USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 746 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 92 SER OG : rot 125:sc= -0.249 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 6:sc= 1.08 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= 0.00225 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -9.58! C(o=-9.6!,f=-12!) USER MOD Single : A 28 GLN : amide:sc= -0.0418 K(o=-0.042,f=-1.6!) USER MOD Single : A 37 ASN : amide:sc= 0.621 K(o=0.62,f=-0.89) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 48 MET CE :methyl 178:sc= 0 (180deg=-0.00335) USER MOD Single : A 49 SER OG : rot 160:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.3!) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.04 F(o=-4.6!,f=-2) USER MOD Single : A 56 MET CE :methyl 141:sc= -0.468 (180deg=-2.09!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 75 GLN : amide:sc= -0.888 K(o=-0.89,f=-4.8!) USER MOD Single : A 78 ASN : amide:sc= -2.66! K(o=-2.7!,f=-3.2) USER MOD Single : A 82 TYR OH : rot 30:sc= -1.36 USER MOD Single : A 83 CYS SG : rot -175:sc= -2.75 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 147:sc= 0.323 (180deg=-1.09!) USER MOD Single : A 95 SER OG : rot -41:sc= 0.241 USER MOD Single : A 96 ASN : amide:sc= -0.0741 K(o=-0.074,f=-0.96) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -7.849 -1.705 -1.328 1.00 0.00 N ATOM 84 CA VAL A 9 -7.184 -0.810 -2.261 1.00 0.00 C ATOM 85 C VAL A 9 -5.903 -0.273 -1.619 1.00 0.00 C ATOM 86 O VAL A 9 -5.952 0.639 -0.795 1.00 0.00 O ATOM 87 CB VAL A 9 -8.144 0.298 -2.698 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.376 1.537 -3.162 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.095 -0.199 -3.789 1.00 0.00 C ATOM 0 HA VAL A 9 -6.895 -1.346 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.745 0.581 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.082 2.309 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.760 1.911 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.738 1.275 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.767 0.608 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.518 -0.523 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.679 -1.037 -3.409 1.00 0.00 H new ATOM 99 N ILE A 10 -4.786 -0.860 -2.023 1.00 0.00 N ATOM 100 CA ILE A 10 -3.494 -0.452 -1.498 1.00 0.00 C ATOM 101 C ILE A 10 -3.191 0.977 -1.955 1.00 0.00 C ATOM 102 O ILE A 10 -2.406 1.183 -2.879 1.00 0.00 O ATOM 103 CB ILE A 10 -2.414 -1.464 -1.885 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.730 -2.848 -1.317 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.027 -0.974 -1.464 1.00 0.00 C ATOM 106 CD1 ILE A 10 -2.960 -2.781 0.194 1.00 0.00 C ATOM 0 H ILE A 10 -4.749 -1.615 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.512 -0.442 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.407 -1.556 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.617 -3.252 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.908 -3.530 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.278 -1.712 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.811 -0.026 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.003 -0.834 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.183 -3.779 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.063 -2.400 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.798 -2.117 0.405 1.00 0.00 H new ATOM 118 N ARG A 11 -3.829 1.926 -1.286 1.00 0.00 N ATOM 119 CA ARG A 11 -3.638 3.329 -1.612 1.00 0.00 C ATOM 120 C ARG A 11 -2.152 3.688 -1.560 1.00 0.00 C ATOM 121 O ARG A 11 -1.607 3.938 -0.486 1.00 0.00 O ATOM 122 CB ARG A 11 -4.407 4.229 -0.643 1.00 0.00 C ATOM 123 CG ARG A 11 -5.914 3.991 -0.752 1.00 0.00 C ATOM 124 CD ARG A 11 -6.696 5.069 0.002 1.00 0.00 C ATOM 125 NE ARG A 11 -8.150 4.842 -0.152 1.00 0.00 N ATOM 126 CZ ARG A 11 -9.094 5.616 0.400 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.743 6.672 1.146 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.390 5.333 0.206 1.00 0.00 N ATOM 0 H ARG A 11 -4.479 1.751 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.019 3.490 -2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.078 4.035 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.184 5.274 -0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.210 3.989 -1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.161 3.009 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.427 5.053 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.431 6.055 -0.379 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.453 4.046 -0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.757 6.887 1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.462 7.261 1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.657 4.529 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.109 5.922 0.626 1.00 0.00 H new ATOM 142 N VAL A 12 -1.538 3.701 -2.734 1.00 0.00 N ATOM 143 CA VAL A 12 -0.125 4.026 -2.836 1.00 0.00 C ATOM 144 C VAL A 12 0.030 5.510 -3.175 1.00 0.00 C ATOM 145 O VAL A 12 -0.359 5.947 -4.257 1.00 0.00 O ATOM 146 CB VAL A 12 0.550 3.106 -3.856 1.00 0.00 C ATOM 147 CG1 VAL A 12 2.020 3.485 -4.047 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.412 1.638 -3.446 1.00 0.00 C ATOM 0 H VAL A 12 -1.993 3.492 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 12 0.376 3.857 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 12 0.043 3.236 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.476 2.816 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.087 4.512 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.545 3.397 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.900 1.006 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.881 1.486 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.644 1.375 -3.384 1.00 0.00 H new ATOM 158 N PHE A 13 0.599 6.243 -2.230 1.00 0.00 N ATOM 159 CA PHE A 13 0.811 7.669 -2.415 1.00 0.00 C ATOM 160 C PHE A 13 2.067 7.933 -3.248 1.00 0.00 C ATOM 161 O PHE A 13 3.126 7.372 -2.975 1.00 0.00 O ATOM 162 CB PHE A 13 0.998 8.277 -1.024 1.00 0.00 C ATOM 163 CG PHE A 13 -0.308 8.484 -0.254 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.343 7.619 -0.427 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.433 9.532 0.603 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.555 7.811 0.288 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.645 9.724 1.318 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.681 8.859 1.145 1.00 0.00 C ATOM 0 H PHE A 13 0.920 5.877 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.038 8.107 -2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.653 7.629 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.505 9.237 -1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.243 6.786 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.389 10.219 0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.377 7.124 0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.744 10.556 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.603 9.005 1.688 1.00 0.00 H new ATOM 178 N ILE A 14 1.906 8.789 -4.247 1.00 0.00 N ATOM 179 CA ILE A 14 3.014 9.135 -5.121 1.00 0.00 C ATOM 180 C ILE A 14 3.011 10.645 -5.368 1.00 0.00 C ATOM 181 O ILE A 14 1.956 11.277 -5.361 1.00 0.00 O ATOM 182 CB ILE A 14 2.964 8.302 -6.404 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.717 8.635 -7.226 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.063 6.808 -6.092 1.00 0.00 C ATOM 185 CD1 ILE A 14 2.096 9.261 -8.569 1.00 0.00 C ATOM 0 H ILE A 14 1.025 9.253 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 14 3.964 8.891 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 14 3.830 8.561 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.136 7.729 -7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.082 9.322 -6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.025 6.239 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.004 6.605 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.231 6.514 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.191 9.488 -9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.656 10.180 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.711 8.562 -9.136 1.00 0.00 H new ATOM 197 N ALA A 15 4.204 11.180 -5.579 1.00 0.00 N ATOM 198 CA ALA A 15 4.353 12.604 -5.827 1.00 0.00 C ATOM 199 C ALA A 15 4.938 12.815 -7.225 1.00 0.00 C ATOM 200 O ALA A 15 6.155 12.853 -7.394 1.00 0.00 O ATOM 201 CB ALA A 15 5.222 13.225 -4.732 1.00 0.00 C ATOM 0 H ALA A 15 5.077 10.653 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 15 3.384 13.102 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.334 14.293 -4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.749 13.073 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.204 12.752 -4.735 1.00 0.00 H new ATOM 207 N SER A 16 4.042 12.948 -8.192 1.00 0.00 N ATOM 208 CA SER A 16 4.454 13.155 -9.571 1.00 0.00 C ATOM 209 C SER A 16 5.109 14.529 -9.720 1.00 0.00 C ATOM 210 O SER A 16 4.550 15.421 -10.356 1.00 0.00 O ATOM 211 CB SER A 16 3.265 13.027 -10.526 1.00 0.00 C ATOM 212 OG SER A 16 3.672 13.059 -11.891 1.00 0.00 O ATOM 0 H SER A 16 3.033 12.917 -8.048 1.00 0.00 H new ATOM 0 HA SER A 16 5.179 12.384 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.738 12.094 -10.326 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.560 13.837 -10.339 1.00 0.00 H new ATOM 0 HG SER A 16 2.885 12.973 -12.469 1.00 0.00 H new ATOM 218 N SER A 17 6.285 14.657 -9.124 1.00 0.00 N ATOM 219 CA SER A 17 7.022 15.908 -9.183 1.00 0.00 C ATOM 220 C SER A 17 8.377 15.749 -8.490 1.00 0.00 C ATOM 221 O SER A 17 9.383 16.282 -8.957 1.00 0.00 O ATOM 222 CB SER A 17 6.228 17.046 -8.540 1.00 0.00 C ATOM 223 OG SER A 17 6.646 18.323 -9.016 1.00 0.00 O ATOM 0 H SER A 17 6.746 13.915 -8.598 1.00 0.00 H new ATOM 0 HA SER A 17 7.183 16.161 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.167 16.911 -8.749 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.348 17.005 -7.457 1.00 0.00 H new ATOM 0 HG SER A 17 6.114 19.023 -8.583 1.00 0.00 H new ATOM 229 N SER A 18 8.360 15.015 -7.387 1.00 0.00 N ATOM 230 CA SER A 18 9.575 14.780 -6.625 1.00 0.00 C ATOM 231 C SER A 18 10.755 14.567 -7.575 1.00 0.00 C ATOM 232 O SER A 18 10.864 13.520 -8.211 1.00 0.00 O ATOM 233 CB SER A 18 9.418 13.575 -5.695 1.00 0.00 C ATOM 234 OG SER A 18 9.472 12.342 -6.407 1.00 0.00 O ATOM 0 H SER A 18 7.524 14.575 -7.003 1.00 0.00 H new ATOM 0 HA SER A 18 9.767 15.658 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.205 13.593 -4.941 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.468 13.647 -5.165 1.00 0.00 H new ATOM 0 HG SER A 18 9.690 12.516 -7.346 1.00 0.00 H new ATOM 240 N GLY A 19 11.610 15.578 -7.641 1.00 0.00 N ATOM 241 CA GLY A 19 12.778 15.514 -8.502 1.00 0.00 C ATOM 242 C GLY A 19 13.517 14.185 -8.328 1.00 0.00 C ATOM 243 O GLY A 19 14.183 13.716 -9.249 1.00 0.00 O ATOM 0 H GLY A 19 11.517 16.445 -7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.474 15.631 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.450 16.341 -8.271 1.00 0.00 H new ATOM 247 N PHE A 20 13.374 13.617 -7.140 1.00 0.00 N ATOM 248 CA PHE A 20 14.019 12.352 -6.832 1.00 0.00 C ATOM 249 C PHE A 20 13.503 11.238 -7.745 1.00 0.00 C ATOM 250 O PHE A 20 12.636 10.460 -7.352 1.00 0.00 O ATOM 251 CB PHE A 20 13.668 12.011 -5.383 1.00 0.00 C ATOM 252 CG PHE A 20 14.554 12.707 -4.348 1.00 0.00 C ATOM 253 CD1 PHE A 20 14.871 14.021 -4.498 1.00 0.00 C ATOM 254 CD2 PHE A 20 15.023 12.012 -3.277 1.00 0.00 C ATOM 255 CE1 PHE A 20 15.693 14.667 -3.537 1.00 0.00 