 -11.641 3.141 5.473 1.00 0.00 O ATOM 442 CB LYS A 27 -11.766 5.937 7.147 1.00 0.00 C ATOM 443 CG LYS A 27 -11.102 6.975 8.040 1.00 0.00 C ATOM 444 CD LYS A 27 -11.610 8.381 7.758 1.00 0.00 C ATOM 445 CE LYS A 27 -11.201 8.862 6.375 1.00 0.00 C ATOM 446 NZ LYS A 27 -11.608 10.273 6.138 1.00 0.00 N ATOM 0 H LYS A 27 -9.654 4.633 6.050 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.371 4.296 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.600 6.205 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.843 5.958 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.287 6.726 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.023 6.943 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.697 8.399 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.221 9.066 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.120 8.772 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.654 8.221 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.282 10.575 5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.644 10.348 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.183 10.884 6.865 1.00 0.00 H new ATOM 460 N PRO A 28 -13.151 2.996 7.134 1.00 0.00 N ATOM 461 CA PRO A 28 -13.942 1.944 6.493 1.00 0.00 C ATOM 462 C PRO A 28 -14.624 2.408 5.207 1.00 0.00 C ATOM 463 O PRO A 28 -15.141 3.525 5.120 1.00 0.00 O ATOM 464 CB PRO A 28 -14.974 1.576 7.562 1.00 0.00 C ATOM 465 CG PRO A 28 -15.094 2.790 8.411 1.00 0.00 C ATOM 466 CD PRO A 28 -13.728 3.413 8.426 1.00 0.00 C ATOM 0 HA PRO A 28 -13.320 1.106 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.931 1.312 7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.648 0.716 8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.834 3.480 8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.418 2.532 9.419 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.782 4.498 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.132 3.057 9.266 1.00 0.00 H new ATOM 474 N VAL A 29 -14.615 1.530 4.217 1.00 0.00 N ATOM 475 CA VAL A 29 -15.189 1.804 2.912 1.00 0.00 C ATOM 476 C VAL A 29 -16.395 0.901 2.690 1.00 0.00 C ATOM 477 O VAL A 29 -16.672 0.023 3.499 1.00 0.00 O ATOM 478 CB VAL A 29 -14.174 1.536 1.782 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.289 2.595 0.698 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.754 1.448 2.324 1.00 0.00 C ATOM 0 H VAL A 29 -14.205 0.599 4.299 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.477 2.855 2.889 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.410 0.570 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.565 2.389 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.295 2.580 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.089 3.577 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.062 1.258 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.491 2.387 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.690 0.635 3.047 1.00 0.00 H new ATOM 490 N GLU A 30 -17.115 1.114 1.603 1.00 0.00 N ATOM 491 CA GLU A 30 -18.224 0.240 1.267 1.00 0.00 C ATOM 492 C GLU A 30 -17.788 -0.782 0.229 1.00 0.00 C ATOM 493 O GLU A 30 -17.113 -0.438 -0.746 1.00 0.00 O ATOM 494 CB GLU A 30 -19.418 1.048 0.759 1.00 0.00 C ATOM 495 CG GLU A 30 -19.894 2.076 1.766 1.00 0.00 C ATOM 496 CD GLU A 30 -21.187 2.755 1.376 1.00 0.00 C ATOM 497 OE1 GLU A 30 -21.508 2.794 0.169 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.886 3.255 2.281 1.00 0.00 O ATOM 0 H GLU A 30 -16.954 1.876 0.944 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.534 -0.288 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.144 1.552 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.238 0.369 0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.026 1.590 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.120 2.833 1.893 1.00 0.00 H new ATOM 505 N ILE A 31 -18.185 -2.030 0.450 1.00 0.00 N ATOM 506 CA ILE A 31 -17.828 -3.140 -0.431 1.00 0.00 C ATOM 507 C ILE A 31 -18.246 -2.872 -1.882 1.00 0.00 C ATOM 508 O ILE A 31 -17.693 -3.452 -2.816 1.00 0.00 O ATOM 509 CB ILE A 31 -18.464 -4.461 0.070 1.00 0.00 C ATOM 510 CG1 ILE A 31 -18.019 -5.650 -0.794 1.00 0.00 C ATOM 511 CG2 ILE A 31 -19.986 -4.347 0.096 1.00 0.00 C ATOM 512 CD1 ILE A 31 -18.541 -6.987 -0.307 1.00 0.00 C ATOM 0 H ILE A 31 -18.764 -2.303 1.245 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.742 -3.236 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.116 -4.640 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.356 -5.490 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -16.930 -5.682 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.415 -5.284 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -20.279 -3.538 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -20.352 -4.137 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.186 -7.779 -0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.183 -7.170 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.631 -6.975 -0.309 1.00 0.00 H new ATOM 524 N SER A 32 -19.205 -1.973 -2.064 1.00 0.00 N ATOM 525 CA SER A 32 -19.682 -1.602 -3.389 1.00 0.00 C ATOM 526 C SER A 32 -18.542 -1.086 -4.274 1.00 0.00 C ATOM 527 O SER A 32 -18.546 -1.284 -5.489 1.00 0.00 O ATOM 528 CB SER A 32 -20.764 -0.532 -3.253 1.00 0.00 C ATOM 529 OG SER A 32 -21.753 -0.929 -2.312 1.00 0.00 O ATOM 0 H SER A 32 -19.672 -1.483 -1.301 1.00 0.00 H new ATOM 0 HA SER A 32 -20.094 -2.490 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.313 0.409 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.229 -0.354 -4.223 1.00 0.00 H new ATOM 0 HG SER A 32 -22.435 -0.229 -2.239 1.00 0.00 H new ATOM 535 N LYS A 33 -17.550 -0.443 -3.662 1.00 0.00 N ATOM 536 CA LYS A 33 -16.445 0.140 -4.416 1.00 0.00 C ATOM 537 C LYS A 33 -15.184 -0.716 -4.331 1.00 0.00 C ATOM 538 O LYS A 33 -14.097 -0.260 -4.688 1.00 0.00 O ATOM 539 CB LYS A 33 -16.145 1.559 -3.930 1.00 0.00 C ATOM 540 CG LYS A 33 -17.236 2.565 -4.267 1.00 0.00 C ATOM 541 CD LYS A 33 -16.801 3.990 -3.952 1.00 0.00 C ATOM 542 CE LYS A 33 -15.581 4.399 -4.768 1.00 0.00 C ATOM 543 NZ LYS A 33 -15.857 4.408 -6.229 1.00 0.00 N ATOM 0 H LYS A 33 -17.489 -0.313 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.756 0.178 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.001 1.541 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.206 1.894 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.490 2.487 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.138 2.326 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.623 4.676 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.573 4.075 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.254 5.391 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.760 3.713 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.961 4.491 -6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.334 3.524 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.469 5.216 -6.462 1.00 0.00 H new ATOM 557 N TRP A 34 -15.328 -1.961 -3.879 1.00 0.00 N ATOM 558 CA TRP A 34 -14.194 -2.882 -3.804 1.00 0.00 C ATOM 559 C TRP A 34 -13.586 -3.106 -5.188 1.00 0.00 C ATOM 560 O TRP A 34 -12.366 -3.076 -5.354 1.00 0.00 O ATOM 561 CB TRP A 34 -14.625 -4.222 -3.206 1.00 0.00 C ATOM 562 CG TRP A 34 -14.150 -4.430 -1.801 1.00 0.00 C ATOM 563 CD1 TRP A 34 -14.651 -3.857 -0.670 1.00 0.00 C ATOM 564 CD2 TRP A 34 -13.077 -5.280 -1.379 1.00 0.00 C ATOM 565 NE1 TRP A 34 -13.961 -4.303 0.430 1.00 0.00 N ATOM 566 CE2 TRP A 34 -12.986 -5.172 0.020 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.181 -6.120 -2.050 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -12.041 -5.874 0.762 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -11.239 -6.815 -1.312 1.00 0.00 C ATOM 570 CH2 TRP A 34 -11.177 -6.688 0.082 1.00 0.00 C ATOM 0 H TRP A 34 -16.214 -2.354 -3.561 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.441 -2.433 -3.157 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.713 -4.287 -3.227 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.246 -5.029 -3.833 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.471 -3.155 -0.643 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.145 -4.031 1.396 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -12.224 -6.224 -3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.991 -5.780 1.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -10.541 -7.465 -1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.432 -7.244 0.631 1.00 0.00 H new ATOM 581 N ILE A 35 -14.446 -3.312 -6.178 1.00 0.00 N ATOM 582 CA ILE A 35 -14.000 -3.555 -7.543 1.00 0.00 C ATOM 583 C ILE A 35 -13.355 -2.301 -8.137 1.00 0.00 C ATOM 584 O ILE A 35 -12.386 -2.387 -8.889 1.00 0.00 O ATOM 585 CB ILE A 35 -15.173 -4.032 -8.437 1.00 0.00 C ATOM 586 CG1 ILE A 35 -14.690 -4.303 -9.867 1.00 0.00 C ATOM 587 CG2 ILE A 35 -16.307 -3.014 -8.432 1.00 0.00 C ATOM 588 CD1 ILE A 35 -15.762 -4.857 -10.780 1.00 0.00 C ATOM 0 H ILE A 35 -15.459 -3.315 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.252 -4.347 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.556 -4.966 -8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.307 -3.376 -10.293 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.857 -5.005 -9.832 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.119 -3.370 -9.066 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.673 -2.882 -7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.941 -2.060 -8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -15.344 -5.022 -11.773 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -16.129 -5.802 -10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.586 -4.146 -10.847 1.00 0.00 H new ATOM 600 N ASP A 36 -13.885 -1.144 -7.763 1.00 0.00 N ATOM 601 CA ASP A 36 -13.386 0.140 -8.255 1.00 0.00 C ATOM 602 C ASP A 36 -11.987 0.414 -7.718 1.00 0.00 C ATOM 603 O ASP A 36 -11.101 0.838 -8.457 1.00 0.00 O ATOM 604 CB ASP A 36 -14.343 1.264 -7.844 1.00 0.00 C ATOM 605 CG ASP A 36 -13.891 2.638 -8.308 1.00 0.00 C ATOM 606 OD1 ASP A 36 -13.806 2.857 -9.535 1.00 0.00 O ATOM 607 OD2 ASP A 36 -13.651 3.510 -7.444 1.00 0.00 O ATOM 0 H ASP A 36 -14.668 -1.065 -7.114 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.332 0.100 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.332 1.057 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.442 1.269 -6.758 1.00 0.00 H new ATOM 612 N PHE A 37 -11.787 0.148 -6.433 1.00 0.00 N ATOM 613 CA PHE A 37 -10.484 0.342 -5.810 1.00 0.00 C ATOM 614 C PHE A 37 -9.478 -0.686 -6.317 1.00 0.00 C ATOM 615 O PHE A 37 -8.314 -0.359 -6.555 1.00 0.00 O ATOM 616 CB PHE A 37 -10.595 0.269 -4.289 1.00 0.00 C ATOM 617 CG PHE A 37 -11.177 1.502 -3.659 1.00 0.00 C ATOM 618 CD1 PHE A 37 -11.680 2.534 -4.438 1.00 0.00 C ATOM 619 CD2 PHE A 37 -11.212 1.632 -2.282 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.204 3.669 -3.855 1.00 0.00 C ATOM 621 CE2 PHE A 37 -11.736 2.765 -1.694 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.233 3.785 -2.480 1.00 0.00 C ATOM 0 H PHE A 37 -12.509 -0.202 -5.803 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.127 1.335 -6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.211 -0.589 -4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.604 0.093 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -11.661 2.448 -5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.825 0.838 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.591 