USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 624 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 22 GLN : amide:sc= 3.32 K(o=4.1,f=1.4) USER MOD Set 1.2: A 62 SER OG : rot -64:sc= 0.816 USER MOD Set 2.1: A 0 GLN : amide:sc= 0.29 K(o=2.1,f=-9.2!) USER MOD Set 2.2: A -2 SER N :NH3+ 145:sc= 1.78 (180deg=0.142) USER MOD Single : A 1 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00091) USER MOD Single : A 2 SER OG : rot 180:sc= -0.15 USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= 0.0606 (180deg=-0.133) USER MOD Single : A 8 SER OG : rot 71:sc= 1.19 USER MOD Single : A -2 SER OG : rot 180:sc= 0.079 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc=-0.00763 (180deg=-0.18) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= 0.703 (180deg=0.0709) USER MOD Single : A 21 ASN : amide:sc= 0.329 K(o=0.33,f=-3.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.142 (180deg=-0.446) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -0.261 (180deg=-0.808) USER MOD Single : A 30 GLN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 33 GLN : amide:sc=-0.00114 K(o=-0.0011,f=-0.7) USER MOD Single : A 38 SER OG : rot -103:sc= 0.158 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0.859 (180deg=0.737) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0.613 (180deg=0.584) USER MOD Single : A 56 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.3) USER MOD Single : A 67 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0233) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0.711 (180deg=0.697) USER MOD Single : A 74 SER OG : rot 81:sc= 1.12 USER MOD Single : A 75 GLN : amide:sc= 1.17 K(o=1.2,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -2 -5.212 20.280 2.476 1.00 0.00 N ATOM 2 CA SER A -2 -5.665 19.047 3.135 1.00 0.00 C ATOM 3 C SER A -2 -4.462 18.251 3.636 1.00 0.00 C ATOM 4 O SER A -2 -3.349 18.765 3.587 1.00 0.00 O ATOM 5 CB SER A -2 -6.501 18.278 2.109 1.00 0.00 C ATOM 6 OG SER A -2 -7.201 19.260 1.360 1.00 0.00 O ATOM 0 H1 SER A -2 -5.843 20.500 1.679 1.00 0.00 H new ATOM 0 H2 SER A -2 -5.229 21.065 3.158 1.00 0.00 H new ATOM 0 H3 SER A -2 -4.242 20.149 2.123 1.00 0.00 H new ATOM 0 HA SER A -2 -6.276 19.252 4.014 1.00 0.00 H new ATOM 0 HB2 SER A -2 -5.865 17.674 1.462 1.00 0.00 H new ATOM 0 HB3 SER A -2 -7.194 17.596 2.602 1.00 0.00 H new ATOM 0 HG SER A -2 -7.755 18.820 0.682 1.00 0.00 H new ATOM 14 N ALA A -1 -4.654 17.012 4.096 1.00 0.00 N ATOM 15 CA ALA A -1 -3.549 16.171 4.541 1.00 0.00 C ATOM 16 C ALA A -1 -2.931 15.494 3.313 1.00 0.00 C ATOM 17 O ALA A -1 -2.966 14.270 3.199 1.00 0.00 O ATOM 18 CB ALA A -1 -4.063 15.153 5.565 1.00 0.00 C ATOM 0 H ALA A -1 -5.571 16.571 4.169 1.00 0.00 H new ATOM 0 HA ALA A -1 -2.777 16.763 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -3.238 14.524 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -4.486 15.679 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -4.831 14.531 5.106 1.00 0.00 H new ATOM 24 N GLN A 0 -2.379 16.290 2.391 1.00 0.00 N ATOM 25 CA GLN A 0 -1.777 15.803 1.151 1.00 0.00 C ATOM 26 C GLN A 0 -0.251 15.841 1.240 1.00 0.00 C ATOM 27 O GLN A 0 0.315 16.816 1.736 1.00 0.00 O ATOM 28 CB GLN A 0 -2.332 16.551 -0.079 1.00 0.00 C ATOM 29 CG GLN A 0 -1.800 17.971 -0.340 1.00 0.00 C ATOM 30 CD GLN A 0 -2.136 18.942 0.783 1.00 0.00 C ATOM 31 OE1 GLN A 0 -3.201 19.560 0.796 1.00 0.00 O ATOM 32 NE2 GLN A 0 -1.246 19.068 1.760 1.00 0.00 N ATOM 0 H GLN A 0 -2.339 17.304 2.489 1.00 0.00 H new ATOM 0 HA GLN A 0 -2.058 14.758 1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 0 -2.127 15.946 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 0 -3.416 16.610 0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 0 -0.718 17.931 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 0 -2.218 18.345 -1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 0 -0.372 18.544 1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 0 -1.437 19.689 2.547 1.00 0.00 H new ATOM 41 N LYS A 1 0.408 14.787 0.755 1.00 0.00 N ATOM 42 CA LYS A 1 1.857 14.650 0.737 1.00 0.00 C ATOM 43 C LYS A 1 2.303 14.665 -0.725 1.00 0.00 C ATOM 44 O LYS A 1 1.540 14.267 -1.605 1.00 0.00 O ATOM 45 CB LYS A 1 2.263 13.331 1.411 1.00 0.00 C ATOM 46 CG LYS A 1 1.664 13.138 2.813 1.00 0.00 C ATOM 47 CD LYS A 1 2.001 14.250 3.818 1.00 0.00 C ATOM 48 CE LYS A 1 3.511 14.411 4.025 1.00 0.00 C ATOM 49 NZ LYS A 1 3.802 15.372 5.104 1.00 0.00 N ATOM 0 H LYS A 1 -0.072 13.982 0.352 1.00 0.00 H new ATOM 0 HA LYS A 1 2.332 15.465 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.954 12.500 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.350 13.290 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.580 13.066 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.014 12.187 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.582 15.193 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 1 1.527 14.028 4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 1 3.953 13.444 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.974 14.750 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.831 15.448 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.415 16.304 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 3.366 15.043 5.989 1.00 0.00 H new ATOM 63 N SER A 2 3.527 15.120 -1.006 1.00 0.00 N ATOM 64 CA SER A 2 4.059 15.171 -2.361 1.00 0.00 C ATOM 65 C SER A 2 5.589 15.160 -2.289 1.00 0.00 C ATOM 66 O SER A 2 6.141 15.967 -1.537 1.00 0.00 O ATOM 67 CB SER A 2 3.559 16.434 -3.076 1.00 0.00 C ATOM 68 OG SER A 2 2.147 16.504 -3.074 1.00 0.00 O ATOM 0 H SER A 2 4.174 15.463 -0.296 1.00 0.00 H new ATOM 0 HA SER A 2 3.717 14.305 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.969 17.317 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.924 16.441 -4.103 1.00 0.00 H new ATOM 0 HG SER A 2 1.859 17.320 -3.535 1.00 0.00 H new ATOM 74 N PRO A 3 6.287 14.287 -3.041 1.00 0.00 N ATOM 75 CA PRO A 3 7.742 14.215 -3.046 1.00 0.00 C ATOM 76 C PRO A 3 8.406 15.588 -3.157 1.00 0.00 C ATOM 77 O PRO A 3 9.267 15.922 -2.350 1.00 0.00 O ATOM 78 CB PRO A 3 8.113 13.309 -4.223 1.00 0.00 C ATOM 79 CG PRO A 3 6.909 12.377 -4.321 1.00 0.00 C ATOM 80 CD PRO A 3 5.737 13.283 -3.942 1.00 0.00 C ATOM 0 HA PRO A 3 8.106 13.814 -2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.261 13.878 -5.141 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.036 12.760 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.795 11.970 -5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.999 11.529 -3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.300 13.748 -4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.944 12.714 -3.456 1.00 0.00 H new ATOM 88 N ALA A 4 8.005 16.389 -4.152 1.00 0.00 N ATOM 89 CA ALA A 4 8.565 17.718 -4.377 1.00 0.00 C ATOM 90 C ALA A 4 8.482 18.613 -3.147 1.00 0.00 C ATOM 91 O ALA A 4 9.415 19.339 -2.808 1.00 0.00 O ATOM 92 CB ALA A 4 7.898 18.369 -5.590 1.00 0.00 C ATOM 0 H ALA A 4 7.282 16.129 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 4 9.628 17.593 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.322 19.360 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.070 