USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=25 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 52 SER OG : rot 51:sc= 1.18 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= 0.857 F(o=-1.2,f=2) USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0.0358 USER MOD Set 2.2: A 54 ASN : amide:sc= -7.62! C(o=-7.6!,f=-9.8!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -175:sc= 0.557 (180deg=-0.222) USER MOD Set 3.2: A 19 ASN : amide:sc= 0.636 K(o=1.2,f=-12!) USER MOD Set 4.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 71 LYS NZ :NH3+ -142:sc= 0.449 (180deg=0.0582) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= 0.539 (180deg=0.294) USER MOD Single : A 7 THR OG1 : rot 43:sc= 0.905 USER MOD Single : A 8 SER OG : rot 137:sc= 1.05 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= -0.335 (180deg=-0.356) USER MOD Single : A 25 SER OG : rot 49:sc= -0.856! USER MOD Single : A 26 ASN : amide:sc= 0.81 K(o=0.81,f=-0.31) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0195) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 0.414 (180deg=-0.118) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.606 K(o=-0.61,f=-1.3) USER MOD Single : A 42 SER OG : rot -82:sc= 0.971 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 150:sc= -2.83! USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= 1.23 (180deg=0.125) USER MOD Single : A 59 ASN : amide:sc= -0.908 K(o=-0.91,f=-3!) USER MOD Single : A 61 MET CE :methyl -143:sc= -0.258 (180deg=-1.04) USER MOD Single : A 62 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 63 THR OG1 : rot -84:sc= 1.1 USER MOD Single : A 69 CYS SG : rot 180:sc= -3.91! USER MOD Single : A 70 THR OG1 : rot -46:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.891 -1.116 5.562 1.00 0.00 N ATOM 39 CA LYS A 3 -18.482 -0.832 5.349 1.00 0.00 C ATOM 40 C LYS A 3 -17.582 -1.900 5.952 1.00 0.00 C ATOM 41 O LYS A 3 -17.878 -2.465 7.005 1.00 0.00 O ATOM 42 CB LYS A 3 -18.128 0.529 5.945 1.00 0.00 C ATOM 43 CG LYS A 3 -19.080 1.639 5.538 1.00 0.00 C ATOM 44 CD LYS A 3 -18.556 3.005 5.945 1.00 0.00 C ATOM 45 CE LYS A 3 -19.577 4.099 5.691 1.00 0.00 C ATOM 46 NZ LYS A 3 -19.928 4.197 4.252 1.00 0.00 N ATOM 0 HA LYS A 3 -18.313 -0.825 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.121 0.449 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.117 0.798 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.229 1.613 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.054 1.471 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.292 2.993 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.643 3.224 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.477 3.899 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.180 5.054 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.295 5.149 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.080 4.022 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.655 3.489 4.023 1.00 0.00 H new ATOM 60 N ASP A 4 -16.486 -2.164 5.260 1.00 0.00 N ATOM 61 CA ASP A 4 -15.434 -3.030 5.765 1.00 0.00 C ATOM 62 C ASP A 4 -14.087 -2.429 5.369 1.00 0.00 C ATOM 63 O ASP A 4 -14.011 -1.675 4.398 1.00 0.00 O ATOM 64 CB ASP A 4 -15.579 -4.446 5.195 1.00 0.00 C ATOM 65 CG ASP A 4 -14.963 -5.506 6.091 1.00 0.00 C ATOM 66 OD1 ASP A 4 -13.724 -5.654 6.090 1.00 0.00 O ATOM 67 OD2 ASP A 4 -15.724 -6.188 6.812 1.00 0.00 O ATOM 0 H ASP A 4 -16.301 -1.784 4.332 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.504 -3.103 6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.636 -4.668 5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.108 -4.488 4.213 1.00 0.00 H new ATOM 72 N ILE A 5 -13.042 -2.727 6.120 1.00 0.00 N ATOM 73 CA ILE A 5 -11.721 -2.191 5.831 1.00 0.00 C ATOM 74 C ILE A 5 -11.153 -2.811 4.558 1.00 0.00 C ATOM 75 O ILE A 5 -10.935 -4.023 4.485 1.00 0.00 O ATOM 76 CB ILE A 5 -10.739 -2.431 7.001 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.218 -1.706 8.263 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.334 -1.974 6.627 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.324 -0.202 8.104 1.00 0.00 C ATOM 0 H ILE A 5 -13.081 -3.338 6.936 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.836 -1.116 5.691 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.709 -3.501 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.193 -2.101 8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.532 -1.928 9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.659 -2.152 7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.989 -2.533 5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.348 -0.910 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.669 0.239 9.039 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.346 0.207 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.033 0.031 7.310 1.00 0.00 H new ATOM 91 N PHE A 6 -10.926 -1.977 3.557 1.00 0.00 N ATOM 92 CA PHE A 6 -10.357 -2.440 2.304 1.00 0.00 C ATOM 93 C PHE A 6 -8.854 -2.626 2.457 1.00 0.00 C ATOM 94 O PHE A 6 -8.104 -1.661 2.611 1.00 0.00 O ATOM 95 CB PHE A 6 -10.664 -1.457 1.167 1.00 0.00 C ATOM 96 CG PHE A 6 -10.036 -1.829 -0.148 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.670 -2.707 -1.011 1.00 0.00 C ATOM 98 CD2 PHE A 6 -8.809 -1.300 -0.520 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.096 -3.049 -2.219 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.231 -1.639 -1.727 1.00 0.00 C ATOM 101 CZ PHE A 6 -8.874 -2.516 -2.577 1.00 0.00 C ATOM 0 H PHE A 6 -11.127 -0.977 3.588 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.810 -3.398 2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.744 -1.393 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.318 -0.464 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.625 -3.129 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.300 -0.615 0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.603 -3.733 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.276 -1.218 -2.006 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.422 -2.785 -3.520 1.00 0.00 H new ATOM 111 N THR A 7 -8.427 -3.870 2.451 1.00 0.00 N ATOM 112 CA THR A 7 -7.019 -4.191 2.538 1.00 0.00 C ATOM 113 C THR A 7 -6.614 -5.046 1.338 1.00 0.00 C ATOM 114 O THR A 7 -7.308 -5.998 0.975 1.00 0.00 O ATOM 115 CB THR A 7 -6.689 -4.912 3.869 1.00 0.00 C ATOM 116 OG1 THR A 7 -5.324 -5.352 3.883 1.00 0.00 O ATOM 117 CG2 THR A 7 -7.614 -6.097 4.105 1.00 0.00 C ATOM 0 H THR A 7 -9.041 -4.682 2.386 1.00 0.00 H new ATOM 0 HA THR A 7 -6.447 -3.263 2.522 1.00 0.00 H new ATOM 0 HB THR A 7 -6.841 -4.193 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.749 -4.645 3.522 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.354 -6.579 5.047 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.646 -5.750 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.505 -6.812 3.289 1.00 0.00 H new ATOM 125 N SER A 8 -5.517 -4.678 0.696 1.00 0.00 N ATOM 126 CA SER A 8 -5.053 -5.375 -0.493 1.00 0.00 C ATOM 127 C SER A 8 -3.544 -5.234 -0.627 1.00 0.00 C ATOM 128 O SER A 8 -2.868 -4.859 0.326 1.00 0.00 O ATOM 129 CB SER A 8 -5.756 -4.822 -1.737 1.00 0.00 C ATOM 130 OG SER A 8 -7.154 -5.042 -1.670 1.00 0.00 O ATOM 0 H SER A 8 -4.928 -3.895 0.981 1.00 0.00 H new ATOM 0 HA SER A 8 -5.296 -6.434 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.556 -3.754 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.352 -5.299 -2.630 1.00 0.00 H new ATOM 0 HG SER A 8 -7.627 -4.233 -1.958 1.00 0.00 H new ATOM 136 N VAL A 9 -3.015 -5.546 -1.798 1.00 0.00 N ATOM 137 CA VAL A 9 -1.581 -5.473 -2.024 1.00 0.00 C ATOM 138 C VAL A 9 -1.279 -4.651 -3.276 1.00 0.00 C ATOM 139 O VAL A 9 -1.932 -4.818 -4.307 1.00 0.00 O ATOM 140 CB VAL A 9 -0.964 -6.883 -2.171 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.544 -6.805 -2.303 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.346 -7.766 -0.995 1.00 0.00 C ATOM 0 H VAL A 9 -3.556 -5.852 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.135 -4.988 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.365 -7.328 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.953 -7.810 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.802 -6.217 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.963 -6.331 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.900 -8.753 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.981 -7.318 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.431 -7.861 -0.949 1.00 0.00 H new ATOM 152 N VAL A 10 -0.304 -3.756 -3.175 1.00 0.00 N ATOM 153 CA VAL A 10 0.098 -2.927 -4.304 1.00 0.00 C ATOM 154 C VAL A 10 1.562 -3.198 -4.652 1.00 0.00 C ATOM 155 O VAL A 10 2.358 -3.544 -3.777 1.00 0.00 O ATOM 156 CB VAL A 10 -0.123 -1.421 -4.008 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.795 -0.936 -2.898 1.00 0.00 C ATOM 158 CG2 VAL A 10 0.055 -0.577 -5.262 1.00 0.00 C ATOM 0 H VAL A 10 0.224 -3.586 