USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 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 101 HIS : no HD1:sc= -0.0963 K(o=0.098,f=-1.3!) USER MOD Set 1.2: A 102 TYR OH : rot 36:sc= 0.194 USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= -0.588 USER MOD Set 2.2: A 91 SER OG : rot 62:sc= 1.11 USER MOD Single : A 4 ASN : amide:sc= -0.736 K(o=-0.74,f=-3.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.688 K(o=-0.69,f=-5.8!) USER MOD Single : A 23 TYR OH : rot -81:sc= 0.743 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.3) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 52:sc= 1.16 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0429 K(o=-0.043,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0028 F(o=-1.1,f=-0.0028) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 129:sc= 2.07 USER MOD Single : A 96 TYR OH : rot 165:sc= 0.959 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 111:sc= 0.995 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0647 USER MOD Single : A 104 THR OG1 : rot 59:sc= 0.933 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.223 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 7.697 -0.316 10.548 1.00 0.00 N ATOM 28 CA ILE A 3 6.284 -0.655 10.572 1.00 0.00 C ATOM 29 C ILE A 3 5.852 -1.117 9.179 1.00 0.00 C ATOM 30 O ILE A 3 5.982 -0.375 8.207 1.00 0.00 O ATOM 31 CB ILE A 3 5.462 0.515 11.116 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.864 0.847 12.554 1.00 0.00 C ATOM 33 CG2 ILE A 3 3.963 0.236 10.989 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.385 2.245 12.948 1.00 0.00 C ATOM 0 HA ILE A 3 6.102 -1.486 11.254 1.00 0.00 H new ATOM 0 HB ILE A 3 5.679 1.396 10.511 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.440 0.108 13.234 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.948 0.788 12.655 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.401 1.083 11.383 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.708 0.087 9.940 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.711 -0.661 11.554 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.684 2.456 13.975 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.830 2.984 12.281 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.299 2.293 12.869 1.00 0.00 H new ATOM 46 N ASN A 4 5.345 -2.340 9.127 1.00 0.00 N ATOM 47 CA ASN A 4 5.122 -3.004 7.854 1.00 0.00 C ATOM 48 C ASN A 4 4.094 -4.122 8.041 1.00 0.00 C ATOM 49 O ASN A 4 4.205 -5.181 7.424 1.00 0.00 O ATOM 50 CB ASN A 4 6.413 -3.632 7.326 1.00 0.00 C ATOM 51 CG ASN A 4 6.870 -4.784 8.223 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.785 -5.949 7.872 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.357 -4.395 9.398 1.00 0.00 N ATOM 0 H ASN A 4 5.082 -2.888 9.946 1.00 0.00 H new ATOM 0 HA ASN A 4 4.767 -2.259 7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.255 -3.997 6.311 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.195 -2.875 7.274 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.688 -5.089 10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.400 -3.402 9.629 1.00 0.00 H new ATOM 60 N THR A 5 3.118 -3.849 8.893 1.00 0.00 N ATOM 61 CA THR A 5 2.027 -4.785 9.107 1.00 0.00 C ATOM 62 C THR A 5 0.687 -4.127 8.773 1.00 0.00 C ATOM 63 O THR A 5 0.609 -2.908 8.625 1.00 0.00 O ATOM 64 CB THR A 5 2.113 -5.291 10.548 1.00 0.00 C ATOM 65 OG1 THR A 5 2.040 -4.106 11.337 1.00 0.00 O ATOM 66 CG2 THR A 5 3.486 -5.877 10.882 1.00 0.00 C ATOM 0 H THR A 5 3.059 -2.993 9.444 1.00 0.00 H new ATOM 0 HA THR A 5 2.107 -5.644 8.441 1.00 0.00 H new ATOM 0 HB THR A 5 1.346 -6.047 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.087 -4.342 12.287 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.493 -6.221 11.916 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.694 -6.717 10.219 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.250 -5.111 10.749 1.00 0.00 H new ATOM 74 N PHE A 6 -0.336 -4.963 8.663 1.00 0.00 N ATOM 75 CA PHE A 6 -1.657 -4.484 8.295 1.00 0.00 C ATOM 76 C PHE A 6 -2.205 -3.520 9.349 1.00 0.00 C ATOM 77 O PHE A 6 -2.685 -2.438 9.016 1.00 0.00 O ATOM 78 CB PHE A 6 -2.571 -5.709 8.217 1.00 0.00 C ATOM 79 CG PHE A 6 -2.255 -6.648 7.051 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.397 -6.214 5.770 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.832 -7.917 7.296 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.104 -7.085 4.688 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.539 -8.789 6.214 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.681 -8.354 4.933 1.00 0.00 C ATOM 0 H PHE A 6 -0.276 -5.969 8.822 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.608 -3.951 7.345 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.494 -6.267 9.150 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.604 -5.374 8.130 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.733 -5.206 5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.719 -8.262 8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.217 -6.740 3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.204 -9.797 6.408 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.458 -9.017 4.110 1.00 0.00 H new ATOM 94 N ASP A 7 -2.115 -3.948 10.600 1.00 0.00 N ATOM 95 CA ASP A 7 -2.607 -3.142 11.704 1.00 0.00 C ATOM 96 C ASP A 7 -1.683 -1.939 11.903 1.00 0.00 C ATOM 97 O ASP A 7 -2.148 -0.834 12.179 1.00 0.00 O ATOM 98 CB ASP A 7 -2.626 -3.944 13.006 1.00 0.00 C ATOM 99 CG ASP A 7 -3.423 -5.249 12.951 1.00 0.00 C ATOM 100 OD1 ASP A 7 -2.935 -6.185 12.283 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.504 -5.280 13.579 1.00 0.00 O ATOM 0 H ASP A 7 -1.709 -4.843 10.873 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.621 -2.823 11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.599 -4.175 13.288 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.040 -3.316 13.796 1.00 0.00 H new ATOM 106 N GLY A 8 -0.392 -2.194 11.755 1.00 0.00 N ATOM 107 CA GLY A 8 0.612 -1.204 12.106 1.00 0.00 C ATOM 108 C GLY A 8 0.541 0.005 11.170 1.00 0.00 C ATOM 109 O GLY A 8 0.486 1.145 11.626 1.00 0.00 O ATOM 0 H GLY A 8 -0.017 -3.072 11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.464 -0.880 13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.604 -1.652 12.052 1.00 0.00 H new ATOM 113 N VAL A 9 0.545 -0.287 9.877 1.00 0.00 N ATOM 114 CA VAL A 9 0.538 0.762 8.873 1.00 0.00 C ATOM 115 C VAL A 9 -0.796 1.509 8.931 1.00 0.00 C ATOM 116 O VAL A 9 -0.833 2.732 8.803 1.00 0.00 O ATOM 117 CB VAL A 9 0.831 0.169 7.493 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.626 1.212 6.393 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.244 -0.416 7.437 1.00 0.00 C ATOM 0 H VAL A 9 0.553 -1.236 9.502 1.00 0.00 H new ATOM 0 HA VAL A 9 1.326 1.487 9.074 1.00 0.00 H new ATOM 0 HB VAL A 9 0.125 -0.643 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.841 0.764 5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.406 1.561 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.297 2.054 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.427 -0.831 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.971 0.370 7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.341 -1.204 8.184 1.00 0.00 H new ATOM 129 N ALA A 10 -1.859 0.742 9.125 1.00 0.00 N ATOM 130 CA ALA A 10 -3.189 1.318 9.224 1.00 0.00 C ATOM 131 C ALA A 10 -3.206 2.361 10.343 1.00 0.00 C ATOM 132 O ALA A 10 -3.770 3.443 10.180 1.00 0.00 O ATOM 133 CB ALA A 10 -4.213 0.204 9.450 1.00 0.00 C ATOM 0 H ALA A 10 -1.826 -0.273 9.216 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.458 1.824 8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.211 0.637 9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.182 -0.494 8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.977 -0.325 10.373 1.00 0.00 H new ATOM 139 N ASP A 11 -2.583 2.000 11.455 1.00 0.00 N ATOM 140 CA ASP A 11 -2.567 2.868 12.620 1.00 0.00 C ATOM 141 C ASP A 11 -1.764 4.131 12.299 1.00 0.00 C ATOM 142 O ASP A 11 -2.150 5.232 12.689 1.00 0.00 O ATOM 143 CB ASP A 11 -1.903 2.177 13.813 1.00 0.00 C ATOM 144 CG ASP A 11 -2.859 1.761 14.933 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.093 2.608 15.822 1.00 0.00 O ATOM 146 OD2 ASP A 11 -3.333 0.606 14.875 1.00 0.00 O ATOM 0 H ASP A 11 -2.085 1.118 11.574 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.599 3.112 12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.379 1.291 13.455 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.150 2.846 14.228 1.00 0.00 H new ATOM 151 N TYR A 12 -0.663 3.929 11.590 1.00 0.00 N ATOM 152 CA TYR A 12 0.260 5.017 11.316 1.00 0.00 C ATOM 153 C TYR A 12 -0.365 6.040 10.365 1.00 0.00 C ATOM 154 O TYR A 12 -0.123 7.239 10.490 1.00 0.00 O ATOM 155 CB TYR A 12 1.473 4.380 10.635 1.00 0.00 C ATOM 156 CG TYR A 12 2.711 5.278 10.601 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.894 6.162 9.557 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.645 5.204 11.615 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.060 7.007 9.526 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.810 6.049 11.584 1.00 0.00 C ATOM 161 CZ TYR A 12 4.960 6.909 10.540 1.00 0.00 C ATOM 162 OH TYR A 12 6.061 7.707 10.511 1.00 0.00 O ATOM 0 H TYR A 12 -0.390 3.028 11.197 1.00 0.00 H new ATOM 0 HA TYR A 12 0.523 5.538 12.237 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.723 3.454 11.153 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.204 4.111 9.614 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.163 6.220 8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.502 4.512 12.432 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.216 7.703 8.715 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.548 6.002 12.371 1.00 0.00 H new ATOM 0 HH TYR A 12 6.615 7.529 11.300 1.00 0.00 H new ATOM 172 N LEU A 13 -1.158 5.528 9.434 1.00 0.00 N ATOM 173 CA LEU A 13 -1.955 6.386 8.575 1.00 0.00 C ATOM 174 C LEU A 13 -2.856 7.270 9.439 1.00 0.00 C ATOM 175 O LEU A 13 -2.780 8.496 9.370 1.00 0.00 O ATOM 176 CB LEU A 13 -2.717 5.553 7.543 1.00 0.00 C ATOM 177 CG LEU A 13 -1.911 5.086 6.329 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.290 3.657 5.936 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.065 6.062 5.161 1.00 0.00 C ATOM 0 H LEU A 13 -1.265 4.529 9.256 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.312 7.052 8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.124 4.674 8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.565 6.138 7.188 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.856 5.075 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.703 3.350 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.087 2.985 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.351 3.617 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.482 5.707 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.116 6.128 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.707 7.047 5.460 1.00 0.00 H new ATOM 191 N ILE A 14 -3.689 6.613 10.233 1.00 0.00 N ATOM 192 CA ILE A 14 -4.691 7.319 11.015 1.00 0.00 C ATOM 193 C ILE A 14 -4.008 8.403 11.851 1.00 0.00 C ATOM 194 O ILE A 14 -4.529 9.510 11.983 1.00 0.00 O ATOM 195 CB ILE