C ATOM 256 CE2 PHE A 20 15.845 12.658 -2.316 1.00 0.00 C ATOM 257 CZ PHE A 20 16.163 13.972 -2.467 1.00 0.00 C ATOM 0 H PHE A 20 12.821 14.010 -6.379 1.00 0.00 H new ATOM 0 HA PHE A 20 15.096 12.438 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.629 12.283 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.745 10.932 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.498 14.573 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.770 10.969 -3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.945 15.710 -3.656 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.218 12.106 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.789 14.463 -1.737 1.00 0.00 H new ATOM 267 N VAL A 21 14.059 11.197 -8.947 1.00 0.00 N ATOM 268 CA VAL A 21 13.666 10.191 -9.919 1.00 0.00 C ATOM 269 C VAL A 21 13.578 8.828 -9.229 1.00 0.00 C ATOM 270 O VAL A 21 12.681 8.038 -9.520 1.00 0.00 O ATOM 271 CB VAL A 21 14.636 10.199 -11.103 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.065 9.900 -10.643 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.190 9.214 -12.184 1.00 0.00 C ATOM 0 H VAL A 21 14.778 11.844 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 21 12.679 10.416 -10.323 1.00 0.00 H new ATOM 0 HB VAL A 21 14.626 11.199 -11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.734 9.912 -11.503 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.382 10.657 -9.926 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.097 8.918 -10.171 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.897 9.240 -13.014 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.156 8.207 -11.767 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.199 9.492 -12.543 1.00 0.00 H new ATOM 283 N ALA A 22 14.520 8.594 -8.328 1.00 0.00 N ATOM 284 CA ALA A 22 14.560 7.341 -7.594 1.00 0.00 C ATOM 285 C ALA A 22 13.194 7.086 -6.954 1.00 0.00 C ATOM 286 O ALA A 22 12.641 5.994 -7.075 1.00 0.00 O ATOM 287 CB ALA A 22 15.688 7.389 -6.562 1.00 0.00 C ATOM 0 H ALA A 22 15.262 9.252 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 22 14.769 6.509 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.718 6.449 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.640 7.542 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.511 8.210 -5.868 1.00 0.00 H new ATOM 293 N ILE A 23 12.689 8.113 -6.286 1.00 0.00 N ATOM 294 CA ILE A 23 11.398 8.015 -5.626 1.00 0.00 C ATOM 295 C ILE A 23 10.325 7.672 -6.662 1.00 0.00 C ATOM 296 O ILE A 23 9.403 6.910 -6.376 1.00 0.00 O ATOM 297 CB ILE A 23 11.102 9.290 -4.835 1.00 0.00 C ATOM 298 CG1 ILE A 23 12.102 9.470 -3.690 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.655 9.305 -4.338 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.897 10.814 -2.989 1.00 0.00 C ATOM 0 H ILE A 23 13.151 9.017 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 23 11.405 7.208 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 23 11.221 10.142 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.986 8.659 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.119 9.409 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.472 10.223 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.977 9.258 -5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.484 8.445 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.620 10.916 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.037 11.623 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.887 10.861 -2.581 1.00 0.00 H new ATOM 312 N LYS A 24 10.482 8.250 -7.844 1.00 0.00 N ATOM 313 CA LYS A 24 9.539 8.015 -8.923 1.00 0.00 C ATOM 314 C LYS A 24 9.733 6.597 -9.465 1.00 0.00 C ATOM 315 O LYS A 24 8.780 5.966 -9.918 1.00 0.00 O ATOM 316 CB LYS A 24 9.665 9.103 -9.991 1.00 0.00 C ATOM 317 CG LYS A 24 9.778 8.490 -11.389 1.00 0.00 C ATOM 318 CD LYS A 24 9.422 9.515 -12.467 1.00 0.00 C ATOM 319 CE LYS A 24 10.596 9.736 -13.422 1.00 0.00 C ATOM 320 NZ LYS A 24 10.240 10.729 -14.461 1.00 0.00 N ATOM 0 H LYS A 24 11.249 8.881 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 24 8.515 8.079 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.798 9.762 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.542 9.717 -9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.793 8.126 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.114 7.629 -11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.552 9.172 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.147 10.460 -11.999 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.466 10.081 -12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.873 8.792 -13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.048 10.867 -15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.423 10.385 -15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.998 11.634 -14.008 1.00 0.00 H new ATOM 334 N LYS A 25 10.974 6.138 -9.399 1.00 0.00 N ATOM 335 CA LYS A 25 11.305 4.806 -9.876 1.00 0.00 C ATOM 336 C LYS A 25 10.695 3.765 -8.936 1.00 0.00 C ATOM 337 O LYS A 25 10.090 2.794 -9.387 1.00 0.00 O ATOM 338 CB LYS A 25 12.818 4.662 -10.055 1.00 0.00 C ATOM 339 CG LYS A 25 13.321 5.545 -11.199 1.00 0.00 C ATOM 340 CD LYS A 25 13.626 4.710 -12.444 1.00 0.00 C ATOM 341 CE LYS A 25 14.613 5.434 -13.361 1.00 0.00 C ATOM 342 NZ LYS A 25 13.984 5.731 -14.667 1.00 0.00 N ATOM 0 H LYS A 25 11.762 6.665 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 25 10.873 4.636 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.325 4.936 -9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.066 3.620 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.571 6.299 -11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.219 6.077 -10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.040 3.746 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.702 4.507 -12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.943 6.360 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.500 4.818 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.667 6.223 -15.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.690 4.843 -15.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.151 6.337 -14.522 1.00 0.00 H new ATOM 356 N LYS A 26 10.876 4.003 -7.645 1.00 0.00 N ATOM 357 CA LYS A 26 10.350 3.098 -6.636 1.00 0.00 C ATOM 358 C LYS A 26 8.829 3.016 -6.774 1.00 0.00 C ATOM 359 O LYS A 26 8.262 1.924 -6.788 1.00 0.00 O ATOM 360 CB LYS A 26 10.820 3.519 -5.242 1.00 0.00 C ATOM 361 CG LYS A 26 12.347 3.508 -5.152 1.00 0.00 C ATOM 362 CD LYS A 26 12.832 4.332 -3.957 1.00 0.00 C ATOM 363 CE LYS A 26 14.278 3.984 -3.601 1.00 0.00 C ATOM 364 NZ LYS A 26 14.549 4.284 -2.177 1.00 0.00 N ATOM 0 H LYS A 26 11.379 4.809 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 26 10.738 2.091 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.446 4.517 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.403 2.844 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.702 2.482 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.772 3.910 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.757 5.394 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.188 4.147 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.463 2.928 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.961 4.550 -4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.576 4.287 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.157 5.217 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.105 3.558 -1.579 1.00 0.00 H new ATOM 378 N GLN A 27 8.211 4.184 -6.872 1.00 0.00 N ATOM 379 CA GLN A 27 6.767 4.258 -7.008 1.00 0.00 C ATOM 380 C GLN A 27 6.276 3.224 -8.023 1.00 0.00 C ATOM 381 O GLN A 27 5.198 2.654 -7.863 1.00 0.00 O ATOM 382 CB GLN A 27 6.325 5.668 -7.403 1.00 0.00 C ATOM 383 CG GLN A 27 6.421 6.626 -6.214 1.00 0.00 C ATOM 384 CD GLN A 27 6.852 8.022 -6.669 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.617 8.708 -6.011 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.321 8.402 -7.827 1.00 0.00 N ATOM 0 H GLN A 27 8.685 5.087 -6.860 1.00 0.00 H new ATOM 0 HA GLN A 27 6.318 4.030 -6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.948 6.033 -8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.300 5.642 -7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.456 6.685 -5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.136 6.239 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.687 7.778 -8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.547 9.317 -8.216 1.00 0.00 H new ATOM 395 N GLN A 28 7.090 3.014 -9.047 1.00 0.00 N ATOM 396 CA GLN A 28 6.752 2.059 -10.089 1.00 0.00 C ATOM 397 C GLN A 28 6.835 0.631 -9.547 1.00 0.00 C ATOM 398 O GLN A 28 5.821 -0.058 -9.443 1.00 0.00 O ATOM 399 CB GLN A 28 7.658 2.236 -11.309 1.00 0.00 C ATOM 400 CG GLN A 28 7.582 3.667 -11.846 1.00 0.00 C ATOM 401 CD GLN A 28 8.780 3.980 -12.743 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.714 3.205 -12.870 1.00 0.00 O ATOM 403 NE2 GLN A 28 8.703 5.157 -13.358 1.00 0.00 N ATOM 0 H GLN A 28 7.983 3.489 -9.177 1.00 0.00 H new ATOM 0 HA GLN A 28 5.727 2.246 -10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.687 1.999 -11.039 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.364 1.535 -12.090 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.658 3.800 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.553 4.370 -11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.893 5.759 -13.208 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.454 5.458 -13.979 1.00 0.00 H new ATOM 412 N ASP A 29 8.053 0.228 -9.215 1.00 0.00 N ATOM 413 CA ASP A 29 8.281 -1.106 -8.686 1.00 0.00 C ATOM 414 C ASP A 29 7.136 -1.480 -7.744 1.00 0.00 C ATOM 415 O ASP A 29 6.787 -2.653 -7.619 1.00 0.00 O ATOM 416 CB ASP A 29 9.587 -1.167 -7.891 1.00 0.00 C ATOM 417 CG ASP A 29 10.550 -2.279 -8.312 1.00 0.00 C ATOM 418 OD1 ASP A 29 10.871 -2.325 -9.519 1.00 0.00 O ATOM 419 OD2 ASP A 29 10.943 -3.059 -7.418 1.00 0.00 O ATOM 0 H ASP A 29 8.892 0.802 -9.302 1.00 0.00 H new ATOM 0 HA ASP A 29 8.338 -1.797 -9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.098 -0.209 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.347 -1.296 -6.836 1.00 0.00 H new ATOM 424 N VAL A 30 6.581 -0.460 -7.105 1.00 0.00 N ATOM 425 CA VAL A 30 5.482 -0.667 -6.177 1.00 0.00 C ATOM 426 C VAL A 30 4.232 -1.079 -6.958 1.00 0.00 C ATOM 427 O VAL A 30 3.827 -2.240 -6.921 1.00 0.00 O ATOM 428 CB VAL A 30 5.270 0.589 -5.329 1.00 0.00 C ATOM 429 CG1 VAL A 30 4.022 0.455 -4.454 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.506 0.891 -4.480 1.00 0.00 C ATOM 0 H VAL A 30 6.872 0.512 -7.212 1.00 0.00 H new ATOM 0 HA VAL A 30 5.714 -1.476 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 30 5.115 1.429 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.894 1.361 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.147 0.309 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.134 -0.401 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.330 1.788 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.705 0.050 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.365 1.050 -5.132 1.00 0.00 H new ATOM 440 N VAL A 31 3.656 -0.105 -7.647 1.00 0.00 N ATOM 441 CA VAL A 31 2.461 -0.352 -8.436 1.00 0.00 C ATOM 442 C VAL A 31 2.739 -1.474 -9.438 1.00 0.00 C ATOM 443 O VAL A 31 1.969 -2.428 -9.537 1.00 0.00 O ATOM 444 CB VAL A 31 1.997 0.944 -9.103 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.150 2.135 -8.154 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.750 1.187 -10.412 1.00 0.00 C ATOM 0 H VAL A 31 3.995 0.857 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 