17.754 -6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.826 18.457 -5.412 1.00 0.00 H new ATOM 98 N GLU A 5 7.344 18.536 -2.477 1.00 0.00 N ATOM 99 CA GLU A 5 7.071 19.309 -1.276 1.00 0.00 C ATOM 100 C GLU A 5 8.004 18.812 -0.174 1.00 0.00 C ATOM 101 O GLU A 5 8.697 19.603 0.463 1.00 0.00 O ATOM 102 CB GLU A 5 5.584 19.211 -0.896 1.00 0.00 C ATOM 103 CG GLU A 5 5.223 20.090 0.310 1.00 0.00 C ATOM 104 CD GLU A 5 5.495 21.569 0.051 1.00 0.00 C ATOM 105 OE1 GLU A 5 4.674 22.178 -0.665 1.00 0.00 O ATOM 106 OE2 GLU A 5 6.528 22.056 0.561 1.00 0.00 O ATOM 0 H GLU A 5 6.574 17.927 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 5 7.265 20.369 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.974 19.505 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.338 18.173 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.169 19.954 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.795 19.764 1.178 1.00 0.00 H new ATOM 113 N LEU A 6 8.038 17.494 0.040 1.00 0.00 N ATOM 114 CA LEU A 6 8.911 16.901 1.046 1.00 0.00 C ATOM 115 C LEU A 6 10.370 17.262 0.798 1.00 0.00 C ATOM 116 O LEU A 6 11.128 17.524 1.730 1.00 0.00 O ATOM 117 CB LEU A 6 8.691 15.388 1.153 1.00 0.00 C ATOM 118 CG LEU A 6 7.313 15.030 1.736 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.131 13.511 1.696 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.175 15.500 3.191 1.00 0.00 C ATOM 0 H LEU A 6 7.469 16.820 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 6 8.645 17.326 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.791 14.939 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.470 14.955 1.780 1.00 0.00 H new ATOM 0 HG LEU A 6 6.554 15.532 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.156 13.250 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.194 13.164 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.914 13.035 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.189 15.230 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.941 15.022 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.297 16.582 3.237 1.00 0.00 H new ATOM 132 N LYS A 7 10.745 17.293 -0.471 1.00 0.00 N ATOM 133 CA LYS A 7 12.079 17.663 -0.913 1.00 0.00 C ATOM 134 C LYS A 7 12.323 19.131 -0.554 1.00 0.00 C ATOM 135 O LYS A 7 13.338 19.456 0.054 1.00 0.00 O ATOM 136 CB LYS A 7 12.263 17.378 -2.410 1.00 0.00 C ATOM 137 CG LYS A 7 13.752 17.415 -2.772 1.00 0.00 C ATOM 138 CD LYS A 7 13.949 17.200 -4.277 1.00 0.00 C ATOM 139 CE LYS A 7 15.437 17.160 -4.642 1.00 0.00 C ATOM 140 NZ LYS A 7 16.117 18.431 -4.330 1.00 0.00 N ATOM 0 H LYS A 7 10.116 17.056 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 7 12.826 17.056 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.845 16.402 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.719 18.116 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.179 18.374 -2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.286 16.644 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.473 16.267 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.458 18.002 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.921 16.347 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.544 16.943 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.630 18.766 -5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.412 19.142 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.789 18.283 -3.550 1.00 0.00 H new ATOM 154 N SER A 8 11.391 20.020 -0.909 1.00 0.00 N ATOM 155 CA SER A 8 11.496 21.441 -0.594 1.00 0.00 C ATOM 156 C SER A 8 11.686 21.636 0.914 1.00 0.00 C ATOM 157 O SER A 8 12.568 22.375 1.349 1.00 0.00 O ATOM 158 CB SER A 8 10.258 22.190 -1.097 1.00 0.00 C ATOM 159 OG SER A 8 10.103 22.005 -2.491 1.00 0.00 O ATOM 0 H SER A 8 10.545 19.772 -1.422 1.00 0.00 H new ATOM 0 HA SER A 8 12.368 21.853 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.371 21.831 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.352 23.253 -0.873 1.00 0.00 H new ATOM 0 HG SER A 8 9.828 21.082 -2.670 1.00 0.00 H new ATOM 165 N ILE A 9 10.861 20.958 1.717 1.00 0.00 N ATOM 166 CA ILE A 9 10.943 21.020 3.170 1.00 0.00 C ATOM 167 C ILE A 9 12.331 20.531 3.605 1.00 0.00 C ATOM 168 O ILE A 9 13.057 21.244 4.290 1.00 0.00 O ATOM 169 CB ILE A 9 9.771 20.228 3.781 1.00 0.00 C ATOM 170 CG1 ILE A 9 8.454 20.986 3.528 1.00 0.00 C ATOM 171 CG2 ILE A 9 9.977 20.009 5.285 1.00 0.00 C ATOM 172 CD1 ILE A 9 7.211 20.116 3.747 1.00 0.00 C ATOM 0 H ILE A 9 10.118 20.351 1.372 1.00 0.00 H new ATOM 0 HA ILE A 9 10.841 22.040 3.540 1.00 0.00 H new ATOM 0 HB ILE A 9 9.726 19.249 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.406 21.851 4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.450 21.365 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.135 19.448 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.898 19.450 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.045 20.974 5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.315 20.706 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.239 19.264 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.194 19.758 4.776 1.00 0.00 H new ATOM 184 N PHE A 10 12.711 19.320 3.189 1.00 0.00 N ATOM 185 CA PHE A 10 14.005 18.703 3.472 1.00 0.00 C ATOM 186 C PHE A 10 15.152 19.689 3.204 1.00 0.00 C ATOM 187 O PHE A 10 16.035 19.878 4.046 1.00 0.00 O ATOM 188 CB PHE A 10 14.107 17.426 2.623 1.00 0.00 C ATOM 189 CG PHE A 10 15.459 16.750 2.566 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.443 17.230 1.679 1.00 0.00 C ATOM 191 CD2 PHE A 10 15.670 15.541 3.251 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.652 16.537 1.530 1.00 0.00 C ATOM 193 CE2 PHE A 10 16.865 14.827 3.069 1.00 0.00 C ATOM 194 CZ PHE A 10 17.856 15.328 2.213 1.00 0.00 C ATOM 0 H PHE A 10 12.104 18.724 2.627 1.00 0.00 H new ATOM 0 HA PHE A 10 14.088 18.436 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.383 16.706 3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.807 17.671 1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.265 18.133 1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.911 15.160 3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.426 16.933 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.021 13.893 3.588 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.778 14.782 2.079 1.00 0.00 H new ATOM 204 N GLU A 11 15.133 20.327 2.029 1.00 0.00 N ATOM 205 CA GLU A 11 16.140 21.296 1.620 1.00 0.00 C ATOM 206 C GLU A 11 16.335 22.393 2.671 1.00 0.00 C ATOM 207 O GLU A 11 17.465 22.832 2.873 1.00 0.00 O ATOM 208 CB GLU A 11 15.807 21.888 0.245 1.00 0.00 C ATOM 209 CG GLU A 11 16.129 20.893 -0.878 1.00 0.00 C ATOM 210 CD GLU A 11 15.686 21.426 -2.236 1.00 0.00 C ATOM 211 OE1 GLU A 11 16.335 22.385 -2.706 1.00 0.00 O ATOM 212 OE2 GLU A 11 14.713 20.864 -2.783 1.00 0.00 O ATOM 0 H GLU A 11 14.405 20.179 1.330 1.00 0.00 H new ATOM 0 HA GLU A 11 17.089 20.766 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.751 22.155 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.374 22.807 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.201 20.695 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.633 