A 14 -5.516 6.332 11.843 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.477 5.540 10.954 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.247 7.048 12.981 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.739 6.350 10.652 1.00 0.00 C ATOM 0 H ILE A 14 -3.691 5.600 10.352 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.402 7.822 10.360 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.834 5.615 12.299 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.980 5.274 10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.749 4.607 11.447 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.826 6.324 13.554 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.520 7.530 13.634 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.917 7.801 12.566 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.405 5.764 10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.247 6.593 11.585 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.466 7.271 10.137 1.00 0.00 H new ATOM 210 N ARG A 15 -2.853 8.048 12.394 1.00 0.00 N ATOM 211 CA ARG A 15 -2.168 8.920 13.332 1.00 0.00 C ATOM 212 C ARG A 15 -1.563 10.119 12.598 1.00 0.00 C ATOM 213 O ARG A 15 -1.998 11.253 12.790 1.00 0.00 O ATOM 214 CB ARG A 15 -1.058 8.170 14.071 1.00 0.00 C ATOM 215 CG ARG A 15 -0.911 8.682 15.505 1.00 0.00 C ATOM 216 CD ARG A 15 0.219 7.953 16.235 1.00 0.00 C ATOM 217 NE ARG A 15 0.364 8.488 17.607 1.00 0.00 N ATOM 218 CZ ARG A 15 1.329 8.119 18.460 1.00 0.00 C ATOM 219 NH1 ARG A 15 2.226 7.192 18.096 1.00 0.00 N ATOM 220 NH2 ARG A 15 1.398 8.676 19.676 1.00 0.00 N ATOM 0 H ARG A 15 -2.374 7.168 12.202 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.902 9.267 14.059 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.281 7.103 14.083 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.115 8.293 13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.710 9.753 15.494 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.848 8.540 16.044 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.008 6.884 16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.154 8.074 15.688 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.314 9.182 17.923 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.174 6.768 17.170 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.961 6.911 18.745 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.716 9.382 19.953 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.133 8.395 20.325 1.00 0.00 H new ATOM 234 N TYR A 16 -0.568 9.826 11.773 1.00 0.00 N ATOM 235 CA TYR A 16 0.288 10.869 11.233 1.00 0.00 C ATOM 236 C TYR A 16 -0.246 11.377 9.892 1.00 0.00 C ATOM 237 O TYR A 16 0.270 12.350 9.344 1.00 0.00 O ATOM 238 CB TYR A 16 1.655 10.219 11.011 1.00 0.00 C ATOM 239 CG TYR A 16 2.339 9.753 12.298 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.841 10.681 13.188 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.453 8.405 12.570 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.484 10.242 14.399 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.096 7.966 13.781 1.00 0.00 C ATOM 244 CZ TYR A 16 3.580 8.907 14.636 1.00 0.00 C ATOM 245 OH TYR A 16 4.188 8.492 15.780 1.00 0.00 O ATOM 0 H TYR A 16 -0.336 8.882 11.466 1.00 0.00 H new ATOM 0 HA TYR A 16 0.335 11.719 11.914 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.536 9.364 10.345 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.306 10.930 10.503 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.751 11.736 12.976 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.060 7.679 11.874 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.881 10.958 15.104 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.192 6.914 14.006 1.00 0.00 H new ATOM 0 HH TYR A 16 4.183 7.513 15.816 1.00 0.00 H new ATOM 255 N LYS A 17 -1.271 10.696 9.403 1.00 0.00 N ATOM 256 CA LYS A 17 -1.865 11.052 8.125 1.00 0.00 C ATOM 257 C LYS A 17 -0.805 10.943 7.027 1.00 0.00 C ATOM 258 O LYS A 17 -0.676 11.839 6.194 1.00 0.00 O ATOM 259 CB LYS A 17 -2.527 12.429 8.208 1.00 0.00 C ATOM 260 CG LYS A 17 -3.600 12.457 9.298 1.00 0.00 C ATOM 261 CD LYS A 17 -4.412 13.752 9.234 1.00 0.00 C ATOM 262 CE LYS A 17 -3.592 14.939 9.746 1.00 0.00 C ATOM 263 NZ LYS A 17 -4.436 16.151 9.836 1.00 0.00 N ATOM 0 H LYS A 17 -1.706 9.899 9.868 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.663 10.356 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.772 13.187 8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.974 12.680 7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.264 11.601 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.131 12.366 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.726 13.938 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.318 13.647 9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.175 14.705 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.751 15.123 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.865 16.947 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.813 16.382 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.224 15.977 10.492 1.00 0.00 H new ATOM 277 N ARG A 18 -0.074 9.839 7.062 1.00 0.00 N ATOM 278 CA ARG A 18 0.771 9.466 5.941 1.00 0.00 C ATOM 279 C ARG A 18 1.187 7.998 6.055 1.00 0.00 C ATOM 280 O ARG A 18 0.881 7.338 7.047 1.00 0.00 O ATOM 281 CB ARG A 18 2.025 10.341 5.881 1.00 0.00 C ATOM 282 CG ARG A 18 2.673 10.465 7.261 1.00 0.00 C ATOM 283 CD ARG A 18 4.125 10.935 7.144 1.00 0.00 C ATOM 284 NE ARG A 18 4.793 10.844 8.462 1.00 0.00 N ATOM 285 CZ ARG A 18 6.089 11.115 8.667 1.00 0.00 C ATOM 286 NH1 ARG A 18 6.856 11.530 7.649 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.619 10.971 9.889 1.00 0.00 N ATOM 0 H ARG A 18 -0.049 9.191 7.849 1.00 0.00 H new ATOM 0 HA ARG A 18 0.194 9.614 5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.739 9.912 5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.764 11.331 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.107 11.169 7.871 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.638 9.502 7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.656 10.324 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.155 11.963 6.782 1.00 0.00 H new ATOM 0 HE ARG A 18 4.232 10.557 9.264 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.453 11.639 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.843 11.736 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.036 10.655 10.664 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.606 11.177 10.045 1.00 0.00 H new ATOM 301 N LEU A 19 1.878 7.529 5.026 1.00 0.00 N ATOM 302 CA LEU A 19 2.572 6.256 5.108 1.00 0.00 C ATOM 303 C LEU A 19 3.829 6.419 5.965 1.00 0.00 C ATOM 304 O LEU A 19 4.272 7.538 6.215 1.00 0.00 O ATOM 305 CB LEU A 19 2.849 5.706 3.707 1.00 0.00 C ATOM 306 CG LEU A 19 1.647 5.116 2.968 1.00 0.00 C ATOM 307 CD1 LEU A 19 2.013 4.753 1.527 1.00 0.00 C ATOM 308 CD2 LEU A 19 1.066 3.922 3.729 1.00 0.00 C ATOM 0 H LEU A 19 1.972 8.009 4.131 1.00 0.00 H new ATOM 0 HA LEU A 19 1.946 5.511 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.266 6.509 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.616 4.935 3.786 1.00 0.00 H new ATOM 0 HG LEU A 19 0.869 5.878 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.141 4.336 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.343 5.648 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.817 4.017 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.213 3.522 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.828 3.149 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.743 4.244 4.719 1.00 0.00 H new ATOM 320 N PRO A 20 4.381 5.255 6.402 1.00 0.00 N ATOM 321 CA PRO A 20 5.726 5.226 6.951 1.00 0.00 C ATOM 322 C PRO A 20 6.774 5.348 5.843 1.00 0.00 C ATOM 323 O PRO A 20 6.457 5.198 4.664 1.00 0.00 O ATOM 324 CB PRO A 20 5.813 3.911 7.709 1.00 0.00 C ATOM 325 CG PRO A 20 4.684 3.045 7.172 1.00 0.00 C ATOM 326 CD PRO A 20 3.743 3.942 6.384 1.00 0.00 C ATOM 0 HA PRO A 20 5.928 6.067 7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.780 3.433 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.706 4.071 8.782 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.080 2.254 6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.153 2.560 7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.612 3.580 5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.754 3.976 6.840 1.00 0.00 H new ATOM 334 N ASP A 21 8.002 5.618 6.261 1.00 0.00 N ATOM 335 CA ASP A 21 9.037 6.027 5.327 1.00 0.00 C ATOM 336 C ASP A 21 9.770 4.787 4.811 1.00 0.00 C ATOM 337 O ASP A 21 10.752 4.901 4.079 1.00 0.00 O ATOM 338 CB ASP A 21 10.065 6.934 6.006 1.00 0.00 C ATOM 339 CG ASP A 21 11.057 7.610 5.058 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.588 8.419 4.228 1.00 0.00 O ATOM 341 OD2 ASP A 21 12.262 7.304 5.185 1.00 0.00 O ATOM 0 H ASP A 21 8.303 5.561 7.234 1.00 0.00 H new ATOM 0 HA ASP A 21 8.560 6.570 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.534 7.706 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.624 6.344 6.732 1.00 0.00 H new ATOM 346 N ASN A 22 9.264 3.630 5.212 1.00 0.00 N ATOM 347 CA ASN A 22 9.834 2.369 4.767 1.00 0.00 C ATOM 348 C ASN A 22 9.262 2.012 3.394 1.00 0.00 C ATOM 349 O ASN A 22 9.633 0.996 2.809 1.00 0.00 O ATOM 350 CB ASN A 22 9.486 1.236 5.734 1.00 0.00 C ATOM 351 CG ASN A 22 7.984 0.943 5.718 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.161 1.802 5.448 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.675 -0.315 6.020 1.00 0.00 N ATOM 0 H ASN A 22 8.466 3.539 5.840 1.00 0.00 H new ATOM 0 HA ASN A 22 10.917 2.485 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.038 0.337 5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.797 1.506 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.699 -0.611 6.035 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.414 -0.984 6.236 1.00 0.00 H new ATOM 360 N TYR A 23 8.368 2.867 2.920 1.00 0.00 N ATOM 361 CA TYR A 23 7.854 2.740 1.567 1.00 0.00 C ATOM 362 C TYR A 23 8.310 3.911 0.695 1.00 0.00 C ATOM 363 O TYR A 23 8.108 5.071 1.052 1.00 0.00 O ATOM 364 CB TYR A 23 6.329 2.774 1.690 1.00 0.00 C ATOM 365 CG TYR A 23 5.748 1.642 2.539 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.332 0.392 2.517 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.639 1.872 3.328 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.785 -0.673 3.317 1.00 0.00 C ATOM 369 CE2 TYR A 23 4.091 0.807 4.128 1.00 0.00 C ATOM 370 CZ TYR A 23 4.691 -0.413 4.083 1.00 0.00 C ATOM 371 OH TYR A 23 4.174 -1.419 4.838 1.00 0.00 O ATOM 0 H TYR A 23 7.986 3.651 3.449 1.00 0.00 H new ATOM 0 HA TYR A 23 8.216 1.822 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.031 3.729 2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.893 2.726 0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.200 0.212 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.182 2.850 3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.233 -1.656 3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.223 0.973 4.749 1.00 0.00 H new ATOM 0 HH TYR A 23 3.604 -1.988 4.279 1.00 0.00 H new ATOM 381 N ILE A 24 8.917 3.567 -0.432 1.00 