31 1.643 -0.683 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 31 0.938 0.838 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.813 3.044 -8.653 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.549 1.968 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.197 2.243 -7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.401 2.115 -10.866 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.818 1.262 -10.209 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.568 0.358 -11.096 1.00 0.00 H new ATOM 456 N ARG A 32 3.843 -1.322 -10.156 1.00 0.00 N ATOM 457 CA ARG A 32 4.232 -2.311 -11.147 1.00 0.00 C ATOM 458 C ARG A 32 3.915 -3.721 -10.644 1.00 0.00 C ATOM 459 O ARG A 32 3.262 -4.499 -11.337 1.00 0.00 O ATOM 460 CB ARG A 32 5.726 -2.214 -11.464 1.00 0.00 C ATOM 461 CG ARG A 32 6.044 -0.919 -12.214 1.00 0.00 C ATOM 462 CD ARG A 32 6.150 -1.169 -13.720 1.00 0.00 C ATOM 463 NE ARG A 32 6.587 0.066 -14.408 1.00 0.00 N ATOM 464 CZ ARG A 32 6.485 0.266 -15.729 1.00 0.00 C ATOM 465 NH1 ARG A 32 5.961 -0.686 -16.512 1.00 0.00 N ATOM 466 NH2 ARG A 32 6.908 1.419 -16.267 1.00 0.00 N ATOM 0 H ARG A 32 4.480 -0.530 -10.071 1.00 0.00 H new ATOM 0 HA ARG A 32 3.665 -2.110 -12.056 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.301 -2.253 -10.539 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.030 -3.071 -12.065 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.266 -0.181 -12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.980 -0.501 -11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.859 -1.974 -13.914 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.186 -1.492 -14.112 1.00 0.00 H new ATOM 0 HE ARG A 32 6.991 0.812 -13.841 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.640 -1.563 -16.103 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.883 -0.534 -17.518 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.307 2.144 -15.671 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.830 1.571 -17.273 1.00 0.00 H new ATOM 480 N PHE A 33 4.393 -4.007 -9.442 1.00 0.00 N ATOM 481 CA PHE A 33 4.168 -5.309 -8.838 1.00 0.00 C ATOM 482 C PHE A 33 2.673 -5.587 -8.673 1.00 0.00 C ATOM 483 O PHE A 33 2.203 -6.681 -8.981 1.00 0.00 O ATOM 484 CB PHE A 33 4.825 -5.280 -7.456 1.00 0.00 C ATOM 485 CG PHE A 33 4.854 -6.639 -6.753 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.715 -7.150 -6.213 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.019 -7.335 -6.668 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.743 -8.411 -5.561 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.047 -8.596 -6.015 1.00 0.00 C ATOM 490 CZ PHE A 33 4.908 -9.107 -5.475 1.00 0.00 C ATOM 0 H PHE A 33 4.935 -3.359 -8.870 1.00 0.00 H new ATOM 0 HA PHE A 33 4.587 -6.090 -9.472 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.846 -4.913 -7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.292 -4.568 -6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.790 -6.597 -6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.923 -6.929 -7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.839 -8.818 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.972 -9.149 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.929 -10.066 -4.978 1.00 0.00 H new ATOM 500 N LEU A 34 1.966 -4.577 -8.188 1.00 0.00 N ATOM 501 CA LEU A 34 0.533 -4.699 -7.979 1.00 0.00 C ATOM 502 C LEU A 34 -0.160 -4.899 -9.328 1.00 0.00 C ATOM 503 O LEU A 34 -0.997 -5.789 -9.474 1.00 0.00 O ATOM 504 CB LEU A 34 0.003 -3.501 -7.188 1.00 0.00 C ATOM 505 CG LEU A 34 0.773 -3.144 -5.915 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.554 -1.679 -5.534 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.410 -4.094 -4.771 1.00 0.00 C ATOM 0 H LEU A 34 2.359 -3.671 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 34 0.310 -5.577 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.001 -2.630 -7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.034 -3.699 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 34 1.838 -3.269 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.112 -1.452 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.901 -1.037 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.508 -1.503 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.971 -3.819 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.658 -4.024 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.658 -5.117 -5.055 1.00 0.00 H new ATOM 519 N GLU A 35 0.215 -4.058 -10.281 1.00 0.00 N ATOM 520 CA GLU A 35 -0.360 -4.132 -11.613 1.00 0.00 C ATOM 521 C GLU A 35 -0.077 -5.500 -12.238 1.00 0.00 C ATOM 522 O GLU A 35 -0.986 -6.152 -12.750 1.00 0.00 O ATOM 523 CB GLU A 35 0.167 -3.004 -12.502 1.00 0.00 C ATOM 524 CG GLU A 35 -0.462 -1.663 -12.117 1.00 0.00 C ATOM 525 CD GLU A 35 -1.934 -1.609 -12.534 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.433 -2.660 -12.990 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.525 -0.518 -12.387 1.00 0.00 O ATOM 0 H GLU A 35 0.910 -3.322 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.440 -4.009 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.251 -2.941 -12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.053 -3.226 -13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.379 -1.514 -11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.085 -0.850 -12.594 1.00 0.00 H new ATOM 534 N ALA A 36 1.186 -5.894 -12.176 1.00 0.00 N ATOM 535 CA ALA A 36 1.600 -7.172 -12.729 1.00 0.00 C ATOM 536 C ALA A 36 0.900 -8.301 -11.971 1.00 0.00 C ATOM 537 O ALA A 36 0.723 -9.395 -12.504 1.00 0.00 O ATOM 538 CB ALA A 36 3.125 -7.285 -12.667 1.00 0.00 C ATOM 0 H ALA A 36 1.937 -5.350 -11.751 1.00 0.00 H new ATOM 0 HA ALA A 36 1.310 -7.249 -13.777 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.436 -8.244 -13.082 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.574 -6.477 -13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.453 -7.215 -11.630 1.00 0.00 H new ATOM 544 N ASN A 37 0.522 -7.998 -10.738 1.00 0.00 N ATOM 545 CA ASN A 37 -0.155 -8.974 -9.901 1.00 0.00 C ATOM 546 C ASN A 37 -1.637 -8.608 -9.794 1.00 0.00 C ATOM 547 O ASN A 37 -2.354 -9.148 -8.953 1.00 0.00 O ATOM 548 CB ASN A 37 0.432 -8.989 -8.488 1.00 0.00 C ATOM 549 CG ASN A 37 1.729 -9.798 -8.441 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.731 -11.009 -8.293 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.830 -9.064 -8.575 1.00 0.00 N ATOM 0 H ASN A 37 0.672 -7.090 -10.298 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.025 -9.956 -10.356 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.624 -7.968 -8.160 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.292 -9.416 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.746 -9.511 -8.557 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.758 -8.054 -8.696 1.00 0.00 H new ATOM 558 N LYS A 38 -2.051 -7.692 -10.657 1.00 0.00 N ATOM 559 CA LYS A 38 -3.434 -7.248 -10.670 1.00 0.00 C ATOM 560 C LYS A 38 -3.940 -7.126 -9.231 1.00 0.00 C ATOM 561 O LYS A 38 -4.995 -7.661 -8.893 1.00 0.00 O ATOM 562 CB LYS A 38 -4.286 -8.170 -11.545 1.00 0.00 C ATOM 563 CG LYS A 38 -3.631 -8.388 -12.911 1.00 0.00 C ATOM 564 CD LYS A 38 -2.813 -9.681 -12.927 1.00 0.00 C ATOM 565 CE LYS A 38 -3.435 -10.710 -13.873 1.00 0.00 C ATOM 566 NZ LYS A 38 -4.098 -11.787 -13.104 1.00 0.00 N ATOM 0 H LYS A 38 -1.453 -7.245 -11.352 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.511 -6.259 -11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.421 -9.129 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.278 -7.737 -11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.399 -8.430 -13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.986 -7.542 -13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.791 -9.465 -13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.758 -10.094 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.159 -10.222 -14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.664 -11.135 -14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.515 -12.477 -13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.398 -12.263 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.847 -11.378 -12.510 1.00 0.00 H new ATOM 580 N ILE A 39 -3.164 -6.420 -8.422 1.00 0.00 N ATOM 581 CA ILE A 39 -3.520 -6.222 -7.028 1.00 0.00 C ATOM 582 C ILE A 39 -4.269 -4.895 -6.880 1.00 0.00 C ATOM 583 O ILE A 39 -4.051 -3.966 -7.656 1.00 0.00 O ATOM 584 CB ILE A 39 -2.280 -6.330 -6.137 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.773 -7.772 -6.077 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.554 -5.760 -4.744 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.439 -7.854 -5.332 1.00 0.00 C ATOM 0 H ILE A 39 -2.290 -5.978 -8.706 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.195 -7.009 -6.693 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.487 -5.728 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.511 -8.400 -5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.654 -8.162 -7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.657 -5.849 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.832 -4.710 -4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.368 -6.315 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.101 -8.890 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.303 -7.244 -5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.568 -7.487 -4.314 1.00 0.00 H new ATOM 599 N GLU A 40 -5.135 -4.850 -5.879 1.00 0.00 N ATOM 600 CA GLU A 40 -5.917 -3.653 -5.620 1.00 0.00 C ATOM 601 C GLU A 40 -5.026 -2.551 -5.044 1.00 0.00 C ATOM 602 O GLU A 40 -4.277 -2.785 -4.096 1.00 0.00 O ATOM 603 CB GLU A 40 -7.089 -3.955 -4.685 1.00 0.00 C ATOM 604 CG GLU A 40 -8.397 -4.083 -5.469 1.00 0.00 C ATOM 605 CD GLU A 40 -9.528 -4.589 -4.570 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.202 -5.300 -3.595 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.692 -4.254 -4.879 1.00 0.00 O ATOM 0 H GLU A 40 -5.313 -5.623 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.331 -3.302 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.895 -4.879 -4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.181 -3.161 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.668 -3.115 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.258 -4.768 -6.305 1.00 0.00 H new ATOM 614 N PHE A 41 -5.136 -1.373 -5.640 1.00 0.00 N ATOM 615 CA PHE A 41 -4.349 -0.234 -5.197 1.00 0.00 C ATOM 616 C PHE A 41 -4.681 1.014 -6.019 1.00 0.00 C ATOM 617 O PHE A 41 -5.423 0.938 -6.997 1.00 0.00 O ATOM 618 CB PHE A 41 -2.878 -0.596 -5.413 1.00 0.00 C ATOM 619 CG PHE A 41 -2.383 -0.364 -6.842 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.031 0.886 -7.246 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.295 -1.409 -7.708 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.571 1.100 -8.572 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.836 -1.194 -9.035 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.483 0.056 -9.438 1.00 0.00 C ATOM 0 H PHE A 41 -5.758 -1.182 -6.426 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.565 -0.016 -4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.266 -0.010 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.731 -1.645 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.101 1.716 -6.558 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.574 -2.402 -7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.291 2.093 -8.893 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.767 -2.023 -9.724 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.133 