4.465 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.757 2.854 -0.618 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.644 4.672 -2.020 1.00 0.00 H new ATOM 632 N SER A 38 -9.927 -1.927 -6.484 1.00 0.00 N ATOM 633 CA SER A 38 -9.082 -2.976 -7.042 1.00 0.00 C ATOM 634 C SER A 38 -8.660 -2.601 -8.461 1.00 0.00 C ATOM 635 O SER A 38 -7.533 -2.871 -8.883 1.00 0.00 O ATOM 636 CB SER A 38 -9.829 -4.316 -7.039 1.00 0.00 C ATOM 637 OG SER A 38 -8.989 -5.382 -7.460 1.00 0.00 O ATOM 0 H SER A 38 -10.870 -2.230 -6.241 1.00 0.00 H new ATOM 0 HA SER A 38 -8.189 -3.080 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.205 -4.522 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.695 -4.252 -7.698 1.00 0.00 H new ATOM 0 HG SER A 38 -9.494 -6.222 -7.446 1.00 0.00 H new ATOM 643 N ASN A 39 -9.575 -1.954 -9.176 1.00 0.00 N ATOM 644 CA ASN A 39 -9.317 -1.454 -10.523 1.00 0.00 C ATOM 645 C ASN A 39 -8.140 -0.483 -10.499 1.00 0.00 C ATOM 646 O ASN A 39 -7.227 -0.567 -11.319 1.00 0.00 O ATOM 647 CB ASN A 39 -10.575 -0.748 -11.045 1.00 0.00 C ATOM 648 CG ASN A 39 -10.556 -0.458 -12.537 1.00 0.00 C ATOM 649 OD1 ASN A 39 -9.503 -0.318 -13.157 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.739 -0.357 -13.123 1.00 0.00 N ATOM 0 H ASN A 39 -10.518 -1.761 -8.838 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.068 -2.285 -11.183 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.444 -1.365 -10.818 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.701 0.191 -10.506 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.798 -0.157 -14.121 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.591 -0.479 -12.576 1.00 0.00 H new ATOM 657 N VAL A 40 -8.156 0.416 -9.527 1.00 0.00 N ATOM 658 CA VAL A 40 -7.120 1.430 -9.398 1.00 0.00 C ATOM 659 C VAL A 40 -5.781 0.812 -8.989 1.00 0.00 C ATOM 660 O VAL A 40 -4.751 1.087 -9.601 1.00 0.00 O ATOM 661 CB VAL A 40 -7.520 2.508 -8.364 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.483 3.619 -8.301 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.891 3.079 -8.689 1.00 0.00 C ATOM 0 H VAL A 40 -8.881 0.464 -8.811 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.010 1.896 -10.377 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.565 2.032 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.791 4.363 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.519 3.201 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.395 4.091 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.154 3.836 -7.950 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.871 3.531 -9.680 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.632 2.280 -8.670 1.00 0.00 H new ATOM 673 N LEU A 41 -5.803 -0.038 -7.971 1.00 0.00 N ATOM 674 CA LEU A 41 -4.571 -0.601 -7.415 1.00 0.00 C ATOM 675 C LEU A 41 -3.855 -1.530 -8.396 1.00 0.00 C ATOM 676 O LEU A 41 -2.626 -1.590 -8.411 1.00 0.00 O ATOM 677 CB LEU A 41 -4.859 -1.349 -6.113 1.00 0.00 C ATOM 678 CG LEU A 41 -5.325 -0.476 -4.947 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.506 -1.321 -3.698 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.334 0.649 -4.685 1.00 0.00 C ATOM 0 H LEU A 41 -6.657 -0.355 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.908 0.240 -7.215 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.621 -2.103 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.956 -1.879 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.284 -0.031 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.838 -0.688 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.252 -2.093 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.558 -1.790 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.686 1.257 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.360 0.226 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.246 1.271 -5.576 1.00 0.00 H new ATOM 692 N SER A 42 -4.609 -2.241 -9.225 1.00 0.00 N ATOM 693 CA SER A 42 -4.012 -3.210 -10.142 1.00 0.00 C ATOM 694 C SER A 42 -3.250 -2.517 -11.275 1.00 0.00 C ATOM 695 O SER A 42 -2.496 -3.155 -12.009 1.00 0.00 O ATOM 696 CB SER A 42 -5.086 -4.150 -10.699 1.00 0.00 C ATOM 697 OG SER A 42 -6.219 -3.431 -11.158 1.00 0.00 O ATOM 0 H SER A 42 -5.625 -2.168 -9.283 1.00 0.00 H new ATOM 0 HA SER A 42 -3.290 -3.802 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.669 -4.736 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.390 -4.855 -9.926 1.00 0.00 H new ATOM 0 HG SER A 42 -6.816 -3.245 -10.403 1.00 0.00 H new ATOM 703 N ARG A 43 -3.438 -1.210 -11.404 1.00 0.00 N ATOM 704 CA ARG A 43 -2.706 -0.428 -12.389 1.00 0.00 C ATOM 705 C ARG A 43 -1.866 0.646 -11.702 1.00 0.00 C ATOM 706 O ARG A 43 -1.298 1.522 -12.356 1.00 0.00 O ATOM 707 CB ARG A 43 -3.665 0.224 -13.388 1.00 0.00 C ATOM 708 CG ARG A 43 -4.728 1.096 -12.738 1.00 0.00 C ATOM 709 CD ARG A 43 -5.537 1.865 -13.769 1.00 0.00 C ATOM 710 NE ARG A 43 -6.098 0.987 -14.794 1.00 0.00 N ATOM 711 CZ ARG A 43 -7.268 1.191 -15.395 1.00 0.00 C ATOM 712 NH1 ARG A 43 -8.029 2.225 -15.049 1.00 0.00 N ATOM 713 NH2 ARG A 43 -7.678 0.350 -16.338 1.00 0.00 N ATOM 0 H ARG A 43 -4.092 -0.670 -10.838 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.044 -1.104 -12.931 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.089 0.830 -14.088 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.155 -0.557 -13.970 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.396 0.472 -12.144 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.253 1.798 -12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.344 2.401 -13.270 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.902 2.614 -14.242 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.558 0.165 -15.066 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.717 2.866 -14.320 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.925 2.377 -15.513 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.097 -0.447 -16.598 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.574 0.501 -16.802 1.00 0.00 H new ATOM 727 N LEU A 44 -1.771 0.562 -10.383 1.00 0.00 N ATOM 728 CA LEU A 44 -1.099 1.590 -9.604 1.00 0.00 C ATOM 729 C LEU A 44 0.271 1.114 -9.137 1.00 0.00 C ATOM 730 O LEU A 44 0.400 0.044 -8.545 1.00 0.00 O ATOM 731 CB LEU A 44 -1.957 1.986 -8.400 1.00 0.00 C ATOM 732 CG LEU A 44 -1.470 3.212 -7.624 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.470 4.444 -8.517 1.00 0.00 C ATOM 734 CD2 LEU A 44 -2.336 3.442 -6.393 1.00 0.00 C ATOM 0 H LEU A 44 -2.151 -0.207 -9.831 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.957 2.462 -10.