USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.072) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0.414 (180deg=0.329) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.456 F(o=-1,f=-0.46) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00973 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00964 USER MOD Single : A 19 SER OG : rot 71:sc= 0.622 USER MOD Single : A 20 HIS : no HE2:sc= -0.329 X(o=-0.33,f=-0.43) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 32 THR OG1 : rot -170:sc= 0.00575 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= -0.174 (180deg=-1.07) USER MOD Single : A 44 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.7) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 5.563 23.453 -2.226 1.00 0.00 N ATOM 45 CA ILE A 4 6.797 24.030 -2.763 1.00 0.00 C ATOM 46 C ILE A 4 7.023 23.513 -4.192 1.00 0.00 C ATOM 47 O ILE A 4 7.351 24.282 -5.090 1.00 0.00 O ATOM 48 CB ILE A 4 7.976 23.683 -1.809 1.00 0.00 C ATOM 49 CG1 ILE A 4 9.101 24.744 -1.882 1.00 0.00 C ATOM 50 CG2 ILE A 4 8.556 22.293 -2.111 1.00 0.00 C ATOM 51 CD1 ILE A 4 9.474 25.092 -3.325 1.00 0.00 C ATOM 0 HA ILE A 4 6.726 25.116 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 4 7.567 23.679 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.780 25.647 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.983 24.373 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.377 22.085 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.779 21.539 -1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.924 22.267 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.267 25.840 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.821 24.195 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.600 25.489 -3.841 1.00 0.00 H new ATOM 63 N LYS A 5 6.841 22.207 -4.392 1.00 0.00 N ATOM 64 CA LYS A 5 7.050 21.581 -5.684 1.00 0.00 C ATOM 65 C LYS A 5 6.132 22.203 -6.730 1.00 0.00 C ATOM 66 O LYS A 5 6.597 22.727 -7.745 1.00 0.00 O ATOM 67 CB LYS A 5 6.766 20.082 -5.549 1.00 0.00 C ATOM 68 CG LYS A 5 7.872 19.406 -4.725 1.00 0.00 C ATOM 69 CD LYS A 5 9.094 19.126 -5.612 1.00 0.00 C ATOM 70 CE LYS A 5 10.248 18.583 -4.761 1.00 0.00 C ATOM 71 NZ LYS A 5 9.933 17.250 -4.212 1.00 0.00 N ATOM 0 H LYS A 5 6.545 21.561 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 5 8.080 21.735 -6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.799 19.929 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.707 19.625 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.158 20.046 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.501 18.474 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.833 18.406 -6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.404 20.041 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.152 18.524 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.456 19.274 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.775 16.860 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.159 17.333 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.643 16.616 -4.984 1.00 0.00 H new ATOM 85 N ASP A 6 4.829 22.128 -6.482 1.00 0.00 N ATOM 86 CA ASP A 6 3.824 22.658 -7.393 1.00 0.00 C ATOM 87 C ASP A 6 4.057 24.149 -7.644 1.00 0.00 C ATOM 88 O ASP A 6 4.098 24.585 -8.793 1.00 0.00 O ATOM 89 CB ASP A 6 2.438 22.411 -6.791 1.00 0.00 C ATOM 90 CG ASP A 6 2.201 20.920 -6.568 1.00 0.00 C ATOM 91 OD1 ASP A 6 2.934 20.346 -5.728 1.00 0.00 O ATOM 92 OD2 ASP A 6 1.300 20.379 -7.244 1.00 0.00 O ATOM 0 H ASP A 6 4.441 21.698 -5.643 1.00 0.00 H new ATOM 0 HA ASP A 6 3.895 22.152 -8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.348 22.944 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.672 22.810 -7.456 1.00 0.00 H new ATOM 97 N VAL A 7 4.208 24.925 -6.566 1.00 0.00 N ATOM 98 CA VAL A 7 4.431 26.366 -6.647 1.00 0.00 C ATOM 99 C VAL A 7 5.618 26.672 -7.552 1.00 0.00 C ATOM 100 O VAL A 7 5.503 27.455 -8.490 1.00 0.00 O ATOM 101 CB VAL A 7 4.698 26.913 -5.236 1.00 0.00 C ATOM 102 CG1 VAL A 7 5.299 28.319 -5.330 1.00 0.00 C ATOM 103 CG2 VAL A 7 3.394 26.975 -4.436 1.00 0.00 C ATOM 0 H VAL A 7 4.178 24.567 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 7 3.545 26.842 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 7 5.398 26.247 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.486 28.702 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.237 28.277 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.602 28.979 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.597 27.364 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.686 27.630 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.969 25.975 -4.355 1.00 0.00 H new ATOM 113 N ALA A 8 6.765 26.063 -7.250 1.00 0.00 N ATOM 114 CA ALA A 8 7.988 26.303 -7.988 1.00 0.00 C ATOM 115 C ALA A 8 7.779 26.048 -9.476 1.00 0.00 C ATOM 116 O ALA A 8 7.990 26.942 -10.290 1.00 0.00 O ATOM 117 CB ALA A 8 9.093 25.404 -7.422 1.00 0.00 C ATOM 0 H ALA A 8 6.864 25.393 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 8 8.284 27.346 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.019 25.576 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.247 