0.219 -10.446 1.00 0.00 H new ATOM 634 N GLU A 42 -4.115 2.133 -5.590 1.00 0.00 N ATOM 635 CA GLU A 42 -4.341 3.395 -6.274 1.00 0.00 C ATOM 636 C GLU A 42 -3.155 4.337 -6.055 1.00 0.00 C ATOM 637 O GLU A 42 -2.562 4.354 -4.977 1.00 0.00 O ATOM 638 CB GLU A 42 -5.648 4.042 -5.812 1.00 0.00 C ATOM 639 CG GLU A 42 -5.631 4.295 -4.303 1.00 0.00 C ATOM 640 CD GLU A 42 -6.821 5.159 -3.879 1.00 0.00 C ATOM 641 OE1 GLU A 42 -7.950 4.625 -3.912 1.00 0.00 O ATOM 642 OE2 GLU A 42 -6.573 6.334 -3.530 1.00 0.00 O ATOM 0 H GLU A 42 -3.501 2.192 -4.778 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.430 3.197 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.799 4.983 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.488 3.396 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.659 3.344 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.700 4.789 -4.024 1.00 0.00 H new ATOM 649 N GLU A 43 -2.845 5.098 -7.094 1.00 0.00 N ATOM 650 CA GLU A 43 -1.741 6.040 -7.029 1.00 0.00 C ATOM 651 C GLU A 43 -2.231 7.396 -6.517 1.00 0.00 C ATOM 652 O GLU A 43 -2.575 8.274 -7.307 1.00 0.00 O ATOM 653 CB GLU A 43 -1.060 6.182 -8.392 1.00 0.00 C ATOM 654 CG GLU A 43 -0.157 4.980 -8.681 1.00 0.00 C ATOM 655 CD GLU A 43 -0.585 4.271 -9.967 1.00 0.00 C ATOM 656 OE1 GLU A 43 -1.812 4.142 -10.163 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.326 3.872 -10.725 1.00 0.00 O ATOM 0 H GLU A 43 -3.339 5.081 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.000 5.654 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.815 6.270 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.470 7.098 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.878 5.311 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.197 4.281 -7.845 1.00 0.00 H new ATOM 664 N VAL A 44 -2.246 7.525 -5.199 1.00 0.00 N ATOM 665 CA VAL A 44 -2.688 8.760 -4.572 1.00 0.00 C ATOM 666 C VAL A 44 -1.652 9.856 -4.830 1.00 0.00 C ATOM 667 O VAL A 44 -0.771 10.089 -4.003 1.00 0.00 O ATOM 668 CB VAL A 44 -2.953 8.525 -3.084 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.310 9.835 -2.378 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.047 7.476 -2.880 1.00 0.00 C ATOM 0 H VAL A 44 -1.959 6.795 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.630 9.094 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.036 8.142 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.494 9.641 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.484 10.540 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.207 10.259 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.215 7.328 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.970 7.817 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.737 6.534 -3.332 1.00 0.00 H new ATOM 680 N ASP A 45 -1.792 10.499 -5.979 1.00 0.00 N ATOM 681 CA ASP A 45 -0.879 11.565 -6.356 1.00 0.00 C ATOM 682 C ASP A 45 -0.872 12.635 -5.262 1.00 0.00 C ATOM 683 O ASP A 45 -1.687 13.556 -5.284 1.00 0.00 O ATOM 684 CB ASP A 45 -1.317 12.229 -7.663 1.00 0.00 C ATOM 685 CG ASP A 45 -0.271 13.141 -8.308 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.671 13.526 -7.582 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.437 13.431 -9.512 1.00 0.00 O ATOM 0 H ASP A 45 -2.524 10.303 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 45 0.112 11.130 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.587 11.450 -8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.218 12.813 -7.472 1.00 0.00 H new ATOM 692 N ILE A 46 0.058 12.478 -4.332 1.00 0.00 N ATOM 693 CA ILE A 46 0.182 13.418 -3.231 1.00 0.00 C ATOM 694 C ILE A 46 0.642 14.773 -3.774 1.00 0.00 C ATOM 695 O ILE A 46 0.535 15.789 -3.088 1.00 0.00 O ATOM 696 CB ILE A 46 1.094 12.851 -2.142 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.542 12.764 -2.628 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.576 11.501 -1.641 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.479 12.350 -1.492 1.00 0.00 C ATOM 0 H ILE A 46 0.733 11.714 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.785 13.576 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 46 1.080 13.537 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.613 12.044 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.854 13.729 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.243 11.120 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.425 11.626 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.541 10.794 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.502 12.296 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.424 13.085 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.180 11.374 -1.111 1.00 0.00 H new ATOM 711 N THR A 47 1.144 14.744 -5.000 1.00 0.00 N ATOM 712 CA THR A 47 1.620 15.958 -5.642 1.00 0.00 C ATOM 713 C THR A 47 0.449 16.741 -6.237 1.00 0.00 C ATOM 714 O THR A 47 0.492 17.968 -6.312 1.00 0.00 O ATOM 715 CB THR A 47 2.675 15.562 -6.677 1.00 0.00 C ATOM 716 OG1 THR A 47 3.915 15.844 -6.035 1.00 0.00 O ATOM 717 CG2 THR A 47 2.670 16.482 -7.899 1.00 0.00 C ATOM 0 H THR A 47 1.231 13.900 -5.566 1.00 0.00 H new ATOM 0 HA THR A 47 2.086 16.630 -4.922 1.00 0.00 H new ATOM 0 HB THR A 47 2.502 14.534 -6.996 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.654 15.615 -6.636 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.437 16.157 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.694 16.440 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.876 17.505 -7.585 1.00 0.00 H new ATOM 725 N MET A 48 -0.571 16.000 -6.645 1.00 0.00 N ATOM 726 CA MET A 48 -1.752 16.610 -7.231 1.00 0.00 C ATOM 727 C MET A 48 -2.882 16.716 -6.204 1.00 0.00 C ATOM 728 O MET A 48 -3.491 17.774 -6.053 1.00 0.00 O ATOM 729 CB MET A 48 -2.222 15.773 -8.422 1.00 0.00 C ATOM 730 CG MET A 48 -1.343 16.023 -9.650 1.00 0.00 C ATOM 731 SD MET A 48 -1.492 17.724 -10.170 1.00 0.00 S ATOM 732 CE MET A 48 0.139 17.986 -10.845 1.00 0.00 C ATOM 0 H MET A 48 -0.604 14.983 -6.581 1.00 0.00 H new ATOM 0 HA MET A 48 -1.492 17.615 -7.562 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.195 14.715 -8.161 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.258 16.017 -8.656 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.303 15.795 -9.416 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.640 15.359 -10.461 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.207 18.996 -11.250 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.883 17.859 -10.058 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.324 17.263 -11.639 1.00 0.00 H new ATOM 742 N SER A 49 -3.127 15.605 -5.525 1.00 0.00 N ATOM 743 CA SER A 49 -4.172 15.560 -4.517 1.00 0.00 C ATOM 744 C SER A 49 -3.864 16.558 -3.399 1.00 0.00 C ATOM 745 O SER A 49 -4.761 17.242 -2.909 1.00 0.00 O ATOM 746 CB SER A 49 -4.323 14.149 -3.943 1.00 0.00 C ATOM 747 OG SER A 49 -5.686 13.738 -3.889 1.00 0.00 O ATOM 0 H SER A 49 -2.620 14.729 -5.653 1.00 0.00 H new ATOM 0 HA SER A 49 -5.115 15.834 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.756 13.446 -4.554 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.895 14.117 -2.941 1.00 0.00 H new ATOM 0 HG SER A 49 -5.731 12.761 -3.831 1.00 0.00 H new ATOM 753 N GLU A 50 -2.593 16.609 -3.028 1.00 0.00 N ATOM 754 CA GLU A 50 -2.156 17.512 -1.977 1.00 0.00 C ATOM 755 C GLU A 50 -2.757 17.093 -0.633 1.00 0.00 C ATOM 756 O GLU A 50 -2.051 16.583 0.235 1.00 0.00 O ATOM 757 CB GLU A 50 -2.519 18.960 -2.312 1.00 0.00 C ATOM 758 CG GLU A 50 -1.665 19.940 -1.504 1.00 0.00 C ATOM 759 CD GLU A 50 -1.159 21.082 -2.387 1.00 0.00 C ATOM 760 OE1 GLU A 50 -1.967 21.998 -2.649 1.00 0.00 O ATOM 761 OE2 GLU A 50 0.026 21.013 -2.781 1.00 0.00 O ATOM 0 H GLU A 50 -1.852 16.040 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.070 17.452 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.374 19.138 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.574 19.132 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.252 20.345 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.818 19.413 -1.064 1.00 0.00 H new ATOM 768 N GLU A 51 -4.055 17.324 -0.504 1.00 0.00 N ATOM 769 CA GLU A 51 -4.759 16.977 0.719 1.00 0.00 C ATOM 770 C GLU A 51 -4.267 15.629 1.250 1.00 0.00 C ATOM 771 O GLU A 51 -3.997 15.489 2.442 1.00 0.00 O ATOM 772 CB GLU A 51 -6.273 16.958 0.494 1.00 0.00 C ATOM 773 CG GLU A 51 -7.026 17.073 1.821 1.00 0.00 C ATOM 774 CD GLU A 51 -6.902 15.783 2.634 1.00 0.00 C ATOM 775 OE1 GLU A 51 -7.071 14.707 2.021 1.00 0.00 O ATOM 776 OE2 GLU A 51 -6.641 15.902 3.851 1.00 0.00 O ATOM 0 H GLU A 51 -4.638 17.747 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.546 17.740 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.557 17.781 -0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.558 16.035 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.630 17.910 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.077 17.287 1.629 1.00 0.00 H new ATOM 783 N GLN A 52 -4.166 14.672 0.340 1.00 0.00 N ATOM 784 CA GLN A 52 -3.712 13.340 0.702 1.00 0.00 C ATOM 785 C GLN A 52 -2.281 13.396 1.242 1.00 0.00 C ATOM 786 O GLN A 52 -1.961 12.741 2.233 1.00 0.00 O ATOM 787 CB GLN A 52 -3.812 12.384 -0.488 1.00 0.00 C ATOM 788 CG GLN A 52 -5.266 12.211 -0.931 1.00 0.00 C ATOM 789 CD GLN A 52 -6.026 11.292 0.027 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.721 10.121 0.179 1.00 0.00 O ATOM 791 NE2 GLN A 52 -7.031 11.888 0.664 1.00 0.00 N ATOM 0 H GLN A 52 -4.391 14.792 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.362 12.957 1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.218 12.767 -1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.393 11.415 -0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.755 13.184 -0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.296 11.796 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.233 12.873 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.600 11.360 1.326 1.00 0.00 H new ATOM 800 N ARG A 53 -1.458 14.185 0.567 1.00 0.00 N ATOM 801 CA ARG A 53 -0.069 14.335 0.966 1.00 0.00 C ATOM 802 C ARG A 53 0.023 14.636 2.463 1.00 0.00 C ATOM 803 O ARG A 53 0.563 13.838 3.228 1.00 0.00 O ATOM 804 CB ARG A 53 0.610 15.461 0.184 1.00 0.00 C ATOM 805 CG ARG A 53 2.124 15.444 0.401 1.00 0.00 C ATOM 806 CD ARG A 53 2.840 16.284 -0.658 1.00 0.00 C ATOM 807 NE ARG A 53 3.735 17.266 -0.006 1.00 0.00 N ATOM 808 CZ ARG A 53 4.329 18.282 -0.646 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.129 18.455 -1.960 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.125 19.124 0.027 1.00 0.00 N ATOM 0 H ARG A 53 -1.727 14.727 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 53 0.442 13.397 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.390 15.355 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.205 16.423 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.357 15.829 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.489 14.417 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.417 15.637 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.109 16.802 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 53 3.911 17.163 0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.524 17.813 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.581 19.229 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.279 18.991 1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.577 19.898 -0.460 1.00 0.00 H new ATOM 824 N GLN A 54 -0.512 15.788 2.837 1.00 0.00 N ATOM 825 CA GLN A 54 -0.497 16.204 4.229 1.00 0.00 C ATOM 826 C GLN A 54 -0.903 15.040 5.135 1.00 0.00 C ATOM 827 O GLN A 54 -0.198 