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.973 2.176 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.006 1.139 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.447 3.028 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.121 5.306 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.808 4.278 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.481 4.632 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.976 4.318 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.369 3.605 -6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.284 2.568 -5.743 1.00 0.00 H new ATOM 746 N TYR A 45 1.290 1.911 -9.424 1.00 0.00 N ATOM 747 CA TYR A 45 2.646 1.611 -8.994 1.00 0.00 C ATOM 748 C TYR A 45 3.172 2.717 -8.093 1.00 0.00 C ATOM 749 O TYR A 45 3.639 3.750 -8.571 1.00 0.00 O ATOM 750 CB TYR A 45 3.579 1.446 -10.198 1.00 0.00 C ATOM 751 CG TYR A 45 3.361 0.172 -10.978 1.00 0.00 C ATOM 752 CD1 TYR A 45 2.264 0.021 -11.814 1.00 0.00 C ATOM 753 CD2 TYR A 45 4.261 -0.880 -10.880 1.00 0.00 C ATOM 754 CE1 TYR A 45 2.068 -1.142 -12.527 1.00 0.00 C ATOM 755 CE2 TYR A 45 4.071 -2.046 -11.592 1.00 0.00 C ATOM 756 CZ TYR A 45 2.973 -2.172 -12.412 1.00 0.00 C ATOM 757 OH TYR A 45 2.776 -3.329 -13.123 1.00 0.00 O ATOM 0 H TYR A 45 1.201 2.776 -9.957 1.00 0.00 H new ATOM 0 HA TYR A 45 2.621 0.673 -8.439 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.445 2.296 -10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.612 1.474 -9.850 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.552 0.828 -11.908 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.123 -0.784 -10.237 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.208 -1.244 -13.173 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.780 -2.856 -11.506 1.00 0.00 H new ATOM 0 HH TYR A 45 3.503 -3.958 -12.933 1.00 0.00 H new ATOM 767 N VAL A 46 3.081 2.511 -6.791 1.00 0.00 N ATOM 768 CA VAL A 46 3.571 3.488 -5.833 1.00 0.00 C ATOM 769 C VAL A 46 4.792 2.934 -5.113 1.00 0.00 C ATOM 770 O VAL A 46 4.854 1.741 -4.808 1.00 0.00 O ATOM 771 CB VAL A 46 2.481 3.876 -4.806 1.00 0.00 C ATOM 772 CG1 VAL A 46 3.000 4.901 -3.808 1.00 0.00 C ATOM 773 CG2 VAL A 46 1.253 4.415 -5.521 1.00 0.00 C ATOM 0 H VAL A 46 2.672 1.676 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 46 3.846 4.389 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 46 2.206 2.978 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.210 5.152 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.851 4.485 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.311 5.801 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.494 4.684 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.527 5.297 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.857 3.651 -6.190 1.00 0.00 H new ATOM 783 N GLY A 47 5.776 3.783 -4.880 1.00 0.00 N ATOM 784 CA GLY A 47 6.982 3.335 -4.235 1.00 0.00 C ATOM 785 C GLY A 47 7.310 4.119 -2.990 1.00 0.00 C ATOM 786 O GLY A 47 6.431 4.392 -2.172 1.00 0.00 O ATOM 0 H GLY A 47 5.759 4.773 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.880 2.281 -3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.813 3.413 -4.936 1.00 0.00 H new ATOM 790 N VAL A 48 8.579 4.495 -2.868 1.00 0.00 N ATOM 791 CA VAL A 48 9.092 5.152 -1.671 1.00 0.00 C ATOM 792 C VAL A 48 8.907 4.244 -0.457 1.00 0.00 C ATOM 793 O VAL A 48 7.949 4.385 0.306 1.00 0.00 O ATOM 794 CB VAL A 48 8.427 6.526 -1.415 1.00 0.00 C ATOM 795 CG1 VAL A 48 9.070 7.227 -0.227 1.00 0.00 C ATOM 796 CG2 VAL A 48 8.509 7.403 -2.656 1.00 0.00 C ATOM 0 H VAL A 48 9.280 4.353 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 48 10.154 5.337 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 48 7.376 6.353 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.586 8.190 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.955 6.611 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.130 7.383 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.036 8.364 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.554 7.562 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.996 6.912 -3.483 1.00 0.00 H new ATOM 806 N PRO A 49 9.809 3.263 -0.293 1.00 0.00 N ATOM 807 CA PRO A 49 9.739 2.301 0.810 1.00 0.00 C ATOM 808 C PRO A 49 9.772 2.996 2.167 1.00 0.00 C ATOM 809 O PRO A 49 10.737 3.683 2.502 1.00 0.00 O ATOM 810 CB PRO A 49 10.982 1.428 0.613 1.00 0.00 C ATOM 811 CG PRO A 49 11.358 1.609 -0.817 1.00 0.00 C ATOM 812 CD PRO A 49 10.965 3.013 -1.170 1.00 0.00 C ATOM 0 HA PRO A 49 8.811 1.730 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.790 1.737 1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.769 0.382 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.427 1.454 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.842 0.888 -1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.775 3.718 -0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.700 3.105 -2.223 1.00 0.00 H new ATOM 820 N THR A 50 8.706 2.824 2.933 1.00 0.00 N ATOM 821 CA THR A 50 8.568 3.510 4.203 1.00 0.00 C ATOM 822 C THR A 50 8.064 2.578 5.301 1.00 0.00 C ATOM 823 O THR A 50 7.903 1.381 5.087 1.00 0.00 O ATOM 824 CB THR A 50 7.594 4.683 4.076 1.00 0.00 C ATOM 825 OG1 THR A 50 6.824 4.554 2.871 1.00 0.00 O ATOM 826 CG2 THR A 50 8.325 6.018 4.087 1.00 0.00 C ATOM 0 H THR A 50 7.924 2.214 2.695 1.00 0.00 H new ATOM 0 HA THR A 50 9.560 3.871 4.475 1.00 0.00 H new ATOM 0 HB THR A 50 6.926 4.659 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.412 4.659 2.094 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.603 6.829 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.873 6.125 5.023 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.023 6.057 3.251 1.00 0.00 H new ATOM 834 N LYS A 51 7.795 3.145 6.469 1.00 0.00 N ATOM 835 CA LYS A 51 7.333 2.373 7.611 1.00 0.00 C ATOM 836 C LYS A 51 5.811 2.245 7.592 1.00 0.00 C ATOM 837 O LYS A 51 5.151 2.724 6.672 1.00 0.00 O ATOM 838 CB LYS A 51 7.791 3.036 8.910 1.00 0.00 C ATOM 839 CG LYS A 51 9.300 3.180 9.014 1.00 0.00 C ATOM 840 CD LYS A 51 9.697 4.035 10.205 1.00 0.00 C ATOM 841 CE LYS A 51 11.201 4.242 10.267 1.00 0.00 C ATOM 842 NZ LYS A 51 11.584 5.181 11.351 1.00 0.00 N ATOM 0 H LYS A 51 7.890 4.144 6.650 1.00 0.00 H new ATOM 0 HA LYS A 51 7.763 1.373 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.333 4.022 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.430 2.450 9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.755 2.194 9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.688 3.627 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.198 5.002 10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.356 3.560 11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.694 3.283 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.555 4.627 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.618 5.296 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.134 6.104 11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.269 4.801 12.267 1.00 0.00 H new ATOM 856 N SER A 52 5.263 1.608 8.619 1.00 0.00 N ATOM 857 CA SER A 52 3.828 1.360 8.698 1.00 0.00 C ATOM 858 C SER A 52 3.063 2.666 8.871 1.00 0.00 C ATOM 859 O SER A 52 3.441 3.511 9.681 1.00 0.00 O ATOM 860 CB SER A 52 3.522 0.414 9.864 1.00 0.00 C ATOM 861 OG SER A 52 2.146 0.071 9.906 1.00 0.00 O ATOM 0 H SER A 52 5.794 1.252 9.414 1.00 0.00 H new ATOM 0 HA SER A 52 3.508 0.894 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.121 -0.491 9.767 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.809 0.887 10.803 1.00 0.00 H new ATOM 0 HG SER A 52 1.958 -0.428 10.728 1.00 0.00 H new ATOM 867 N GLY A 53 1.996 2.828 8.103 1.00 0.00 N ATOM 868 CA GLY A 53 1.186 4.017 8.210 1.00 0.00 C ATOM 869 C GLY A 53 1.563 5.052 7.179 1.00 0.00 C ATOM 870 O GLY A 53 1.363 6.248 7.388 1.00 0.00 O ATOM 0 H GLY A 53 1.678 2.154 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.135 3.752 8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.296 4.442 9.208 1.00 0.00 H new ATOM 874 N ASN A 54 2.124 4.601 6.065 1.00 0.00 N ATOM 875 CA ASN A 54 2.489 5.519 4.987 1.00 0.00 C ATOM 876 C ASN A 54 1.356 5.594 3.970 1.00 0.00 C ATOM 877 O ASN A 54 0.694 4.595 3.701 1.00 0.00 O ATOM 878 CB ASN A 54 3.797 5.101 4.296 1.00 0.00 C ATOM 879 CG ASN A 54 3.692 3.781 3.550 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.271 3.738 2.397 1.00 0.00 O ATOM 881 ND2 ASN A 54 4.098 2.697 4.195 1.00 0.00 N ATOM 0 H ASN A 54 2.335 3.620 5.882 1.00 0.00 H new ATOM 0 HA ASN A 54 2.653 6.503 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.095 5.882 3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.586 5.025 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.067 1.788 3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.442 2.772 5.152 1.00 0.00 H new ATOM 888 N VAL A 55 1.124 6.775 3.418 1.00 0.00 N ATOM 889 CA VAL A 55 0.010 6.971 2.501 1.00 0.00 C ATOM 890 C VAL A 55 0.401 6.614 1.072 1.00 0.00 C ATOM 891 O VAL A 55 1.267 7.251 0.469 1.00 0.00 O ATOM 892 CB VAL A 55 -0.520 8.421 2.544 1.00 0.00 C ATOM 893 CG1 VAL A 55 -1.619 8.626 1.512 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.036 8.758 3.935 1.00 0.00 C ATOM 0 H VAL A 55 1.688 7.608 3.587 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.786 6.302 2.830 1.00 0.00 H new ATOM 0 HB VAL A 55 0.306 9.091 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.977 9.654 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.225 8.426 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.444 7.945 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.406 9.783 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.846 8.077 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.227 8.655 4.658 1.00 0.00 H new ATOM 904 N VAL A 56 -0.248 5.592 0.539 1.00 0.00 N ATOM 905 CA VAL A 56 -0.025 5.159 -0.827 1.00 0.00 C ATOM 906 C VAL A 56 -0.874 5.992 -1.783 1.00 0.00 C ATOM 907 O VAL A 56 -0.357 6.627 -2.697 1.00 0.00 O ATOM 908 CB VAL A 56 -0.372 3.663 -0.991 1.00 0.00 C ATOM 909 CG1 VAL A 56 -0.210 3.213 -2.432 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.487 2.812 -0.070 1.00 0.00 C ATOM 0 H VAL A 56 -0.943 5.041 1.042 1.00 0.00 H new ATOM 0 HA VAL A 56 1.030 5.299 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.418 3.532 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.462 2.156 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.874 3.794 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.822 3.365 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.228 1.761 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.539 