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.526 -3.188 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.152 -1.305 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.616 0.123 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.595 -1.501 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.834 -1.082 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.107 0.473 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.066 -0.709 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.666 -0.890 -6.017 1.00 0.00 H new ATOM 168 N ARG A 11 1.906 -3.072 -5.930 1.00 0.00 N ATOM 169 CA ARG A 11 3.265 -3.349 -6.383 1.00 0.00 C ATOM 170 C ARG A 11 4.221 -2.227 -6.001 1.00 0.00 C ATOM 171 O ARG A 11 3.918 -1.044 -6.167 1.00 0.00 O ATOM 172 CB ARG A 11 3.321 -3.579 -7.897 1.00 0.00 C ATOM 173 CG ARG A 11 3.097 -5.025 -8.319 1.00 0.00 C ATOM 174 CD ARG A 11 1.659 -5.465 -8.100 1.00 0.00 C ATOM 175 NE ARG A 11 0.724 -4.665 -8.885 1.00 0.00 N ATOM 176 CZ ARG A 11 0.321 -4.976 -10.116 1.00 0.00 C ATOM 177 NH1 ARG A 11 0.736 -6.093 -10.698 1.00 0.00 N ATOM 178 NH2 ARG A 11 -0.508 -4.171 -10.760 1.00 0.00 N ATOM 0 H ARG A 11 1.265 -2.781 -6.668 1.00 0.00 H new ATOM 0 HA ARG A 11 3.580 -4.264 -5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.569 -2.952 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.292 -3.251 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.355 -5.140 -9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.765 -5.675 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.555 -6.516 -8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.410 -5.382 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 11 0.355 -3.812 -8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.369 -6.721 -10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.423 -6.324 -11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.837 -3.315 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.818 -4.407 -11.703 1.00 0.00 H new ATOM 192 N VAL A 12 5.378 -2.624 -5.498 1.00 0.00 N ATOM 193 CA VAL A 12 6.418 -1.693 -5.099 1.00 0.00 C ATOM 194 C VAL A 12 7.613 -1.834 -6.030 1.00 0.00 C ATOM 195 O VAL A 12 7.955 -2.941 -6.444 1.00 0.00 O ATOM 196 CB VAL A 12 6.882 -1.958 -3.652 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.817 -0.862 -3.165 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.693 -2.095 -2.722 1.00 0.00 C ATOM 0 H VAL A 12 5.622 -3.604 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 12 6.006 -0.685 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 12 7.433 -2.898 -3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.127 -1.076 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.695 -0.820 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.300 0.097 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.044 -2.281 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.109 -1.175 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.070 -2.927 -3.049 1.00 0.00 H new ATOM 208 N ARG A 13 8.237 -0.720 -6.366 1.00 0.00 N ATOM 209 CA ARG A 13 9.391 -0.731 -7.247 1.00 0.00 C ATOM 210 C ARG A 13 10.557 0.011 -6.602 1.00 0.00 C ATOM 211 O ARG A 13 10.408 0.611 -5.537 1.00 0.00 O ATOM 212 CB ARG A 13 9.040 -0.100 -8.597 1.00 0.00 C ATOM 213 CG ARG A 13 7.796 -0.688 -9.238 1.00 0.00 C ATOM 214 CD ARG A 13 7.799 -0.501 -10.744 1.00 0.00 C ATOM 215 NE ARG A 13 8.120 0.869 -11.137 1.00 0.00 N ATOM 216 CZ ARG A 13 8.657 1.191 -12.313 1.00 0.00 C ATOM 217 NH1 ARG A 13 8.948 0.242 -13.195 1.00 0.00 N ATOM 218 NH2 ARG A 13 8.921 2.460 -12.590 1.00 0.00 N ATOM 0 H ARG A 13 7.963 0.207 -6.041 1.00 0.00 H new ATOM 0 HA ARG A 13 9.688 -1.766 -7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.896 0.972 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.883 -0.225 -9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.733 -1.751 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.910 -0.215 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.523 -1.183 -11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.821 -0.770 -11.142 1.00 0.00 H new ATOM 0 HE ARG A 13 7.922 1.620 -10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.760 -0.736 -12.973 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.359 0.491 -14.095 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.713 3.186 -11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.332 2.711 -13.489 1.00 0.00 H new ATOM 232 N GLY A 14 11.713 -0.032 -7.247 1.00 0.00 N ATOM 233 CA GLY A 14 12.889 0.605 -6.696 1.00 0.00 C ATOM 234 C GLY A 14 13.783 -0.385 -5.979 1.00 0.00 C ATOM 235 O GLY A 14 13.497 -1.585 -5.958 1.00 0.00 O ATOM 0 H GLY A 14 11.857 -0.497 -8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.450 1.087 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.586 1.389 -6.002 1.00 0.00 H new ATOM 239 N SER A 15 14.865 0.108 -5.392 1.00 0.00 N ATOM 240 CA SER A 15 15.807 -0.748 -4.686 1.00 0.00 C ATOM 241 C SER A 15 15.246 -1.161 -3.326 1.00 0.00 C ATOM 242 O SER A 15 15.327 -0.415 -2.347 1.00 0.00 O ATOM 243 CB SER A 15 17.146 -0.032 -4.516 1.00 0.00 C ATOM 244 OG SER A 15 17.596 0.496 -5.752 1.00 0.00 O ATOM 0 H SER A 15 15.112 1.098 -5.391 1.00 0.00 H new ATOM 0 HA SER A 15 15.965 -1.650 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.043 0.773 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.887 -0.727 -4.121 1.00 0.00 H new ATOM 0 HG SER A 15 18.454 0.952 -5.620 1.00 0.00 H new ATOM 250 N LYS A 16 14.651 -2.343 -3.292 1.00 0.00 N ATOM 251 CA LYS A 16 14.072 -2.899 -2.078 1.00 0.00 C ATOM 252 C LYS A 16 14.084 -4.421 -2.155 1.00 0.00 C ATOM 253 O LYS A 16 14.635 -4.991 -3.097 1.00 0.00 O ATOM 254 CB LYS A 16 12.633 -2.383 -1.867 1.00 0.00 C ATOM 255 CG LYS A 16 11.768 -2.336 -3.130 1.00 0.00 C ATOM 256 CD LYS A 16 11.728 -3.673 -3.857 1.00 0.00 C ATOM 257 CE LYS A 16 10.755 -3.667 -5.019 1.00 0.00 C ATOM 258 NZ LYS A 16 10.946 -4.847 -5.901 1.00 0.00 N ATOM 0 H LYS A 16 14.555 -2.947 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 16 14.672 -2.578 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.140 -3.018 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.682 -1.381 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.754 -2.041 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.154 -1.571 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.726 -3.915 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.447 -4.458 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.734 -3.659 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.887 -2.754 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.322 -4.766 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.936 -4.888 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.713 -5.714 -5.376 1.00 0.00 H new ATOM 272 N LYS A 17 13.468 -5.076 -1.183 1.00 0.00 N ATOM 273 CA LYS A 17 13.305 -6.518 -1.242 1.00 0.00 C ATOM 274 C LYS A 17 11.892 -6.885 -1.695 1.00 0.00 C ATOM 275 O LYS A 17 11.712 -7.646 -2.645 1.00 0.00 O ATOM 276 CB LYS A 17 13.608 -7.153 0.117 1.00 0.00 C ATOM 277 CG LYS A 17 13.365 -8.652 0.143 1.00 0.00 C ATOM 278 CD LYS A 17 14.177 -9.371 -0.924 1.00 0.00 C ATOM 279 CE LYS A 17 13.729 -10.812 -1.088 1.00 0.00 C ATOM 280 NZ LYS A 17 14.507 -11.518 -2.139 1.00 0.00 N ATOM 0 H LYS A 17 13.076 -4.635 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 17 14.014 -6.908 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.647 -6.955 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.990 -6.678 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.625 -9.046 1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.304 -8.852 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.076 -8.847 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.234 -9.346 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.841 -11.337 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.669 -10.836 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.171 -12.499 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.380 -11.032 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.515 -11.518 -1.884 1.00 0.00 H new ATOM 294 N TYR A 18 10.892 -6.329 -1.024 1.00 0.00 N ATOM 295 CA TYR A 18 9.504 -6.681 -1.299 1.00 0.00 C ATOM 296 C TYR A 18 9.003 -6.052 -2.589 1.00 0.00 C ATOM 297 O TYR A 18 9.049 -4.837 -2.759 1.00 0.00 O ATOM 298 CB TYR A 18 8.601 -6.272 -0.135 1.00 0.00 C ATOM 299 CG TYR A 18 8.800 -7.107 1.108 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.797 -6.802 2.026 1.00 0.00 C ATOM 301 CD2 TYR A 18 7.987 -8.203 1.363 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.977 -7.567 3.161 1.00 0.00 C ATOM 303 CE2 TYR A 18 8.161 -8.972 2.495 1.00 0.00 C ATOM 304 CZ TYR A 18 9.158 -8.651 3.390 1.00 0.00 C ATOM 305 OH TYR A 18 9.333 -9.411 4.522 1.00 0.00 O ATOM 0 H TYR A 18 11.015 -5.634 -0.287 1.00 0.00 H new ATOM 0 HA TYR A 18 9.467 -7.764 -1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.786 -5.225 