0.00 N ATOM 382 CA ILE A 24 9.175 4.548 -1.472 1.00 0.00 C ATOM 383 C ILE A 24 8.189 4.337 -2.622 1.00 0.00 C ATOM 384 O ILE A 24 7.546 3.292 -2.709 1.00 0.00 O ATOM 385 CB ILE A 24 10.642 4.499 -1.903 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.998 3.128 -2.481 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.566 4.892 -0.749 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.298 3.193 -3.286 1.00 0.00 C ATOM 0 H ILE A 24 9.237 2.623 -0.647 1.00 0.00 H new ATOM 0 HA ILE A 24 9.012 5.557 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 24 10.789 5.231 -2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.103 2.405 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.188 2.777 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.603 4.849 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.331 5.906 -0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.423 4.202 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.528 2.205 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.182 3.899 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.111 3.521 -2.638 1.00 0.00 H new ATOM 400 N THR A 25 8.100 5.345 -3.477 1.00 0.00 N ATOM 401 CA THR A 25 7.174 5.299 -4.596 1.00 0.00 C ATOM 402 C THR A 25 7.785 4.519 -5.762 1.00 0.00 C ATOM 403 O THR A 25 8.994 4.297 -5.799 1.00 0.00 O ATOM 404 CB THR A 25 6.798 6.737 -4.958 1.00 0.00 C ATOM 405 OG1 THR A 25 7.963 7.493 -4.635 1.00 0.00 O ATOM 406 CG2 THR A 25 5.717 7.309 -4.038 1.00 0.00 C ATOM 0 H THR A 25 8.654 6.199 -3.417 1.00 0.00 H new ATOM 0 HA THR A 25 6.261 4.766 -4.332 1.00 0.00 H new ATOM 0 HB THR A 25 6.452 6.772 -5.991 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.807 8.438 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.487 8.331 -4.338 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.817 6.699 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.076 7.305 -3.009 1.00 0.00 H new ATOM 414 N LYS A 26 6.920 4.125 -6.685 1.00 0.00 N ATOM 415 CA LYS A 26 7.372 3.472 -7.902 1.00 0.00 C ATOM 416 C LYS A 26 8.474 4.312 -8.548 1.00 0.00 C ATOM 417 O LYS A 26 9.509 3.782 -8.950 1.00 0.00 O ATOM 418 CB LYS A 26 6.188 3.192 -8.830 1.00 0.00 C ATOM 419 CG LYS A 26 5.307 2.072 -8.273 1.00 0.00 C ATOM 420 CD LYS A 26 3.934 2.067 -8.948 1.00 0.00 C ATOM 421 CE LYS A 26 3.017 1.018 -8.317 1.00 0.00 C ATOM 422 NZ LYS A 26 1.625 1.196 -8.787 1.00 0.00 N ATOM 0 H LYS A 26 5.910 4.245 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 26 7.806 2.499 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.595 4.099 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.554 2.914 -9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.795 1.110 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.187 2.200 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.478 3.053 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.049 1.862 -10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.368 0.018 -8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.054 1.101 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.016 0.476 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.287 2.143 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.592 1.094 -9.822 1.00 0.00 H new ATOM 436 N SER A 27 8.216 5.609 -8.628 1.00 0.00 N ATOM 437 CA SER A 27 9.089 6.503 -9.370 1.00 0.00 C ATOM 438 C SER A 27 10.510 6.432 -8.807 1.00 0.00 C ATOM 439 O SER A 27 11.482 6.468 -9.560 1.00 0.00 O ATOM 440 CB SER A 27 8.572 7.942 -9.326 1.00 0.00 C ATOM 441 OG SER A 27 7.240 8.045 -9.822 1.00 0.00 O ATOM 0 H SER A 27 7.414 6.063 -8.191 1.00 0.00 H new ATOM 0 HA SER A 27 9.100 6.182 -10.412 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.606 8.309 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.229 8.582 -9.915 1.00 0.00 H new ATOM 0 HG SER A 27 6.945 8.978 -9.776 1.00 0.00 H new ATOM 447 N GLN A 28 10.585 6.333 -7.488 1.00 0.00 N ATOM 448 CA GLN A 28 11.870 6.338 -6.809 1.00 0.00 C ATOM 449 C GLN A 28 12.633 5.046 -7.108 1.00 0.00 C ATOM 450 O GLN A 28 13.817 5.082 -7.441 1.00 0.00 O ATOM 451 CB GLN A 28 11.693 6.534 -5.302 1.00 0.00 C ATOM 452 CG GLN A 28 11.153 7.931 -4.991 1.00 0.00 C ATOM 453 CD GLN A 28 12.229 8.996 -5.211 1.00 0.00 C ATOM 454 OE1 GLN A 28 13.419 8.728 -5.186 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.746 10.216 -5.429 1.00 0.00 N ATOM 0 H GLN A 28 9.777 6.249 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 28 12.455 7.178 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.009 5.781 -4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.649 6.389 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.292 8.142 -5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.805 7.969 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.738 10.372 -5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.384 10.996 -5.588 1.00 0.00 H new ATOM 464 N ALA A 29 11.924 3.934 -6.979 1.00 0.00 N ATOM 465 CA ALA A 29 12.519 2.633 -7.233 1.00 0.00 C ATOM 466 C ALA A 29 13.000 2.571 -8.684 1.00 0.00 C ATOM 467 O ALA A 29 14.086 2.064 -8.961 1.00 0.00 O ATOM 468 CB ALA A 29 11.505 1.535 -6.907 1.00 0.00 C ATOM 0 H ALA A 29 10.943 3.907 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 29 13.386 2.476 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.952 0.559 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.219 1.604 -5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.621 1.658 -7.533 1.00 0.00 H new ATOM 474 N SER A 30 12.168 3.095 -9.572 1.00 0.00 N ATOM 475 CA SER A 30 12.412 2.958 -10.998 1.00 0.00 C ATOM 476 C SER A 30 13.632 3.789 -11.401 1.00 0.00 C ATOM 477 O SER A 30 14.435 3.358 -12.227 1.00 0.00 O ATOM 478 CB SER A 30 11.188 3.385 -11.810 1.00 0.00 C ATOM 479 OG SER A 30 10.388 2.270 -12.194 1.00 0.00 O ATOM 0 H SER A 30 11.324 3.615 -9.332 1.00 0.00 H new ATOM 0 HA SER A 30 12.608 1.907 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.586 4.078 -11.222 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.513 3.922 -12.701 1.00 0.00 H new ATOM 0 HG SER A 30 9.615 2.584 -12.709 1.00 0.00 H new ATOM 485 N ALA A 31 13.733 4.965 -10.800 1.00 0.00 N ATOM 486 CA ALA A 31 14.878 5.829 -11.033 1.00 0.00 C ATOM 487 C ALA A 31 16.161 5.077 -10.674 1.00 0.00 C ATOM 488 O ALA A 31 17.174 5.208 -11.359 1.00 0.00 O ATOM 489 CB ALA A 31 14.714 7.121 -10.229 1.00 0.00 C ATOM 0 H ALA A 31 13.041 5.340 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 31 14.943 6.106 -12.085 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.573 7.769 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.804 7.632 -10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.649 6.883 -9.167 1.00 0.00 H new ATOM 495 N LEU A 32 16.075 4.306 -9.600 1.00 0.00 N ATOM 496 CA LEU A 32 17.233 3.578 -9.108 1.00 0.00 C ATOM 497 C LEU A 32 17.502 2.379 -10.019 1.00 0.00 C ATOM 498 O LEU A 32 18.596 1.818 -10.006 1.00 0.00 O ATOM 499 CB LEU A 32 17.043 3.202 -7.637 1.00 0.00 C ATOM 500 CG LEU A 32 16.989 4.368 -6.648 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.379 3.929 -5.315 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.372 4.996 -6.465 1.00 0.00 C ATOM 0 H LEU A 32 15.222 4.169 -9.057 1.00 0.00 H new ATOM 0 HA LEU A 32 18.121 4.209 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.119 2.631 -7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.858 2.540 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 32 16.338 5.137 -7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.352 4.777 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.365 3.565 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.984 3.132 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.306 5.822 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 19.065 4.246 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.733 5.368 -7.424 1.00 0.00 H new ATOM 514 N GLY A 33 16.484 2.022 -10.789 1.00 0.00 N ATOM 515 CA GLY A 33 16.670 1.092 -11.891 1.00 0.00 C ATOM 516 C GLY A 33 15.904 -0.209 -11.645 1.00 0.00 C ATOM 517 O GLY A 33 16.135 -1.208 -12.325 1.00 0.00 O ATOM 0 H GLY A 33 15.529 2.359 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.328 1.550 -12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.731 0.876 -12.014 1.00 0.00 H new ATOM 521 N TRP A 34 15.009 -0.156 -10.669 1.00 0.00 N ATOM 522 CA TRP A 34 14.096 -1.261 -10.431 1.00 0.00 C ATOM 523 C TRP A 34 13.189 -1.398 -11.656 1.00 0.00 C ATOM 524 O TRP A 34 12.809 -0.399 -12.266 1.00 0.00 O ATOM 525 CB TRP A 34 13.317 -1.058 -9.130 1.00 0.00 C ATOM 526 CG TRP A 34 12.075 -1.943 -9.003 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.022 -3.266 -8.794 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.700 -1.512 -9.086 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.720 -3.717 -8.737 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.890 -2.617 -8.920 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.159 -0.231 -9.295 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.492 -2.552 -8.945 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.760 -0.184 -9.318 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.931 -1.286 -9.152 1.00 0.00 C ATOM 0 H TRP A 34 14.897 0.635 -10.034 1.00 0.00 H new ATOM 0 HA TRP A 34 14.645 -2.193 -10.299 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.979 -1.256 -8.287 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.015 -0.013 -9.059 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.890 -3.899 -8.684 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.421 -4.681 -8.588 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.774 0.647 -9.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.879 -3.431 -8.