19.943 -0.678 1.00 0.00 H new ATOM 219 N LYS A 12 15.264 22.834 3.341 1.00 0.00 N ATOM 220 CA LYS A 12 15.345 23.895 4.340 1.00 0.00 C ATOM 221 C LYS A 12 16.408 23.596 5.401 1.00 0.00 C ATOM 222 O LYS A 12 17.178 24.485 5.760 1.00 0.00 O ATOM 223 CB LYS A 12 13.966 24.125 4.979 1.00 0.00 C ATOM 224 CG LYS A 12 13.888 25.332 5.925 1.00 0.00 C ATOM 225 CD LYS A 12 14.200 26.659 5.216 1.00 0.00 C ATOM 226 CE LYS A 12 13.920 27.870 6.116 1.00 0.00 C ATOM 227 NZ LYS A 12 12.484 28.025 6.411 1.00 0.00 N ATOM 0 H LYS A 12 14.323 22.465 3.204 1.00 0.00 H new ATOM 0 HA LYS A 12 15.652 24.812 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.230 24.255 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.683 23.229 5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.890 25.383 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.589 25.190 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.246 26.669 4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.601 26.735 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.471 27.761 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.289 28.774 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.312 28.969 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.936 27.917 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.190 27.298 7.094 1.00 0.00 H new ATOM 241 N TYR A 13 16.449 22.357 5.901 1.00 0.00 N ATOM 242 CA TYR A 13 17.406 21.949 6.926 1.00 0.00 C ATOM 243 C TYR A 13 18.695 21.466 6.255 1.00 0.00 C ATOM 244 O TYR A 13 19.789 21.853 6.663 1.00 0.00 O ATOM 245 CB TYR A 13 16.846 20.871 7.875 1.00 0.00 C ATOM 246 CG TYR A 13 15.356 20.866 8.137 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.504 20.351 7.151 1.00 0.00 C ATOM 248 CD2 TYR A 13 14.842 21.117 9.425 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.131 20.245 7.388 1.00 0.00 C ATOM 250 CE2 TYR A 13 13.453 21.099 9.637 1.00 0.00 C ATOM 251 CZ TYR A 13 12.591 20.683 8.606 1.00 0.00 C ATOM 252 OH TYR A 13 11.252 20.569 8.832 1.00 0.00 O ATOM 0 H TYR A 13 15.819 21.612 5.605 1.00 0.00 H new ATOM 0 HA TYR A 13 17.615 22.820 7.547 1.00 0.00 H new ATOM 0 HB2 TYR A 13 17.118 19.896 7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.354 20.972 8.834 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.911 20.034 6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.513 21.322 10.246 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.484 19.825 6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.048 21.404 10.590 1.00 0.00 H new ATOM 0 HH TYR A 13 11.040 20.917 9.723 1.00 0.00 H new ATOM 262 N ALA A 14 18.569 20.622 5.222 1.00 0.00 N ATOM 263 CA ALA A 14 19.708 20.060 4.496 1.00 0.00 C ATOM 264 C ALA A 14 20.687 21.161 4.075 1.00 0.00 C ATOM 265 O ALA A 14 21.902 21.036 4.242 1.00 0.00 O ATOM 266 CB ALA A 14 19.199 19.218 3.309 1.00 0.00 C ATOM 0 H ALA A 14 17.665 20.310 4.867 1.00 0.00 H new ATOM 0 HA ALA A 14 20.270 19.395 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.048 18.800 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.571 18.408 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.618 19.850 2.638 1.00 0.00 H new ATOM 272 N ALA A 15 20.148 22.264 3.548 1.00 0.00 N ATOM 273 CA ALA A 15 20.929 23.411 3.111 1.00 0.00 C ATOM 274 C ALA A 15 21.818 23.982 4.224 1.00 0.00 C ATOM 275 O ALA A 15 22.848 24.577 3.918 1.00 0.00 O ATOM 276 CB ALA A 15 19.993 24.501 2.583 1.00 0.00 C ATOM 0 H ALA A 15 19.144 22.381 3.414 1.00 0.00 H new ATOM 0 HA ALA A 15 21.592 23.066 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.581 25.359 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.420 24.112 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.310 24.809 3.375 1.00 0.00 H new ATOM 282 N LYS A 16 21.434 23.821 5.497 1.00 0.00 N ATOM 283 CA LYS A 16 22.192 24.369 6.613 1.00 0.00 C ATOM 284 C LYS A 16 23.428 23.520 6.905 1.00 0.00 C ATOM 285 O LYS A 16 24.547 24.023 6.837 1.00 0.00 O ATOM 286 CB LYS A 16 21.316 24.504 7.867 1.00 0.00 C ATOM 287 CG LYS A 16 19.972 25.182 7.582 1.00 0.00 C ATOM 288 CD LYS A 16 19.288 25.573 8.899 1.00 0.00 C ATOM 289 CE LYS A 16 17.794 25.876 8.716 1.00 0.00 C ATOM 290 NZ LYS A 16 17.539 26.747 7.556 1.00 0.00 N ATOM 0 H LYS A 16 20.595 23.311 5.774 1.00 0.00 H new ATOM 0 HA LYS A 16 22.525 25.367 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.137 23.515 8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.855 25.078 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.126 26.068 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.329 24.508 7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.406 24.764 9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.785 26.448 9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.248 24.941 8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.409 26.353 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.701 27.335 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.363 27.360 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.372 26.162 6.713 1.00 0.00 H new ATOM 304 N GLU A 17 23.231 22.239 7.242 1.00 0.00 N ATOM 305 CA GLU A 17 24.320 21.328 7.575 1.00 0.00 C ATOM 306 C GLU A 17 24.067 19.951 6.968 1.00 0.00 C ATOM 307 O GLU A 17 23.078 19.285 7.278 1.00 0.00 O ATOM 308 CB GLU A 17 24.506 21.193 9.090 1.00 0.00 C ATOM 309 CG GLU A 17 24.792 22.514 9.824 1.00 0.00 C ATOM 310 CD GLU A 17 26.103 23.181 9.409 1.00 0.00 C ATOM 311 OE1 GLU A 17 27.006 22.446 8.950 1.00 0.00 O ATOM 312 OE2 GLU A 17 26.190 24.414 9.593 1.00 0.00 O ATOM 0 H GLU A 17 22.307 21.809 7.290 1.00 0.00 H new ATOM 0 HA GLU A 17 25.233 21.750 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.607 20.745 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.327 20.502 9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.970 23.206 9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 17 24.816 22.324 10.897 1.00 0.00 H new ATOM 319 N GLY A 18 24.992 19.520 6.117 1.00 0.00 N ATOM 320 CA GLY A 18 24.933 18.253 5.404 1.00 0.00 C ATOM 321 C GLY A 18 25.093 18.495 3.910 1.00 0.00 C ATOM 322 O GLY A 18 25.676 17.661 3.225 1.00 0.00 O ATOM 0 H GLY A 18 25.829 20.061 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.719 17.588 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 18 23.982 17.758 5.602 1.00 0.00 H new ATOM 326 N ASP A 19 24.569 19.632 3.436 1.00 0.00 N ATOM 327 CA ASP A 19 24.534 20.153 2.068 1.00 0.00 C ATOM 328 C ASP A 19 23.072 20.058 1.637 1.00 0.00 C ATOM 329 O ASP A 19 22.376 19.176 2.130 1.00 0.00 O ATOM 330 CB ASP A 19 25.460 19.441 1.062 1.00 0.00 C ATOM 331 CG ASP A 19 26.949 19.562 1.384 1.00 0.00 C ATOM 332 OD1 ASP A 19 27.303 20.470 2.168 1.00 0.00 O ATOM 333 OD2 ASP A 19 27.714 18.754 0.816 1.00 0.00 O ATOM 0 H ASP A 19 24.108 20.280 4.075 1.00 0.00 H new ATOM 0 HA ASP A 19 24.920 21.173 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 19 25.193 18.385 1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.281 19.851 0.068 1.00 0.00 H new ATOM 338 N PRO A 20 22.568 20.926 0.745 1.00 0.00 N ATOM 339 CA PRO A 20 21.162 20.930 0.354 1.00 0.00 C ATOM 340 C PRO A 20 20.547 19.572 -0.006 1.00 0.00 C ATOM 341 O