25.636 -6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.800 24.359 -7.524 1.00 0.00 H new ATOM 123 N LYS A 9 7.374 24.833 -9.836 1.00 0.00 N ATOM 124 CA LYS A 9 7.193 24.479 -11.235 1.00 0.00 C ATOM 125 C LYS A 9 6.152 25.393 -11.887 1.00 0.00 C ATOM 126 O LYS A 9 6.288 25.740 -13.060 1.00 0.00 O ATOM 127 CB LYS A 9 6.809 23.006 -11.334 1.00 0.00 C ATOM 128 CG LYS A 9 7.982 22.145 -10.823 1.00 0.00 C ATOM 129 CD LYS A 9 7.769 20.674 -11.219 1.00 0.00 C ATOM 130 CE LYS A 9 6.382 20.184 -10.778 1.00 0.00 C ATOM 131 NZ LYS A 9 6.158 20.411 -9.339 1.00 0.00 N ATOM 0 H LYS A 9 7.166 24.081 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 9 8.126 24.624 -11.780 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.914 22.810 -10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.574 22.747 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.920 22.510 -11.241 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.061 22.230 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.871 20.565 -12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.541 20.055 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.613 20.701 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.284 19.121 -10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.240 20.007 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.916 19.953 -8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.160 21.433 -9.144 1.00 0.00 H new ATOM 145 N ARG A 10 5.125 25.803 -11.131 1.00 0.00 N ATOM 146 CA ARG A 10 4.118 26.724 -11.641 1.00 0.00 C ATOM 147 C ARG A 10 4.783 28.076 -11.935 1.00 0.00 C ATOM 148 O ARG A 10 4.416 28.754 -12.895 1.00 0.00 O ATOM 149 CB ARG A 10 2.979 26.861 -10.614 1.00 0.00 C ATOM 150 CG ARG A 10 2.023 28.004 -10.995 1.00 0.00 C ATOM 151 CD ARG A 10 1.354 27.718 -12.345 1.00 0.00 C ATOM 152 NE ARG A 10 0.416 28.790 -12.701 1.00 0.00 N ATOM 153 CZ ARG A 10 0.803 29.976 -13.213 1.00 0.00 C ATOM 154 NH1 ARG A 10 2.103 30.233 -13.429 1.00 0.00 N ATOM 155 NH2 ARG A 10 -0.115 30.903 -13.509 1.00 0.00 N ATOM 0 H ARG A 10 4.975 25.508 -10.166 1.00 0.00 H new ATOM 0 HA ARG A 10 3.686 26.345 -12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.425 25.924 -10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.398 27.048 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.262 28.122 -10.223 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.573 28.944 -11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.115 27.623 -13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.825 26.766 -12.299 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.580 28.629 -12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.806 29.529 -13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.387 31.133 -13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.104 30.712 -13.347 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.174 31.801 -13.896 1.00 0.00 H new ATOM 169 N ALA A 11 5.771 28.456 -11.108 1.00 0.00 N ATOM 170 CA ALA A 11 6.517 29.698 -11.289 1.00 0.00 C ATOM 171 C ALA A 11 7.669 29.487 -12.288 1.00 0.00 C ATOM 172 O ALA A 11 8.501 30.374 -12.461 1.00 0.00 O ATOM 173 CB ALA A 11 7.048 30.167 -9.931 1.00 0.00 C ATOM 0 H ALA A 11 6.069 27.909 -10.300 1.00 0.00 H new ATOM 0 HA ALA A 11 5.859 30.466 -11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.606 31.094 -10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.212 30.337 -9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.704 29.403 -9.513 1.00 0.00 H new ATOM 179 N ASN A 12 7.700 28.309 -12.939 1.00 0.00 N ATOM 180 CA ASN A 12 8.692 27.964 -13.961 1.00 0.00 C ATOM 181 C ASN A 12 10.081 27.767 -13.349 1.00 0.00 C ATOM 182 O ASN A 12 11.082 28.205 -13.912 1.00 0.00 O ATOM 183 CB ASN A 12 8.707 29.030 -15.073 1.00 0.00 C ATOM 184 CG ASN A 12 9.586 28.604 -16.251 1.00 0.00 C ATOM 185 OD1 ASN A 12 9.463 27.347 -16.683 1.00 0.00 O flip ATOM 186 ND2 ASN A 12 10.365 29.403 -16.763 1.00 0.00 N flip ATOM 0 H ASN A 12 7.026 27.564 -12.764 1.00 0.00 H new ATOM 0 HA ASN A 12 8.406 27.012 -14.408 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.690 29.206 -15.423 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.073 29.974 -14.668 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.429 30.355 -16.403 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.948 29.115 -17.549 1.00 0.00 H new ATOM 193 N VAL A 13 10.136 27.086 -12.201 1.00 0.00 N ATOM 194 CA VAL A 13 11.393 26.747 -11.545 1.00 0.00 C ATOM 195 C VAL A 13 11.232 25.381 -10.882 1.00 0.00 C ATOM 196 O VAL A 13 10.167 25.063 -10.381 1.00 0.00 O ATOM 197 CB VAL A 13 11.796 27.830 -10.523 1.00 0.00 C ATOM 198 CG1 VAL A 13 12.370 29.050 -11.249 1.00 0.00 C ATOM 199 CG2 VAL A 13 10.595 28.268 -9.684 1.00 0.00 C ATOM 0 H VAL A 13 9.309 26.756 -11.704 1.00 0.00 H new ATOM 0 HA VAL A 13 12.196 26.702 -12.280 1.00 0.00 H new ATOM 0 HB VAL A 13 12.550 27.402 -9.863 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.651 29.809 -10.519 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.249 28.753 -11.821 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.619 29.458 -11.925 