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.292 0.777 -9.476 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.858 -1.167 -9.182 1.00 0.00 H new ATOM 545 N VAL A 35 12.867 -2.642 -11.979 1.00 0.00 N ATOM 546 CA VAL A 35 11.821 -2.917 -12.949 1.00 0.00 C ATOM 547 C VAL A 35 10.854 -3.952 -12.370 1.00 0.00 C ATOM 548 O VAL A 35 11.272 -4.873 -11.669 1.00 0.00 O ATOM 549 CB VAL A 35 12.441 -3.354 -14.277 1.00 0.00 C ATOM 550 CG1 VAL A 35 11.383 -3.420 -15.380 1.00 0.00 C ATOM 551 CG2 VAL A 35 13.592 -2.429 -14.676 1.00 0.00 C ATOM 0 H VAL A 35 13.312 -3.471 -11.586 1.00 0.00 H new ATOM 0 HA VAL A 35 11.245 -2.015 -13.156 1.00 0.00 H new ATOM 0 HB VAL A 35 12.848 -4.356 -14.143 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.850 -3.733 -16.314 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.611 -4.138 -15.102 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.933 -2.436 -15.512 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.015 -2.762 -15.624 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.220 -1.410 -14.783 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.363 -2.454 -13.906 1.00 0.00 H new ATOM 561 N ALA A 36 9.581 -3.766 -12.685 1.00 0.00 N ATOM 562 CA ALA A 36 8.549 -4.661 -12.188 1.00 0.00 C ATOM 563 C ALA A 36 8.462 -5.887 -13.099 1.00 0.00 C ATOM 564 O ALA A 36 7.418 -6.152 -13.691 1.00 0.00 O ATOM 565 CB ALA A 36 7.220 -3.907 -12.097 1.00 0.00 C ATOM 0 H ALA A 36 9.240 -3.009 -13.278 1.00 0.00 H new ATOM 0 HA ALA A 36 8.795 -5.011 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.446 -4.578 -11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.327 -3.062 -11.416 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.940 -3.543 -13.085 1.00 0.00 H new ATOM 571 N SER A 37 9.574 -6.603 -13.181 1.00 0.00 N ATOM 572 CA SER A 37 9.674 -7.729 -14.095 1.00 0.00 C ATOM 573 C SER A 37 11.061 -8.366 -13.990 1.00 0.00 C ATOM 574 O SER A 37 11.180 -9.583 -13.861 1.00 0.00 O ATOM 575 CB SER A 37 9.396 -7.295 -15.535 1.00 0.00 C ATOM 576 OG SER A 37 8.033 -7.498 -15.900 1.00 0.00 O ATOM 0 H SER A 37 10.414 -6.425 -12.630 1.00 0.00 H new ATOM 0 HA SER A 37 8.921 -8.466 -13.815 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.649 -6.241 -15.651 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.040 -7.855 -16.213 1.00 0.00 H new ATOM 0 HG SER A 37 7.450 -7.086 -15.229 1.00 0.00 H new ATOM 582 N LYS A 38 12.074 -7.515 -14.050 1.00 0.00 N ATOM 583 CA LYS A 38 13.449 -7.984 -14.015 1.00 0.00 C ATOM 584 C LYS A 38 14.216 -7.223 -12.933 1.00 0.00 C ATOM 585 O LYS A 38 14.118 -6.000 -12.841 1.00 0.00 O ATOM 586 CB LYS A 38 14.084 -7.886 -15.404 1.00 0.00 C ATOM 587 CG LYS A 38 15.389 -8.681 -15.468 1.00 0.00 C ATOM 588 CD LYS A 38 15.119 -10.154 -15.785 1.00 0.00 C ATOM 589 CE LYS A 38 15.015 -10.378 -17.295 1.00 0.00 C ATOM 590 NZ LYS A 38 16.362 -10.507 -17.894 1.00 0.00 N ATOM 0 H LYS A 38 11.970 -6.503 -14.123 1.00 0.00 H new ATOM 0 HA LYS A 38 13.484 -9.040 -13.747 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.388 -8.262 -16.153 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.278 -6.841 -15.646 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.041 -8.255 -16.230 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.915 -8.601 -14.517 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.920 -10.771 -15.376 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.195 -10.470 -15.302 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.434 -11.278 -17.496 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.484 -9.546 -17.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.273 -10.659 -18.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.905 -9.637 -17.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.856 -11.316 -17.466 1.00 0.00 H new ATOM 604 N GLY A 39 14.963 -7.977 -12.140 1.00 0.00 N ATOM 605 CA GLY A 39 15.700 -7.396 -11.031 1.00 0.00 C ATOM 606 C GLY A 39 14.766 -7.063 -9.866 1.00 0.00 C ATOM 607 O GLY A 39 14.094 -6.033 -9.879 1.00 0.00 O ATOM 0 H GLY A 39 15.074 -8.986 -12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.470 -8.092 -10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.210 -6.492 -11.363 1.00 0.00 H new ATOM 611 N ASN A 40 14.754 -7.955 -8.886 1.00 0.00 N ATOM 612 CA ASN A 40 13.878 -7.793 -7.738 1.00 0.00 C ATOM 613 C ASN A 40 14.242 -6.502 -7.002 1.00 0.00 C ATOM 614 O ASN A 40 15.310 -5.935 -7.226 1.00 0.00 O ATOM 615 CB ASN A 40 14.036 -8.956 -6.756 1.00 0.00 C ATOM 616 CG ASN A 40 15.471 -9.040 -6.231 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.385 -9.471 -6.914 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.616 -8.604 -4.983 1.00 0.00 N ATOM 0 H ASN A 40 15.337 -8.792 -8.863 1.00 0.00 H new ATOM 0 HA ASN A 40 12.850 -7.763 -8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.347 -8.828 -5.921 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.770 -9.891 -7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.535 -8.618 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.808 -8.256 -4.467 1.00 0.00 H new ATOM 625 N LEU A 41 13.332 -6.074 -6.139 1.00 0.00 N ATOM 626 CA LEU A 41 13.401 -4.733 -5.583 1.00 0.00 C ATOM 627 C LEU A 41 14.660 -4.607 -4.723 1.00 0.00 C ATOM 628 O LEU A 41 15.522 -3.773 -4.997 1.00 0.00 O ATOM 629 CB LEU A 41 12.109 -4.397 -4.834 1.00 0.00 C ATOM 630 CG LEU A 41 11.889 -2.919 -4.506 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.735 -2.091 -5.783 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.702 -2.738 -3.559 1.00 0.00 C ATOM 0 H LEU A 41 12.543 -6.632 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 41 13.483 -3.994 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.266 -4.746 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.096 -4.962 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 41 12.773 -2.549 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.580 -1.044 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.637 -2.184 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.878 -2.454 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.568 -1.678 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.799 -3.130 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.892 -3.277 -2.631 1.00 0.00 H new ATOM 644 N ALA A 42 14.727 -5.446 -3.700 1.00 0.00 N ATOM 645 CA ALA A 42 15.720 -5.274 -2.654 1.00 0.00 C ATOM 646 C ALA A 42 17.107 -5.151 -3.289 1.00 0.00 C ATOM 647 O ALA A 42 17.988 -4.491 -2.740 1.00 0.00 O ATOM 648 CB ALA A 42 15.632 -6.441 -1.669 1.00 0.00 C ATOM 0 H ALA A 42 14.109 -6.248 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 42 15.531 -4.359 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.377 -6.312 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.637 -6.467 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.819 -7.377 -2.196 1.00 0.00 H new ATOM 654 N GLU A 43 17.256 -5.795 -4.437 1.00 0.00 N ATOM 655 CA GLU A 43 18.539 -5.819 -5.120 1.00 0.00 C ATOM 656 C GLU A 43 18.975 -4.397 -5.479 1.00 0.00 C ATOM 657 O GLU A 43 20.122 -4.018 -5.245 1.00 0.00 O ATOM 658 CB GLU A 43 18.480 -6.705 -6.366 1.00 0.00 C ATOM 659 CG GLU A 43 19.858 -6.824 -7.020 1.00 0.00 C ATOM 660 CD GLU A 43 20.010 -5.819 -8.164 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.354 -6.039 -9.204 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.781 -4.854 -7.972 1.00 0.00 O ATOM 0 H GLU A 43 16.510 -6.304 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 43 19.280 -6.247 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.115 -7.696 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.770 -6.288 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.634 -6.652 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.998 -7.836 -7.399 1.00 0.00 H new ATOM 669 N VAL A 44 18.038 -3.649 -6.042 1.00 0.00 N ATOM 670 CA VAL A 44 18.354 -2.342 -6.593 1.00 0.00 C ATOM 671 C VAL A 44 18.182 -1.280 -5.505 1.00 0.00 C ATOM 672 O VAL A 44 19.005 -0.374 -5.381 1.00 0.00 O ATOM 673 CB VAL A 44 17.497 -2.074 -7.831 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.769 -0.679 -8.396 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.722 -3.150 -8.896 1.00 0.00 C ATOM 0 H VAL A 44 17.059 -3.923 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 44 19.393 -2.307 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 44 16.451 -2.114 -7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.146 -0.515 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.535 0.071 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 44 18.820 -0.598 -8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.101 -2.936 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.771 -3.156 -9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.454 -4.125 -8.490 1.00 0.00 H new ATOM 685 N ALA A 45 17.106 -1.426 -4.746 1.00 0.00 N ATOM 686 CA ALA A 45 16.760 -0.436 -3.739 1.00 0.00 C ATOM 687 C ALA A 45 16.379 -1.148 -2.440 1.00 0.00 C ATOM 688 O ALA A 45 15.204 -1.420 -2.199 1.00 0.00 O ATOM 689 CB ALA A 45 15.636 0.457 -4.266 1.00 0.00 C ATOM 0 H ALA A 45 16.462 -2.215 -4.808 1.00 0.00 H new ATOM 0 HA ALA A 45 17.613 0.207 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.377 1.199 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.968 0.963 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.761 -0.153 -4.490 1.00 0.00 H new ATOM 695 N PRO A 46 17.421 -1.437 -1.615 1.00 0.00 N ATOM 696 CA PRO A 46 17.225 -2.219 -0.407 1.00 0.00 C ATOM 697 C PRO A 46 16.549 -1.384 0.683 1.00 0.00 C ATOM 698 O PRO A 46 16.730 -0.169 0.741 1.00 0.00 O ATOM 699 CB PRO A 46 18.614 -2.693 -0.015 1.00 0.00 C ATOM 700 CG PRO A 46 19.587 -1.782 -0.746 1.00 0.00 C ATOM 701 CD PRO A 46 18.809 -1.028 -1.811 1.00 0.00 C ATOM 0 HA PRO A 46 16.557 -3.067 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.757 -2.632 1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.766 -3.734 -0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 46 20.054 -1.086 -0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.388 -2.365 -1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.924 0.050 -1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 46 19.159 -1.282 -2.812 1.00 0.00 H new ATOM 709 N GLY A 47 15.784 -2.069 1.520 1.00 0.00 N ATOM 710 CA GLY A 47 15.431 -1.531 2.822 1.00 0.00 C ATOM 711 C GLY A 47 14.022 -0.934 2.806 1.00 0.00 C ATOM 712 O GLY A 47 13.507 -0.519 3.843 1.00 0.00 O ATOM 0 H GLY A 47 15.399 -2.992 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.487 -2.320 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.151 -0.765 3.110 1.00 0.00 H new ATOM 716 N LYS A 48 13.438 -0.910 1.617 1.00 0.00 N ATOM 717 CA LYS A 48 12.132 -0.299 1.436 1.00 0.00 C ATOM 718 C LYS A 48 11.273 -1.196 0.543 1.00 0.00 C ATOM 719 O LYS A 48 11.797 -2.041 -0.182 1.00 0.00 O ATOM 720 CB LYS A 48 12.277 1.131 0.913 1.00 0.00 C ATOM 721 CG LYS A 48 12.826 2.059 1.999 1.00 0.00 C ATOM 722 CD LYS A 48 14.309 2.355 1.769 1.00 0.00 C ATOM 723 CE LYS A 48 14.890 3.174 2.924 1.00 0.00 C ATOM 724 NZ LYS A 48 16.325 3.454 2.689 1.00 0.00 N ATOM 0 H LYS A 48 13.845 -1.304 0.769 1.00 0.00 H new ATOM 0 HA LYS A 48 11.616 -0.213 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.943 1.141 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.309 1.497 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.262 2.992 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.691 1.599 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.859 1.419 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.434 2.900 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.342 4.111 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.768 2.630 3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.704 4.010 3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.846 2.557 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.434 3.991 1.805 1.00 0.00 H new ATOM 738 N SER A 49 9.968 -0.983 0.625 1.00 0.00 N ATOM 739 CA SER A 49 9.054 -1.554 -0.350 1.00 0.00 C ATOM 740 C SER A 49 8.411 -0.440 -1.179 1.00 0.00 C ATOM 741 O SER A 49 8.764 0.730 -1.033 1.00 0.00 O ATOM 742 CB SER A 49 7.976 -2.397 0.333 1.00 0.00 C ATOM 743 OG SER A 49 8.504 -3.172 1.405 1.00 0.00 O ATOM 0 H SER A 49 9.522 -0.423 1.351 1.00 0.00 H new ATOM 0 HA SER A 49 9.623 -2.208 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.190 -1.743 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.515 -3.059 -0.400 1.00 0.00 H new ATOM 0 HG SER A 49 7.784 -3.695 1.816 1.00 0.00 H new ATOM 749 N ILE A 50 7.479 -0.842 -2.031 1.00 0.00 N ATOM 750 CA ILE A 50 6.684 0.118 -2.778 1.00 0.00 C ATOM 751 C ILE A 50 5.479 0.541 -1.936 1.00 0.00 C ATOM 752 O ILE A 50 4.885 -0.280 -1.239 1.00 0.00 O ATOM 753 CB ILE A 50 6.308 -0.450 -4.148 