14.717 6.090 1.00 0.00 O ATOM 828 CB GLN A 54 -1.407 17.414 4.450 1.00 0.00 C ATOM 829 CG GLN A 54 -0.989 18.584 3.557 1.00 0.00 C ATOM 830 CD GLN A 54 -2.157 19.054 2.687 1.00 0.00 C ATOM 831 OE1 GLN A 54 -2.011 18.782 1.394 1.00 0.00 O flip ATOM 832 NE2 GLN A 54 -3.126 19.625 3.160 1.00 0.00 N flip ATOM 0 H GLN A 54 -0.959 16.447 2.200 1.00 0.00 H new ATOM 0 HA GLN A 54 0.519 16.503 4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.440 17.140 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.367 17.718 5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.636 19.410 4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.156 18.282 2.922 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.174 19.802 4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.888 19.925 2.552 1.00 0.00 H new ATOM 841 N TRP A 55 -2.037 14.442 4.804 1.00 0.00 N ATOM 842 CA TRP A 55 -2.545 13.320 5.576 1.00 0.00 C ATOM 843 C TRP A 55 -1.407 12.314 5.752 1.00 0.00 C ATOM 844 O TRP A 55 -1.169 11.828 6.857 1.00 0.00 O ATOM 845 CB TRP A 55 -3.783 12.713 4.911 1.00 0.00 C ATOM 846 CG TRP A 55 -4.436 11.592 5.721 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.555 11.649 6.457 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.964 10.234 5.846 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.836 10.433 7.046 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.838 9.545 6.663 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.835 9.608 5.289 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.674 8.195 6.995 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.685 8.259 5.631 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.556 7.551 6.451 1.00 0.00 C ATOM 0 H TRP A 55 -2.619 14.713 4.011 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.875 13.648 6.562 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.517 13.502 4.744 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.503 12.325 3.932 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.161 12.535 6.574 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.630 10.224 7.651 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.138 10.127 4.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.372 7.678 7.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.833 7.731 5.230 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.371 6.509 6.667 1.00 0.00 H new ATOM 865 N MET A 56 -0.734 12.029 4.647 1.00 0.00 N ATOM 866 CA MET A 56 0.374 11.089 4.666 1.00 0.00 C ATOM 867 C MET A 56 1.416 11.491 5.712 1.00 0.00 C ATOM 868 O MET A 56 1.893 10.650 6.472 1.00 0.00 O ATOM 869 CB MET A 56 1.028 11.043 3.284 1.00 0.00 C ATOM 870 CG MET A 56 1.782 9.728 3.078 1.00 0.00 C ATOM 871 SD MET A 56 2.780 9.821 1.601 1.00 0.00 S ATOM 872 CE MET A 56 3.889 11.143 2.058 1.00 0.00 C ATOM 0 H MET A 56 -0.935 12.433 3.732 1.00 0.00 H new ATOM 0 HA MET A 56 -0.013 10.104 4.927 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.265 11.154 2.513 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.716 11.882 3.175 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.414 9.523 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.075 8.903 2.997 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.892 10.919 1.695 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.543 12.077 1.616 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.910 11.242 3.143 1.00 0.00 H new ATOM 882 N TYR A 57 1.738 12.776 5.716 1.00 0.00 N ATOM 883 CA TYR A 57 2.715 13.299 6.656 1.00 0.00 C ATOM 884 C TYR A 57 2.200 13.202 8.093 1.00 0.00 C ATOM 885 O TYR A 57 2.946 13.441 9.041 1.00 0.00 O ATOM 886 CB TYR A 57 2.902 14.774 6.292 1.00 0.00 C ATOM 887 CG TYR A 57 3.848 15.009 5.113 1.00 0.00 C ATOM 888 CD1 TYR A 57 3.823 14.156 4.028 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.725 16.074 5.133 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.713 14.377 2.918 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.615 16.295 4.023 1.00 0.00 C ATOM 892 CZ TYR A 57 5.565 15.436 2.970 1.00 0.00 C ATOM 893 OH TYR A 57 6.405 15.645 1.921 1.00 0.00 O ATOM 0 H TYR A 57 1.340 13.470 5.084 1.00 0.00 H new ATOM 0 HA TYR A 57 3.645 12.733 6.599 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.929 15.205 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.284 15.307 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.136 13.323 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.744 16.742 5.981 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.704 13.717 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.307 17.124 4.027 1.00 0.00 H new ATOM 0 HH TYR A 57 6.955 16.437 2.095 1.00 0.00 H new ATOM 903 N LYS A 58 0.928 12.850 8.209 1.00 0.00 N ATOM 904 CA LYS A 58 0.305 12.718 9.515 1.00 0.00 C ATOM 905 C LYS A 58 0.185 11.235 9.871 1.00 0.00 C ATOM 906 O LYS A 58 -0.148 10.889 11.004 1.00 0.00 O ATOM 907 CB LYS A 58 -1.029 13.468 9.551 1.00 0.00 C ATOM 908 CG LYS A 58 -0.840 14.939 9.175 1.00 0.00 C ATOM 909 CD LYS A 58 -1.797 15.834 9.967 1.00 0.00 C ATOM 910 CE LYS A 58 -2.035 17.159 9.241 1.00 0.00 C ATOM 911 NZ LYS A 58 -1.299 18.256 9.910 1.00 0.00 N ATOM 0 H LYS A 58 0.312 12.652 7.420 1.00 0.00 H new ATOM 0 HA LYS A 58 0.926 13.181 10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.732 13.000 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.464 13.397 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.190 15.239 9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.013 15.070 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.747 15.319 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.385 16.027 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.711 17.075 8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.101 17.385 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.471 19.148 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.627 18.346 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.281 18.045 9.903 1.00 0.00 H new ATOM 925 N ASN A 59 0.465 10.398 8.883 1.00 0.00 N ATOM 926 CA ASN A 59 0.393 8.960 9.078 1.00 0.00 C ATOM 927 C ASN A 59 1.760 8.340 8.779 1.00 0.00 C ATOM 928 O ASN A 59 1.846 7.307 8.117 1.00 0.00 O ATOM 929 CB ASN A 59 -0.630 8.326 8.133 1.00 0.00 C ATOM 930 CG ASN A 59 -2.053 8.745 8.505 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.890 7.937 8.875 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.281 10.050 8.389 1.00 0.00 N ATOM 0 H ASN A 59 0.742 10.688 7.945 1.00 0.00 H new ATOM 0 HA ASN A 59 0.094 8.774 10.110 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.416 8.624 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.544 7.240 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.200 10.429 8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.536 10.672 8.074 1.00 0.00 H new ATOM 939 N VAL A 60 2.795 8.998 9.281 1.00 0.00 N ATOM 940 CA VAL A 60 4.153 8.524 9.076 1.00 0.00 C ATOM 941 C VAL A 60 5.051 9.064 10.191 1.00 0.00 C ATOM 942 O VAL A 60 5.241 10.274 10.309 1.00 0.00 O ATOM 943 CB VAL A 60 4.637 8.913 7.678 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.121 8.584 7.500 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.792 8.237 6.597 1.00 0.00 C ATOM 0 H VAL A 60 2.720 9.855 9.829 1.00 0.00 H new ATOM 0 HA VAL A 60 4.190 7.436 9.127 1.00 0.00 H new ATOM 0 HB VAL A 60 4.518 9.991 7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.440 8.870 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.706 9.133 8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.275 7.514 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.157 8.531 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.864 7.155 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.751 8.543 6.704 1.00 0.00 H new ATOM 955 N PRO A 61 5.592 8.117 11.003 1.00 0.00 N ATOM 956 CA PRO A 61 6.465 8.485 12.104 1.00 0.00 C ATOM 957 C PRO A 61 7.850 8.890 11.595 1.00 0.00 C ATOM 958 O PRO A 61 8.171 8.680 10.427 1.00 0.00 O ATOM 959 CB PRO A 61 6.498 7.261 13.006 1.00 0.00 C ATOM 960 CG PRO A 61 6.022 6.099 12.149 1.00 0.00 C ATOM 961 CD PRO A 61 5.389 6.675 10.893 1.00 0.00 C ATOM 0 HA PRO A 61 6.107 9.357 12.651 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.505 7.081 13.384 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.852 7.397 13.873 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.857 5.448 11.891 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.301 5.492 12.696 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.859 6.276 9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.329 6.428 10.835 1.00 0.00 H new ATOM 969 N PRO A 62 8.653 9.478 12.521 1.00 0.00 N ATOM 970 CA PRO A 62 9.996 9.914 12.178 1.00 0.00 C ATOM 971 C PRO A 62 10.947 8.721 12.060 1.00 0.00 C ATOM 972 O PRO A 62 11.927 8.775 11.319 1.00 0.00 O ATOM 973 CB PRO A 62 10.390 10.881 13.283 1.00 0.00 C ATOM 974 CG PRO A 62 9.448 10.596 14.441 1.00 0.00 C ATOM 975 CD PRO A 62 8.306 9.742 13.915 1.00 0.00 C ATOM 0 HA PRO A 62 10.044 10.402 11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.429 10.734 13.579 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.297 11.914 12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.974 10.077 15.242 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.066 11.527 14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.210 8.816 14.482 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.352 10.264 13.994 1.00 0.00 H new ATOM 983 N GLU A 63 10.624 7.672 12.803 1.00 0.00 N ATOM 984 CA GLU A 63 11.437 6.468 12.791 1.00 0.00 C ATOM 985 C GLU A 63 11.255 5.718 11.470 1.00 0.00 C ATOM 986 O GLU A 63 11.997 4.781 11.177 1.00 0.00 O ATOM 987 CB GLU A 63 11.102 5.569 13.983 1.00 0.00 C ATOM 988 CG GLU A 63 9.974 4.596 13.636 1.00 0.00 C ATOM 989 CD GLU A 63 9.384 3.967 14.900 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.067 4.745 15.826 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.263 2.723 14.912 1.00 0.00 O ATOM 0 H GLU A 63 9.810 7.631 13.417 1.00 0.00 H new ATOM 0 HA GLU A 63 12.484 6.758 12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.989 5.011 14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.809 6.183 14.835 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.192 5.121 13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.353 3.813 12.979 1.00 0.00 H new ATOM 998 N LYS A 64 10.263 6.157 10.709 1.00 0.00 N ATOM 999 CA LYS A 64 9.975 5.538 9.426 1.00 0.00 C ATOM 1000 C LYS A 64 10.404 6.483 8.301 1.00 0.00 C ATOM 1001 O LYS A 64 10.790 6.034 7.223 1.00 0.00 O ATOM 1002 CB LYS A 64 8.505 5.121 9.351 1.00 0.00 C ATOM 1003 CG LYS A 64 8.188 4.039 10.386 1.00 0.00 C ATOM 1004 CD LYS A 64 8.773 2.690 9.965 1.00 0.00 C ATOM 1005 CE LYS A 64 7.670 1.643 9.796 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.256 0.313 9.516 1.00 0.00 N ATOM 0 H LYS A 64 9.649 6.933 10.956 1.00 0.00 H new ATOM 0 HA LYS A 64 10.550 4.619 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.868 5.989 9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.279 4.750 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.593 4.328 11.356 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.108 3.950 10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.319 2.803 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.490 2.351 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.063 1.596 10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.007 1.933 8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.494 -0.386 9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.816 0.358 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.871 