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.908 29.032 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.824 28.675 -10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.196 27.410 -9.143 1.00 0.00 H new ATOM 209 N SER A 14 12.280 24.563 -10.890 1.00 0.00 N ATOM 210 CA SER A 14 12.202 23.224 -10.312 1.00 0.00 C ATOM 211 C SER A 14 12.141 23.319 -8.788 1.00 0.00 C ATOM 212 O SER A 14 11.138 22.959 -8.176 1.00 0.00 O ATOM 213 CB SER A 14 13.412 22.402 -10.764 1.00 0.00 C ATOM 214 OG SER A 14 13.356 22.210 -12.162 1.00 0.00 O ATOM 0 H SER A 14 13.189 24.801 -11.288 1.00 0.00 H new ATOM 0 HA SER A 14 11.296 22.726 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.335 22.915 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.421 21.439 -10.254 1.00 0.00 H new ATOM 0 HG SER A 14 14.131 21.685 -12.451 1.00 0.00 H new ATOM 220 N THR A 15 13.231 23.805 -8.197 1.00 0.00 N ATOM 221 CA THR A 15 13.372 23.970 -6.747 1.00 0.00 C ATOM 222 C THR A 15 14.757 24.546 -6.447 1.00 0.00 C ATOM 223 O THR A 15 14.927 25.310 -5.502 1.00 0.00 O ATOM 224 CB THR A 15 13.166 22.629 -6.013 1.00 0.00 C ATOM 225 OG1 THR A 15 13.390 22.809 -4.630 1.00 0.00 O ATOM 226 CG2 THR A 15 14.129 21.562 -6.546 1.00 0.00 C ATOM 0 H THR A 15 14.056 24.101 -8.719 1.00 0.00 H new ATOM 0 HA THR A 15 12.606 24.657 -6.387 1.00 0.00 H new ATOM 0 HB THR A 15 12.143 22.295 -6.186 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.258 21.957 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.965 20.625 -6.013 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.951 21.410 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.157 21.891 -6.394 1.00 0.00 H new ATOM 234 N THR A 16 15.745 24.176 -7.266 1.00 0.00 N ATOM 235 CA THR A 16 17.103 24.677 -7.119 1.00 0.00 C ATOM 236 C THR A 16 17.094 26.202 -7.203 1.00 0.00 C ATOM 237 O THR A 16 17.670 26.877 -6.355 1.00 0.00 O ATOM 238 CB THR A 16 17.981 24.077 -8.224 1.00 0.00 C ATOM 239 OG1 THR A 16 17.298 24.148 -9.459 1.00 0.00 O ATOM 240 CG2 THR A 16 18.292 22.614 -7.900 1.00 0.00 C ATOM 0 H THR A 16 15.622 23.526 -8.042 1.00 0.00 H new ATOM 0 HA THR A 16 17.508 24.386 -6.150 1.00 0.00 H new ATOM 0 HB THR A 16 18.913 24.639 -8.288 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.859 23.766 -10.166 1.00 0.00 H new ATOM 0 HG21 THR A 16 18.916 22.192 -8.688 1.00 0.00 H new ATOM 0 HG22 THR A 16 18.820 22.556 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.361 22.050 -7.833 1.00 0.00 H new ATOM 248 N THR A 17 16.429 26.743 -8.229 1.00 0.00 N ATOM 249 CA THR A 17 16.328 28.180 -8.417 1.00 0.00 C ATOM 250 C THR A 17 15.714 28.836 -7.173 1.00 0.00 C ATOM 251 O THR A 17 16.107 29.937 -6.802 1.00 0.00 O ATOM 252 CB THR A 17 15.488 28.462 -9.666 1.00 0.00 C ATOM 253 OG1 THR A 17 15.938 27.649 -10.730 1.00 0.00 O ATOM 254 CG2 THR A 17 15.626 29.935 -10.061 1.00 0.00 C ATOM 0 H THR A 17 15.951 26.195 -8.944 1.00 0.00 H new ATOM 0 HA THR A 17 17.321 28.607 -8.558 1.00 0.00 H new ATOM 0 HB THR A 17 14.442 28.241 -9.452 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.399 27.828 -11.529 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.027 30.131 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.278 30.565 -9.243 1.00 0.00 H new ATOM 0 HG23 THR A 17 16.672 30.159 -10.272 1.00 0.00 H new ATOM 262 N VAL A 18 14.757 28.157 -6.527 1.00 0.00 N ATOM 263 CA VAL A 18 14.137 28.674 -5.314 1.00 0.00 C ATOM 264 C VAL A 18 15.153 28.634 -4.174 1.00 0.00 C ATOM 265 O VAL A 18 15.207 29.546 -3.357 1.00 0.00 O ATOM 266 CB VAL A 18 12.884 27.848 -4.974 1.00 0.00 C ATOM 267 CG1 VAL A 18 12.321 28.290 -3.618 1.00 0.00 C ATOM 268 CG2 VAL A 18 11.822 28.055 -6.057 1.00 0.00 C ATOM 0 H VAL A 18 14.400 27.250 -6.829 1.00 0.00 H new ATOM 0 HA VAL A 18 13.826 29.708 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 18 13.155 26.793 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.434 27.702 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.073 28.137 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.055 29.346 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.936 27.469 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.556 29.111 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.217 27.733 -7.020 1.00 0.00 H new ATOM 278 N SER A 19 15.968 27.576 -4.124 1.00 0.00 N ATOM 279 CA SER A 19 16.987 27.438 -3.095 1.00 0.00 C ATOM 280 C SER A 19 17.989 28.593 -3.200 1.00 0.00 C ATOM 281 O SER A 19 18.513 29.046 -2.185 1.00 0.00 O ATOM 282 CB SER A 19 17.695 26.089 -3.246 1.00 0.00 C ATOM 283 OG SER A 19 16.737 25.050 -3.280 1.00 0.00 O ATOM 0 H SER A 19 15.937 26.804 -4.789 1.00 0.00 H new ATOM 0 HA SER A 19 16.519 27.475 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.289 26.079 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.384 25.934 -2.416 1.00 0.00 H new ATOM 0 HG SER A 19 16.247 25.085 -4.128 1.00 0.00 H new ATOM 289 N HIS A 20 18.253 29.074 -4.429 1.00 0.00 N ATOM 290 CA HIS A 20 19.182 30.179 -4.646 1.00 0.00 C ATOM 291 C HIS A 20 18.690 31.436 -3.931 1.00 0.00 C ATOM 292 O HIS A 20 19.499 32.259 -3.515 1.00 0.00 O ATOM 293 CB HIS A 20 19.331 30.462 -6.142 1.00 0.00 C ATOM 294 CG