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.549 -0.934 -4.901 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.505 0.567 -4.961 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.571 0.194 -5.056 1.00 0.00 C ATOM 0 H ILE A 50 7.257 -1.819 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 50 7.264 1.019 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 50 5.667 -1.318 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.001 -1.768 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.260 -1.306 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.250 0.138 -5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.590 0.821 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.101 1.468 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.443 -0.177 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.123 1.017 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.876 0.547 -4.071 1.00 0.00 H new ATOM 768 N GLY A 51 5.155 1.823 -2.027 1.00 0.00 N ATOM 769 CA GLY A 51 3.900 2.317 -1.487 1.00 0.00 C ATOM 770 C GLY A 51 3.735 3.813 -1.765 1.00 0.00 C ATOM 771 O GLY A 51 4.683 4.479 -2.178 1.00 0.00 O ATOM 0 H GLY A 51 5.740 2.534 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.069 1.767 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.866 2.137 -0.412 1.00 0.00 H new ATOM 775 N GLY A 52 2.524 4.296 -1.527 1.00 0.00 N ATOM 776 CA GLY A 52 2.235 5.709 -1.704 1.00 0.00 C ATOM 777 C GLY A 52 1.835 6.011 -3.149 1.00 0.00 C ATOM 778 O GLY A 52 1.769 7.172 -3.549 1.00 0.00 O ATOM 0 H GLY A 52 1.732 3.734 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.431 6.006 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.111 6.299 -1.435 1.00 0.00 H new ATOM 782 N ASP A 53 1.580 4.945 -3.894 1.00 0.00 N ATOM 783 CA ASP A 53 1.172 5.082 -5.282 1.00 0.00 C ATOM 784 C ASP A 53 -0.347 4.924 -5.381 1.00 0.00 C ATOM 785 O ASP A 53 -0.994 4.499 -4.425 1.00 0.00 O ATOM 786 CB ASP A 53 1.817 4.003 -6.154 1.00 0.00 C ATOM 787 CG ASP A 53 3.334 3.869 -6.001 1.00 0.00 C ATOM 788 OD1 ASP A 53 4.044 4.598 -6.727 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.748 3.041 -5.162 1.00 0.00 O ATOM 0 H ASP A 53 1.648 3.983 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 53 1.488 6.065 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.357 3.043 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.590 4.217 -7.198 1.00 0.00 H new ATOM 794 N VAL A 54 -0.871 5.275 -6.546 1.00 0.00 N ATOM 795 CA VAL A 54 -2.311 5.361 -6.723 1.00 0.00 C ATOM 796 C VAL A 54 -2.876 3.958 -6.955 1.00 0.00 C ATOM 797 O VAL A 54 -2.238 3.127 -7.599 1.00 0.00 O ATOM 798 CB VAL A 54 -2.642 6.334 -7.856 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.145 6.352 -8.142 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.126 7.739 -7.540 1.00 0.00 C ATOM 0 H VAL A 54 -0.325 5.503 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.784 5.758 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.135 5.986 -8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.353 7.052 -8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.472 5.354 -8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.682 6.664 -7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.374 8.411 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.591 8.100 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.044 7.709 -7.410 1.00 0.00 H new ATOM 810 N PHE A 55 -4.067 3.738 -6.418 1.00 0.00 N ATOM 811 CA PHE A 55 -4.693 2.429 -6.497 1.00 0.00 C ATOM 812 C PHE A 55 -5.475 2.274 -7.803 1.00 0.00 C ATOM 813 O PHE A 55 -5.413 1.228 -8.447 1.00 0.00 O ATOM 814 CB PHE A 55 -5.665 2.327 -5.320 1.00 0.00 C ATOM 815 CG PHE A 55 -6.536 1.069 -5.340 1.00 0.00 C ATOM 816 CD1 PHE A 55 -5.974 -0.151 -5.130 1.00 0.00 C ATOM 817 CD2 PHE A 55 -7.873 1.172 -5.567 1.00 0.00 C ATOM 818 CE1 PHE A 55 -6.782 -1.318 -5.148 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.682 0.005 -5.586 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.119 -1.216 -5.376 1.00 0.00 C ATOM 0 H PHE A 55 -4.615 4.444 -5.927 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.932 1.649 -6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.097 2.349 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.312 3.204 -5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.912 -0.232 -4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.319 2.141 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.335 -2.287 -4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.744 0.086 -5.767 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.734 -2.104 -5.390 1.00 0.00 H new ATOM 925 N LEU A 62 -13.607 -0.685 -4.201 1.00 0.00 N ATOM 926 CA LEU A 62 -13.824 -0.121 -2.880 1.00 0.00 C ATOM 927 C LEU A 62 -14.766 1.080 -2.991 1.00 0.00 C ATOM 928 O LEU A 62 -14.849 1.713 -4.043 1.00 0.00 O ATOM 929 CB LEU A 62 -12.488 0.206 -2.211 1.00 0.00 C ATOM 930 CG LEU A 62 -11.473 -0.937 -2.145 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.068 -0.444 -2.493 1.00 0.00 C ATOM 932 CD2 LEU A 62 -11.516 -1.631 -0.782 1.00 0.00 C ATOM 0 HA LEU A 62 -14.310 -0.849 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.032 1.040 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.687 0.548 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 62 -11.747 -1.680 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.366 -1.276 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.066 -0.034 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.769 0.330 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.785 -2.439 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.281 -0.910 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -12.513 -2.039 -0.613 1.00 0.00 H new ATOM 944 N PRO A 63 -15.471 1.364 -1.864 1.00 0.00 N ATOM 945 CA PRO A 63 -16.478 2.412 -1.854 1.00 0.00 C ATOM 946 C PRO A 63 -15.827 3.796 -1.838 1.00 0.00 C ATOM 947 O PRO A 63 -14.642 3.933 -2.138 1.00 0.00 O ATOM 948 CB PRO A 63 -17.320 2.137 -0.619 1.00 0.00 C ATOM 949 CG PRO A 63 -16.479 1.231 0.266 1.00 0.00 C ATOM 950 CD PRO A 63 -15.329 0.698 -0.572 1.00 0.00 C ATOM 0 HA PRO A 63 -17.098 2.409 -2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.571 3.064 -0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.261 1.657 -0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.101 1.782 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.082 0.410 0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.367 0.925 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.385 -0.386 -0.677 1.00 0.00 H new ATOM 997 N ARG A 68 -13.091 10.844 -2.860 1.00 0.00 N ATOM 998 CA ARG A 68 -12.993 9.746 -3.806 1.00 0.00 C ATOM 999 C ARG A 68 -11.594 9.700 -4.425 1.00 0.00 C ATOM 1000 O ARG A 68 -11.421 10.020 -5.600 1.00 0.00 O ATOM 1001 CB ARG A 68 -14.032 9.885 -4.921 1.00 0.00 C ATOM 1002 CG ARG A 68 -14.166 8.582 -5.711 1.00 0.00 C ATOM 1003 CD ARG A 68 -15.258 8.697 -6.777 1.00 0.00 C ATOM 1004 NE ARG A 68 -16.591 8.738 -6.134 1.00 0.00 N ATOM 1005 CZ ARG A 68 -17.737 8.954 -6.793 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -17.728 9.084 -8.127 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -18.891 9.042 -6.119 1.00 0.00 N ATOM 0 HA ARG A 68 -13.183 8.822 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.997 10.155 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.744 10.694 -5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.215 8.340 -6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.401 7.763 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.104 9.598 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -15.201 7.850 -7.461 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.640 8.593 -5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.849 9.018 -8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.600 9.248 -8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.897 8.945 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.764 9.207 -6.621 1.00 0.00 H new ATOM 1021 N THR A 69 -10.633 9.300 -3.606 1.00 0.00 N ATOM 1022 CA THR A 69 -9.363 8.818 -4.123 1.00 0.00 C ATOM 1023 C THR A 69 -8.808 7.711 -3.224 1.00 0.00 C ATOM 1024 O THR A 69 -8.986 7.747 -2.007 1.00 0.00 O ATOM 1025 CB THR A 69 -8.423 10.017 -4.262 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.299 11.139 -4.330 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.690 10.034 -5.605 1.00 0.00 C ATOM 0 H THR A 69 -10.708 9.300 -2.589 1.00 0.00 H new ATOM 0 HA THR A 69 -9.482 8.365 -5.107 1.00 0.00 H new ATOM 0 HB THR A 69 -7.694 10.003 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.772 11.960 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.036 10.905 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.094 9.127 -5.706 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.417 10.082 -6.416 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.146 6.754 -3.857 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.668 5.580 -3.149 1.00 0.00 C ATOM 1037 C TRP A 70 -6.179 5.413 -3.459 1.00 0.00 C ATOM 1038 O TRP A 70 -5.741 5.679 -4.578 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.496 4.345 -3.512 1.00 0.00 C ATOM 1040 CG TRP A 70 -9.886 4.318 -2.873 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -10.988 4.969 -3.269 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.279 3.573 -1.702 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.059 4.699 -2.442 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.615 3.823 -1.459 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.532 2.715 -0.875 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.319 3.254 -0.390 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.250 2.155 0.188 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -11.594 2.397 0.446 1.00 0.00 C ATOM 0 H TRP A 70 -7.929 6.768 -4.854 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.787 5.705 -2.073 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.605 4.299 -4.596 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -7.950 3.452 -3.208 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.032 5.623 -4.127 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.003 5.074 -2.535 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.487 2.505 -1.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.364 3.465 -0.