2.960 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.310 3.104 0.965 1.00 0.00 H new ATOM 920 N CYS A 57 -2.178 5.992 -1.552 1.00 0.00 N ATOM 921 CA CYS A 57 -3.092 6.783 -2.359 1.00 0.00 C ATOM 922 C CYS A 57 -4.011 7.585 -1.445 1.00 0.00 C ATOM 923 O CYS A 57 -4.768 7.016 -0.658 1.00 0.00 O ATOM 924 CB CYS A 57 -3.910 5.879 -3.286 1.00 0.00 C ATOM 925 SG CYS A 57 -4.940 6.773 -4.474 1.00 0.00 S ATOM 0 H CYS A 57 -2.626 5.452 -0.812 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.518 7.470 -2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.229 5.226 -3.832 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.549 5.238 -2.679 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.589 5.922 -5.212 1.00 0.00 H new ATOM 931 N LYS A 58 -3.934 8.905 -1.539 1.00 0.00 N ATOM 932 CA LYS A 58 -4.690 9.769 -0.648 1.00 0.00 C ATOM 933 C LYS A 58 -5.974 10.241 -1.316 1.00 0.00 C ATOM 934 O LYS A 58 -5.941 10.727 -2.451 1.00 0.00 O ATOM 935 CB LYS A 58 -3.847 10.974 -0.238 1.00 0.00 C ATOM 936 CG LYS A 58 -4.366 11.645 1.015 1.00 0.00 C ATOM 937 CD LYS A 58 -3.616 12.920 1.344 1.00 0.00 C ATOM 938 CE LYS A 58 -3.937 13.387 2.754 1.00 0.00 C ATOM 939 NZ LYS A 58 -5.380 13.216 3.079 1.00 0.00 N ATOM 0 H LYS A 58 -3.358 9.398 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.950 9.196 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.818 10.655 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.832 11.697 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.425 11.872 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.286 10.953 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.543 12.751 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.882 13.698 0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.335 12.826 3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.662 14.436 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.643 13.869 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.953 13.423 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.554 12.237 3.384 1.00 0.00 H new ATOM 953 N ASN A 59 -7.100 10.090 -0.610 1.00 0.00 N ATOM 954 CA ASN A 59 -8.404 10.514 -1.125 1.00 0.00 C ATOM 955 C ASN A 59 -8.664 9.867 -2.469 1.00 0.00 C ATOM 956 O ASN A 59 -9.068 10.534 -3.421 1.00 0.00 O ATOM 957 CB ASN A 59 -8.475 12.044 -1.259 1.00 0.00 C ATOM 958 CG ASN A 59 -8.536 12.754 0.081 1.00 0.00 C ATOM 959 OD1 ASN A 59 -7.508 13.033 0.700 1.00 0.00 O ATOM 960 ND2 ASN A 59 -9.740 13.079 0.525 1.00 0.00 N ATOM 0 H ASN A 59 -7.133 9.676 0.322 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.169 10.197 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.603 12.396 -1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.354 12.311 -1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.840 13.578 1.409 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.568 12.830 -0.017 1.00 0.00 H new ATOM 967 N ILE A 60 -8.423 8.563 -2.532 1.00 0.00 N ATOM 968 CA ILE A 60 -8.635 7.806 -3.753 1.00 0.00 C ATOM 969 C ILE A 60 -10.058 8.015 -4.264 1.00 0.00 C ATOM 970 O ILE A 60 -11.027 7.596 -3.630 1.00 0.00 O ATOM 971 CB ILE A 60 -8.337 6.300 -3.544 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.684 5.500 -4.805 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.081 5.757 -2.329 1.00 0.00 C ATOM 974 CD1 ILE A 60 -8.298 4.039 -4.722 1.00 0.00 C ATOM 0 H ILE A 60 -8.080 8.009 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.938 8.174 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.269 6.189 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.756 5.574 -4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.182 5.951 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.853 4.698 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.768 6.301 -1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.154 5.883 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.574 3.537 -5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.222 3.955 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.820 3.572 -3.887 1.00 0.00 H new ATOM 986 N MET A 61 -10.162 8.728 -5.382 1.00 0.00 N ATOM 987 CA MET A 61 -11.444 9.026 -6.017 1.00 0.00 C ATOM 988 C MET A 61 -12.295 9.951 -5.142 1.00 0.00 C ATOM 989 O MET A 61 -13.524 9.867 -5.150 1.00 0.00 O ATOM 990 CB MET A 61 -12.198 7.730 -6.344 1.00 0.00 C ATOM 991 CG MET A 61 -11.433 6.818 -7.293 1.00 0.00 C ATOM 992 SD MET A 61 -11.041 7.622 -8.860 1.00 0.00 S ATOM 993 CE MET A 61 -10.127 6.320 -9.679 1.00 0.00 C ATOM 0 H MET A 61 -9.358 9.117 -5.875 1.00 0.00 H new ATOM 0 HA MET A 61 -11.244 9.550 -6.952 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.402 7.192 -5.418 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.162 7.979 -6.787 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.509 6.494 -6.814 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.024 5.922 -7.486 1.00 0.00 H new ATOM 0 HE1 MET A 61 -9.812 6.661 -10.665 1.00 0.00 H new ATOM 0 HE2 MET A 61 -9.249 6.064 -9.086 1.00 0.00 H new ATOM 0 HE3 MET A 61 -10.762 5.441 -9.785 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.617 10.823 -4.380 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.268 11.896 -3.606 1.00 0.00 C ATOM 1005 C ASN A 62 -13.045 11.343 -2.401 1.00 0.00 C ATOM 1006 O ASN A 62 -13.669 12.091 -1.650 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.178 12.726 -4.536 1.00 0.00 C ATOM 1008 CG ASN A 62 -13.860 13.899 -3.852 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -13.283 14.977 -3.715 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -15.108 13.705 -3.448 1.00 0.00 N ATOM 0 H ASN A 62 -10.602 10.806 -4.282 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.494 12.547 -3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.583 13.101 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.941 12.072 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.625 14.465 -3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.551 12.796 -3.580 1.00 0.00 H new ATOM 1017 N THR A 63 -12.945 10.039 -2.191 1.00 0.00 N ATOM 1018 CA THR A 63 -13.681 9.356 -1.128 1.00 0.00 C ATOM 1019 C THR A 63 -13.377 9.933 0.251 1.00 0.00 C ATOM 1020 O THR A 63 -14.276 10.121 1.076 1.00 0.00 O ATOM 1021 CB THR A 63 -13.346 7.859 -1.127 1.00 0.00 C ATOM 1022 OG1 THR A 63 -11.930 7.678 -0.971 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.786 7.221 -2.427 1.00 0.00 C ATOM 0 H THR A 63 -12.354 9.422 -2.749 1.00 0.00 H new ATOM 0 HA THR A 63 -14.741 9.506 -1.333 1.00 0.00 H new ATOM 0 HB THR A 63 -13.873 7.386 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.505 7.650 -1.853 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.542 6.159 -2.412 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.862 7.344 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.271 7.700 -3.260 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.108 10.209 0.495 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.695 10.718 1.782 1.00 0.00 C ATOM 1033 C GLY A 64 -10.869 9.706 2.543 1.00 0.00 C ATOM 1034 O GLY A 64 -10.293 10.017 3.584 1.00 0.00 O ATOM 0 H GLY A 64 -11.353 10.089 -0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.116 11.631 1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.575 10.984 2.368 1.00 0.00 H new ATOM 1038 N VAL A 65 -10.821 8.490 2.023 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.015 7.437 2.618 1.00 0.00 C ATOM 1040 C VAL A 65 -8.571 7.554 2.154 1.00 0.00 C ATOM 1041 O VAL A 65 -8.300 7.829 0.980 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.564 6.033 2.264 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.626 4.935 2.747 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -11.950 5.834 2.854 1.00 0.00 C ATOM 0 H VAL A 65 -11.333 8.208 1.187 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.061 7.558 3.700 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.632 5.969 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.039 3.961 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.651 5.055 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.515 5.001 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.317 4.841 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.901 5.930 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.628 6.588 2.454 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.657 7.374 3.089 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.240 7.394 2.797 1.00 0.00 C ATOM 1056 C ASP A 66 -5.737 5.960 2.755 1.00 0.00 C ATOM 1057 O ASP A 66 -5.654 5.291 3.787 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.476 8.194 3.863 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.048 9.584 4.086 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -6.941 9.734 4.950 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -5.607 10.536 3.416 1.00 0.00 O ATOM 0 H ASP A 66 -7.878 7.210 4.071 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.072 7.878 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.494 7.644 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.431 8.281 3.565 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.445 5.475 1.559 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.993 4.104 1.388 1.00 0.00 C ATOM 1068 C ILE A 67 -3.551 3.997 1.841 1.00 0.00 C ATOM 1069 O ILE A 67 -2.634 4.434 1.144 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.120 3.632 -0.079 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.573 3.739 -0.552 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.614 2.202 -0.232 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.549 2.930 0.279 1.00 0.00 C ATOM 0 H ILE A 67 -5.513 6.010 0.693 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.629 3.458 1.994 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.504 4.281 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.875 4.786 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.633 3.409 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.713 1.890 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.566 2.153 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.201 1.538 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.556 3.057 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.274 1.876 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.520 3.275 1.313 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.360 3.439 3.021 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.056 3.423 3.648 1.00 0.00 C ATOM 1087 C ILE A 68 -1.431 2.037 3.644 1.00 0.00 C ATOM 1088 O ILE A 68 -2.121 1.021 3.743 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.121 3.939 5.102 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.175 3.167 5.905 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.409 5.434 5.121 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.251 3.581 7.359 1.00 0.00 C ATOM 0 H ILE A 68 -4.096 2.989 3.565 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.430 4.089 3.054 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.152 3.771 5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.151 3.313 5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.953 2.101 5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.452 5.783 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.617 5.964 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.364 5.627 4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.017 2.994 7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.287 