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.560 -6.347 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.441 -5.953 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.205 -8.458 0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.756 -7.317 3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.519 -9.821 2.679 1.00 0.00 H new ATOM 0 HH TYR A 18 8.674 -10.136 4.534 1.00 0.00 H new ATOM 315 N ASN A 19 8.513 -6.896 -3.487 1.00 0.00 N ATOM 316 CA ASN A 19 7.984 -6.443 -4.769 1.00 0.00 C ATOM 317 C ASN A 19 6.573 -5.912 -4.594 1.00 0.00 C ATOM 318 O ASN A 19 6.040 -5.229 -5.466 1.00 0.00 O ATOM 319 CB ASN A 19 7.978 -7.585 -5.792 1.00 0.00 C ATOM 320 CG ASN A 19 9.357 -8.171 -6.033 1.00 0.00 C ATOM 321 OD1 ASN A 19 10.373 -7.486 -5.895 1.00 0.00 O ATOM 322 ND2 ASN A 19 9.403 -9.443 -6.397 1.00 0.00 N ATOM 0 H ASN A 19 8.470 -7.906 -3.351 1.00 0.00 H new ATOM 0 HA ASN A 19 8.629 -5.646 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.310 -8.373 -5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.575 -7.218 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.302 -9.891 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.539 -9.976 -6.500 1.00 0.00 H new ATOM 329 N VAL A 20 5.969 -6.242 -3.461 1.00 0.00 N ATOM 330 CA VAL A 20 4.613 -5.819 -3.148 1.00 0.00 C ATOM 331 C VAL A 20 4.485 -5.475 -1.666 1.00 0.00 C ATOM 332 O VAL A 20 5.148 -6.084 -0.822 1.00 0.00 O ATOM 333 CB VAL A 20 3.579 -6.912 -3.509 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.441 -7.062 -5.018 1.00 0.00 C ATOM 335 CG2 VAL A 20 3.962 -8.245 -2.878 1.00 0.00 C ATOM 0 H VAL A 20 6.405 -6.810 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 20 4.406 -4.933 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 20 2.614 -6.601 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.708 -7.837 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.112 -6.116 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.404 -7.340 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.222 -9.000 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.942 -8.553 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.997 -8.138 -1.794 1.00 0.00 H new ATOM 345 N VAL A 21 3.652 -4.490 -1.350 1.00 0.00 N ATOM 346 CA VAL A 21 3.419 -4.107 0.037 1.00 0.00 C ATOM 347 C VAL A 21 1.926 -4.165 0.374 1.00 0.00 C ATOM 348 O VAL A 21 1.080 -3.724 -0.414 1.00 0.00 O ATOM 349 CB VAL A 21 3.979 -2.690 0.344 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.236 -1.615 -0.437 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.933 -2.389 1.836 1.00 0.00 C ATOM 0 H VAL A 21 3.128 -3.944 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 21 3.952 -4.823 0.663 1.00 0.00 H new ATOM 0 HB VAL A 21 5.021 -2.681 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.654 -0.637 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.341 -1.803 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.180 -1.634 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.331 -1.391 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.902 -2.437 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.533 -3.123 2.374 1.00 0.00 H new ATOM 361 N PRO A 22 1.578 -4.759 1.530 1.00 0.00 N ATOM 362 CA PRO A 22 0.196 -4.809 2.007 1.00 0.00 C ATOM 363 C PRO A 22 -0.326 -3.433 2.424 1.00 0.00 C ATOM 364 O PRO A 22 0.284 -2.735 3.243 1.00 0.00 O ATOM 365 CB PRO A 22 0.263 -5.750 3.214 1.00 0.00 C ATOM 366 CG PRO A 22 1.676 -5.690 3.675 1.00 0.00 C ATOM 367 CD PRO A 22 2.506 -5.452 2.444 1.00 0.00 C ATOM 0 HA PRO A 22 -0.489 -5.147 1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.422 -5.432 4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.019 -6.766 2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.816 -4.888 4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.965 -6.619 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.383 -4.843 2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.867 -6.387 2.016 1.00 0.00 H new ATOM 375 N VAL A 23 -1.456 -3.048 1.851 1.00 0.00 N ATOM 376 CA VAL A 23 -2.085 -1.775 2.156 1.00 0.00 C ATOM 377 C VAL A 23 -3.426 -1.992 2.846 1.00 0.00 C ATOM 378 O VAL A 23 -3.996 -3.087 2.795 1.00 0.00 O ATOM 379 CB VAL A 23 -2.299 -0.922 0.884 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.970 -0.599 0.229 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.214 -1.632 -0.100 1.00 0.00 C ATOM 0 H VAL A 23 -1.960 -3.608 1.164 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.411 -1.237 2.823 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.777 0.011 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.141 0.002 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.346 -0.041 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.466 -1.525 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.348 -1.011 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.769 -2.584 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.182 -1.811 0.368 1.00 0.00 H new ATOM 391 N LYS A 24 -3.924 -0.953 3.491 1.00 0.00 N ATOM 392 CA LYS A 24 -5.186 -1.029 4.204 1.00 0.00 C ATOM 393 C LYS A 24 -5.928 0.299 4.090 1.00 0.00 C ATOM 394 O LYS A 24 -5.416 1.254 3.497 1.00 0.00 O ATOM 395 CB LYS A 24 -4.937 -1.389 5.675 1.00 0.00 C ATOM 396 CG LYS A 24 -4.205 -0.309 6.457 1.00 0.00 C ATOM 397 CD LYS A 24 -3.713 -0.831 7.798 1.00 0.00 C ATOM 398 CE LYS A 24 -3.300 0.298 8.729 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.464 1.119 9.159 1.00 0.00 N ATOM 0 H LYS A 24 -3.470 -0.041 3.536 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.804 -1.809 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.894 -1.588 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.359 -2.312 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.359 0.054 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.870 0.540 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.500 -1.420 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.866 -1.499 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.806 -0.118 9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.573 0.935 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.147 1.846 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.890 1.578 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.170 0.508 9.617 1.00 0.00 H new ATOM 413 N SER A 25 -7.111 0.374 4.675 1.00 0.00 N ATOM 414 CA SER A 25 -7.913 1.583 4.604 1.00 0.00 C ATOM 415 C SER A 25 -7.967 2.291 5.951 1.00 0.00 C ATOM 416 O SER A 25 -8.145 1.663 6.995 1.00 0.00 O ATOM 417 CB SER A 25 -9.331 1.248 4.151 1.00 0.00 C ATOM 418 OG SER A 25 -9.328 0.705 2.849 1.00 0.00 O ATOM 0 H SER A 25 -7.537 -0.387 5.204 1.00 0.00 H new ATOM 0 HA SER A 25 -7.444 2.250 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.780 0.537 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.946 2.148 4.173 1.00 0.00 H new ATOM 0 HG SER A 25 -8.658 -0.008 2.794 1.00 0.00 H new ATOM 424 N ASN A 26 -7.756 3.599 5.901 1.00 0.00 N ATOM 425 CA ASN A 26 -7.890 4.466 7.067 1.00 0.00 C ATOM 426 C ASN A 26 -9.306 4.393 7.630 1.00 0.00 C ATOM 427 O ASN A 26 -9.507 4.273 8.841 1.00 0.00 O ATOM 428 CB ASN A 26 -7.550 5.906 6.658 1.00 0.00 C ATOM 429 CG ASN A 26 -7.890 6.939 7.717 1.00 0.00 C ATOM 430 OD1 ASN A 26 -7.842 6.671 8.919 1.00 0.00 O ATOM 431 ND2 ASN A 26 -8.217 8.144 7.270 1.00 0.00 N ATOM 0 H ASN A 26 -7.486 4.091 5.049 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.203 4.135 7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.486 5.968 6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.086 6.150 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.440 8.889 7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.245 8.325 6.267 1.00 0.00 H new ATOM 438 N LYS A 27 -10.286 4.445 6.742 1.00 0.00 N ATOM 439 CA LYS A 27 -11.684 4.405 7.131 1.00 0.00 C ATOM 440 C LYS A 27 -12.360 3.208 6.470 1.00 0.00 C ATOM 441 O LYS A 27 -11.917 2.758 5.414 1.00 0.00 O ATOM 442 CB LYS A 27 -12.388 5.701 6.712 1.00 0.00 C ATOM 443 CG LYS A 27 -11.783 6.955 7.317 1.00 0.00 C ATOM 444 CD LYS A 27 -12.442 8.205 6.756 1.00 0.00 C ATOM 445 CE LYS A 27 -11.764 9.473 7.254 1.00 0.00 C ATOM 446 NZ LYS A 27 -11.924 9.658 8.722 1.00 0.00 N ATOM 0 H LYS A 27 -10.134 4.516 5.736 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.751 4.307 8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.359 5.783 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.438 5.641 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.900 6.933 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.713 6.981 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.406 8.177 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.494 8.220 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.703 9.436 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.182 10.335 6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.505 10.567 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.935 