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.723 1.488 0.854 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.077 1.925 1.289 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.442 4.975 -2.450 1.00 0.00 N ATOM 1060 CA ARG A 71 -3.999 4.856 -2.573 1.00 0.00 C ATOM 1061 C ARG A 71 -3.520 3.541 -1.955 1.00 0.00 C ATOM 1062 O ARG A 71 -4.029 3.116 -0.919 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.289 6.023 -1.884 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.722 7.361 -2.487 1.00 0.00 C ATOM 1065 CD ARG A 71 -3.094 8.533 -1.729 1.00 0.00 C ATOM 1066 NE ARG A 71 -3.623 9.813 -2.249 1.00 0.00 N ATOM 1067 CZ ARG A 71 -4.839 10.297 -1.960 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -5.650 9.620 -1.136 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -5.243 11.457 -2.494 1.00 0.00 N ATOM 0 H ARG A 71 -5.817 4.698 -1.543 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.755 4.873 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.513 6.011 -0.817 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.210 5.907 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.429 7.403 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.808 7.443 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.311 8.446 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.010 8.507 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.025 10.362 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.342 8.737 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.576 9.988 -0.916 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.625 11.972 -3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.168 11.825 -2.274 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.546 2.933 -2.617 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.135 1.583 -2.269 1.00 0.00 C ATOM 1085 C GLU A 72 -0.762 1.604 -1.594 1.00 0.00 C ATOM 1086 O GLU A 72 -0.021 2.578 -1.717 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.125 0.678 -3.503 1.00 0.00 C ATOM 1088 CG GLU A 72 -0.953 1.021 -4.425 1.00 0.00 C ATOM 1089 CD GLU A 72 0.211 0.050 -4.216 1.00 0.00 C ATOM 1090 OE1 GLU A 72 0.060 -1.116 -4.640 1.00 0.00 O ATOM 1091 OE2 GLU A 72 1.225 0.496 -3.637 1.00 0.00 O ATOM 0 H GLU A 72 -2.030 3.350 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.859 1.174 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.055 -0.365 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.064 0.787 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.280 0.984 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.620 2.041 -4.232 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.465 0.518 -0.895 1.00 0.00 N ATOM 1099 CA ALA A 73 0.846 0.354 -0.289 1.00 0.00 C ATOM 1100 C ALA A 73 1.081 -1.128 0.011 1.00 0.00 C ATOM 1101 O ALA A 73 0.132 -1.877 0.238 1.00 0.00 O ATOM 1102 CB ALA A 73 0.942 1.226 0.964 1.00 0.00 C ATOM 0 H ALA A 73 -1.109 -0.256 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 73 1.630 0.680 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.925 1.103 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.796 2.271 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.173 0.926 1.676 1.00 0.00 H new ATOM 1108 N ASP A 74 2.351 -1.506 0.005 1.00 0.00 N ATOM 1109 CA ASP A 74 2.722 -2.886 0.264 1.00 0.00 C ATOM 1110 C ASP A 74 2.659 -3.152 1.770 1.00 0.00 C ATOM 1111 O ASP A 74 2.878 -2.247 2.573 1.00 0.00 O ATOM 1112 CB ASP A 74 4.150 -3.171 -0.207 1.00 0.00 C ATOM 1113 CG ASP A 74 4.345 -3.159 -1.724 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.329 -3.347 -2.428 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.505 -2.962 -2.146 1.00 0.00 O ATOM 0 H ASP A 74 3.136 -0.880 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 74 2.029 -3.529 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.817 -2.431 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.455 -4.145 0.176 1.00 0.00 H new ATOM 1120 N ILE A 75 2.358 -4.398 2.106 1.00 0.00 N ATOM 1121 CA ILE A 75 2.511 -4.862 3.474 1.00 0.00 C ATOM 1122 C ILE A 75 3.529 -6.004 3.511 1.00 0.00 C ATOM 1123 O ILE A 75 3.510 -6.884 2.651 1.00 0.00 O ATOM 1124 CB ILE A 75 1.152 -5.230 4.071 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.172 -4.060 3.968 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.301 -5.729 5.510 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.498 -2.980 5.002 1.00 0.00 C ATOM 0 H ILE A 75 2.009 -5.100 1.454 1.00 0.00 H new ATOM 0 HA ILE A 75 2.904 -4.064 4.104 1.00 0.00 H new ATOM 0 HB ILE A 75 0.735 -6.051 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.213 -3.633 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.846 -4.419 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.320 -5.984 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.939 -6.612 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.750 -4.947 6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.213 -2.159 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.432 -3.404 6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.508 -2.606 4.832 1.00 0.00 H new ATOM 1139 N ASN A 76 4.393 -5.952 4.514 1.00 0.00 N ATOM 1140 CA ASN A 76 5.347 -7.026 4.736 1.00 0.00 C ATOM 1141 C ASN A 76 6.359 -7.048 3.589 1.00 0.00 C ATOM 1142 O ASN A 76 7.514 -6.664 3.768 1.00 0.00 O ATOM 1143 CB ASN A 76 4.646 -8.386 4.774 1.00 0.00 C ATOM 1144 CG ASN A 76 4.330 -8.799 6.213 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.696 -7.867 6.917 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 4.642 -9.893 6.654 1.00 0.00 N flip ATOM 0 H ASN A 76 4.453 -5.183 5.182 1.00 0.00 H new ATOM 0 HA ASN A 76 5.840 -6.847 5.692 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.724 -8.341 4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.280 -9.139 4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.128 -10.563 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.416 -10.137 7.618 1.00 0.00 H new ATOM 1266 N ALA A 84 1.256 -9.689 -3.167 1.00 0.00 N ATOM 1267 CA ALA A 84 -0.197 -9.661 -3.149 1.00 0.00 C ATOM 1268 C ALA A 84 -0.674 -9.005 -1.853 1.00 0.00 C ATOM 1269 O ALA A 84 -1.713 -8.347 -1.831 1.00 0.00 O ATOM 1270 CB ALA A 84 -0.737 -11.083 -3.316 1.00 0.00 C ATOM 0 HA ALA A 84 -0.580 -9.067 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.827 -11.062 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.394 -11.493 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.376 -11.708 -2.499 1.00 0.00 H new ATOM 1276 N ASP A 85 0.108 -9.206 -0.802 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.266 -8.717 0.514 1.00 0.00 C ATOM 1278 C ASP A 85 -0.126 -7.194 0.547 1.00 0.00 C ATOM 1279 O ASP A 85 0.987 -6.671 0.590 1.00 0.00 O ATOM 1280 CB ASP A 85 0.644 -9.299 1.597 1.00 0.00 C ATOM 1281 CG ASP A 85 0.313 -10.732 2.019 1.00 0.00 C ATOM 1282 OD1 ASP A 85 -0.008 -11.531 1.112 1.00 0.00 O ATOM 1283 OD2 ASP A 85 0.387 -10.997 3.238 1.00 0.00 O ATOM 0 H ASP A 85 0.999 -9.701 -0.835 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.295 -9.021 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.673 -9.270 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.594 -8.657 2.476 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.269 -6.526 0.524 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.289 -5.083 0.352 1.00 0.00 C ATOM 1290 C ARG A 86 -2.316 -4.450 1.293 1.00 0.00 C ATOM 1291 O ARG A 86 -3.222 -5.128 1.775 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.630 -4.705 -1.091 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.455 -4.997 -2.026 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.887 -4.913 -3.492 1.00 0.00 C ATOM 1295 NE ARG A 86 -1.171 -3.507 -3.856 1.00 0.00 N ATOM 1296 CZ ARG A 86 -2.357 -3.071 -4.301 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -3.489 -3.617 -3.836 1.00 0.00 N ATOM 1298 NH2 ARG A 86 -2.412 -2.089 -5.211 1.00 0.00 N ATOM 0 H ARG A 86 -2.188 -6.957 0.622 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.294 -4.707 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.508 -5.262 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.886 -3.647 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.349 -4.285 -1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.057 -5.990 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.102 -5.312 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.774 -5.526 -3.654 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.416 -2.827 -3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.448 -4.365 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.392 -3.285 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.551 -1.673 -5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.315 -1.757 -5.550 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.140 -3.158 1.527 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.160 -2.374 2.202 1.00 0.00 C ATOM 1314 C LEU A 87 -3.521 -1.164 1.338 1.00 0.00 C ATOM 1315 O LEU A 87 -2.640 -0.497 0.797 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.706 -2.006 3.616 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.691 -1.176 4.442 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -3.801 -1.717 5.869 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.313 0.306 4.419 1.00 0.00 C ATOM 0 H LEU A 87 -1.306 -2.634 1.261 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.070 -2.961 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.493 -2.927 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.769 -1.455 3.543 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.678 -1.264 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.507 -1.109 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.151 -2.749 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.823 -1.679 6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.029 0.873 5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.314 0.433 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.326 0.669 3.391 1.00 0.00 H new ATOM 1331 N VAL A 88 -4.819 -0.916 1.235 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.309 0.180 0.417 1.00 0.00 C ATOM 1333 C VAL A 88 -6.216 1.076 1.264 1.00 0.00 C ATOM 1334 O VAL A 88 -7.158 0.595 1.893 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.006 -0.367 -0.830 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.202 0.732 -1.875 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.232 -1.550 -1.416 1.00 0.00 C ATOM 0 H VAL A 88 -5.546 -1.456 1.705 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.480 0.794 0.066 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.992 -0.726 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.700 0.316 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.815 1.529 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.232 1.135 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.749 -1.920 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.228 -1.228 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.168 -2.346 -0.674 1.00 0.00 H new ATOM 1347 N TYR A 89 -5.900 2.362 1.253 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.584 3.308 2.119 1.00 0.00 C ATOM 1349 C TYR A 89 -7.071 4.524 1.327 1.00 0.00 C ATOM 1350 O TYR A 89 -6.394 4.980 0.406 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.547 3.766 3.146 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.350 4.499 2.538 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.256 3.784 2.093 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.363 5.875 2.434 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.129 4.474 1.521 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.237 6.565 1.861 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.175 5.830 1.433 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.111 6.482 0.892 1.00 0.00 O ATOM 0 H TYR A 89 -5.180 2.772 0.658 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.455 2.844 2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.032 4.422 3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.186 2.896 3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.245 