PRO A 20 19.328 19.426 0.061 1.00 0.00 O ATOM 342 CB PRO A 20 21.035 21.961 -0.767 1.00 0.00 C ATOM 343 CG PRO A 20 22.235 22.887 -0.575 1.00 0.00 C ATOM 344 CD PRO A 20 23.294 22.003 0.085 1.00 0.00 C ATOM 0 HA PRO A 20 20.565 21.196 1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 20 21.054 21.485 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.096 22.509 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 20 22.586 23.285 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.982 23.741 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 20 23.988 21.608 -0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 20 23.884 22.572 0.803 1.00 0.00 H new ATOM 352 N ASN A 21 21.361 18.578 -0.380 1.00 0.00 N ATOM 353 CA ASN A 21 20.899 17.245 -0.736 1.00 0.00 C ATOM 354 C ASN A 21 21.019 16.218 0.396 1.00 0.00 C ATOM 355 O ASN A 21 20.744 15.045 0.143 1.00 0.00 O ATOM 356 CB ASN A 21 21.681 16.753 -1.960 1.00 0.00 C ATOM 357 CG ASN A 21 23.135 16.477 -1.584 1.00 0.00 C ATOM 358 OD1 ASN A 21 23.827 17.377 -1.117 1.00 0.00 O ATOM 359 ND2 ASN A 21 23.608 15.247 -1.764 1.00 0.00 N ATOM 0 H ASN A 21 22.373 18.686 -0.443 1.00 0.00 H new ATOM 0 HA ASN A 21 19.834 17.333 -0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.222 15.846 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.639 17.501 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.572 15.029 -1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.007 14.521 -2.154 1.00 0.00 H new ATOM 366 N GLN A 22 21.405 16.600 1.619 1.00 0.00 N ATOM 367 CA GLN A 22 21.506 15.660 2.729 1.00 0.00 C ATOM 368 C GLN A 22 21.092 16.238 4.043 1.00 0.00 C ATOM 369 O GLN A 22 21.191 17.443 4.232 1.00 0.00 O ATOM 370 CB GLN A 22 22.943 15.237 3.055 1.00 0.00 C ATOM 371 CG GLN A 22 23.863 15.097 1.837 1.00 0.00 C ATOM 372 CD GLN A 22 25.125 14.312 2.177 1.00 0.00 C ATOM 373 OE1 GLN A 22 25.199 13.120 1.897 1.00 0.00 O ATOM 374 NE2 GLN A 22 26.123 14.947 2.776 1.00 0.00 N ATOM 0 H GLN A 22 21.653 17.560 1.860 1.00 0.00 H new ATOM 0 HA GLN A 22 20.871 14.848 2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.376 15.968 3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.915 14.284 3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.327 14.595 1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.136 16.087 1.471 1.00 0.00 H new ATOM 0 HE21 GLN A 22 26.036 15.939 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.977 14.444 3.015 1.00 0.00 H new ATOM 383 N LEU A 23 20.727 15.347 4.967 1.00 0.00 N ATOM 384 CA LEU A 23 20.483 15.755 6.320 1.00 0.00 C ATOM 385 C LEU A 23 21.479 15.121 7.277 1.00 0.00 C ATOM 386 O LEU A 23 21.630 13.898 7.317 1.00 0.00 O ATOM 387 CB LEU A 23 19.057 15.402 6.771 1.00 0.00 C ATOM 388 CG LEU A 23 17.931 16.197 6.101 1.00 0.00 C ATOM 389 CD1 LEU A 23 16.596 15.512 6.394 1.00 0.00 C ATOM 390 CD2 LEU A 23 17.870 17.622 6.639 1.00 0.00 C ATOM 0 H LEU A 23 20.599 14.351 4.789 1.00 0.00 H new ATOM 0 HA LEU A 23 20.602 16.838 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 23 18.889 14.341 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 23 18.990 15.550 7.849 1.00 0.00 H new ATOM 0 HG LEU A 23 18.126 16.232 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.789 16.071 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.614 14.496 5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 23 16.432 15.480 7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 23 17.062 18.163 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.688 17.598 7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 23 18.816 18.126 6.443 1.00 0.00 H new ATOM 402 N SER A 24 22.133 15.980 8.062 1.00 0.00 N ATOM 403 CA SER A 24 23.020 15.560 9.128 1.00 0.00 C ATOM 404 C SER A 24 22.108 15.272 10.328 1.00 0.00 C ATOM 405 O SER A 24 20.984 15.777 10.370 1.00 0.00 O ATOM 406 CB SER A 24 24.006 16.683 9.461 1.00 0.00 C ATOM 407 OG SER A 24 24.616 17.161 8.281 1.00 0.00 O ATOM 0 H SER A 24 22.055 16.993 7.968 1.00 0.00 H new ATOM 0 HA SER A 24 23.609 14.685 8.852 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.485 17.497 9.965 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.767 16.316 10.150 1.00 0.00 H new ATOM 0 HG SER A 24 25.243 17.880 8.505 1.00 0.00 H new ATOM 413 N LYS A 25 22.567 14.485 11.304 1.00 0.00 N ATOM 414 CA LYS A 25 21.769 14.130 12.478 1.00 0.00 C ATOM 415 C LYS A 25 21.017 15.319 13.091 1.00 0.00 C ATOM 416 O LYS A 25 19.826 15.223 13.369 1.00 0.00 O ATOM 417 CB LYS A 25 22.646 13.434 13.528 1.00 0.00 C ATOM 418 CG LYS A 25 21.783 12.560 14.454 1.00 0.00 C ATOM 419 CD LYS A 25 22.605 11.822 15.522 1.00 0.00 C ATOM 420 CE LYS A 25 22.723 12.591 16.846 1.00 0.00 C ATOM 421 NZ LYS A 25 23.402 13.888 16.690 1.00 0.00 N ATOM 0 H LYS A 25 23.502 14.077 11.302 1.00 0.00 H new ATOM 0 HA LYS A 25 21.000 13.438 12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.398 12.819 13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.181 14.180 14.116 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.038 13.186 14.945 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.240 11.830 13.853 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.147 10.852 15.715 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.605 11.631 15.132 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.727 12.754 17.257 1.00 0.00 H new ATOM 0 HE3 LYS A 25 23.270 11.983 17.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.667 14.256 17.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.257 13.765 16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.762 14.561 16.222 1.00 0.00 H new ATOM 435 N GLU A 26 21.701 16.445 13.308 1.00 0.00 N ATOM 436 CA GLU A 26 21.088 17.632 13.895 1.00 0.00 C ATOM 437 C GLU A 26 19.903 18.130 13.058 1.00 0.00 C ATOM 438 O GLU A 26 18.828 18.431 13.581 1.00 0.00 O ATOM 439 CB GLU A 26 22.142 18.739 14.030 1.00 0.00 C ATOM 440 CG GLU A 26 23.300 18.327 14.951 1.00 0.00 C ATOM 441 CD GLU A 26 24.337 19.440 15.049 1.00 0.00 C ATOM 442 OE1 GLU A 26 25.060 19.624 14.046 1.00 0.00 O ATOM 443 OE2 GLU A 26 24.382 20.087 16.118 1.00 0.00 O ATOM 0 H GLU A 26 22.689 16.556 13.082 1.00 0.00 H new ATOM 0 HA GLU A 26 20.705 17.366 14.880 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.535 18.987 13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.671 19.641 14.422 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.915 18.094 15.944 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.769 17.420 14.570 1.00 0.00 H new ATOM 450 N GLU A 27 20.101 18.241 11.747 1.00 0.00 N ATOM 451 CA GLU A 27 19.085 18.738 10.833 1.00 0.00 C ATOM 452 C GLU A 27 17.917 17.763 10.752 1.00 0.00 C ATOM 453 O GLU A 27 16.755 18.171 10.802 1.00 0.00 O ATOM 454 CB GLU A 27 19.722 19.012 9.466 1.00 0.00 C ATOM 455 CG GLU A 27 20.839 20.060 9.563 1.00 0.00 C ATOM 456 CD GLU A 27 20.404 21.326 10.300 1.00 0.00 C ATOM 457 OE1 GLU A 27 19.531 22.034 9.756 1.00 0.00 O ATOM 458 OE2 GLU A 27 20.922 21.544 11.419 1.00 0.00 O ATOM 0 H GLU A 27 20.977 17.986 11.290 1.00 0.00 H new ATOM 0 HA GLU A 27 18.678 19.679 11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.127 18.085 