0.031 10.306 1.00 0.00 H new ATOM 1020 N LYS A 65 10.321 7.773 8.591 1.00 0.00 N ATOM 1021 CA LYS A 65 10.696 8.784 7.618 1.00 0.00 C ATOM 1022 C LYS A 65 11.938 8.317 6.856 1.00 0.00 C ATOM 1023 O LYS A 65 12.969 8.027 7.460 1.00 0.00 O ATOM 1024 CB LYS A 65 10.867 10.144 8.297 1.00 0.00 C ATOM 1025 CG LYS A 65 9.521 10.854 8.451 1.00 0.00 C ATOM 1026 CD LYS A 65 9.682 12.182 9.193 1.00 0.00 C ATOM 1027 CE LYS A 65 8.354 12.633 9.804 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.426 14.055 10.208 1.00 0.00 N ATOM 0 H LYS A 65 9.999 8.141 9.486 1.00 0.00 H new ATOM 0 HA LYS A 65 9.902 8.918 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.325 10.010 9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.544 10.765 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.086 11.033 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.827 10.212 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.430 12.075 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.048 12.945 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.549 12.494 9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.116 12.014 10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.517 14.345 10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.181 14.178 10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.631 14.643 9.375 1.00 0.00 H new ATOM 1042 N PRO A 66 11.794 8.257 5.505 1.00 0.00 N ATOM 1043 CA PRO A 66 12.892 7.830 4.654 1.00 0.00 C ATOM 1044 C PRO A 66 13.948 8.930 4.527 1.00 0.00 C ATOM 1045 O PRO A 66 13.688 10.085 4.859 1.00 0.00 O ATOM 1046 CB PRO A 66 12.244 7.473 3.326 1.00 0.00 C ATOM 1047 CG PRO A 66 10.883 8.150 3.331 1.00 0.00 C ATOM 1048 CD PRO A 66 10.588 8.593 4.754 1.00 0.00 C ATOM 0 HA PRO A 66 13.432 6.975 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.850 7.821 2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.143 6.393 3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.880 9.006 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.114 7.463 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.378 9.661 4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.715 8.078 5.156 1.00 0.00 H new ATOM 1094 N ASN A 70 10.993 15.151 6.052 1.00 0.00 N ATOM 1095 CA ASN A 70 9.597 14.818 5.824 1.00 0.00 C ATOM 1096 C ASN A 70 9.509 13.464 5.117 1.00 0.00 C ATOM 1097 O ASN A 70 10.466 13.031 4.476 1.00 0.00 O ATOM 1098 CB ASN A 70 8.921 15.861 4.933 1.00 0.00 C ATOM 1099 CG ASN A 70 8.852 17.220 5.634 1.00 0.00 C ATOM 1100 OD1 ASN A 70 8.811 17.318 6.850 1.00 0.00 O ATOM 1101 ND2 ASN A 70 8.840 18.258 4.803 1.00 0.00 N ATOM 0 HA ASN A 70 9.095 14.789 6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.473 15.958 3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.915 15.529 4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.794 19.207 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.877 18.105 3.795 1.00 0.00 H new ATOM 1108 N PRO A 71 8.322 12.816 5.262 1.00 0.00 N ATOM 1109 CA PRO A 71 8.097 11.520 4.644 1.00 0.00 C ATOM 1110 C PRO A 71 7.876 11.662 3.137 1.00 0.00 C ATOM 1111 O PRO A 71 7.002 12.410 2.702 1.00 0.00 O ATOM 1112 CB PRO A 71 6.892 10.944 5.370 1.00 0.00 C ATOM 1113 CG PRO A 71 6.206 12.122 6.041 1.00 0.00 C ATOM 1114 CD PRO A 71 7.167 13.299 6.013 1.00 0.00 C ATOM 0 HA PRO A 71 8.956 10.855 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.218 10.445 4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.198 10.200 6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.281 12.372 5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.937 11.873 7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.716 14.167 5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.449 13.604 7.021 1.00 0.00 H new ATOM 1122 N LEU A 72 8.684 10.932 2.382 1.00 0.00 N ATOM 1123 CA LEU A 72 8.588 10.967 0.932 1.00 0.00 C ATOM 1124 C LEU A 72 8.070 9.618 0.428 1.00 0.00 C ATOM 1125 O LEU A 72 8.177 8.609 1.122 1.00 0.00 O ATOM 1126 CB LEU A 72 9.925 11.382 0.316 1.00 0.00 C ATOM 1127 CG LEU A 72 10.442 12.768 0.707 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.945 12.885 0.449 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.651 13.868 -0.004 1.00 0.00 C ATOM 0 H LEU A 72 9.408 10.313 2.747 1.00 0.00 H new ATOM 0 HA LEU A 72 7.870 11.724 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.676 10.644 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.830 11.344 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 72 10.288 12.901 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.287 13.880 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.475 12.136 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.146 12.723 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.038 14.843 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.751 13.749 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.599 13.796 0.273 1.00 0.00 H new ATOM 1141 N PRO A 73 7.505 9.646 -0.809 1.00 0.00 N ATOM 1142 CA PRO A 73 6.971 8.438 -1.415 1.00 0.00 C ATOM 1143 C PRO A 73 8.097 7.529 -1.912 1.00 0.00 C ATOM 1144 O PRO A 73 9.258 7.936 -1.947 1.00 0.00 O ATOM 1145 CB PRO A 73 6.066 8.927 -2.534 1.00 0.00 C ATOM 1146 CG PRO A 73 6.484 10.361 -2.813 1.00 0.00 C ATOM 1147 CD PRO A 73 7.361 10.823 -1.661 1.00 0.00 C ATOM 0 HA PRO A 73 6.413 7.824 -0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.177 8.308 -3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.018 8.876 -2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.028 10.424 -3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.608 11.003 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.329 11.175 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.901 11.650 -1.120 1.00 0.00 H new ATOM 1155 N PRO A 74 7.705 6.284 -2.293 1.00 0.00 N ATOM 1156 CA PRO A 74 6.311 5.883 -2.219 1.00 0.00 C ATOM 1157 C PRO A 74 5.895 5.609 -0.773 1.00 0.00 C ATOM 1158 O PRO A 74 6.743 5.386 0.089 1.00 0.00 O ATOM 1159 CB PRO A 74 6.207 4.656 -3.110 1.00 0.00 C ATOM 1160 CG PRO A 74 7.627 4.141 -3.278 1.00 0.00 C ATOM 1161 CD PRO A 74 8.576 5.229 -2.802 1.00 0.00 C ATOM 0 HA PRO A 74 5.630 6.664 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.568 3.898 -2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.767 4.910 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.773 3.228 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.822 3.893 -4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.245 4.859 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.203 5.592 -3.617 1.00 0.00 H new ATOM 1169 N GLN A 75 4.589 5.636 -0.551 1.00 0.00 N ATOM 1170 CA GLN A 75 4.050 5.393 0.776 1.00 0.00 C ATOM 1171 C GLN A 75 2.774 4.554 0.686 1.00 0.00 C ATOM 1172 O GLN A 75 1.669 5.094 0.701 1.00 0.00 O ATOM 1173 CB GLN A 75 3.789 6.709 1.511 1.00 0.00 C ATOM 1174 CG GLN A 75 5.103 7.412 1.859 1.00 0.00 C ATOM 1175 CD GLN A 75 5.496 7.150 3.314 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.671 6.855 4.164 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.799 7.274 3.553 1.00 0.00 N ATOM 0 H GLN A 75 3.888 5.823 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 75 4.789 4.834 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.177 7.362 0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.224 6.515 2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.894 7.061 1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.001 8.485 1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.435 7.523 2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.162 7.120 4.494 1.00 0.00 H new ATOM 1186 N ILE A 76 2.969 3.246 0.593 1.00 0.00 N ATOM 1187 CA ILE A 76 1.847 2.327 0.500 1.00 0.00 C ATOM 1188 C ILE A 76 0.970 2.472 1.745 1.00 0.00 C ATOM 1189 O ILE A 76 1.478 2.663 2.849 1.00 0.00 O ATOM 1190 CB ILE A 76 2.343 0.900 0.261 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.120 0.803 -1.054 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.186 -0.099 0.317 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.617 0.624 -0.793 1.00 0.00 C ATOM 0 H ILE A 76 3.887 2.801 0.580 1.00 0.00 H new ATOM 0 HA ILE A 76 1.224 2.572 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 76 3.033 0.639 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.746 -0.036 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.955 1.704 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.566 -1.106 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.713 -0.053 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.453 0.149 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.147 0.558 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.992 1.477 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.780 -0.290 -0.222 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.334 2.377 1.526 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.287 2.495 2.616 1.00 0.00 C ATOM 1207 C PHE A 77 -2.569 1.719 2.310 1.00 0.00 C ATOM 1208 O PHE A 77 -3.266 2.021 1.343 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.625 3.981 2.755 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.678 4.750 3.678 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.689 4.510 5.017 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.174 5.675 3.161 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.189 5.225 5.874 1.00 0.00 C ATOM 1214 CE2 PHE A 77 1.053 6.390 4.017 1.00 0.00 C ATOM 1215 CZ PHE A 77 1.042 6.149 5.356 1.00 0.00 C ATOM 0 H PHE A 77 -0.752 2.220 0.609 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.858 2.088 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.607 4.441 1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.643 4.078 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.366 3.776 5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.182 5.866 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.179 5.035 6.937 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.730 7.124 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.711 6.692 6.008 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.842 0.733 3.153 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.028 -0.088 2.985 1.00 0.00 C ATOM 1227 C ASN A 78 -5.211 0.582 3.685 1.00 0.00 C ATOM 1228 O ASN A 78 -5.500 0.287 4.844 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.832 -1.472 3.608 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.853 -2.470 3.058 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.055 -2.273 3.131 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.309 -3.550 2.504 1.00 0.00 N ATOM 0 H ASN A 78 -2.262 0.485 3.954 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.215 -0.196 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.823 -1.828 3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.931 -1.405 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.906 -4.275 2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.295 -3.653 2.476 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.865 1.472 2.952 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.010 2.187 3.489 1.00 0.00 C ATOM 1241 C GLY A 79 -6.655 2.883 4.804 1.00 0.00 C ATOM 1242 O GLY A 79 -7.225 2.573 5.849 1.00 0.00 O ATOM 0 H GLY A 79 -5.623 1.714 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.355 2.925 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.833 1.492 3.652 1.00 0.00 H new ATOM 1246 N ASP A 80 -5.715 3.812 4.710 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.277 4.555 5.879 1.00 0.00 C ATOM 1248 C ASP A 80 -4.212 3.747 6.622 1.00 0.00 C ATOM 1249 O ASP A 80 -3.197 4.296 7.049 