2.707 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.218 6.435 2.783 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.267 3.927 1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.235 7.641 1.773 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.284 7.447 0.892 1.00 0.00 H new ATOM 1368 N SER A 90 -8.240 5.013 1.714 1.00 0.00 N ATOM 1369 CA SER A 90 -8.867 6.109 0.996 1.00 0.00 C ATOM 1370 C SER A 90 -8.450 7.446 1.613 1.00 0.00 C ATOM 1371 O SER A 90 -7.775 7.475 2.642 1.00 0.00 O ATOM 1372 CB SER A 90 -10.390 5.973 1.004 1.00 0.00 C ATOM 1373 OG SER A 90 -10.960 6.424 2.229 1.00 0.00 O ATOM 0 H SER A 90 -8.769 4.670 2.516 1.00 0.00 H new ATOM 0 HA SER A 90 -8.532 6.074 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.809 6.546 0.177 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.662 4.930 0.840 1.00 0.00 H new ATOM 0 HG SER A 90 -11.679 7.062 2.040 1.00 0.00 H new ATOM 1379 N SER A 91 -8.868 8.520 0.960 1.00 0.00 N ATOM 1380 CA SER A 91 -8.510 9.855 1.408 1.00 0.00 C ATOM 1381 C SER A 91 -9.236 10.181 2.714 1.00 0.00 C ATOM 1382 O SER A 91 -8.694 10.876 3.573 1.00 0.00 O ATOM 1383 CB SER A 91 -8.842 10.900 0.341 1.00 0.00 C ATOM 1384 OG SER A 91 -8.220 10.606 -0.907 1.00 0.00 O ATOM 0 H SER A 91 -9.451 8.493 0.124 1.00 0.00 H new ATOM 0 HA SER A 91 -7.434 9.881 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.922 10.948 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.520 11.883 0.684 1.00 0.00 H new ATOM 0 HG SER A 91 -8.549 9.746 -1.242 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.451 9.664 2.824 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.257 9.892 4.011 1.00 0.00 C ATOM 1392 C ASP A 92 -11.050 8.737 4.993 1.00 0.00 C ATOM 1393 O ASP A 92 -11.799 8.597 5.959 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.745 9.956 3.663 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.353 8.638 3.177 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.078 8.283 2.010 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.078 8.016 3.983 1.00 0.00 O ATOM 0 H ASP A 92 -10.897 9.088 2.110 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.949 10.841 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.295 10.289 4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.890 10.712 2.891 1.00 0.00 H new ATOM 1402 N TRP A 93 -10.030 7.940 4.712 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.527 6.995 5.695 1.00 0.00 C ATOM 1404 C TRP A 93 -10.567 5.885 5.859 1.00 0.00 C ATOM 1405 O TRP A 93 -10.972 5.570 6.977 1.00 0.00 O ATOM 1406 CB TRP A 93 -9.191 7.699 7.011 1.00 0.00 C ATOM 1407 CG TRP A 93 -8.409 9.003 6.837 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.830 10.254 7.067 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -7.045 9.134 6.384 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.841 11.178 6.797 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.721 10.475 6.368 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -6.116 8.151 6.000 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.466 10.956 5.976 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.866 8.648 5.611 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.524 9.995 5.589 1.00 0.00 C ATOM 0 H TRP A 93 -9.538 7.929 3.818 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.592 6.549 5.357 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -10.117 7.911 7.545 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -8.611 7.020 7.637 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -9.819 10.507 7.419 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.918 12.190 6.894 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.348 7.096 6.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -5.237 12.011 5.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.115 7.934 5.307 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.536 10.299 5.275 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.969 5.322 4.729 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.536 3.984 4.719 1.00 0.00 C ATOM 1428 C LEU A 94 -10.439 2.973 4.378 1.00 0.00 C ATOM 1429 O LEU A 94 -9.781 3.091 3.346 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.744 3.921 3.783 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.060 4.460 4.348 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -14.980 4.945 3.226 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.741 3.419 5.239 1.00 0.00 C ATOM 0 H LEU A 94 -10.913 5.768 3.813 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.915 3.723 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.506 4.478 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -12.896 2.883 3.488 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.835 5.323 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.908 5.323 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.486 5.742 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.202 4.116 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.674 3.827 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.952 2.523 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.083 3.164 6.069 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.278 2.002 5.265 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.099 1.152 5.238 1.00 0.00 C ATOM 1447 C ILE A 95 -9.520 -0.285 4.924 1.00 0.00 C ATOM 1448 O ILE A 95 -10.456 -0.808 5.527 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.308 1.291 6.540 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.134 2.763 6.922 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.967 0.561 6.448 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.346 2.902 8.225 1.00 0.00 C ATOM 0 H ILE A 95 -10.944 1.785 6.007 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.420 1.467 4.445 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.879 0.816 7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.616 3.291 6.122 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.112 3.232 7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.425 0.676 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.141 -0.498 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.377 0.984 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.237 3.958 8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.879 2.393 9.028 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.360 2.454 8.103 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.807 -0.883 3.981 1.00 0.00 N ATOM 1465 CA TYR A 96 -8.995 -2.293 3.681 1.00 0.00 C ATOM 1466 C TYR A 96 -7.658 -2.973 3.383 1.00 0.00 C ATOM 1467 O TYR A 96 -6.724 -2.331 2.904 1.00 0.00 O ATOM 1468 CB TYR A 96 -9.871 -2.344 2.428 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.335 -1.974 2.676 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.727 -0.651 2.646 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.263 -2.963 2.930 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.104 -0.303 2.879 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.641 -2.615 3.163 1.00 0.00 C ATOM 1474 CZ TYR A 96 -13.993 -1.302 3.127 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.295 -0.973 3.347 1.00 0.00 O ATOM 0 H TYR A 96 -8.098 -0.417 3.414 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.447 -2.809 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.458 -1.667 1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -9.827 -3.349 2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.000 0.123 2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -11.956 -3.998 2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.424 0.728 2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.378 -3.379 3.362 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.852 -1.775 3.271 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.608 -4.264 3.678 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.425 -5.054 3.382 1.00 0.00 C ATOM 1487 C LYS A 97 -6.803 -6.191 2.430 1.00 0.00 C ATOM 1488 O LYS A 97 -7.978 -6.528 2.294 1.00 0.00 O ATOM 1489 CB LYS A 97 -5.761 -5.530 4.675 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.576 -6.647 5.331 1.00 0.00 C ATOM 1491 CD LYS A 97 -5.920 -8.010 5.104 1.00 0.00 C ATOM 1492 CE LYS A 97 -6.746 -9.129 5.741 1.00 0.00 C ATOM 1493 NZ LYS A 97 -6.119 -10.445 5.488 1.00 0.00 N ATOM 0 H LYS A 97 -8.368 -4.782 4.119 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.678 -4.445 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.754 -5.888 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.662 -4.693 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.666 -6.456 6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.586 -6.653 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.816 -8.194 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.915 -8.009 5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.831 -8.960 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.758 -9.118 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.693 -11.193 5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.061 -10.610 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.162 -10.458 5.896 1.00 0.00 H new ATOM 1507 N THR A 98 -5.783 -6.751 1.795 1.00 0.00 N ATOM 1508 CA THR A 98 -5.990 -7.860 0.879 1.00 0.00 C ATOM 1509 C THR A 98 -4.711 -8.688 0.747 1.00 0.00 C ATOM 1510 O THR A 98 -3.632 -8.141 0.528 1.00 0.00 O ATOM 1511 CB THR A 98 -6.483 -7.288 -0.452 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.506 -8.413 -1.326 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.469 -6.338 -1.093 1.00 0.00 C ATOM 0 H THR A 98 -4.811 -6.457 1.897 1.00 0.00 H new ATOM 0 HA THR A 98 -6.748 -8.547 1.255 1.00 0.00 H new ATOM 0 HB THR A 98 -7.424 -6.761 -0.294 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.435 -8.646 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.868 -5.961 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.277 -5.503 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.538 -6.873 -1.282 1.00 0.00 H new ATOM 1521 N THR A 99 -4.875 -9.996 0.886 1.00 0.00 N ATOM 1522 CA THR A 99 -3.787 -10.920 0.611 1.00 0.00 C ATOM 1523 C THR A 99 -3.939 -11.519 -0.789 1.00 0.00 C ATOM 1524 O THR A 99 -3.070 -12.259 -1.248 1.00 0.00 O ATOM 1525 CB THR A 99 -3.766 -11.970 1.723 1.00 0.00 C ATOM 1526 OG1 THR A 99 -5.135 -12.331 1.886 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.373 -11.379 3.078 1.00 0.00 C ATOM 0 H THR A 99 -5.744 -10.438 1.185 1.00 0.00 H new ATOM 0 HA THR A 99 -2.824 -10.409 0.609 1.00 0.00 H new ATOM 0 HB THR A 99 -3.070 -12.766 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.213 -13.010 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.374 -12.166 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.376 -10.943 3.009 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.089 -10.606 3.359 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.048 -11.178 -1.427 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.529 -11.953 -2.558 1.00 0.00 C ATOM 1537 C ASP A 100 -5.480 -11.090 -3.820 1.00 0.00 C ATOM 1538 O ASP A 100 -6.293 -11.263 -4.727 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.978 -12.398 -2.345 