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.957 19.358 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.696 19.624 10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.169 20.326 8.559 1.00 0.00 H new ATOM 465 N LEU A 28 18.226 16.471 10.643 1.00 0.00 N ATOM 466 CA LEU A 28 17.197 15.449 10.581 1.00 0.00 C ATOM 467 C LEU A 28 16.386 15.505 11.866 1.00 0.00 C ATOM 468 O LEU A 28 15.165 15.570 11.817 1.00 0.00 O ATOM 469 CB LEU A 28 17.810 14.075 10.262 1.00 0.00 C ATOM 470 CG LEU A 28 17.979 13.062 11.404 1.00 0.00 C ATOM 471 CD1 LEU A 28 16.686 12.362 11.846 1.00 0.00 C ATOM 472 CD2 LEU A 28 18.934 11.981 10.919 1.00 0.00 C ATOM 0 H LEU A 28 19.180 16.114 10.596 1.00 0.00 H new ATOM 0 HA LEU A 28 16.504 15.633 9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.194 13.608 9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.793 14.245 9.822 1.00 0.00 H new ATOM 0 HG LEU A 28 18.340 13.625 12.265 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.907 11.667 12.656 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.969 13.107 12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.262 11.815 11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.078 11.242 11.707 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.516 11.495 10.038 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.894 12.431 10.664 1.00 0.00 H new ATOM 484 N LYS A 29 17.061 15.501 13.016 1.00 0.00 N ATOM 485 CA LYS A 29 16.412 15.566 14.316 1.00 0.00 C ATOM 486 C LYS A 29 15.399 16.706 14.321 1.00 0.00 C ATOM 487 O LYS A 29 14.227 16.493 14.633 1.00 0.00 O ATOM 488 CB LYS A 29 17.463 15.757 15.419 1.00 0.00 C ATOM 489 CG LYS A 29 16.832 16.008 16.795 1.00 0.00 C ATOM 490 CD LYS A 29 15.934 14.865 17.305 1.00 0.00 C ATOM 491 CE LYS A 29 16.654 13.519 17.491 1.00 0.00 C ATOM 492 NZ LYS A 29 16.692 12.712 16.256 1.00 0.00 N ATOM 0 H LYS A 29 18.079 15.452 13.067 1.00 0.00 H new ATOM 0 HA LYS A 29 15.885 14.632 14.510 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.097 14.872 15.470 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.108 16.597 15.160 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.628 16.178 17.520 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.242 16.923 16.748 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.496 15.162 18.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.110 14.728 16.604 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.673 13.702 17.831 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.154 12.951 18.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.698 11.701 16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.854 12.923 15.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.551 12.942 15.717 1.00 0.00 H new ATOM 506 N GLN A 30 15.861 17.913 13.971 1.00 0.00 N ATOM 507 CA GLN A 30 14.985 19.071 13.929 1.00 0.00 C ATOM 508 C GLN A 30 13.777 18.768 13.033 1.00 0.00 C ATOM 509 O GLN A 30 12.637 18.941 13.462 1.00 0.00 O ATOM 510 CB GLN A 30 15.749 20.306 13.437 1.00 0.00 C ATOM 511 CG GLN A 30 16.693 20.855 14.512 1.00 0.00 C ATOM 512 CD GLN A 30 17.707 21.814 13.900 1.00 0.00 C ATOM 513 OE1 GLN A 30 17.533 23.027 13.923 1.00 0.00 O ATOM 514 NE2 GLN A 30 18.776 21.258 13.342 1.00 0.00 N ATOM 0 H GLN A 30 16.830 18.104 13.716 1.00 0.00 H new ATOM 0 HA GLN A 30 14.625 19.288 14.935 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.322 20.048 12.547 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.039 21.081 13.146 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.117 21.369 15.281 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.213 20.031 15.001 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.883 20.244 13.344 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.490 21.845 12.911 1.00 0.00 H new ATOM 523 N LEU A 31 14.019 18.307 11.799 1.00 0.00 N ATOM 524 CA LEU A 31 12.961 17.914 10.866 1.00 0.00 C ATOM 525 C LEU A 31 11.917 17.027 11.534 1.00 0.00 C ATOM 526 O LEU A 31 10.725 17.333 11.544 1.00 0.00 O ATOM 527 CB LEU A 31 13.567 17.286 9.595 1.00 0.00 C ATOM 528 CG LEU A 31 12.567 17.002 8.457 1.00 0.00 C ATOM 529 CD1 LEU A 31 13.344 16.763 7.157 1.00 0.00 C ATOM 530 CD2 LEU A 31 11.716 15.745 8.686 1.00 0.00 C ATOM 0 H LEU A 31 14.960 18.197 11.420 1.00 0.00 H new ATOM 0 HA LEU A 31 12.426 18.811 10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.343 17.951 9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.055 16.351 9.869 1.00 0.00 H new ATOM 0 HG LEU A 31 11.908 17.869 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.644 16.561 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.932 17.649 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.009 15.909 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.036 15.608 7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.367 14.875 8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.140 15.858 9.604 1.00 0.00 H new ATOM 542 N ILE A 32 12.393 15.925 12.093 1.00 0.00 N ATOM 543 CA ILE A 32 11.578 14.925 12.769 1.00 0.00 C ATOM 544 C ILE A 32 10.691 15.568 13.821 1.00 0.00 C ATOM 545 O ILE A 32 9.471 15.418 13.808 1.00 0.00 O ATOM 546 CB ILE A 32 12.430 13.777 13.350 1.00 0.00 C ATOM 547 CG1 ILE A 32 13.193 12.971 12.284 1.00 0.00 C ATOM 548 CG2 ILE A 32 11.563 12.823 14.184 1.00 0.00 C ATOM 549 CD1 ILE A 32 12.346 12.427 11.137 1.00 0.00 C ATOM 0 H ILE A 32 13.387 15.694 12.089 1.00 0.00 H new ATOM 0 HA ILE A 32 10.926 14.473 12.022 1.00 0.00 H new ATOM 0 HB ILE A 32 13.176 14.259 13.982 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.975 13.605 11.866 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.690 12.134 12.774 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.185 12.022 14.583 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.106 13.372 15.007 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.782 12.397 13.554 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.982 11.876 10.444 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.580 11.761 11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.870 13.255 10.612 1.00 0.00 H new ATOM 561 N GLN A 33 11.341 16.280 14.727 1.00 0.00 N ATOM 562 CA GLN A 33 10.706 16.968 15.842 1.00 0.00 C ATOM 563 C GLN A 33 9.649 17.960 15.353 1.00 0.00 C ATOM 564 O GLN A 33 8.565 18.042 15.924 1.00 0.00 O ATOM 565 CB GLN A 33 11.757 17.693 16.689 1.00 0.00 C ATOM 566 CG GLN A 33 12.599 16.704 17.501 1.00 0.00 C ATOM 567 CD GLN A 33 13.699 17.418 18.281 1.00 0.00 C ATOM 568 OE1 GLN A 33 14.359 18.316 17.769 1.00 0.00 O ATOM 569 NE2 GLN A 33 13.917 17.028 19.535 1.00 0.00 N ATOM 0 H GLN A 33 12.354 16.399 14.708 1.00 0.00 H new ATOM 0 HA GLN A 33 10.208 16.218 16.457 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.407 18.280 16.041 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.264 18.393 17.364 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.956 16.159 18.192 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.045 15.968 16.832 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.356 16.279 19.941 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.645 17.478 20.090 1.00 0.00 H new ATOM 578 N ALA A 34 9.972 18.722 14.310 1.00 