HIS A 20 19.870 29.291 -6.918 1.00 0.00 C ATOM 295 ND1 HIS A 20 19.965 29.292 -8.304 1.00 0.00 N ATOM 296 CD2 HIS A 20 20.357 28.071 -6.533 1.00 0.00 C ATOM 297 CE1 HIS A 20 20.485 28.102 -8.658 1.00 0.00 C ATOM 298 NE2 HIS A 20 20.747 27.305 -7.622 1.00 0.00 N ATOM 0 H HIS A 20 17.831 28.709 -5.283 1.00 0.00 H new ATOM 0 HA HIS A 20 20.153 29.896 -4.239 1.00 0.00 H new ATOM 0 HB2 HIS A 20 18.360 30.744 -6.550 1.00 0.00 H new ATOM 0 HB3 HIS A 20 19.994 31.316 -6.279 1.00 0.00 H new ATOM 0 HD1 HIS A 20 19.693 30.048 -8.932 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.429 27.744 -5.506 1.00 0.00 H new ATOM 0 HE1 HIS A 20 20.672 27.820 -9.684 1.00 0.00 H new ATOM 306 N VAL A 21 17.365 31.591 -3.795 1.00 0.00 N ATOM 307 CA VAL A 21 16.794 32.752 -3.128 1.00 0.00 C ATOM 308 C VAL A 21 17.218 32.757 -1.658 1.00 0.00 C ATOM 309 O VAL A 21 17.739 33.756 -1.167 1.00 0.00 O ATOM 310 CB VAL A 21 15.262 32.731 -3.256 1.00 0.00 C ATOM 311 CG1 VAL A 21 14.666 33.928 -2.512 1.00 0.00 C ATOM 312 CG2 VAL A 21 14.865 32.800 -4.735 1.00 0.00 C ATOM 0 H VAL A 21 16.676 30.923 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 21 17.163 33.662 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 21 14.880 31.807 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.580 33.910 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.941 33.875 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.052 34.852 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.779 32.785 -4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.251 33.721 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.283 31.944 -5.264 1.00 0.00 H new ATOM 322 N ILE A 22 16.999 31.634 -0.962 1.00 0.00 N ATOM 323 CA ILE A 22 17.365 31.510 0.445 1.00 0.00 C ATOM 324 C ILE A 22 18.884 31.607 0.593 1.00 0.00 C ATOM 325 O ILE A 22 19.382 32.371 1.418 1.00 0.00 O ATOM 326 CB ILE A 22 16.845 30.166 0.990 1.00 0.00 C ATOM 327 CG1 ILE A 22 15.337 30.268 1.286 1.00 0.00 C ATOM 328 CG2 ILE A 22 17.598 29.788 2.273 1.00 0.00 C ATOM 329 CD1 ILE A 22 15.092 30.992 2.620 1.00 0.00 C ATOM 0 H ILE A 22 16.568 30.798 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 22 16.913 32.319 1.019 1.00 0.00 H new ATOM 0 HB ILE A 22 17.013 29.395 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.838 30.804 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.900 29.270 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 22 17.222 28.836 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 22 18.663 29.697 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 22 17.445 30.561 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 22 14.020 31.053 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 22 15.572 30.439 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 22 15.509 31.998 2.570 1.00 0.00 H new ATOM 341 N ASN A 23 19.613 30.824 -0.208 1.00 0.00 N ATOM 342 CA ASN A 23 21.069 30.802 -0.164 1.00 0.00 C ATOM 343 C ASN A 23 21.629 32.195 -0.472 1.00 0.00 C ATOM 344 O ASN A 23 22.680 32.570 0.041 1.00 0.00 O ATOM 345 CB ASN A 23 21.571 29.771 -1.182 1.00 0.00 C ATOM 346 CG ASN A 23 23.015 29.355 -0.908 1.00 0.00 C ATOM 347 OD1 ASN A 23 23.686 29.926 -0.055 1.00 0.00 O ATOM 348 ND2 ASN A 23 23.488 28.347 -1.638 1.00 0.00 N ATOM 0 H ASN A 23 19.209 30.193 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 23 21.410 30.522 0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 23 20.928 28.891 -1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 23 21.498 30.188 -2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 23 24.444 28.021 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 23 22.894 27.901 -2.337 1.00 0.00 H new ATOM 355 N LYS A 24 20.916 32.957 -1.316 1.00 0.00 N ATOM 356 CA LYS A 24 21.320 34.300 -1.705 1.00 0.00 C ATOM 357 C LYS A 24 22.636 34.232 -2.487 1.00 0.00 C ATOM 358 O LYS A 24 23.557 35.008 -2.233 1.00 0.00 O ATOM 359 CB LYS A 24 21.445 35.186 -0.455 1.00 0.00 C ATOM 360 CG LYS A 24 21.346 36.665 -0.850 1.00 0.00 C ATOM 361 CD LYS A 24 21.272 37.542 0.408 1.00 0.00 C ATOM 362 CE LYS A 24 22.572 37.420 1.212 1.00 0.00 C ATOM 363 NZ LYS A 24 22.620 38.420 2.293 1.00 0.00 N ATOM 0 H LYS A 24 20.042 32.650 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 24 20.566 34.745 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.658 34.938 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.396 34.996 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 24 22.211 36.948 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.463 36.826 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.105 38.582 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.425 37.239 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.650 36.418 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 24 23.427 37.554 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 23.509 38.317 2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.569 39.375 1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.816 38.275 2.936 1.00 0.00 H new ATOM 377 N THR A 25 22.710 33.294 -3.443 1.00 0.00 N ATOM 378 CA THR A 25 23.895 33.105 -4.267 1.00 0.00 C ATOM 379 C THR A 25 23.561 