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.945 -11.281 -1.949 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.959 -10.260 -2.670 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.649 -11.473 -0.934 1.00 0.00 O ATOM 0 H ASP A 100 -5.628 -10.375 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.893 -12.832 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.339 -12.862 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.997 -13.166 -1.571 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.519 -10.179 -3.839 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.177 -9.476 -5.063 1.00 0.00 C ATOM 1549 C HIS A 101 -5.319 -8.533 -5.450 1.00 0.00 C ATOM 1550 O HIS A 101 -5.800 -8.566 -6.581 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.821 -10.464 -6.176 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.024 -9.856 -7.305 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -3.494 -9.794 -8.606 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -1.786 -9.284 -7.315 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.571 -9.209 -9.356 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -1.513 -8.894 -8.554 1.00 0.00 N ATOM 0 H HIS A 101 -3.966 -9.911 -3.025 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.288 -8.866 -4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.253 -11.289 -5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.741 -10.887 -6.581 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -1.137 -9.168 -6.459 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.644 -9.016 -10.416 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -0.654 -8.435 -8.857 1.00 0.00 H new ATOM 1564 N TYR A 102 -5.720 -7.716 -4.487 1.00 0.00 N ATOM 1565 CA TYR A 102 -6.898 -6.882 -4.656 1.00 0.00 C ATOM 1566 C TYR A 102 -7.909 -7.546 -5.593 1.00 0.00 C ATOM 1567 O TYR A 102 -8.257 -6.988 -6.632 1.00 0.00 O ATOM 1568 CB TYR A 102 -6.406 -5.582 -5.294 1.00 0.00 C ATOM 1569 CG TYR A 102 -5.354 -5.783 -6.386 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -4.025 -5.934 -6.045 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -5.733 -5.815 -7.713 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -3.035 -6.123 -7.072 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -4.743 -6.004 -8.741 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.442 -6.149 -8.370 1.00 0.00 C ATOM 1575 OH TYR A 102 -2.507 -6.328 -9.340 1.00 0.00 O ATOM 0 H TYR A 102 -5.250 -7.614 -3.587 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.392 -6.717 -3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.259 -5.053 -5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -5.989 -4.943 -4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.728 -5.910 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.773 -5.698 -7.980 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.992 -6.242 -6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.027 -6.030 -9.783 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.817 -6.945 -9.019 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.353 -8.728 -5.190 1.00 0.00 N ATOM 1586 CA ALA A 103 -9.563 -9.303 -5.753 1.00 0.00 C ATOM 1587 C ALA A 103 -10.728 -9.073 -4.788 1.00 0.00 C ATOM 1588 O ALA A 103 -11.767 -8.541 -5.178 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.334 -10.787 -6.046 1.00 0.00 C ATOM 0 H ALA A 103 -7.897 -9.302 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.815 -8.819 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.241 -11.219 -6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.515 -10.895 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.082 -11.306 -5.121 1.00 0.00 H new ATOM 1595 N THR A 104 -10.517 -9.485 -3.546 1.00 0.00 N ATOM 1596 CA THR A 104 -11.434 -9.134 -2.475 1.00 0.00 C ATOM 1597 C THR A 104 -10.685 -8.431 -1.341 1.00 0.00 C ATOM 1598 O THR A 104 -9.456 -8.386 -1.338 1.00 0.00 O ATOM 1599 CB THR A 104 -12.152 -10.409 -2.030 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.114 -11.383 -1.955 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.097 -10.954 -3.103 1.00 0.00 C ATOM 0 H THR A 104 -9.724 -10.059 -3.258 1.00 0.00 H new ATOM 0 HA THR A 104 -12.186 -8.423 -2.816 1.00 0.00 H new ATOM 0 HB THR A 104 -12.715 -10.209 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.434 -11.088 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.581 -11.859 -2.736 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.855 -10.206 -3.334 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.529 -11.186 -4.004 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.457 -7.899 -0.405 1.00 0.00 N ATOM 1610 CA PHE A 105 -10.899 -7.044 0.629 1.00 0.00 C ATOM 1611 C PHE A 105 -11.550 -7.328 1.985 1.00 0.00 C ATOM 1612 O PHE A 105 -12.607 -7.952 2.051 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.200 -5.600 0.225 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.320 -5.076 -0.912 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.070 -4.612 -0.647 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -10.789 -5.075 -2.189 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.254 -4.126 -1.703 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -9.973 -4.589 -3.245 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.723 -4.125 -2.979 1.00 0.00 C ATOM 0 H PHE A 105 -12.465 -8.044 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 105 -9.828 -7.225 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.245 -5.528 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.073 -4.956 1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -8.697 -4.613 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -11.782 -5.444 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.261 -3.757 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -10.345 -4.588 -4.259 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.102 -3.755 -3.782 1.00 0.00 H new ATOM 1629 N THR A 106 -10.890 -6.855 3.032 1.00 0.00 N ATOM 1630 CA THR A 106 -11.472 -6.893 4.363 1.00 0.00 C ATOM 1631 C THR A 106 -11.184 -5.589 5.109 1.00 0.00 C ATOM 1632 O THR A 106 -10.057 -5.096 5.092 1.00 0.00 O ATOM 1633 CB THR A 106 -10.934 -8.134 5.078 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.250 -9.208 4.196 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.714 -8.458 6.354 1.00 0.00 C ATOM 0 H THR A 106 -9.958 -6.443 2.986 1.00 0.00 H new ATOM 0 HA THR A 106 -12.558 -6.971 4.318 1.00 0.00 H new ATOM 0 HB THR A 106 -9.882 -7.984 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.935 -10.052 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.292 -9.347 6.823 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.647 -7.617 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.759 -8.641 6.105 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.222 -5.067 5.745 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.108 -3.803 6.452 1.00 0.00 C ATOM 1645 C ARG A 107 -11.398 -4.007 7.792 1.00 0.00 C ATOM 1646 O ARG A 107 -11.770 -4.886 8.568 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.485 -3.184 6.701 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.408 -1.656 6.694 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.768 -1.038 7.025 1.00 0.00 C ATOM 1650 NE ARG A 107 -15.747 -1.373 5.966 1.00 0.00 N ATOM 1651 CZ ARG A 107 -16.844 -2.116 6.166 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.900 -2.963 7.203 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -17.885 -2.014 5.328 1.00 0.00 N ATOM 0 H ARG A 107 -13.146 -5.497 5.786 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.526 -3.125 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.183 -3.520 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.874 -3.528 7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.666 -1.322 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.075 -1.309 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.120 -1.408 7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -14.673 0.044 7.115 1.00 0.00 H new ATOM 0 HE ARG A 107 -15.576 -1.016 5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.107 -3.042 7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.735 -3.528 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.842 -1.371 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.720 -2.580 5.481 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.390 -3.179 8.024 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.566 -3.318 9.213 1.00 0.00 C ATOM 1669 C ILE A 108 -9.934 -2.220 10.214 1.00 0.00 C ATOM 1670 O ILE A 108 -9.979 -2.464 11.419 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.083 -3.337 8.838 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.463 -1.945 8.982 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.879 -3.913 7.436 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.263 -1.583 10.455 1.00 0.00 C ATOM 0 H ILE A 108 -10.125 -2.410 7.409 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.759 -4.273 9.701 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.563 -3.995 9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.505 -1.914 8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.107 -1.205 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.816 -3.915 7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.261 -4.933 7.403 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.415 -3.302 6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.821 -0.589 10.529 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.226 -1.591 10.966 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.599 -2.311 10.922 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.187 -1.036 9.677 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.832 0.013 10.449 1.00 0.00 C ATOM 1688 C ARG A 109 -10.500 -0.141 11.935 1.00 0.00 C ATOM 1689 O ARG A 109 -11.452 -0.384 12.707 1.00 0.00 O ATOM 1690 CB ARG A 109 -12.350 -0.023 10.266 1.00 0.00 C ATOM 1691 CG ARG A 109 -12.899 -1.430 10.512 1.00 0.00 C ATOM 1692 CD ARG A 109 -14.384 -1.384 10.875 1.00 0.00 C ATOM 1693 NE ARG A 109 -14.952 -2.751 10.858 1.00 0.00 N ATOM 1694 CZ ARG A 109 -16.239 -3.033 11.103 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -17.095 -2.047 11.405 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -16.670 -4.300 11.045 1.00 0.00 N ATOM 0 H ARG A 109 -9.957 -0.779 8.717 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.457 0.970 10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -12.820 0.680 10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.606 0.300 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.758 -2.040 9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.339 -1.907 11.316 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.512 -0.940 11.862 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.920 -0.750 10.169 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.324 -3.527 10.647 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.767 -1.082 11.448 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.075 -2.261 11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.019 -5.050 10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.650 -4.515 11.232 1.00 0.00 H new