0.00 N ATOM 579 CA ALA A 34 9.080 19.724 13.759 1.00 0.00 C ATOM 580 C ALA A 34 7.863 19.109 13.065 1.00 0.00 C ATOM 581 O ALA A 34 6.738 19.542 13.304 1.00 0.00 O ATOM 582 CB ALA A 34 9.861 20.615 12.789 1.00 0.00 C ATOM 0 H ALA A 34 10.867 18.656 13.825 1.00 0.00 H new ATOM 0 HA ALA A 34 8.695 20.321 14.585 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.195 21.370 12.372 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.677 21.105 13.321 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.268 20.005 11.983 1.00 0.00 H new ATOM 588 N GLU A 35 8.083 18.126 12.189 1.00 0.00 N ATOM 589 CA GLU A 35 7.018 17.535 11.390 1.00 0.00 C ATOM 590 C GLU A 35 6.269 16.360 12.023 1.00 0.00 C ATOM 591 O GLU A 35 5.041 16.325 11.951 1.00 0.00 O ATOM 592 CB GLU A 35 7.572 17.089 10.034 1.00 0.00 C ATOM 593 CG GLU A 35 8.156 18.230 9.194 1.00 0.00 C ATOM 594 CD GLU A 35 8.347 17.772 7.751 1.00 0.00 C ATOM 595 OE1 GLU A 35 7.326 17.729 7.030 1.00 0.00 O ATOM 596 OE2 GLU A 35 9.500 17.452 7.393 1.00 0.00 O ATOM 0 H GLU A 35 9.003 17.721 12.017 1.00 0.00 H new ATOM 0 HA GLU A 35 6.281 18.333 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.346 16.339 10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.775 16.606 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.491 19.093 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.111 18.549 9.612 1.00 0.00 H new ATOM 603 N PHE A 36 6.967 15.371 12.592 1.00 0.00 N ATOM 604 CA PHE A 36 6.299 14.160 13.069 1.00 0.00 C ATOM 605 C PHE A 36 7.133 13.336 14.060 1.00 0.00 C ATOM 606 O PHE A 36 7.596 12.246 13.722 1.00 0.00 O ATOM 607 CB PHE A 36 5.833 13.320 11.855 1.00 0.00 C ATOM 608 CG PHE A 36 6.664 13.447 10.582 1.00 0.00 C ATOM 609 CD1 PHE A 36 8.059 13.246 10.612 1.00 0.00 C ATOM 610 CD2 PHE A 36 6.056 13.898 9.393 1.00 0.00 C ATOM 611 CE1 PHE A 36 8.843 13.581 9.494 1.00 0.00 C ATOM 612 CE2 PHE A 36 6.841 14.220 8.273 1.00 0.00 C ATOM 613 CZ PHE A 36 8.239 14.104 8.340 1.00 0.00 C ATOM 0 H PHE A 36 7.977 15.385 12.731 1.00 0.00 H new ATOM 0 HA PHE A 36 5.430 14.473 13.647 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.819 12.271 12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.805 13.599 11.621 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.526 12.834 11.495 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.982 13.997 9.343 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.913 13.436 9.523 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.370 14.556 7.361 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.848 14.417 7.505 1.00 0.00 H new ATOM 623 N PRO A 37 7.313 13.797 15.309 1.00 0.00 N ATOM 624 CA PRO A 37 8.018 13.026 16.321 1.00 0.00 C ATOM 625 C PRO A 37 7.322 11.690 16.584 1.00 0.00 C ATOM 626 O PRO A 37 7.934 10.692 16.954 1.00 0.00 O ATOM 627 CB PRO A 37 8.086 13.917 17.565 1.00 0.00 C ATOM 628 CG PRO A 37 6.914 14.880 17.379 1.00 0.00 C ATOM 629 CD PRO A 37 6.833 15.047 15.862 1.00 0.00 C ATOM 0 HA PRO A 37 9.024 12.759 15.997 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.986 13.335 18.481 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.036 14.448 17.627 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.990 14.473 17.789 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.092 15.832 17.879 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.811 15.250 15.544 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.444 15.885 15.526 1.00 0.00 H new ATOM 637 N SER A 38 6.015 11.696 16.354 1.00 0.00 N ATOM 638 CA SER A 38 5.071 10.607 16.484 1.00 0.00 C ATOM 639 C SER A 38 5.218 9.544 15.384 1.00 0.00 C ATOM 640 O SER A 38 4.358 8.672 15.272 1.00 0.00 O ATOM 641 CB SER A 38 3.675 11.244 16.470 1.00 0.00 C ATOM 642 OG SER A 38 3.664 12.326 15.548 1.00 0.00 O ATOM 0 H SER A 38 5.551 12.549 16.042 1.00 0.00 H new ATOM 0 HA SER A 38 5.255 10.065 17.412 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.927 10.503 16.188 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.414 11.598 17.467 1.00 0.00 H new ATOM 0 HG SER A 38 3.710 13.174 16.038 1.00 0.00 H new ATOM 648 N LEU A 39 6.282 9.578 14.572 1.00 0.00 N ATOM 649 CA LEU A 39 6.502 8.577 13.529 1.00 0.00 C ATOM 650 C LEU A 39 6.684 7.164 14.090 1.00 0.00 C ATOM 651 O LEU A 39 6.611 6.198 13.334 1.00 0.00 O ATOM 652 CB LEU A 39 7.670 8.985 12.618 1.00 0.00 C ATOM 653 CG LEU A 39 9.059 9.017 13.288 1.00 0.00 C ATOM 654 CD1 LEU A 39 9.749 7.646 13.344 1.00 0.00 C ATOM 655 CD2 LEU A 39 9.966 9.932 12.464 1.00 0.00 C ATOM 0 H LEU A 39 7.007 10.294 14.621 1.00 0.00 H new ATOM 0 HA LEU A 39 5.596 8.543 12.924 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.709 8.294 11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.461 9.974 12.210 1.00 0.00 H new ATOM 0 HG LEU A 39 8.904 9.361 14.311 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.720 7.747 13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.131 6.951 13.912 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.886 7.266 12.332 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.955 9.970 12.920 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.049 9.544 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.541 10.935 12.435 1.00 0.00 H new ATOM 667 N LEU A 40 6.921 7.027 15.401 1.00 0.00 N ATOM 668 CA LEU A 40 7.134 5.763 16.102 1.00 0.00 C ATOM 669 C LEU A 40 5.840 4.939 16.213 1.00 0.00 C ATOM 670 O LEU A 40 5.479 4.475 17.295 1.00 0.00 O ATOM 671 CB LEU A 40 7.697 6.063 17.504 1.00 0.00 C ATOM 672 CG LEU A 40 8.958 6.945 17.529 1.00 0.00 C ATOM 673 CD1 LEU A 40 9.255 7.362 18.974 1.00 0.00 C ATOM 674 CD2 LEU A 40 10.176 6.206 16.970 1.00 0.00 C ATOM 0 H LEU A 40 6.971 7.832 16.026 1.00 0.00 H new ATOM 0 HA LEU A 40 7.843 5.165 15.529 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.920 6.551 18.093 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.924 5.118 17.997 1.00 0.00 H new ATOM 0 HG LEU A 40 8.768 7.818 16.904 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.148 7.987 18.996 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.409 7.923 19.372 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.419 6.473 19.583 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.046 6.861 17.004 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.368 5.316 17.569 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.982 5.914 15.938 1.00 0.00 H new ATOM 686 N LYS A 41 5.128 4.732 15.104 1.00 0.00 N ATOM 687 CA LYS A 41 3.877 3.991 15.054 1.00 0.00 C ATOM 688 C LYS A 41 4.193 2.494 15.038 1.00 0.00 C ATOM 689 O LYS A 41 3.895 1.791 14.076 1.00 0.00 O ATOM 690 CB LYS A 41 3.071 4.447 13.829 1.00 0.00 C ATOM 691 CG LYS A 41 2.742 5.943 13.918 1.00 0.00 C ATOM 692 CD LYS A 41 1.938 6.397 12.693 1.00 0.00 C ATOM 693 CE LYS A 41 1.510 7.864 12.817 1.00 0.00 C ATOM 694 NZ LYS A 41 2.665 8.774 12.919 1.00 0.00 N ATOM 0 H LYS A 41 5.418 5.087 14.193 1.00 0.00 H new ATOM 0 HA LYS A 41 3.262 4.186 15.933 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.639 4.249 12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.148 3.871 13.760 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.173 6.142 14.826 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.664 6.519 13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.539 6.267 11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.055 5.767 12.581 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.908 8.139 11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.877 7.983 13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.337 9.759 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.149 8.620 13.