9.652 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.443 8.884 9.224 1.00 0.00 H new ATOM 460 N PRO A 28 -13.417 2.662 7.086 1.00 0.00 N ATOM 461 CA PRO A 28 -14.170 1.539 6.519 1.00 0.00 C ATOM 462 C PRO A 28 -14.805 1.899 5.178 1.00 0.00 C ATOM 463 O PRO A 28 -15.325 3.004 4.995 1.00 0.00 O ATOM 464 CB PRO A 28 -15.246 1.248 7.573 1.00 0.00 C ATOM 465 CG PRO A 28 -14.748 1.887 8.824 1.00 0.00 C ATOM 466 CD PRO A 28 -13.962 3.086 8.384 1.00 0.00 C ATOM 0 HA PRO A 28 -13.531 0.680 6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.210 1.661 7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.386 0.175 7.707 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.576 2.178 9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.125 1.198 9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.593 3.970 8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.172 3.334 9.093 1.00 0.00 H new ATOM 474 N VAL A 29 -14.761 0.964 4.245 1.00 0.00 N ATOM 475 CA VAL A 29 -15.200 1.218 2.885 1.00 0.00 C ATOM 476 C VAL A 29 -16.457 0.421 2.560 1.00 0.00 C ATOM 477 O VAL A 29 -16.559 -0.753 2.913 1.00 0.00 O ATOM 478 CB VAL A 29 -14.101 0.824 1.880 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.396 1.395 0.505 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.730 1.258 2.380 1.00 0.00 C ATOM 0 H VAL A 29 -14.423 0.015 4.407 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.413 2.284 2.805 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.092 -0.262 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.606 1.103 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.351 1.010 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.443 2.482 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.970 0.969 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.716 2.340 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.522 0.776 3.335 1.00 0.00 H new ATOM 490 N GLU A 30 -17.418 1.069 1.911 1.00 0.00 N ATOM 491 CA GLU A 30 -18.582 0.372 1.373 1.00 0.00 C ATOM 492 C GLU A 30 -18.119 -0.753 0.448 1.00 0.00 C ATOM 493 O GLU A 30 -17.458 -0.499 -0.562 1.00 0.00 O ATOM 494 CB GLU A 30 -19.475 1.351 0.609 1.00 0.00 C ATOM 495 CG GLU A 30 -20.060 2.455 1.480 1.00 0.00 C ATOM 496 CD GLU A 30 -21.296 2.019 2.247 1.00 0.00 C ATOM 497 OE1 GLU A 30 -22.339 1.750 1.617 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.238 1.965 3.490 1.00 0.00 O ATOM 0 H GLU A 30 -17.415 2.075 1.744 1.00 0.00 H new ATOM 0 HA GLU A 30 -19.158 -0.054 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.897 1.804 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.290 0.797 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.302 2.792 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.312 3.309 0.852 1.00 0.00 H new ATOM 505 N ILE A 31 -18.470 -1.988 0.803 1.00 0.00 N ATOM 506 CA ILE A 31 -17.976 -3.184 0.112 1.00 0.00 C ATOM 507 C ILE A 31 -18.254 -3.148 -1.399 1.00 0.00 C ATOM 508 O ILE A 31 -17.503 -3.716 -2.192 1.00 0.00 O ATOM 509 CB ILE A 31 -18.586 -4.470 0.729 1.00 0.00 C ATOM 510 CG1 ILE A 31 -18.055 -5.720 0.019 1.00 0.00 C ATOM 511 CG2 ILE A 31 -20.109 -4.425 0.677 1.00 0.00 C ATOM 512 CD1 ILE A 31 -18.564 -7.019 0.606 1.00 0.00 C ATOM 0 H ILE A 31 -19.104 -2.190 1.576 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.895 -3.196 0.248 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.283 -4.520 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.333 -5.674 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -16.966 -5.715 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.515 -5.337 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -20.467 -3.562 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -20.435 -4.344 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.145 -7.858 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.263 -7.089 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.652 -7.047 0.539 1.00 0.00 H new ATOM 524 N SER A 32 -19.311 -2.454 -1.795 1.00 0.00 N ATOM 525 CA SER A 32 -19.692 -2.380 -3.198 1.00 0.00 C ATOM 526 C SER A 32 -18.636 -1.649 -4.036 1.00 0.00 C ATOM 527 O SER A 32 -18.601 -1.790 -5.260 1.00 0.00 O ATOM 528 CB SER A 32 -21.042 -1.677 -3.328 1.00 0.00 C ATOM 529 OG SER A 32 -22.021 -2.295 -2.504 1.00 0.00 O ATOM 0 H SER A 32 -19.921 -1.934 -1.164 1.00 0.00 H new ATOM 0 HA SER A 32 -19.769 -3.398 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.938 -0.628 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.369 -1.701 -4.367 1.00 0.00 H new ATOM 0 HG SER A 32 -22.876 -1.826 -2.604 1.00 0.00 H new ATOM 535 N LYS A 33 -17.768 -0.884 -3.379 1.00 0.00 N ATOM 536 CA LYS A 33 -16.755 -0.110 -4.086 1.00 0.00 C ATOM 537 C LYS A 33 -15.394 -0.797 -4.040 1.00 0.00 C ATOM 538 O LYS A 33 -14.367 -0.168 -4.298 1.00 0.00 O ATOM 539 CB LYS A 33 -16.639 1.295 -3.502 1.00 0.00 C ATOM 540 CG LYS A 33 -17.922 2.102 -3.593 1.00 0.00 C ATOM 541 CD LYS A 33 -17.643 3.593 -3.520 1.00 0.00 C ATOM 542 CE LYS A 33 -16.841 4.063 -4.725 1.00 0.00 C ATOM 543 NZ LYS A 33 -17.594 3.880 -5.996 1.00 0.00 N ATOM 0 H LYS A 33 -17.746 -0.784 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.072 -0.040 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.340 1.221 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.845 1.831 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.434 1.871 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.593 1.815 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.585 4.140 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.095 3.819 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.585 5.115 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.903 3.510 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.942 3.966 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.034 2.938 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.333 4.608 -6.070 1.00 0.00 H new ATOM 557 N TRP A 34 -15.394 -2.086 -3.720 1.00 0.00 N ATOM 558 CA TRP A 34 -14.166 -2.877 -3.724 1.00 0.00 C ATOM 559 C TRP A 34 -13.517 -2.823 -5.103 1.00 0.00 C ATOM 560 O TRP A 34 -12.297 -2.698 -5.233 1.00 0.00 O ATOM 561 CB TRP A 34 -14.476 -4.333 -3.345 1.00 0.00 C ATOM 562 CG TRP A 34 -13.260 -5.216 -3.275 1.00 0.00 C ATOM 563 CD1 TRP A 34 -12.491 -5.459 -2.175 1.00 0.00 C ATOM 564 CD2 TRP A 34 -12.682 -5.979 -4.345 1.00 0.00 C ATOM 565 NE1 TRP A 34 -11.464 -6.314 -2.496 1.00 0.00 N ATOM 566 CE2 TRP A 34 -11.561 -6.648 -3.822 1.00 0.00 C ATOM 567 CE3 TRP A 34 -13.003 -6.155 -5.696 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -10.757 -7.480 -4.601 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -12.207 -6.981 -6.467 1.00 0.00 C ATOM 570 CH2 TRP A 34 -11.097 -7.635 -5.918 1.00 0.00 C ATOM 0 H TRP A 34 -16.230 -2.607 -3.454 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.475 -2.462 -2.991 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.980 -4.347 -2.378 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.173 -4.748 -4.074 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.664 -5.040 -1.195 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -10.746 -6.646 -1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -13.857 -5.655 -6.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.899 -7.983 -4.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -12.445 -7.125 -7.511 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.496 -8.275 -6.547 1.00 0.00 H new ATOM 581 N ILE A 35 -14.356 -2.898 -6.127 1.00 0.00 N ATOM 582 CA ILE A 35 -13.902 -2.904 -7.510 1.00 0.00 C ATOM 583 C ILE A 35 -13.179 -1.603 -7.854 1.00 0.00 C ATOM 584 O ILE A 35 -12.104 -1.622 -8.455 1.00 0.00 O ATOM 585 CB ILE A 35 -15.091 -3.097 -8.471 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.872 -4.356 -8.090 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.609 -3.188 -9.911 1.00 0.00 C ATOM 588 CD1 ILE A 35 -17.131 -4.557 -8.902 1.00 0.00 C ATOM 0 H ILE A 35 -15.369 -2.956 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.207 -3.736 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.750 -2.233 -8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.227 -5.225 -8.215 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.136 -4.304 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.464 -3.324 -10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.086 -2.270 -10.178 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.931 -4.035 -10.015 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.632 -5.469 -8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.797 -3.706 -8.758 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.873 -4.642 -9.958 1.00 0.00 H new ATOM 600 N ASP A 36 -13.774 -0.487 -7.446 1.00 0.00 N ATOM 601 CA ASP A 36 -13.209 0.840 -7.690 1.00 0.00 C ATOM 602 C ASP A 36 -11.774 0.912 -7.186 1.00 0.00 C ATOM 603 O ASP A 36 -10.852 1.251 -7.929 1.00 0.00 O ATOM 604 CB ASP A 36 -14.035 1.914 -6.970 1.00 0.00 C ATOM 605 CG ASP A 36 -15.487 1.951 -7.400 1.00 0.00 C ATOM 606 OD1 ASP A 36 -16.200 0.949 -7.193 1.00 0.00 O ATOM 607 OD2 ASP A 36 -15.933 3.002 -7.909 1.00 0.00 O ATOM 0 H ASP A 36 -14.659 -0.474 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.229 1.018 -8.765 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.987 1.738 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.585 2.890 -7.153 1.00 0.00 H new ATOM 612 N PHE A 37 -11.602 0.576 -5.915 1.00 0.00 N ATOM 613 CA PHE A 37 -10.300 0.645 -5.265 1.00 0.00 C ATOM 614 C PHE A 37 -9.310 -0.313 -5.917 1.00 0.00 C ATOM 615 O PHE A 37 -8.146 0.034 -6.130 1.00 0.00 O ATOM 616 CB PHE A 37 -10.438 0.327 -3.774 1.00 0.00 C ATOM 617 CG PHE A 37 -11.092 1.418 -2.966 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.199 2.099 -3.446 1.00 0.00 C ATOM 619 CD2 PHE A 37 -10.590 1.761 -1.723 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.794 3.098 -2.702 1.00 0.00 C ATOM 621 CE2 PHE A 37 -11.180 2.759 -0.972 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.283 3.428 -1.462 1.00 0.00 C ATOM 0 H PHE A 37 -12.355 0.250 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.916 1.659 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.017 -0.589 -3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.448 0.130 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.602 1.845 -4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.726 1.242 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.657 3.620 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.779 3.015 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.746 4.209 -0.877 1.00 0.00 H new ATOM 632 N SER A 38 -9.782 -1.509 -6.248 1.00 0.00 N ATOM 633 CA SER A 38 -8.945 -2.521 -6.875 1.00 0.00 C ATOM 634 C SER A 38 -8.412 -2.034 -8.222 1.00 0.00 C ATOM 635 O SER A 38 -7.218 -2.141 -8.500 1.00 0.00 O ATOM 636 CB SER A 38 -9.737 -3.820 -7.056 1.00 0.00 C ATOM 637 OG SER A 38 -8.965 -4.811 -7.716 1.00 0.00 O ATOM 0 H SER A 38 -10.746 -1.802 -6.091 1.00 0.00 H new ATOM 0 HA SER A 38 -8.093 -2.712 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.054 -4.193 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.641 -3.619 -7.630 1.00 0.00 H new ATOM 0 HG SER A 38 -9.497 -5.628 -7.815 1.00 0.00 H new ATOM 643 N ASN A 39 -9.296 -1.478 -9.045 1.00 0.00 N ATOM 644 CA ASN A 39 -8.921 -1.038 -10.387 1.00 0.00 C ATOM 645 C ASN A 39 -7.956 0.141 -10.341 1.00 0.00 C ATOM 646 O ASN A 39 -7.158 0.334 -11.257 1.00 0.00 O ATOM 647 CB ASN A 39 -10.159 -0.674 -11.210 1.00 0.00 C ATOM 648 CG ASN A 39 -10.999 -1.890 -11.561 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.487 -3.008 -11.654 1.00 0.00 O ATOM 650 ND2 ASN A 39 -12.290 -1.685 -11.763 1.00 0.00 N ATOM 0 H ASN A 39 -10.276 -1.321 -8.808 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.413 -1.873 -10.870 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.768 0.036 -10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.848 -0.174 -12.127 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.899 -2.467 -12.005 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.677 -0.745 -11.677 1.00 0.00 H new ATOM 657 N VAL A 40 -8.024 0.927 -9.277 1.00 0.00 N ATOM 658 CA VAL A 40 -7.115 2.051 -9.114 1.00 0.00 C ATOM 659 C VAL A 40 -5.735 1.576 -8.657 1.00 0.00 C ATOM 660 O VAL A 40 -4.716 1.981 -9.215 1.00 0.00 O ATOM 661 CB VAL A 40 -7.665 3.094 -8.116 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.664 4.217 -7.892 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.986 3.658 -8.615 1.00 0.00 C ATOM 0 H VAL A 40 -8.695 0.808 -8.518 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.023 2.529 -10.089 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.833 2.593 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.077 4.937 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.738 3.805 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.458 4.715 -8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.361 4.391 -7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.835 4.137 -9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.710 2.850 -8.720 1.00 0.00 H new ATOM 673 N LEU A 41 -5.710 0.697 -7.661 1.00 0.00 N ATOM 674 CA LEU A 41 -4.450 0.229 -7.087 1.00 0.00 C ATOM 675 C LEU A 41 -3.696 -0.696 -8.039 1.00 0.00 C ATOM 676 O LEU A 41 -2.465 -0.732 -8.029 1.00 0.00 O ATOM 677 CB LEU A 41 -4.693 -0.482 -5.755 1.00 0.00 C ATOM 678 CG LEU A 41 -5.181 0.417 -4.617 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.378 -0.394 -3.347 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.199 1.554 -4.374 1.00 0.00 C ATOM 0 H LEU A 41 -6.544 0.294 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.831 1.110 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.426 -1.273 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.766 -0.964 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.140 0.847 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.725 0.261 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.118 -1.174 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.432 -0.851 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.564 2.182 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.226 1.143 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.104 2.152 -5.280 1.00 0.00 H new ATOM 692 N SER A 42 -4.422 -1.430 -8.869 1.00 0.00 N ATOM 693 CA SER A 42 -3.795 -2.340 -9.820 1.00 0.00 C ATOM 694 C SER A 42 -3.068 -1.563 -10.916 1.00 0.00 C ATOM 695 O SER A 42 -2.144 -2.073 -11.553 1.00 0.00 O ATOM 696 CB SER A 42 -4.843 -3.273 -10.428 1.00 0.00 C ATOM 697 OG SER A 42 -5.956 -2.542 -10.910 1.00 0.00 O ATOM 0 H SER A 42 -5.441 -1.415 -8.905 1.00 0.00 H new ATOM 0 HA SER A 42 -3.059 -2.942 -9.287 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.398 -3.844 -11.243 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.173 -3.992 -9.678 1.00 0.00 H new ATOM 0 HG SER A 42 -6.565 -2.346 -10.168 1.00 0.00 H new ATOM 703 N ARG A 43 -3.473 -0.320 -11.116 1.00 0.00 N ATOM 704 CA ARG A 43 -2.873 0.520 -12.138 1.00 0.00 C ATOM 705 C ARG A 43 -1.994 1.587 -11.496 1.00 0.00 C ATOM 706 O ARG A 43 -1.542 2.523 -12.157 1.00 0.00 O ATOM 707 CB ARG A 43 -3.969 1.153 -12.997 1.00 0.00 C ATOM 708 CG ARG A 43 -4.868 0.116 -13.648 1.00 0.00 C ATOM 709 CD ARG A 43 -6.007 0.750 -14.424 1.00 0.00 C ATOM 710 NE ARG A 43 -6.918 -0.260 -14.965 1.00 0.00 N ATOM 711 CZ ARG A 43 -8.175 -0.013 -15.323 1.00 0.00 C ATOM 712 NH1 ARG A 43 -8.666 1.213 -15.223 1.00 0.00 N ATOM 713 NH2 ARG A 43 -8.938 -0.996 -15.784 1.00 0.00 N ATOM 0 H ARG A 43 -4.217 0.130 -10.582 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.241 -0.092 -12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.573 1.816 -12.378 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.510 1.769 -13.771 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.275 -0.506 -14.319 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.276 -0.542 -12.881 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.559 1.427 -13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.603 1.350 -15.239 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.567 -1.212 -15.074 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.080 1.970 -14.871 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.630 1.400 -15.498 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.560 -1.940 -15.864 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.902 -0.807 -16.059 1.00 0.00 H new ATOM 727 N LEU A 44 -1.752 1.430 -10.200 1.00 0.00 N ATOM 728 CA LEU A 44 -0.897 2.344 -9.457 1.00 0.00 C ATOM 729 C LEU A 44 0.360 1.615 -8.988 1.00 0.00 C ATOM 730 O LEU A 44 0.309 0.431 -8.647 1.00 0.00 O ATOM 731 CB LEU A 44 -1.658 2.924 -8.257 1.00 0.00 C ATOM 732 CG LEU A 44 -0.893 3.958 -7.426 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.593 5.203 -8.251 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.681 4.323 -6.175 1.00 0.00 C ATOM 0 H LEU A 44 -2.140 0.671 -9.639 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.603 3.166 -10.110 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.577 3.384 -8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.950 2.102 -7.603 1.00 0.00 H new ATOM 0 HG LEU A 44 0.056 3.516 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.049 5.923 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.013 4.930 -9.115 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.528 5.649 -8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.123 5.059 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.645 4.742 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.839 3.430 -5.571 1.00 0.00 H new ATOM 746 N TYR A 45 1.486 2.315 -8.997 1.00 0.00 N ATOM 747 CA TYR A 45 2.752 1.743 -8.558 1.00 0.00 C ATOM 748 C TYR A 45 3.437 2.679 -7.579 1.00 0.00 C ATOM 749 O TYR A 45 3.380 3.898 -7.735 1.00 0.00 O ATOM 750 CB TYR A 45 3.673 1.475 -9.754 