33.421 -5.723 1.00 0.00 C ATOM 380 O THR A 25 23.752 34.551 -6.172 1.00 0.00 O ATOM 381 CB THR A 25 24.395 31.661 -4.111 1.00 0.00 C ATOM 382 OG1 THR A 25 23.306 30.765 -4.212 1.00 0.00 O ATOM 383 CG2 THR A 25 25.064 31.494 -2.745 1.00 0.00 C ATOM 0 H THR A 25 21.948 32.651 -3.660 1.00 0.00 H new ATOM 0 HA THR A 25 24.688 33.781 -3.947 1.00 0.00 H new ATOM 0 HB THR A 25 25.116 31.445 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.629 29.845 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 25 25.418 30.469 -2.636 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.908 32.180 -2.667 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.343 31.714 -1.958 1.00 0.00 H new ATOM 391 N ARG A 26 23.066 32.422 -6.463 1.00 0.00 N ATOM 392 CA ARG A 26 22.720 32.588 -7.868 1.00 0.00 C ATOM 393 C ARG A 26 21.233 32.916 -7.994 1.00 0.00 C ATOM 394 O ARG A 26 20.501 32.233 -8.714 1.00 0.00 O ATOM 395 CB ARG A 26 23.063 31.301 -8.635 1.00 0.00 C ATOM 396 CG ARG A 26 24.553 30.951 -8.478 1.00 0.00 C ATOM 397 CD ARG A 26 25.444 32.110 -8.954 1.00 0.00 C ATOM 398 NE ARG A 26 25.015 32.621 -10.266 1.00 0.00 N ATOM 399 CZ ARG A 26 25.269 31.991 -11.428 1.00 0.00 C ATOM 400 NH1 ARG A 26 25.951 30.836 -11.439 1.00 0.00 N ATOM 401 NH2 ARG A 26 24.837 32.518 -12.580 1.00 0.00 N ATOM 0 H ARG A 26 22.897 31.483 -6.102 1.00 0.00 H new ATOM 0 HA ARG A 26 23.292 33.411 -8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 26 22.451 30.478 -8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 26 22.824 31.427 -9.691 1.00 0.00 H new ATOM 0 HG2 ARG A 26 24.769 30.726 -7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 26 24.782 30.053 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 26 25.414 32.917 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 26 26.479 31.773 -9.015 1.00 0.00 H new ATOM 0 HE ARG A 26 24.498 33.499 -10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 26 26.281 30.430 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 26 26.140 30.364 -12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 26 24.317 33.395 -12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 26 25.028 32.042 -13.462 1.00 0.00 H new ATOM 415 N PHE A 27 20.789 33.964 -7.293 1.00 0.00 N ATOM 416 CA PHE A 27 19.398 34.383 -7.332 1.00 0.00 C ATOM 417 C PHE A 27 19.103 35.036 -8.681 1.00 0.00 C ATOM 418 O PHE A 27 19.957 35.720 -9.246 1.00 0.00 O ATOM 419 CB PHE A 27 19.117 35.354 -6.176 1.00 0.00 C ATOM 420 CG PHE A 27 20.102 36.502 -6.085 1.00 0.00 C ATOM 421 CD1 PHE A 27 19.941 37.639 -6.900 1.00 0.00 C ATOM 422 CD2 PHE A 27 21.181 36.434 -5.187 1.00 0.00 C ATOM 423 CE1 PHE A 27 20.858 38.701 -6.817 1.00 0.00 C ATOM 424 CE2 PHE A 27 22.097 37.496 -5.103 1.00 0.00 C ATOM 425 CZ PHE A 27 21.935 38.629 -5.918 1.00 0.00 C ATOM 0 H PHE A 27 21.382 34.536 -6.691 1.00 0.00 H new ATOM 0 HA PHE A 27 18.746 33.517 -7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 27 18.112 35.759 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 27 19.132 34.800 -5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 27 19.112 37.695 -7.590 1.00 0.00 H new ATOM 0 HD2 PHE A 27 21.306 35.564 -4.560 1.00 0.00 H new ATOM 0 HE1 PHE A 27 20.735 39.572 -7.444 1.00 0.00 H new ATOM 0 HE2 PHE A 27 22.925 37.441 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 27 22.639 39.445 -5.853 1.00 0.00 H new ATOM 435 N VAL A 28 17.889 34.820 -9.197 1.00 0.00 N ATOM 436 CA VAL A 28 17.488 35.377 -10.478 1.00 0.00 C ATOM 437 C VAL A 28 16.911 36.777 -10.258 1.00 0.00 C ATOM 438 O VAL A 28 15.693 36.957 -10.228 1.00 0.00 O ATOM 439 CB VAL A 28 16.466 34.441 -11.148 1.00 0.00 C ATOM 440 CG1 VAL A 28 16.208 34.903 -12.586 1.00 0.00 C ATOM 441 CG2 VAL A 28 17.013 33.008 -11.166 1.00 0.00 C ATOM 0 H VAL A 28 17.169 34.260 -8.740 1.00 0.00 H new ATOM 0 HA VAL A 28 18.348 35.463 -11.142 1.00 0.00 H new ATOM 0 HB VAL A 28 15.533 34.468 -10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.484 34.238 -13.057 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.815 35.920 -12.577 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.141 34.880 -13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.287 32.348 -11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 28 17.948 32.982 -11.726 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.193 32.674 -10.144 1.00 0.00 H new ATOM 451 N ALA A 29 17.803 37.767 -10.105 1.00 0.00 N ATOM 452 CA ALA A 29 17.410 39.157 -9.900 1.00 0.00 C ATOM 453 C ALA A 29 16.456 39.267 -8.703 1.00 0.00 C ATOM 454 O ALA A 29 16.620 38.552 -7.710 1.00 0.00 O ATOM 455 CB ALA A 29 16.769 39.695 -11.188 1.00 0.00 C ATOM 0 H ALA A 29 18.812 37.621 -10.121 1.00 0.00 H new ATOM 0 HA ALA A 29 18.288 39.762 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.473 40.734 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.488 39.635 -12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.890 39.099 -11.434 1.00 0.00 H new ATOM 461 N GLU A 30 15.469 40.166 -8.804 1.00 0.00 N ATOM 462 CA GLU A 30 14.482 40.380 -7.752 1.00 0.00 C ATOM 463 C GLU A 30 13.090 39.984 -8.243 1.00 0.00 C ATOM 464 O GLU A 30 12.228 39.644 -7.436 1.00 0.00 O ATOM 