3.409 7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.504 4.639 7.423 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.117 2.016 3.519 1.00 0.00 N ATOM 1105 CA CYS A 69 0.654 0.796 3.622 1.00 0.00 C ATOM 1106 C CYS A 69 1.073 0.581 5.070 1.00 0.00 C ATOM 1107 O CYS A 69 1.386 1.533 5.784 1.00 0.00 O ATOM 1108 CB CYS A 69 1.880 0.878 2.713 1.00 0.00 C ATOM 1109 SG CYS A 69 3.181 -0.308 3.105 1.00 0.00 S ATOM 0 H CYS A 69 0.445 2.849 3.343 1.00 0.00 H new ATOM 0 HA CYS A 69 0.045 -0.050 3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.563 0.723 1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.294 1.885 2.772 1.00 0.00 H new ATOM 0 HG CYS A 69 4.250 -0.021 2.423 1.00 0.00 H new ATOM 1115 N THR A 70 1.066 -0.665 5.506 1.00 0.00 N ATOM 1116 CA THR A 70 1.376 -0.983 6.889 1.00 0.00 C ATOM 1117 C THR A 70 2.605 -1.891 6.971 1.00 0.00 C ATOM 1118 O THR A 70 2.910 -2.465 8.017 1.00 0.00 O ATOM 1119 CB THR A 70 0.152 -1.653 7.563 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.417 -1.952 8.943 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.239 -2.929 6.824 1.00 0.00 C ATOM 0 H THR A 70 0.849 -1.474 4.923 1.00 0.00 H new ATOM 0 HA THR A 70 1.605 -0.059 7.420 1.00 0.00 H new ATOM 0 HB THR A 70 -0.677 -0.946 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.951 -1.231 9.337 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.100 -3.384 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.493 -2.688 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.597 -3.628 6.838 1.00 0.00 H new ATOM 1129 N LYS A 71 3.323 -1.989 5.865 1.00 0.00 N ATOM 1130 CA LYS A 71 4.539 -2.779 5.819 1.00 0.00 C ATOM 1131 C LYS A 71 5.727 -1.860 6.036 1.00 0.00 C ATOM 1132 O LYS A 71 5.726 -0.724 5.569 1.00 0.00 O ATOM 1133 CB LYS A 71 4.669 -3.469 4.463 1.00 0.00 C ATOM 1134 CG LYS A 71 5.641 -4.638 4.447 1.00 0.00 C ATOM 1135 CD LYS A 71 4.953 -5.921 4.875 1.00 0.00 C ATOM 1136 CE LYS A 71 5.874 -7.127 4.769 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.962 -7.097 5.780 1.00 0.00 N ATOM 0 H LYS A 71 3.083 -1.530 4.986 1.00 0.00 H new ATOM 0 HA LYS A 71 4.506 -3.541 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.686 -3.824 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.990 -2.735 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.054 -4.759 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.478 -4.429 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.606 -5.820 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.071 -6.083 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.290 -8.039 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.310 -7.162 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.553 -7.947 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.547 -6.249 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.549 -7.074 6.734 1.00 0.00 H new ATOM 1151 N ASN A 72 6.723 -2.335 6.759 1.00 0.00 N ATOM 1152 CA ASN A 72 7.926 -1.548 6.972 1.00 0.00 C ATOM 1153 C ASN A 72 8.914 -1.857 5.861 1.00 0.00 C ATOM 1154 O ASN A 72 9.611 -2.870 5.905 1.00 0.00 O ATOM 1155 CB ASN A 72 8.555 -1.836 8.342 1.00 0.00 C ATOM 1156 CG ASN A 72 7.569 -1.715 9.497 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.463 -1.017 9.270 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 7.793 -2.266 10.578 1.00 0.00 N flip ATOM 0 H ASN A 72 6.726 -3.252 7.205 1.00 0.00 H new ATOM 0 HA ASN A 72 7.662 -0.491 6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.975 -2.842 8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.382 -1.146 8.506 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.656 -2.794 10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.116 -2.194 11.337 1.00 0.00 H new ATOM 1165 N LEU A 73 8.952 -1.002 4.855 1.00 0.00 N ATOM 1166 CA LEU A 73 9.739 -1.273 3.668 1.00 0.00 C ATOM 1167 C LEU A 73 11.069 -0.528 3.716 1.00 0.00 C ATOM 1168 O LEU A 73 11.096 0.698 3.761 1.00 0.00 O ATOM 1169 CB LEU A 73 8.944 -0.890 2.418 1.00 0.00 C ATOM 1170 CG LEU A 73 7.639 -1.668 2.230 1.00 0.00 C ATOM 1171 CD1 LEU A 73 6.885 -1.180 1.006 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.919 -3.159 2.121 1.00 0.00 C ATOM 0 H LEU A 73 8.448 -0.116 4.837 1.00 0.00 H new ATOM 0 HA LEU A 73 9.958 -2.340 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.714 0.175 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.573 -1.044 1.542 1.00 0.00 H new ATOM 0 HG LEU A 73 7.013 -1.493 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.962 -1.750 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.647 -0.123 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.504 -1.317 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.980 -3.697 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.569 -3.346 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.409 -3.505 3.031 1.00 0.00 H new ATOM 1184 N PRO A 74 12.191 -1.262 3.733 1.00 0.00 N ATOM 1185 CA PRO A 74 13.520 -0.666 3.770 1.00 0.00 C ATOM 1186 C PRO A 74 13.975 -0.157 2.406 1.00 0.00 C ATOM 1187 O PRO A 74 14.337 -0.943 1.528 1.00 0.00 O ATOM 1188 CB PRO A 74 14.436 -1.810 4.236 1.00 0.00 C ATOM 1189 CG PRO A 74 13.546 -2.991 4.472 1.00 0.00 C ATOM 1190 CD PRO A 74 12.265 -2.726 3.734 1.00 0.00 C ATOM 0 HA PRO A 74 13.539 0.205 4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.190 -2.036 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.968 -1.536 5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 74 14.016 -3.907 4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.357 -3.126 5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 74 12.289 -3.131 2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.408 -3.174 4.236 1.00 0.00 H new