1.00 0.00 C ATOM 751 CG TYR A 45 3.137 0.437 -10.713 1.00 0.00 C ATOM 752 CD1 TYR A 45 3.350 -0.914 -10.484 1.00 0.00 C ATOM 753 CD2 TYR A 45 2.413 0.807 -11.840 1.00 0.00 C ATOM 754 CE1 TYR A 45 2.856 -1.872 -11.349 1.00 0.00 C ATOM 755 CE2 TYR A 45 1.913 -0.144 -12.710 1.00 0.00 C ATOM 756 CZ TYR A 45 2.139 -1.481 -12.461 1.00 0.00 C ATOM 757 OH TYR A 45 1.640 -2.432 -13.328 1.00 0.00 O ATOM 0 H TYR A 45 1.549 3.285 -9.305 1.00 0.00 H new ATOM 0 HA TYR A 45 2.544 0.795 -8.062 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.833 2.408 -10.294 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.646 1.149 -9.386 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.912 -1.223 -9.615 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.238 1.854 -12.039 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.030 -2.920 -11.156 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.349 0.159 -13.580 1.00 0.00 H new ATOM 0 HH TYR A 45 1.159 -1.989 -14.058 1.00 0.00 H new ATOM 767 N VAL A 46 4.072 2.112 -6.570 1.00 0.00 N ATOM 768 CA VAL A 46 4.783 2.900 -5.581 1.00 0.00 C ATOM 769 C VAL A 46 6.260 2.520 -5.583 1.00 0.00 C ATOM 770 O VAL A 46 6.608 1.360 -5.799 1.00 0.00 O ATOM 771 CB VAL A 46 4.174 2.720 -4.167 1.00 0.00 C ATOM 772 CG1 VAL A 46 4.276 1.273 -3.703 1.00 0.00 C ATOM 773 CG2 VAL A 46 4.829 3.657 -3.161 1.00 0.00 C ATOM 0 H VAL A 46 4.110 1.105 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 46 4.684 3.953 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 46 3.117 2.980 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.841 1.178 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.737 0.629 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.324 0.974 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.381 3.507 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.897 3.445 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.679 4.690 -3.475 1.00 0.00 H new ATOM 783 N GLY A 47 7.126 3.496 -5.373 1.00 0.00 N ATOM 784 CA GLY A 47 8.547 3.231 -5.383 1.00 0.00 C ATOM 785 C GLY A 47 9.205 3.615 -4.078 1.00 0.00 C ATOM 786 O GLY A 47 8.614 4.347 -3.281 1.00 0.00 O ATOM 0 H GLY A 47 6.871 4.467 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.717 2.172 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.013 3.783 -6.200 1.00 0.00 H new ATOM 790 N VAL A 48 10.423 3.108 -3.868 1.00 0.00 N ATOM 791 CA VAL A 48 11.218 3.400 -2.672 1.00 0.00 C ATOM 792 C VAL A 48 10.699 2.626 -1.458 1.00 0.00 C ATOM 793 O VAL A 48 9.506 2.641 -1.162 1.00 0.00 O ATOM 794 CB VAL A 48 11.261 4.919 -2.351 1.00 0.00 C ATOM 795 CG1 VAL A 48 12.030 5.191 -1.064 1.00 0.00 C ATOM 796 CG2 VAL A 48 11.872 5.697 -3.511 1.00 0.00 C ATOM 0 H VAL A 48 10.887 2.481 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 48 12.235 3.075 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 48 10.235 5.257 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.042 6.263 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.546 4.675 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.053 4.830 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.893 6.759 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.888 5.346 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.272 5.543 -4.408 1.00 0.00 H new ATOM 806 N PRO A 49 11.600 1.908 -0.762 1.00 0.00 N ATOM 807 CA PRO A 49 11.269 1.182 0.470 1.00 0.00 C ATOM 808 C PRO A 49 10.619 2.099 1.502 1.00 0.00 C ATOM 809 O PRO A 49 11.267 2.993 2.057 1.00 0.00 O ATOM 810 CB PRO A 49 12.627 0.675 0.977 1.00 0.00 C ATOM 811 CG PRO A 49 13.646 1.444 0.203 1.00 0.00 C ATOM 812 CD PRO A 49 13.013 1.746 -1.119 1.00 0.00 C ATOM 0 HA PRO A 49 10.552 0.380 0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.736 0.845 2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.734 -0.397 0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.921 2.361 0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.560 0.864 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.424 2.649 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.161 0.937 -1.835 1.00 0.00 H new ATOM 820 N THR A 50 9.339 1.874 1.744 1.00 0.00 N ATOM 821 CA THR A 50 8.543 2.770 2.560 1.00 0.00 C ATOM 822 C THR A 50 8.382 2.273 3.999 1.00 0.00 C ATOM 823 O THR A 50 9.115 1.391 4.456 1.00 0.00 O ATOM 824 CB THR A 50 7.163 2.969 1.913 1.00 0.00 C ATOM 825 OG1 THR A 50 6.715 1.734 1.338 1.00 0.00 O ATOM 826 CG2 THR A 50 7.213 4.049 0.843 1.00 0.00 C ATOM 0 H THR A 50 8.826 1.070 1.382 1.00 0.00 H new ATOM 0 HA THR A 50 9.074 3.721 2.611 1.00 0.00 H new ATOM 0 HB THR A 50 6.463 3.287 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.834 1.864 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.224 4.170 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.528 4.991 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.924 3.761 0.068 1.00 0.00 H new ATOM 834 N LYS A 51 7.416 2.854 4.700 1.00 0.00 N ATOM 835 CA LYS A 51 7.217 2.613 6.124 1.00 0.00 C ATOM 836 C LYS A 51 5.768 2.199 6.399 1.00 0.00 C ATOM 837 O LYS A 51 5.123 1.592 5.554 1.00 0.00 O ATOM 838 CB LYS A 51 7.560 3.897 6.887 1.00 0.00 C ATOM 839 CG LYS A 51 6.795 5.113 6.381 1.00 0.00 C ATOM 840 CD LYS A 51 7.355 6.415 6.925 1.00 0.00 C ATOM 841 CE LYS A 51 7.172 6.533 8.427 1.00 0.00 C ATOM 842 NZ LYS A 51 7.709 7.821 8.936 1.00 0.00 N ATOM 0 H LYS A 51 6.746 3.508 4.295 1.00 0.00 H new ATOM 0 HA LYS A 51 7.865 1.802 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.343 3.753 7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.630 4.087 6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.829 5.133 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.747 5.024 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.416 6.482 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.863 7.254 6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.113 6.455 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.677 5.704 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.570 7.873 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.725 7.883 8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.209 8.610 8.479 1.00 0.00 H new ATOM 856 N SER A 52 5.283 2.473 7.598 1.00 0.00 N ATOM 857 CA SER A 52 3.862 2.328 7.891 1.00 0.00 C ATOM 858 C SER A 52 3.176 3.690 7.809 1.00 0.00 C ATOM 859 O SER A 52 3.708 4.686 8.303 1.00 0.00 O ATOM 860 CB SER A 52 3.642 1.719 9.279 1.00 0.00 C ATOM 861 OG SER A 52 4.307 0.475 9.409 1.00 0.00 O ATOM 0 H SER A 52 5.848 2.796 8.384 1.00 0.00 H new ATOM 0 HA SER A 52 3.429 1.654 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.004 2.408 10.042 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.575 1.583 9.453 1.00 0.00 H new ATOM 0 HG SER A 52 5.241 0.573 9.129 1.00 0.00 H new ATOM 867 N GLY A 53 2.014 3.734 7.169 1.00 0.00 N ATOM 868 CA GLY A 53 1.281 4.981 7.046 1.00 0.00 C ATOM 869 C GLY A 53 1.508 5.639 5.700 1.00 0.00 C ATOM 870 O GLY A 53 1.350 6.853 5.553 1.00 0.00 O ATOM 0 H GLY A 53 1.565 2.929 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.216 4.791 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.588 5.662 7.840 1.00 0.00 H new ATOM 874 N ASN A 54 1.873 4.828 4.715 1.00 0.00 N ATOM 875 CA ASN A 54 2.147 5.318 3.368 1.00 0.00 C ATOM 876 C ASN A 54 0.849 5.557 2.629 1.00 0.00 C ATOM 877 O ASN A 54 0.250 4.613 2.116 1.00 0.00 O ATOM 878 CB ASN A 54 2.958 4.294 2.572 1.00 0.00 C ATOM 879 CG ASN A 54 4.171 3.784 3.311 1.00 0.00 C ATOM 880 OD1 ASN A 54 4.874 4.530 3.986 1.00 0.00 O ATOM 881 ND2 ASN A 54 4.404 2.488 3.211 1.00 0.00 N ATOM 0 H ASN A 54 1.987 3.820 4.824 1.00 0.00 H new ATOM 0 HA ASN A 54 2.712 6.246 3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.315 3.451 2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.277 4.746 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.193 2.072 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.795 1.903 2.639 1.00 0.00 H new ATOM 888 N VAL A 55 0.404 6.798 2.577 1.00 0.00 N ATOM 889 CA VAL A 55 -0.822 7.113 1.867 1.00 0.00 C ATOM 890 C VAL A 55 -0.551 7.146 0.368 1.00 0.00 C ATOM 891 O VAL A 55 -0.133 8.174 -0.174 1.00 0.00 O ATOM 892 CB VAL A 55 -1.429 8.472 2.290 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.819 8.651 1.698 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.476 8.616 3.800 1.00 0.00 C ATOM 0 H VAL A 55 0.866 7.596 3.012 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.541 6.334 2.119 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.779 9.255 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.226 9.613 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.758 8.617 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.470 7.851 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.908 9.582 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.088 7.819 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.466 8.550 4.203 1.00 0.00 H new ATOM 904 N VAL A 56 -0.753 6.015 -0.292 1.00 0.00 N ATOM 905 CA VAL A 56 -0.521 5.926 -1.724 1.00 0.00 C ATOM 906 C VAL A 56 -1.624 6.635 -2.496 1.00 0.00 C ATOM 907 O VAL A 56 -1.349 7.385 -3.432 1.00 0.00 O ATOM 908 CB VAL A 56 -0.385 4.467 -2.216 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.951 3.890 -1.783 1.00 0.00 C ATOM 910 CG2 VAL A 56 -1.526 3.597 -1.704 1.00 0.00 C ATOM 0 H VAL A 56 -1.076 5.149 0.140 1.00 0.00 H new ATOM 0 HA VAL A 56 0.430 6.423 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.435 4.475 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.035 2.862 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.759 4.486 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.019 3.907 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.399 2.578 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.521 3.595 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.476 3.995 -2.062 1.00 0.00 H new ATOM 920 N CYS A 57 -2.866 6.391 -2.106 1.00 0.00 N ATOM 921 CA CYS A 57 -3.998 7.080 -2.696 1.00 0.00 C ATOM 922 C CYS A 57 -4.903 7.625 -1.595 1.00 0.00 C ATOM 923 O CYS A 57 -5.406 6.868 -0.763 1.00 0.00 O ATOM 924 CB CYS A 57 -4.772 6.139 -3.619 1.00 0.00 C ATOM 925 SG CYS A 57 -5.875 6.984 -4.772 1.00 0.00 S ATOM 0 H CYS A 57 -3.113 5.718 -1.381 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.634 7.916 -3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.062 5.538 -4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.358 5.450 -3.010 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.985 6.282 -5.861 1.00 0.00 H new ATOM 931 N LYS A 58 -5.088 8.934 -1.578 1.00 0.00 N ATOM 932 CA LYS A 58 -5.934 9.580 -0.584 1.00 0.00 C ATOM 933 C LYS A 58 -7.257 9.978 -1.221 1.00 0.00 C ATOM 934 O LYS A 58 -7.278 10.352 -2.395 1.00 0.00 O ATOM 935 CB LYS A 58 -5.217 10.805 -0.014 1.00 0.00 C ATOM 936 CG LYS A 58 -5.996 11.545 1.060 1.00 0.00 C ATOM 937 CD LYS A 58 -5.130 12.597 1.729 1.00 0.00 C ATOM 938 CE LYS A 58 -5.904 13.405 2.758 1.00 0.00 C ATOM 939 NZ LYS A 58 -6.597 12.544 3.755 1.00 0.00 N ATOM 0 H LYS A 58 -4.661 9.576 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.136 8.886 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.259 10.490 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.000 11.496 -0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.873 12.018 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.357 10.837 1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.281 12.113 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.725 13.268 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.220 14.077 3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.639 14.028 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.726 13.074 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.526 12.260 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.024 11.696 3.939 1.00 0.00 H new ATOM 953 N ASN A 59 -8.353 9.879 -0.455 1.00 0.00 N ATOM 954 CA ASN A 59 -9.712 10.148 -0.957 1.00 0.00 C ATOM 955 C ASN A 59 -9.928 9.492 -2.319 1.00 0.00 C ATOM 956 O ASN A 59 -10.576 10.045 -3.207 1.00 0.00 O ATOM 957 CB ASN A 59 -10.033 11.665 -0.993 1.00 0.00 C ATOM 958 CG ASN A 59 -9.122 12.495 -1.889 1.00 0.00 C ATOM 959 OD1 ASN A 59 -8.076 12.984 -1.451 1.00 0.00 O ATOM 960 ND2 ASN A 59 -9.523 12.692 -3.133 1.00 0.00 N ATOM 0 H ASN A 59 -8.325 9.611 0.529 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.414 9.700 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.062 11.795 -1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.975 12.058 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.963 13.264 -3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.393 12.272 -3.461 1.00 0.00 H new ATOM 967 N ILE A 60 -9.395 8.279 -2.438 1.00 0.00 N ATOM 968 CA ILE A 60 -9.467 7.501 -3.666 1.00 0.00 C ATOM 969 C ILE A 60 -10.911 7.313 -4.118 1.00 0.00 C ATOM 970 O ILE A 60 -11.769 6.897 -3.336 1.00 0.00 O ATOM 971 CB ILE A 60 -8.788 6.123 -3.473 1.00 0.00 C ATOM 972 CG1 ILE A 60 -9.021 5.216 -4.688 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.279 5.456 -2.195 1.00 0.00 C ATOM 974 CD1 ILE A 60 -8.377 3.848 -4.556 1.00 0.00 C ATOM 0 H ILE A 60 -8.899 7.808 -1.681 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.937 8.054 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.714 6.287 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.093 5.091 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.630 5.708 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.790 4.489 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.041 6.089 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.358 5.312 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.583 3.261 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.300 3.963 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.785 3.336 -3.685 1.00 0.00 H new ATOM 986 N MET A 61 -11.175 7.665 -5.375 1.00 0.00 N ATOM 987 CA MET A 61 -12.497 7.517 -5.975 1.00 0.00 C ATOM 988 C MET A 61 -13.527 8.392 -5.267 1.00 0.00 C ATOM 989 O MET A 61 -14.707 8.051 -5.213 1.00 0.00 O ATOM 990 CB MET A 61 -12.937 6.048 -5.966 1.00 0.00 C ATOM 991 CG MET A 61 -12.093 5.160 -6.865 1.00 0.00 C ATOM 992 SD MET A 61 -12.145 5.679 -8.590 1.00 0.00 S ATOM 993 CE MET A 61 -13.903 5.563 -8.905 1.00 0.00 C ATOM 0 H MET A 61 -10.477 8.061 -6.005 1.00 0.00 H new ATOM 0 HA MET A 61 -12.431 7.850 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.890 5.669 -4.945 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.979 5.986 -6.281 1.00 0.00 H new ATOM 0 HG2 MET A 61 -11.060 5.172 -6.516 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.444 4.131 -6.787 1.00 0.00 H new ATOM 0 HE1 MET A 61 -14.068 5.201 -9.920 1.00 0.00 H new ATOM 0 HE2 MET A 61 -14.355 4.870 -8.195 1.00 0.00 H new ATOM 0 HE3 MET A 61 -14.359 6.547 -8.792 1.00 0.00 H new ATOM 1003 N ASN A 62 -13.057 9.521 -4.727 1.00 0.00 N ATOM 1004 CA ASN A 62 -13.929 10.546 -4.141 1.00 0.00 C ATOM 1005 C ASN A 62 -14.564 10.075 -2.837 1.00 0.00 C ATOM 1006 O ASN A 62 -15.535 10.666 -2.362 1.00 0.00 O ATOM 1007 CB ASN A 62 -15.022 10.960 -5.140 1.00 0.00 C ATOM 1008 CG ASN A 62 -14.459 11.549 -6.419 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -13.372 12.292 -6.301 1.00 0.00 O flip ATOM 1010 ND2 ASN A 62 -15.003 11.346 -7.505 1.00 0.00 N flip ATOM 0 H ASN A 62 -12.064 9.750 -4.683 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.305 11.410 -3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -15.632 10.091 -5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.681 11.690 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.841 10.767 -7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.616 11.757 -8.354 1.00 0.00 H new ATOM 1017 N THR A 63 -13.995 9.035 -2.244 1.00 0.00 N ATOM 1018 CA THR A 63 -14.543 8.457 -1.024 1.00 0.00 C ATOM 1019 C THR A 63 -14.183 9.285 0.206 1.00 0.00 C ATOM 1020 O THR A 63 -15.061 9.810 0.894 1.00 0.00 O ATOM 1021 CB THR A 63 -14.041 7.016 -0.827 1.00 0.00 C ATOM 1022 OG1 THR A 63 -12.604 6.988 -0.831 1.00 0.00 O ATOM 1023 CG2 THR A 63 -14.564 6.114 -1.930 1.00 0.00 C ATOM 0 H THR A 63 -13.153 8.573 -2.588 1.00 0.00 H new ATOM 0 HA THR A 63 -15.627 8.454 -1.136 1.00 0.00 H new ATOM 0 HB THR A 63 -14.409 6.655 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.280 6.953 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.199 5.099 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.654 6.114 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.216 6.481 -2.896 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.889 9.398 0.467 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.420 10.063 1.664 1.00 0.00 C ATOM 1033 C GLY A 64 -11.539 9.146 2.482 1.00 0.00 C ATOM 1034 O GLY A 64 -11.064 9.512 3.555 1.00 0.00 O ATOM 0 H GLY A 64 -12.150 9.037 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.864 10.960 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.272 10.385 2.263 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.329 7.940 1.970 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.478 6.959 2.626 1.00 0.00 C ATOM 1040 C VAL A 65 -9.029 7.126 2.188 1.00 0.00 C ATOM 1041 O VAL A 65 -8.747 7.390 1.017 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.936 5.516 2.302 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.990 4.496 2.910 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.352 5.270 2.791 1.00 0.00 C ATOM 0 H VAL A 65 -11.741 7.617 1.095 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.558 7.127 3.700 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.920 5.402 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.334 3.491 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.988 4.643 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.967 4.621 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.648 4.249 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.395 5.415 