465 CB GLU A 30 14.506 41.851 -7.334 1.00 0.00 C ATOM 466 CG GLU A 30 15.790 42.138 -6.553 1.00 0.00 C ATOM 467 CD GLU A 30 15.803 43.561 -6.012 1.00 0.00 C ATOM 468 OE1 GLU A 30 15.375 44.460 -6.763 1.00 0.00 O ATOM 469 OE2 GLU A 30 16.248 43.718 -4.853 1.00 0.00 O ATOM 0 H GLU A 30 15.337 40.763 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 30 14.726 39.758 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.452 42.491 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.635 42.080 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.881 41.432 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.654 41.985 -7.200 1.00 0.00 H new ATOM 476 N GLU A 31 12.872 40.028 -9.564 1.00 0.00 N ATOM 477 CA GLU A 31 11.587 39.679 -10.154 1.00 0.00 C ATOM 478 C GLU A 31 11.171 38.274 -9.717 1.00 0.00 C ATOM 479 O GLU A 31 10.142 38.104 -9.061 1.00 0.00 O ATOM 480 CB GLU A 31 11.686 39.761 -11.685 1.00 0.00 C ATOM 481 CG GLU A 31 12.004 41.197 -12.122 1.00 0.00 C ATOM 482 CD GLU A 31 10.911 42.164 -11.677 1.00 0.00 C ATOM 483 OE1 GLU A 31 9.750 41.926 -12.074 1.00 0.00 O ATOM 484 OE2 GLU A 31 11.259 43.118 -10.951 1.00 0.00 O ATOM 0 H GLU A 31 13.580 40.305 -10.244 1.00 0.00 H new ATOM 0 HA GLU A 31 10.829 40.383 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.462 39.084 -12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.748 39.436 -12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.960 41.505 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.108 41.235 -13.206 1.00 0.00 H new ATOM 491 N THR A 32 11.973 37.264 -10.076 1.00 0.00 N ATOM 492 CA THR A 32 11.685 35.887 -9.719 1.00 0.00 C ATOM 493 C THR A 32 11.697 35.737 -8.198 1.00 0.00 C ATOM 494 O THR A 32 10.866 35.034 -7.639 1.00 0.00 O ATOM 495 CB THR A 32 12.733 34.976 -10.359 1.00 0.00 C ATOM 496 OG1 THR A 32 12.909 35.338 -11.712 1.00 0.00 O ATOM 497 CG2 THR A 32 12.279 33.517 -10.278 1.00 0.00 C ATOM 0 H THR A 32 12.829 37.386 -10.617 1.00 0.00 H new ATOM 0 HA THR A 32 10.698 35.605 -10.085 1.00 0.00 H new ATOM 0 HB THR A 32 13.676 35.087 -9.824 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.457 34.662 -12.163 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.032 32.876 -10.736 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.149 33.234 -9.233 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.333 33.401 -10.806 1.00 0.00 H new ATOM 505 N ARG A 33 12.651 36.406 -7.540 1.00 0.00 N ATOM 506 CA ARG A 33 12.792 36.354 -6.091 1.00 0.00 C ATOM 507 C ARG A 33 11.457 36.680 -5.415 1.00 0.00 C ATOM 508 O ARG A 33 11.019 35.960 -4.518 1.00 0.00 O ATOM 509 CB ARG A 33 13.872 37.356 -5.671 1.00 0.00 C ATOM 510 CG ARG A 33 14.561 36.878 -4.393 1.00 0.00 C ATOM 511 CD ARG A 33 15.442 37.999 -3.829 1.00 0.00 C ATOM 512 NE ARG A 33 16.399 38.480 -4.835 1.00 0.00 N ATOM 513 CZ ARG A 33 17.277 39.468 -4.603 1.00 0.00 C ATOM 514 NH1 ARG A 33 17.336 40.049 -3.396 1.00 0.00 N ATOM 515 NH2 ARG A 33 18.092 39.874 -5.581 1.00 0.00 N ATOM 0 H ARG A 33 13.343 36.996 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 33 13.085 35.351 -5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.606 37.468 -6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.426 38.337 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.815 36.583 -3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.167 35.997 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.814 38.826 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.982 37.636 -2.954 1.00 0.00 H new ATOM 0 HE ARG A 33 16.396 38.041 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.712 39.740 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.005 40.800 -3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.045 39.433 -6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.761 40.625 -5.409 1.00 0.00 H new ATOM 529 N ASN A 34 10.822 37.773 -5.846 1.00 0.00 N ATOM 530 CA ASN A 34 9.557 38.212 -5.284 1.00 0.00 C ATOM 531 C ASN A 34 8.433 37.264 -5.701 1.00 0.00 C ATOM 532 O ASN A 34 7.636 36.842 -4.866 1.00 0.00 O ATOM 533 CB ASN A 34 9.267 39.637 -5.761 1.00 0.00 C ATOM 534 CG ASN A 34 8.051 40.214 -5.047 1.00 0.00 C ATOM 535 OD1 ASN A 34 6.923 40.039 -5.498 1.00 0.00 O ATOM 536 ND2 ASN A 34 8.285 40.903 -3.931 1.00 0.00 N ATOM 0 H ASN A 34 11.175 38.372 -6.592 1.00 0.00 H new ATOM 0 HA ASN A 34 9.617 38.202 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.135 40.270 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.095 39.636 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.508 41.312 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.241 41.021 -3.596 1.00 0.00 H new ATOM 543 N ALA A 35 8.373 36.936 -6.999 1.00 0.00 N ATOM 544 CA ALA A 35 7.339 36.059 -7.537 1.00 0.00 C ATOM 545 C ALA A 35 7.302 34.729 -6.781 1.00 0.00 C ATOM 546 O ALA A 35 6.225 34.201 -6.516 1.00 0.00 O ATOM 547 CB ALA A 35 7.606 35.819 -9.024 1.00 0.00 C ATOM 0 H ALA A 35 9.037 37.271 -7.696 1.00 0.00 H new ATOM 0 HA ALA A 35 6.368 36.539 -7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.836 35.164 -9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.590 36.771 -9.555 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.583 