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.440 4.802 6.842 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.789 5.071 6.172 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.768 5.652 5.065 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -8.812 4.688 6.781 1.00 0.00 O ATOM 0 H ASP A 80 -5.244 4.067 3.842 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.879 5.512 5.541 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.542 3.935 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.191 5.652 7.478 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.479 2.456 6.754 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.556 1.567 7.438 1.00 0.00 C ATOM 1260 C ARG A 81 -2.139 1.751 6.892 1.00 0.00 C ATOM 1261 O ARG A 81 -1.903 1.576 5.697 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.974 0.105 7.272 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.346 -0.773 8.356 1.00 0.00 C ATOM 1264 CD ARG A 81 -2.876 -2.108 7.777 1.00 0.00 C ATOM 1265 NE ARG A 81 -1.888 -2.734 8.685 1.00 0.00 N ATOM 1266 CZ ARG A 81 -2.208 -3.371 9.819 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.491 -3.471 10.192 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -1.245 -3.908 10.581 1.00 0.00 N ATOM 0 H ARG A 81 -5.322 2.004 6.399 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.576 1.820 8.498 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.060 0.026 7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.671 -0.254 6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.502 -0.251 8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.072 -0.952 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.728 -2.774 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.431 -1.951 6.794 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.902 -2.677 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.224 -3.062 9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.735 -3.956 11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.268 -3.832 10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.489 -4.393 11.445 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.232 2.101 7.793 1.00 0.00 N ATOM 1283 CA TYR A 82 0.155 2.310 7.416 1.00 0.00 C ATOM 1284 C TYR A 82 0.845 0.981 7.102 1.00 0.00 C ATOM 1285 O TYR A 82 1.065 0.166 7.997 1.00 0.00 O ATOM 1286 CB TYR A 82 0.831 2.947 8.631 1.00 0.00 C ATOM 1287 CG TYR A 82 2.276 3.385 8.382 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.772 3.425 7.095 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.082 3.740 9.444 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.132 3.837 6.860 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.442 4.152 9.209 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.900 4.180 7.929 1.00 0.00 C ATOM 1293 OH TYR A 82 6.184 4.569 7.707 1.00 0.00 O ATOM 0 H TYR A 82 -1.431 2.245 8.783 1.00 0.00 H new ATOM 0 HA TYR A 82 0.220 2.935 6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.249 3.813 8.945 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.815 2.236 9.457 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.141 3.147 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.693 3.709 10.451 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.533 3.873 5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.084 4.432 10.031 1.00 0.00 H new ATOM 0 HH TYR A 82 6.249 4.995 6.827 1.00 0.00 H new ATOM 1303 N CYS A 83 1.166 0.803 5.829 1.00 0.00 N ATOM 1304 CA CYS A 83 1.826 -0.414 5.387 1.00 0.00 C ATOM 1305 C CYS A 83 3.336 -0.222 5.534 1.00 0.00 C ATOM 1306 O CYS A 83 3.968 -0.863 6.372 1.00 0.00 O ATOM 1307 CB CYS A 83 1.434 -0.781 3.954 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.351 -1.178 3.875 1.00 0.00 S ATOM 0 H CYS A 83 0.981 1.481 5.090 1.00 0.00 H new ATOM 0 HA CYS A 83 1.505 -1.251 6.007 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.661 0.047 3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.020 -1.635 3.615 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.652 -1.588 2.679 1.00 0.00 H new ATOM 1314 N GLY A 84 3.871 0.664 4.706 1.00 0.00 N ATOM 1315 CA GLY A 84 5.296 0.948 4.734 1.00 0.00 C ATOM 1316 C GLY A 84 5.762 1.545 3.404 1.00 0.00 C ATOM 1317 O GLY A 84 5.086 1.404 2.386 1.00 0.00 O ATOM 0 H GLY A 84 3.344 1.194 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.516 1.642 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.849 0.032 4.939 1.00 0.00 H new ATOM 1321 N ASP A 85 6.913 2.200 3.457 1.00 0.00 N ATOM 1322 CA ASP A 85 7.477 2.819 2.270 1.00 0.00 C ATOM 1323 C ASP A 85 8.170 1.750 1.423 1.00 0.00 C ATOM 1324 O ASP A 85 8.208 0.580 1.802 1.00 0.00 O ATOM 1325 CB ASP A 85 8.518 3.876 2.641 1.00 0.00 C ATOM 1326 CG ASP A 85 9.773 3.335 3.329 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.997 2.110 3.218 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.479 4.158 3.950 1.00 0.00 O ATOM 0 H ASP A 85 7.470 2.315 4.304 1.00 0.00 H new ATOM 0 HA ASP A 85 6.664 3.292 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.817 4.403 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.050 4.610 3.297 1.00 0.00 H new ATOM 1333 N TYR A 86 8.703 2.189 0.292 1.00 0.00 N ATOM 1334 CA TYR A 86 9.393 1.284 -0.611 1.00 0.00 C ATOM 1335 C TYR A 86 10.281 0.308 0.163 1.00 0.00 C ATOM 1336 O TYR A 86 10.276 -0.891 -0.110 1.00 0.00 O ATOM 1337 CB TYR A 86 10.276 2.166 -1.498 1.00 0.00 C ATOM 1338 CG TYR A 86 11.375 1.401 -2.237 1.00 0.00 C ATOM 1339 CD1 TYR A 86 11.117 0.844 -3.473 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.625 1.268 -1.668 1.00 0.00 C ATOM 1341 CE1 TYR A 86 12.152 0.125 -4.169 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.660 0.548 -2.364 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.372 0.012 -3.581 1.00 0.00 C ATOM 1344 OH TYR A 86 14.350 -0.668 -4.238 1.00 0.00 O ATOM 0 H TYR A 86 8.671 3.160 -0.019 1.00 0.00 H new ATOM 0 HA TYR A 86 8.678 0.696 -1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.647 2.674 -2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.736 2.938 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 86 10.138 0.947 -3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.827 1.704 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.963 -0.315 -5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.643 0.436 -1.930 1.00 0.00 H new ATOM 0 HH TYR A 86 15.168 -0.667 -3.699 1.00 0.00 H new ATOM 1354 N ASP A 87 11.022 0.859 1.113 1.00 0.00 N ATOM 1355 CA ASP A 87 11.914 0.052 1.929 1.00 0.00 C ATOM 1356 C ASP A 87 11.167 -1.191 2.416 1.00 0.00 C ATOM 1357 O ASP A 87 11.621 -2.315 2.206 1.00 0.00 O ATOM 1358 CB ASP A 87 12.391 0.829 3.157 1.00 0.00 C ATOM 1359 CG ASP A 87 13.784 0.449 3.662 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.759 0.837 2.983 1.00 0.00 O ATOM 1361 OD2 ASP A 87 13.843 -0.221 4.715 1.00 0.00 O ATOM 0 H ASP A 87 11.023 1.854 1.336 1.00 0.00 H new ATOM 0 HA ASP A 87 12.775 -0.221 1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.385 1.893 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.675 0.678 3.965 1.00 0.00 H new ATOM 1366 N SER A 88 10.033 -0.948 3.057 1.00 0.00 N ATOM 1367 CA SER A 88 9.219 -2.034 3.576 1.00 0.00 C ATOM 1368 C SER A 88 8.860 -3.004 2.449 1.00 0.00 C ATOM 1369 O SER A 88 9.168 -4.192 2.526 1.00 0.00 O ATOM 1370 CB SER A 88 7.949 -1.500 4.242 1.00 0.00 C ATOM 1371 OG SER A 88 7.717 -2.105 5.511 1.00 0.00 O ATOM 0 H SER A 88 9.659 -0.015 3.229 1.00 0.00 H new ATOM 0 HA SER A 88 9.798 -2.565 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.031 -0.420 4.365 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.094 -1.683 3.591 1.00 0.00 H new ATOM 0 HG SER A 88 6.898 -1.737 5.904 1.00 0.00 H new ATOM 1377 N PHE A 89 8.214 -2.461 1.427 1.00 0.00 N ATOM 1378 CA PHE A 89 7.810 -3.263 0.285 1.00 0.00 C ATOM 1379 C PHE A 89 8.939 -4.198 -0.154 1.00 0.00 C ATOM 1380 O PHE A 89 8.756 -5.413 -0.213 1.00 0.00 O ATOM 1381 CB PHE A 89 7.495 -2.292 -0.855 1.00 0.00 C ATOM 1382 CG PHE A 89 7.068 -2.977 -2.154 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.848 -3.573 -2.240 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.907 -2.989 -3.225 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.451 -4.208 -3.446 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.510 -3.624 -4.431 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.290 -4.220 -4.516 1.00 0.00 C ATOM 0 H PHE A 89 7.960 -1.475 1.366 1.00 0.00 H new ATOM 0 HA PHE A 89 6.947 -3.876 0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.702 -1.616 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.375 -1.680 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.181 -3.563 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.875 -2.515 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.483 -4.682 -3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.176 -3.634 -5.281 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.988 -4.703 -5.434 1.00 0.00 H new ATOM 1397 N PHE A 90 10.081 -3.596 -0.452 1.00 0.00 N ATOM 1398 CA PHE A 90 11.239 -4.360 -0.884 1.00 0.00 C ATOM 1399 C PHE A 90 11.610 -5.426 0.149 1.00 0.00 C ATOM 1400 O PHE A 90 11.691 -6.609 -0.177 1.00 0.00 O ATOM 1401 CB PHE A 90 12.400 -3.373 -1.021 1.00 0.00 C ATOM 1402 CG PHE A 90 13.691 -4.001 -1.550 1.00 0.00 C ATOM 1403 CD1 PHE A 90 13.634 -4.998 -2.474 1.00 0.00 C ATOM 1404 CD2 PHE A 90 14.896 -3.563 -1.096 1.00 0.00 C ATOM 1405 CE1 PHE A 90 14.833 -5.580 -2.965 1.00 0.00 C ATOM 1406 CE2 PHE A 90 16.094 -4.145 -1.587 1.00 0.00 C ATOM 1407 CZ PHE A 90 16.037 -5.142 -2.511 1.00 0.00 C ATOM 0 H PHE A 90 10.229 -2.588 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 90 11.021 -4.865 -1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.100 -2.566 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.599 -2.924 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 90 12.677 -5.347 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 90 14.941 -2.772 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 90 14.788 -6.371 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 90 17.051 -3.796 -1.227 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.948 -5.585 -2.884 1.00 0.00 H new ATOM 1417 N GLU A 91 11.824 -4.968 1.373 1.00 0.00 N ATOM 1418 CA GLU A 91 12.184 -5.867 2.456 1.00 0.00 C ATOM 1419 C GLU A 91 11.261 -7.087 2.462 1.00 0.00 C ATOM 1420 O GLU A 91 11.727 -8.223 2.538 1.00 0.00 O ATOM 1421 CB GLU A 91 12.147 -5.145 3.804 1.00 0.00 C ATOM 1422 CG GLU A 91 13.551 -5.027 4.402 1.00 0.00 C ATOM 1423 CD GLU A 91 13.485 -4.756 5.906 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.586 -5.339 6.549 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.336 -3.972 6.379 1.00 0.00 O ATOM 0 H GLU A 91 11.755 -3.986 1.639 1.00 0.00 H new ATOM 0 HA GLU A 91 13.206 -6.209 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.717 -4.151 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.499 -5.687 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.107 -5.947 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.094 -4.222 3.907 1.00 0.00 H new ATOM 1432 N SER A 92 9.968 -6.811 2.381 1.00 0.00 N ATOM 1433 CA SER A 92 8.975 -7.872 2.377 1.00 0.00 C ATOM 1434 C SER A 92 9.005 -8.611 1.037 1.00 0.00 C ATOM 1435 O SER A 92 8.649 -9.786 0.965 1.00 0.00 O ATOM 1436 CB SER A 92 7.575 -7.317 2.645 1.00 0.00 C ATOM 1437 OG SER A 92 7.286 -7.248 4.039 1.00 0.00 O ATOM 0 H SER A 92 9.585 -5.868 2.318 1.00 0.00 H new ATOM 0 HA SER A 92 9.218 -8.571 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.489 -6.322 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.835 -7.947 2.152 1.00 0.00 H new ATOM 0 HG SER A 92 7.024 -6.333 4.274 1.00 0.00 H new ATOM 1443 N LYS A 93 9.432 -7.891 0.010 1.00 0.00 N ATOM 1444 CA LYS A 93 9.513 -8.464 -1.323 1.00 0.00 C ATOM 1445 C LYS A 93 10.443 -9.679 -1.295 1.00 0.00 C ATOM 1446 O LYS A 93 10.101 -10.738 -1.819 1.00 0.00 O ATOM 1447 CB LYS A 93 9.925 -7.398 -2.340 1.00 0.00 C ATOM 1448 CG LYS A 93 9.180 -7.586 -3.663 1.00 0.00 C ATOM 1449 CD LYS A 93 8.767 -6.237 -4.256 1.00 0.00 C ATOM 1450 CE LYS A 93 9.992 -5.370 -4.552 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.003 -4.955 -5.973 1.00 0.00 N ATOM 0 H LYS A 93 9.725 -6.916 0.074 1.00 0.00 H new ATOM 0 HA LYS A 93 8.534 -8.818 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.716 -6.407 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.000 -7.451 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.816 -8.119 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.296 -8.203 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.200 -6.397 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.108 -5.717 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.985 -4.489 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.902 -5.925 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.427 -4.009 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.561 -5.634 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.028 -4.930 -6.335 1.00 0.00 H new ATOM 1465 N GLU A 94 11.600 -9.485 -0.679 1.00 0.00 N ATOM 1466 CA GLU A 94 12.581 -10.552 -0.577 1.00 0.00 C ATOM 1467 C GLU A 94 11.983 -11.754 0.156 1.00 0.00 C ATOM 1468 O GLU A 94 12.461 -12.878 0.007 1.00 0.00 O ATOM 1469 CB GLU A 94 13.853 -10.062 0.118 1.00 0.00 C ATOM 1470 CG GLU A 94 14.572 -9.012 -0.730 1.00 0.00 C ATOM 1471 CD GLU A 94 16.070 -8.989 -0.420 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.698 -10.059 -0.572 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.553 -7.901 -0.036 1.00 0.00 O ATOM 0 H GLU A 94 11.880 -8.605 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 94 12.855 -10.866 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.600 -9.638 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.519 -10.905 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.419 -9.227 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.142 -8.029 -0.539 1.00 0.00 H new ATOM 1480 N SER A 95 10.946 -11.477 0.934 1.00 0.00 N ATOM 1481 CA SER A 95 10.278 -12.522 1.691 1.00 0.00 C ATOM 1482 C SER A 95 8.954 -12.891 1.018 1.00 0.00 C ATOM 1483 O SER A 95 8.195 -13.707 1.539 1.00 0.00 O ATOM 1484 CB SER A 95 10.036 -12.085 3.137 1.00 0.00 C ATOM 1485 OG SER A 95 9.673 -13.182 3.972 1.00 0.00 O ATOM 0 H SER A 95 10.552 -10.544 1.056 1.00 0.00 H new ATOM 0 HA SER A 95 10.925 -13.399 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.937 -11.613 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.247 -11.334 3.162 1.00 0.00 H new ATOM 0 HG SER A 95 9.051 -13.767 3.491 1.00 0.00 H new ATOM 1491 N ASN A 96 8.718 -12.272 -0.129 1.00 0.00 N ATOM 1492 CA ASN A 96 7.498 -12.524 -0.878 1.00 0.00 C ATOM 1493 C ASN A 96 6.291 -12.345 0.045 1.00 0.00 C ATOM 1494 O ASN A 96 5.370 -13.159 0.033 1.00 0.00 O ATOM 1495 CB ASN A 96 7.471 -13.955 -1.419 1.00 0.00 C ATOM 1496 CG ASN A 96 6.961 -13.986 -2.862 1.00 0.00 C ATOM 1497 OD1 ASN A 96 6.263 -13.097 -3.320 1.00 0.00 O ATOM 1498 ND2 ASN A 96 7.348 -15.057 -3.549 1.00 0.00 N ATOM 0 H ASN A 96 9.350 -11.597 -0.558 1.00 0.00 H new ATOM 0 HA ASN A 96 7.462 -11.822 -1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.472 -14.384 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.831 -14.574 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.060 -15.171 -4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.933 -15.764 -3.104 1.00 0.00 H new ATOM 1505 N THR A 97 6.336 -11.273 0.823 1.00 0.00 N ATOM 1506 CA THR A 97 5.257 -10.976 1.750 1.00 0.00 C ATOM 1507 C THR A 97 4.555 -9.676 1.353 1.00 0.00 C ATOM 1508 O THR A 97 3.660 -9.210 2.056 1.00 0.00 O ATOM 1509 CB THR A 97 5.844 -10.943 3.163 1.00 0.00 C ATOM 1510 OG1 THR A 97 6.988 -10.102 3.044 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.418 -12.295 3.590 1.00 0.00 C ATOM 0 H THR A 97 7.102 -10.600 0.830 1.00 0.00 H new ATOM 0 HA THR A 97 4.486 -11.746 1.720 1.00 0.00 H new ATOM 0 HB THR A 97 5.072 -10.637 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.429 -10.024 3.916 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.821 -12.217 4.600 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.629 -13.047 3.572 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.213 -12.586 2.903 1.00 0.00 H new ATOM 1519 N VAL A 98 4.988 -9.127 0.227 1.00 0.00 N ATOM 1520 CA VAL A 98 4.412 -7.890 -0.272 1.00 0.00 C ATOM 1521 C VAL A 98 2.908 -7.883 0.008 1.00 0.00 C ATOM 1522 O VAL A 98 2.378 -6.915 0.551 1.00 0.00 O ATOM 1523 CB VAL A 98 4.745 -7.719 -1.755 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.718 -6.821 -2.448 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.163 -7.173 -1.940 1.00 0.00 C ATOM 0 H VAL A 98 5.731 -9.516 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 98 4.842 -7.032 0.245 1.00 0.00 H new ATOM 0 HB VAL A 98 4.701 -8.702 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.978 -6.716 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.727 -7.267 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.716 -5.839 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.374 -7.061 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.246 -6.203 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.880 -7.865 -1.499 1.00 0.00 H new ATOM 1535 N PHE A 99 2.262 -8.975 -0.375 1.00 0.00 N ATOM 1536 CA PHE A 99 0.830 -9.107 -0.172 1.00 0.00 C ATOM 1537 C PHE A 99 0.458 -8.859 1.291 1.00 0.00 C ATOM 1538 O PHE A 99 -0.441 -8.072 1.582 1.00 0.00 O ATOM 1539 CB PHE A 99 0.456 -10.543 -0.545 1.00 0.00 C ATOM 1540 CG PHE A 99 0.407 -10.802 -2.052 1.00 0.00 C ATOM 1541 CD1 PHE A 99 -0.749 -10.601 -2.740 1.00 0.00 C ATOM 1542 CD2 PHE A 99 1.520 -11.233 -2.704 1.00 0.00 C ATOM 1543 CE1 PHE A 99 -0.794 -10.841 -4.139 1.00 0.00 C ATOM 1544 CE2 PHE A 99 1.475 -11.473 -4.103 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.319 -11.272 -4.791 1.00 0.00 C ATOM 0 H PHE A 99 2.705 -9.776 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 99 0.299 -8.377 -0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.177 -11.224 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.518 -10.777 -0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.633 -10.259 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.438 -11.393 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.712 -10.681 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.359 -11.815 -4.621 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.285 -11.455 -5.855 1.00 0.00 H new ATOM 1555 N SER A 100 1.169 -9.546 2.173 1.00 0.00 N ATOM 1556 CA SER A 100 0.925 -9.411 3.599 1.00 0.00 C ATOM 1557 C SER A 100 1.386 -8.034 4.080 1.00 0.00 C ATOM 1558 O SER A 100 0.737 -7.418 4.924 1.00 0.00 O ATOM 1559 CB SER A 100 1.635 -10.514 4.387 1.00 0.00 C ATOM 1560 OG SER A 100 1.295 -11.813 3.911 1.00 0.00 O ATOM 0 H SER A 100 1.914 -10.198 1.928 1.00 0.00 H new ATOM 0 HA SER A 100 -0.146 -9.510 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.714 -10.373 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.371 -10.434 5.441 1.00 0.00 H new ATOM 0 HG SER A 100 1.770 -12.489 4.438 1.00 0.00 H new ATOM 1566 N PHE A 101 2.504 -7.591 3.523 1.00 0.00 N ATOM 1567 CA PHE A 101 3.059 -6.298 3.885 1.00 0.00 C ATOM 1568 C PHE A 101 2.014 -5.190 3.733 1.00 0.00 C ATOM 1569 O PHE A 101 1.949 -4.277 4.554 1.00 0.00 O ATOM 1570 CB PHE A 101 4.218 -6.024 2.924 1.00 0.00 C ATOM 1571 CG PHE A 101 4.486 -4.538 2.680 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.583 -3.683 3.734 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.628 -4.072 1.411 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.833 -2.303 3.508 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.877 -2.692 1.185 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.974 -1.837 2.238 1.00 0.00 C ATOM 0 H PHE A 101 3.040 -8.105 2.824 1.00 0.00 H new ATOM 0 HA PHE A 101 3.386 -6.312 4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.122 -6.485 3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.007 -6.506 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.470 -4.053 4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.551 -4.751 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.911 -1.624 4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.989 -2.322 0.177 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.163 -0.788 2.066 1.00 0.00 H new ATOM 1586 N LEU A 102 1.222 -5.309 2.678 1.00 0.00 N ATOM 1587 CA LEU A 102 0.184 -4.329 2.408 1.00 0.00 C ATOM 1588 C LEU A 102 -1.071 -4.690 3.205 1.00 0.00 C ATOM 1589 O LEU A 102 -1.902 -3.828 3.487 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.058 -4.205 0.903 1.00 0.00 C ATOM 1591 CG LEU A 102 1.171 -4.384 0.009 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.908 -5.422 -1.083 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.626 -3.043 -0.572 1.00 0.00 C ATOM 0 H LEU A 102 1.278 -6.069 2.000 1.00 0.00 H new ATOM 0 HA LEU A 102 0.499 -3.339 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.804 -4.944 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.488 -3.223 0.704 1.00 0.00 H new ATOM 0 HG LEU A 102 1.988 -4.763 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.797 -5.530 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.668 -6.381 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.071 -5.096 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.501 -3.198 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.821 -2.612 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.881 -2.362 0.240 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.170 -5.967 3.545 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.310 -6.453 4.304 1.00 0.00 C ATOM 1607 C GLY A 103 -3.304 -7.179 3.396 1.00 0.00 C ATOM 1608 O GLY A 103 -4.513 -6.977 3.504 1.00 0.00 O ATOM 0 H GLY A 103 -0.480 -6.680 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.968 -7.128 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.806 -5.617 4.797 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.758 -8.010 2.520 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.582 -8.768 1.593 1.00 0.00 C ATOM 1614 C LEU A 104 -3.718 -10.206 2.097 1.00 0.00 C ATOM 1615 O LEU A 104 -4.424 -10.462 3.071 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.024 -8.664 0.172 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.989 -7.260 -0.434 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.065 -7.211 -1.652 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.400 -6.770 -0.765 1.00 0.00 C ATOM 0 H LEU A 104 -1.755 -8.175 2.432 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.587 -8.350 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.010 -9.064 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.620 -9.304 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.577 -6.578 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.059 -6.202 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.054 -7.487 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.423 -7.909 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.346 -5.770 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.862 -7.448 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.999 -6.742 0.146 1.00 0.00 H new