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.325 8.586 12.138 1.00 0.00 H new ATOM 708 N GLY A 42 4.821 2.021 16.116 1.00 0.00 N ATOM 709 CA GLY A 42 5.242 0.642 16.295 1.00 0.00 C ATOM 710 C GLY A 42 6.769 0.590 16.349 1.00 0.00 C ATOM 711 O GLY A 42 7.311 0.427 17.442 1.00 0.00 O ATOM 0 H GLY A 42 5.056 2.613 16.913 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.819 0.236 17.214 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.873 0.026 15.475 1.00 0.00 H new ATOM 715 N PRO A 43 7.476 0.726 15.212 1.00 0.00 N ATOM 716 CA PRO A 43 8.932 0.712 15.163 1.00 0.00 C ATOM 717 C PRO A 43 9.532 1.776 16.090 1.00 0.00 C ATOM 718 O PRO A 43 9.463 2.970 15.798 1.00 0.00 O ATOM 719 CB PRO A 43 9.304 0.961 13.693 1.00 0.00 C ATOM 720 CG PRO A 43 8.066 0.494 12.931 1.00 0.00 C ATOM 721 CD PRO A 43 6.933 0.894 13.873 1.00 0.00 C ATOM 0 HA PRO A 43 9.334 -0.239 15.513 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.518 2.013 13.505 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.191 0.398 13.402 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.978 0.981 11.960 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.082 -0.580 12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.622 1.924 13.700 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.055 0.266 13.722 1.00 0.00 H new ATOM 729 N ARG A 44 10.130 1.357 17.209 1.00 0.00 N ATOM 730 CA ARG A 44 10.722 2.257 18.194 1.00 0.00 C ATOM 731 C ARG A 44 12.084 2.788 17.721 1.00 0.00 C ATOM 732 O ARG A 44 13.085 2.686 18.426 1.00 0.00 O ATOM 733 CB ARG A 44 10.779 1.540 19.559 1.00 0.00 C ATOM 734 CG ARG A 44 10.357 2.435 20.738 1.00 0.00 C ATOM 735 CD ARG A 44 8.906 2.941 20.641 1.00 0.00 C ATOM 736 NE ARG A 44 8.007 1.912 20.100 1.00 0.00 N ATOM 737 CZ ARG A 44 7.484 0.883 20.780 1.00 0.00 C ATOM 738 NH1 ARG A 44 7.619 0.791 22.106 1.00 0.00 N ATOM 739 NH2 ARG A 44 6.839 -0.068 20.099 1.00 0.00 N ATOM 0 H ARG A 44 10.216 0.371 17.456 1.00 0.00 H new ATOM 0 HA ARG A 44 10.098 3.143 18.312 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.132 0.664 19.528 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.794 1.181 19.730 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.477 1.878 21.667 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.029 3.292 20.791 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.559 3.244 21.629 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.871 3.826 20.005 1.00 0.00 H new ATOM 0 HE ARG A 44 7.758 1.988 19.114 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.127 1.512 22.618 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.214 -0.000 22.606 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.754 -0.000 19.085 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.432 -0.862 20.593 1.00 0.00 H new ATOM 753 N THR A 45 12.131 3.360 16.515 1.00 0.00 N ATOM 754 CA THR A 45 13.324 3.899 15.904 1.00 0.00 C ATOM 755 C THR A 45 13.129 5.376 15.587 1.00 0.00 C ATOM 756 O THR A 45 12.468 5.719 14.611 1.00 0.00 O ATOM 757 CB THR A 45 13.613 3.111 14.626 1.00 0.00 C ATOM 758 OG1 THR A 45 14.153 1.857 14.983 1.00 0.00 O ATOM 759 CG2 THR A 45 14.604 3.861 13.738 1.00 0.00 C ATOM 0 H THR A 45 11.304 3.458 15.926 1.00 0.00 H new ATOM 0 HA THR A 45 14.167 3.809 16.589 1.00 0.00 H new ATOM 0 HB THR A 45 12.686 2.981 14.068 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.342 1.339 14.173 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.794 3.281 12.835 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.187 4.831 13.466 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.539 4.007 14.279 1.00 0.00 H new ATOM 767 N LEU A 46 13.735 6.244 16.395 1.00 0.00 N ATOM 768 CA LEU A 46 13.776 7.669 16.100 1.00 0.00 C ATOM 769 C LEU A 46 15.091 7.954 15.361 1.00 0.00 C ATOM 770 O LEU A 46 15.188 8.945 14.641 1.00 0.00 O ATOM 771 CB LEU A 46 13.669 8.496 17.389 1.00 0.00 C ATOM 772 CG LEU A 46 13.329 9.979 17.121 1.00 0.00 C ATOM 773 CD1 LEU A 46 11.846 10.161 16.764 1.00 0.00 C ATOM 774 CD2 LEU A 46 13.635 10.797 18.380 1.00 0.00 C ATOM 0 H LEU A 46 14.205 5.981 17.261 1.00 0.00 H new ATOM 0 HA LEU A 46 12.930 7.953 15.474 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.902 8.062 18.031 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.612 8.436 17.933 1.00 0.00 H new ATOM 0 HG LEU A 46 13.932 10.319 16.279 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.642 11.216 16.582 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.615 9.587 15.867 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.227 9.809 17.590 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.398 11.845 18.199 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.033 10.427 19.210 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.692 10.702 18.628 1.00 0.00 H new ATOM 786 N ASP A 47 16.117 7.101 15.554 1.00 0.00 N ATOM 787 CA ASP A 47 17.442 7.325 14.982 1.00 0.00 C ATOM 788 C ASP A 47 18.213 6.084 14.507 1.00 0.00 C ATOM 789 O ASP A 47 19.187 6.220 13.776 1.00 0.00 O ATOM 790 CB ASP A 47 18.235 8.098 16.045 1.00 0.00 C ATOM 791 CG ASP A 47 19.480 8.789 15.513 1.00 0.00 C ATOM 792 OD1 ASP A 47 19.302 9.753 14.737 1.00 0.00 O ATOM 793 OD2 ASP A 47 20.583 8.370 15.928 1.00 0.00 O ATOM 0 H ASP A 47 16.043 6.247 16.107 1.00 0.00 H new ATOM 0 HA ASP A 47 17.308 7.875 14.051 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.583 8.846 16.496 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.526 7.409 16.838 1.00 0.00 H new ATOM 798 N ASP A 48 17.816 4.867 14.872 1.00 0.00 N ATOM 799 CA ASP A 48 18.493 3.676 14.353 1.00 0.00 C ATOM 800 C ASP A 48 18.545 3.710 12.810 1.00 0.00 C ATOM 801 O ASP A 48 19.579 3.432 12.202 1.00 0.00 O ATOM 802 CB ASP A 48 17.791 2.418 14.879 1.00 0.00 C ATOM 803 CG ASP A 48 18.359 1.165 14.220 1.00 0.00 C ATOM 804 OD1 ASP A 48 19.408 0.694 14.709 1.00 0.00 O ATOM 805 OD2 ASP A 48 17.743 0.715 13.230 1.00 0.00 O ATOM 0 H ASP A 48 17.045 4.678 15.512 1.00 0.00 H new ATOM 0 HA ASP A 48 19.525 3.659 14.705 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.913 2.353 15.960 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.721 2.484 14.683 1.00 0.00 H new ATOM 810 N LEU A 49 17.427 4.082 12.173 1.00 0.00 N ATOM 811 CA LEU A 49 17.358 4.179 10.722 1.00 0.00 C ATOM 812 C LEU A 49 18.265 5.294 10.205 1.00 0.00 C ATOM 813 O LEU A 49 18.796 5.181 9.107 1.00 0.00 O ATOM 814 CB LEU A 49 15.912 4.261 10.203 1.00 0.00 C ATOM 815 CG LEU A 49 15.086 5.497 10.610 1.00 0.00 C ATOM 816 CD1 LEU A 49 15.313 6.706 9.693 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.594 5.143 10.519 1.00 0.00 C ATOM 0 H LEU A 49 16.557 4.320 12.649 1.00 0.00 H new ATOM 0 HA LEU A 49 17.746 3.249 