35.351 -9.147 1.00 0.00 H new ATOM 553 N VAL A 36 8.478 34.192 -6.437 1.00 0.00 N ATOM 554 CA VAL A 36 8.574 32.928 -5.726 1.00 0.00 C ATOM 555 C VAL A 36 7.859 33.035 -4.378 1.00 0.00 C ATOM 556 O VAL A 36 6.907 32.300 -4.129 1.00 0.00 O ATOM 557 CB VAL A 36 10.057 32.555 -5.550 1.00 0.00 C ATOM 558 CG1 VAL A 36 10.216 31.498 -4.453 1.00 0.00 C ATOM 559 CG2 VAL A 36 10.602 31.989 -6.865 1.00 0.00 C ATOM 0 H VAL A 36 9.379 34.623 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 36 8.087 32.139 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 36 10.610 33.451 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.270 31.245 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.835 31.892 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.656 30.604 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.652 31.725 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.035 31.100 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.507 32.739 -7.651 1.00 0.00 H new ATOM 569 N TRP A 37 8.318 33.944 -3.511 1.00 0.00 N ATOM 570 CA TRP A 37 7.736 34.103 -2.185 1.00 0.00 C ATOM 571 C TRP A 37 6.246 34.431 -2.278 1.00 0.00 C ATOM 572 O TRP A 37 5.459 33.955 -1.459 1.00 0.00 O ATOM 573 CB TRP A 37 8.496 35.188 -1.420 1.00 0.00 C ATOM 574 CG TRP A 37 9.868 34.775 -0.984 1.00 0.00 C ATOM 575 CD1 TRP A 37 11.009 35.436 -1.240 1.00 0.00 C ATOM 576 CD2 TRP A 37 10.270 33.597 -0.217 1.00 0.00 C ATOM 577 NE1 TRP A 37 12.092 34.776 -0.708 1.00 0.00 N ATOM 578 CE2 TRP A 37 11.695 33.621 -0.062 1.00 0.00 C ATOM 579 CE3 TRP A 37 9.584 32.502 0.365 1.00 0.00 C ATOM 580 CZ2 TRP A 37 12.391 32.616 0.620 1.00 0.00 C ATOM 581 CZ3 TRP A 37 10.284 31.488 1.052 1.00 0.00 C ATOM 582 CH2 TRP A 37 11.682 31.543 1.175 1.00 0.00 C ATOM 0 H TRP A 37 9.092 34.579 -3.709 1.00 0.00 H new ATOM 0 HA TRP A 37 7.827 33.163 -1.641 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.577 36.074 -2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.917 35.473 -0.542 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.068 36.363 -1.791 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.058 35.096 -0.781 1.00 0.00 H new ATOM 0 HE3 TRP A 37 8.509 32.443 0.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.465 32.667 0.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 9.740 30.662 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.210 30.759 1.697 1.00 0.00 H new ATOM 593 N ALA A 38 5.858 35.232 -3.273 1.00 0.00 N ATOM 594 CA ALA A 38 4.463 35.589 -3.462 1.00 0.00 C ATOM 595 C ALA A 38 3.637 34.329 -3.730 1.00 0.00 C ATOM 596 O ALA A 38 2.674 34.059 -3.021 1.00 0.00 O ATOM 597 CB ALA A 38 4.342 36.577 -4.624 1.00 0.00 C ATOM 0 H ALA A 38 6.495 35.642 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 38 4.080 36.064 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.295 36.845 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.919 37.474 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.725 36.117 -5.535 1.00 0.00 H new ATOM 603 N ALA A 39 4.022 33.561 -4.757 1.00 0.00 N ATOM 604 CA ALA A 39 3.314 32.344 -5.137 1.00 0.00 C ATOM 605 C ALA A 39 3.272 31.349 -3.971 1.00 0.00 C ATOM 606 O ALA A 39 2.239 30.724 -3.725 1.00 0.00 O ATOM 607 CB ALA A 39 4.005 31.723 -6.349 1.00 0.00 C ATOM 0 H ALA A 39 4.831 33.769 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 39 2.285 32.594 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.481 30.812 -6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.990 32.430 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.038 31.483 -6.096 1.00 0.00 H new ATOM 613 N ILE A 40 4.398 31.200 -3.262 1.00 0.00 N ATOM 614 CA ILE A 40 4.504 30.269 -2.145 1.00 0.00 C ATOM 615 C ILE A 40 3.377 30.503 -1.137 1.00 0.00 C ATOM 616 O ILE A 40 2.622 29.577 -0.834 1.00 0.00 O ATOM 617 CB ILE A 40 5.907 30.418 -1.502 1.00 0.00 C ATOM 618 CG1 ILE A 40 6.935 29.670 -2.371 1.00 0.00 C ATOM 619 CG2 ILE A 40 5.927 29.831 -0.087 1.00 0.00 C ATOM 620 CD1 ILE A 40 8.355 29.913 -1.854 1.00 0.00 C ATOM 0 H ILE A 40 5.254 31.721 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 40 4.394 29.244 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 40 6.153 31.478 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.717 28.602 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.857 30.004 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.922 29.948 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.200 30.355 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.672 28.772 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.067 29.376 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.576 30.980 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.434 29.556 -0.827 1.00 0.00 H new ATOM 632 N LYS A 41 3.259 31.725 -0.610 1.00 0.00 N ATOM 633 CA LYS A 41 2.258 32.024 0.410 1.00 0.00 C ATOM 634 C LYS A 41 0.896 32.337 -0.214 1.00 0.00 C ATOM 635 O LYS A 41 -0.057 32.607 0.513 1.00 0.00 O ATOM 636 CB LYS A 41 2.748 33.195 1.274 1.00 0.00 C ATOM 637 CG LYS A 41 2.700 34.505 0.473 1.00 0.00 C ATOM 638 CD LYS A 41 3.545 35.583 1.166 1.00 0.00 C ATOM 639 CE LYS A 41 2.954 35.928 