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.032 5.969 2.304 1.00 0.00 H new ATOM 1054 N ASP A 66 -8.122 6.985 3.139 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.698 7.005 2.856 1.00 0.00 C ATOM 1056 C ASP A 66 -6.197 5.576 2.704 1.00 0.00 C ATOM 1057 O ASP A 66 -6.247 4.793 3.658 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.931 7.696 3.991 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.422 9.100 4.284 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -7.569 9.244 4.764 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -5.666 10.065 4.046 1.00 0.00 O ATOM 0 H ASP A 66 -8.351 6.854 4.124 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.530 7.560 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.016 7.094 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.873 7.736 3.732 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.755 5.223 1.507 1.00 0.00 N ATOM 1067 CA ILE A 67 -5.180 3.907 1.278 1.00 0.00 C ATOM 1068 C ILE A 67 -3.720 3.923 1.691 1.00 0.00 C ATOM 1069 O ILE A 67 -2.879 4.520 1.016 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.299 3.460 -0.196 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.765 3.457 -0.630 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.687 2.075 -0.387 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.652 2.562 0.213 1.00 0.00 C ATOM 0 H ILE A 67 -5.783 5.825 0.684 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.741 3.190 1.878 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.750 4.167 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.149 4.476 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.825 3.137 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.780 1.777 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.633 2.102 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.210 1.356 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.676 2.613 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.295 1.534 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.623 2.895 1.251 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.428 3.292 2.814 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.104 3.377 3.396 1.00 0.00 C ATOM 1087 C ILE A 68 -1.433 2.018 3.503 1.00 0.00 C ATOM 1088 O ILE A 68 -2.040 1.038 3.936 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.140 4.035 4.794 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.072 3.268 5.738 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.580 5.485 4.681 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.129 3.847 7.136 1.00 0.00 C ATOM 0 H ILE A 68 -4.088 2.718 3.338 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.519 4.000 2.719 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.134 4.003 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.077 3.260 5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.743 2.231 5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.601 5.937 5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.879 6.030 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.576 5.530 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.808 3.253 7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.133 3.830 7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.488 4.875 7.090 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.181 1.963 3.089 1.00 0.00 N ATOM 1105 CA CYS A 69 0.637 0.776 3.303 1.00 0.00 C ATOM 1106 C CYS A 69 1.117 0.778 4.750 1.00 0.00 C ATOM 1107 O CYS A 69 1.326 1.846 5.326 1.00 0.00 O ATOM 1108 CB CYS A 69 1.832 0.764 2.356 1.00 0.00 C ATOM 1109 SG CYS A 69 1.514 1.525 0.749 1.00 0.00 S ATOM 0 H CYS A 69 0.294 2.723 2.603 1.00 0.00 H new ATOM 0 HA CYS A 69 0.044 -0.116 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.664 1.283 2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.147 -0.268 2.200 1.00 0.00 H new ATOM 0 HG CYS A 69 2.589 1.466 0.021 1.00 0.00 H new ATOM 1115 N THR A 70 1.283 -0.390 5.349 1.00 0.00 N ATOM 1116 CA THR A 70 1.580 -0.440 6.773 1.00 0.00 C ATOM 1117 C THR A 70 2.745 -1.371 7.110 1.00 0.00 C ATOM 1118 O THR A 70 2.980 -1.681 8.279 1.00 0.00 O ATOM 1119 CB THR A 70 0.321 -0.855 7.571 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.576 -0.806 8.979 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.137 -2.256 7.184 1.00 0.00 C ATOM 0 H THR A 70 1.219 -1.297 4.886 1.00 0.00 H new ATOM 0 HA THR A 70 1.885 0.566 7.062 1.00 0.00 H new ATOM 0 HB THR A 70 -0.471 -0.148 7.326 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.438 -1.232 9.170 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.023 -2.521 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.375 -2.280 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.659 -2.970 7.394 1.00 0.00 H new ATOM 1129 N LYS A 71 3.504 -1.781 6.114 1.00 0.00 N ATOM 1130 CA LYS A 71 4.654 -2.629 6.377 1.00 0.00 C ATOM 1131 C LYS A 71 5.944 -1.887 6.067 1.00 0.00 C ATOM 1132 O LYS A 71 6.143 -1.409 4.951 1.00 0.00 O ATOM 1133 CB LYS A 71 4.590 -3.932 5.578 1.00 0.00 C ATOM 1134 CG LYS A 71 5.714 -4.893 5.938 1.00 0.00 C ATOM 1135 CD LYS A 71 5.536 -6.260 5.299 1.00 0.00 C ATOM 1136 CE LYS A 71 6.558 -7.251 5.838 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.290 -8.642 5.383 1.00 0.00 N ATOM 0 H LYS A 71 3.352 -1.548 5.133 1.00 0.00 H new ATOM 0 HA LYS A 71 4.636 -2.886 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.630 -4.417 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.638 -3.704 4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.667 -4.468 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.759 -5.005 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.529 -6.628 5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.641 -6.176 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.556 -6.952 5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.552 -7.220 6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.499 -9.306 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.290 -8.732 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.893 -8.862 4.565 1.00 0.00 H new ATOM 1151 N ASN A 72 6.803 -1.781 7.071 1.00 0.00 N ATOM 1152 CA ASN A 72 8.100 -1.137 6.910 1.00 0.00 C ATOM 1153 C ASN A 72 8.967 -1.990 5.995 1.00 0.00 C ATOM 1154 O ASN A 72 9.378 -3.089 6.373 1.00 0.00 O ATOM 1155 CB ASN A 72 8.795 -0.958 8.268 1.00 0.00 C ATOM 1156 CG ASN A 72 7.878 -0.352 9.314 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.876 0.378 8.865 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.060 -0.553 10.512 1.00 0.00 N flip ATOM 0 H ASN A 72 6.624 -2.135 8.011 1.00 0.00 H new ATOM 0 HA ASN A 72 7.953 -0.150 6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.153 -1.926 8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.670 -0.320 8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.847 -1.124 10.819 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.424 -0.149 11.199 1.00 0.00 H new ATOM 1165 N LEU A 73 9.219 -1.499 4.794 1.00 0.00 N ATOM 1166 CA LEU A 73 9.915 -2.284 3.784 1.00 0.00 C ATOM 1167 C LEU A 73 11.425 -2.126 3.899 1.00 0.00 C ATOM 1168 O LEU A 73 11.956 -1.027 3.737 1.00 0.00 O ATOM 1169 CB LEU A 73 9.452 -1.878 2.384 1.00 0.00 C ATOM 1170 CG LEU A 73 7.965 -2.096 2.104 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.615 -1.642 0.696 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.591 -3.557 2.302 1.00 0.00 C ATOM 0 H LEU A 73 8.953 -0.561 4.493 1.00 0.00 H new ATOM 0 HA LEU A 73 9.671 -3.333 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.683 -0.824 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.030 -2.439 1.650 1.00 0.00 H new ATOM 0 HG LEU A 73 7.392 -1.497 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.553 -1.805 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.843 -0.582 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.198 -2.214 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.529 -3.692 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.173 -4.177 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.803 -3.851 3.330 1.00 0.00 H new ATOM 1184 N PRO A 74 12.132 -3.225 4.189 1.00 0.00 N ATOM 1185 CA PRO A 74 13.589 -3.236 4.229 1.00 0.00 C ATOM 1186 C PRO A 74 14.196 -3.429 2.841 1.00 0.00 C ATOM 1187 O PRO A 74 13.524 -3.890 1.911 1.00 0.00 O ATOM 1188 CB PRO A 74 13.890 -4.439 5.120 1.00 0.00 C ATOM 1189 CG PRO A 74 12.772 -5.390 4.853 1.00 0.00 C ATOM 1190 CD PRO A 74 11.565 -4.546 4.519 1.00 0.00 C ATOM 0 HA PRO A 74 14.008 -2.298 4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.855 -4.882 4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.927 -4.155 6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.019 -6.058 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.579 -6.017 5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.007 -4.962 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.875 -4.485 5.361 1.00 0.00 H new