2.540 1.00 0.00 C ATOM 640 NZ LYS A 41 3.548 35.099 3.606 1.00 0.00 N ATOM 0 H LYS A 41 3.843 32.518 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 41 2.125 31.143 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.127 33.283 2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.767 33.005 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.072 34.335 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.669 34.845 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.570 35.231 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.584 36.478 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.127 36.982 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.874 35.780 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.796 34.574 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.224 34.428 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.043 35.710 4.286 1.00 0.00 H new ATOM 654 N GLU A 42 0.796 32.298 -1.548 1.00 0.00 N ATOM 655 CA GLU A 42 -0.456 32.568 -2.229 1.00 0.00 C ATOM 656 C GLU A 42 -1.240 31.269 -2.369 1.00 0.00 C ATOM 657 O GLU A 42 -2.438 31.235 -2.092 1.00 0.00 O ATOM 658 CB GLU A 42 -0.172 33.201 -3.597 1.00 0.00 C ATOM 659 CG GLU A 42 -1.475 33.377 -4.392 1.00 0.00 C ATOM 660 CD GLU A 42 -1.714 32.199 -5.336 1.00 0.00 C ATOM 661 OE1 GLU A 42 -0.848 31.992 -6.215 1.00 0.00 O ATOM 662 OE2 GLU A 42 -2.754 31.531 -5.162 1.00 0.00 O ATOM 0 H GLU A 42 1.574 32.081 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.056 33.271 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.312 34.168 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.521 32.573 -4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.314 33.469 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.431 34.303 -4.966 1.00 0.00 H new ATOM 669 N LEU A 43 -0.560 30.201 -2.805 1.00 0.00 N ATOM 670 CA LEU A 43 -1.202 28.915 -3.010 1.00 0.00 C ATOM 671 C LEU A 43 -1.538 28.256 -1.666 1.00 0.00 C ATOM 672 O LEU A 43 -2.616 28.498 -1.132 1.00 0.00 O ATOM 673 CB LEU A 43 -0.307 28.024 -3.885 1.00 0.00 C ATOM 674 CG LEU A 43 -0.640 28.272 -5.366 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.559 27.900 -6.241 1.00 0.00 C ATOM 676 CD2 LEU A 43 -1.845 27.418 -5.775 1.00 0.00 C ATOM 0 H LEU A 43 0.437 30.212 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.146 29.060 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.743 28.244 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.463 26.974 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.875 29.328 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.315 28.079 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.418 28.510 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.800 26.846 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.078 27.596 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.610 26.364 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.706 27.686 -5.162 1.00 0.00 H new ATOM 688 N HIS A 44 -0.637 27.410 -1.118 1.00 0.00 N ATOM 689 CA HIS A 44 -0.943 26.677 0.117 1.00 0.00 C ATOM 690 C HIS A 44 0.317 26.198 0.851 1.00 0.00 C ATOM 691 O HIS A 44 0.225 25.311 1.697 1.00 0.00 O ATOM 692 CB HIS A 44 -1.828 25.460 -0.221 1.00 0.00 C ATOM 693 CG HIS A 44 -3.227 25.826 -0.640 1.00 0.00 C ATOM 694 ND1 HIS A 44 -3.650 25.788 -1.965 1.00 0.00 N ATOM 695 CD2 HIS A 44 -4.329 26.235 0.068 1.00 0.00 C ATOM 696 CE1 HIS A 44 -4.943 26.169 -1.972 1.00 0.00 C ATOM 697 NE2 HIS A 44 -5.420 26.456 -0.761 1.00 0.00 N ATOM 0 H HIS A 44 0.288 27.224 -1.507 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.464 27.365 0.783 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.356 24.890 -1.021 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.878 24.806 0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.345 26.369 1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.536 26.235 -2.872 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.358 26.763 -0.506 1.00 0.00 H new ATOM 705 N TYR A 45 1.485 26.765 0.551 1.00 0.00 N ATOM 706 CA TYR A 45 2.712 26.359 1.238 1.00 0.00 C ATOM 707 C TYR A 45 2.616 26.792 2.700 1.00 0.00 C ATOM 708 O TYR A 45 2.661 27.986 2.994 1.00 0.00 O ATOM 709 CB TYR A 45 3.931 26.994 0.571 1.00 0.00 C ATOM 710 CG TYR A 45 5.239 26.657 1.269 1.00 0.00 C ATOM 711 CD1 TYR A 45 5.972 25.515 0.897 1.00 0.00 C ATOM 712 CD2 TYR A 45 5.722 27.497 2.293 1.00 0.00 C ATOM 713 CE1 TYR A 45 7.183 25.217 1.547 1.00 0.00 C ATOM 714 CE2 TYR A 45 6.932 27.195 2.937 1.00 0.00 C ATOM 715 CZ TYR A 45 7.662 26.056 2.565 1.00 0.00 C ATOM 716 OH TYR A 45 8.837 25.766 3.193 1.00 0.00 O ATOM 0 H TYR A 45 1.608 27.495 -0.151 1.00 0.00 H new ATOM 0 HA TYR A 45 2.826 25.277 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.984 26.662 -0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.805 28.076 0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.605 24.868 0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.161 28.373 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.746 24.340 1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.302 27.840 3.720 1.00 0.00 H new ATOM 0 HH TYR A 45 9.023 26.449 3.871 1.00 0.00 H new