10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.941 4.218 9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.380 3.372 10.543 1.00 0.00 H new ATOM 0 HG LEU A 49 15.401 5.765 11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.702 7.542 10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.365 6.991 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.033 6.446 8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.997 6.009 10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.350 4.855 9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.375 4.314 11.192 1.00 0.00 H new ATOM 829 N PHE A 50 18.471 6.362 10.983 1.00 0.00 N ATOM 830 CA PHE A 50 19.348 7.457 10.579 1.00 0.00 C ATOM 831 C PHE A 50 20.720 6.874 10.267 1.00 0.00 C ATOM 832 O PHE A 50 21.297 7.141 9.215 1.00 0.00 O ATOM 833 CB PHE A 50 19.430 8.527 11.683 1.00 0.00 C ATOM 834 CG PHE A 50 20.823 9.067 11.979 1.00 0.00 C ATOM 835 CD1 PHE A 50 21.400 10.043 11.152 1.00 0.00 C ATOM 836 CD2 PHE A 50 21.599 8.497 13.007 1.00 0.00 C ATOM 837 CE1 PHE A 50 22.653 10.586 11.471 1.00 0.00 C ATOM 838 CE2 PHE A 50 22.890 8.978 13.276 1.00 0.00 C ATOM 839 CZ PHE A 50 23.408 10.045 12.527 1.00 0.00 C ATOM 0 H PHE A 50 18.039 6.488 11.898 1.00 0.00 H new ATOM 0 HA PHE A 50 18.951 7.950 9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.789 9.362 11.402 1.00 0.00 H new ATOM 0 HB3 PHE A 50 19.021 8.107 12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 50 20.878 10.377 10.268 1.00 0.00 H new ATOM 0 HD2 PHE A 50 21.198 7.683 13.593 1.00 0.00 H new ATOM 0 HE1 PHE A 50 23.039 11.421 10.905 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.483 8.528 14.058 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.382 10.449 12.760 1.00 0.00 H new ATOM 849 N GLN A 51 21.224 6.065 11.200 1.00 0.00 N ATOM 850 CA GLN A 51 22.520 5.440 11.063 1.00 0.00 C ATOM 851 C GLN A 51 22.512 4.542 9.828 1.00 0.00 C ATOM 852 O GLN A 51 23.396 4.643 8.980 1.00 0.00 O ATOM 853 CB GLN A 51 22.845 4.686 12.360 1.00 0.00 C ATOM 854 CG GLN A 51 24.235 4.037 12.322 1.00 0.00 C ATOM 855 CD GLN A 51 24.553 3.330 13.635 1.00 0.00 C ATOM 856 OE1 GLN A 51 25.495 3.688 14.332 1.00 0.00 O ATOM 857 NE2 GLN A 51 23.767 2.317 13.991 1.00 0.00 N ATOM 0 H GLN A 51 20.739 5.831 12.066 1.00 0.00 H new ATOM 0 HA GLN A 51 23.308 6.178 10.914 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.791 5.376 13.202 1.00 0.00 H new ATOM 0 HB3 GLN A 51 22.092 3.917 12.529 1.00 0.00 H new ATOM 0 HG2 GLN A 51 24.282 3.322 11.501 1.00 0.00 H new ATOM 0 HG3 GLN A 51 24.989 4.799 12.125 1.00 0.00 H new ATOM 0 HE21 GLN A 51 22.989 2.040 13.392 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.942 1.818 14.863 1.00 0.00 H new ATOM 866 N GLU A 52 21.502 3.673 9.720 1.00 0.00 N ATOM 867 CA GLU A 52 21.363 2.780 8.574 1.00 0.00 C ATOM 868 C GLU A 52 21.411 3.573 7.258 1.00 0.00 C ATOM 869 O GLU A 52 22.011 3.127 6.285 1.00 0.00 O ATOM 870 CB GLU A 52 20.070 1.963 8.736 1.00 0.00 C ATOM 871 CG GLU A 52 19.926 0.813 7.725 1.00 0.00 C ATOM 872 CD GLU A 52 19.384 1.259 6.368 1.00 0.00 C ATOM 873 OE1 GLU A 52 18.355 1.968 6.373 1.00 0.00 O ATOM 874 OE2 GLU A 52 19.990 0.861 5.350 1.00 0.00 O ATOM 0 H GLU A 52 20.766 3.572 10.419 1.00 0.00 H new ATOM 0 HA GLU A 52 22.199 2.082 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.036 1.552 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.215 2.631 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.898 0.342 7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.262 0.055 8.141 1.00 0.00 H new ATOM 881 N LEU A 53 20.782 4.752 7.233 1.00 0.00 N ATOM 882 CA LEU A 53 20.719 5.630 6.073 1.00 0.00 C ATOM 883 C LEU A 53 21.940 6.545 5.906 1.00 0.00 C ATOM 884 O LEU A 53 21.907 7.425 5.047 1.00 0.00 O ATOM 885 CB LEU A 53 19.384 6.387 6.080 1.00 0.00 C ATOM 886 CG LEU A 53 18.146 5.471 6.007 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.885 6.330 6.143 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.067 4.654 4.711 1.00 0.00 C ATOM 0 H LEU A 53 20.291 5.127 8.044 1.00 0.00 H new ATOM 0 HA LEU A 53 20.759 5.004 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.324 6.990 6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.364 7.076 5.236 1.00 0.00 H new ATOM 0 HG LEU A 53 18.229 4.754 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.003 5.692 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.901 6.851 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.852 7.059 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.172 4.032 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.024 5.330 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.949 4.019 4.627 1.00 0.00 H new ATOM 900 N ASP A 54 23.024 6.357 6.670 1.00 0.00 N ATOM 901 CA ASP A 54 24.245 7.134 6.479 1.00 0.00 C ATOM 902 C ASP A 54 24.864 6.703 5.153 1.00 0.00 C ATOM 903 O ASP A 54 25.429 5.617 5.063 1.00 0.00 O ATOM 904 CB ASP A 54 25.250 6.868 7.606 1.00 0.00 C ATOM 905 CG ASP A 54 26.625 7.436 7.252 1.00 0.00 C ATOM 906 OD1 ASP A 54 26.665 8.614 6.830 1.00 0.00 O ATOM 907 OD2 ASP A 54 27.616 6.692 7.397 1.00 0.00 O ATOM 0 H ASP A 54 23.075 5.673 7.425 1.00 0.00 H new ATOM 0 HA ASP A 54 24.003 8.197 6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 54 24.893 7.319 8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 54 25.329 5.795 7.783 1.00 0.00 H new ATOM 912 N LYS A 55 24.763 7.556 4.134 1.00 0.00 N ATOM 913 CA LYS A 55 25.320 7.306 2.815 1.00 0.00 C ATOM 914 C LYS A 55 26.755 6.767 2.875 1.00 0.00 C ATOM 915 O LYS A 55 27.054 5.781 2.207 1.00 0.00 O ATOM 916 CB LYS A 55 25.232 8.604 2.007 1.00 0.00 C ATOM 917 CG LYS A 55 25.538 8.461 0.509 1.00 0.00 C ATOM 918 CD LYS A 55 24.384 7.780 -0.241 1.00 0.00 C ATOM 919 CE LYS A 55 24.655 7.667 -1.746 1.00 0.00 C ATOM 920 NZ LYS A 55 24.766 8.987 -2.393 1.00 0.00 N ATOM 0 H LYS A 55 24.283 8.453 4.208 1.00 0.00 H new ATOM 0 HA LYS A 55 24.741 6.524 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 55 24.229 9.016 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 55 25.924 9.328 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 55 25.721 9.446 0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 55 26.451 7.880 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.222 6.785 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 55 23.466 8.345 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 55 25.576 7.107 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 55 23.852 7.100 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 24.864 8.863 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.912 9.545 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 25.600 9.486 -2.023 1.00 0.00 H new ATOM 934 N ASN A 56 27.645 7.408 3.648 1.00 0.00 N ATOM 935 CA ASN A 56 29.033 6.953 3.757 1.00 0.00 C ATOM 936 C ASN A 56 29.814 7.557 4.932 1.00 0.00 C ATOM 937 O ASN A 56 30.498 6.828 5.641 1.00 0.00 O ATOM 938 CB ASN A 56 29.816 7.158 2.445 1.00 0.00 C ATOM 939 CG ASN A 56 30.097 8.625 2.139 1.00 0.00 C ATOM 940 OD1 ASN A 56 31.223 9.091 2.268 1.00 0.00 O ATOM 941 ND2 ASN A 56 29.074 9.372 1.734 1.00 0.00 N ATOM 0 H ASN A 56 27.427 8.237 4.202 1.00 0.00 H new ATOM 0 HA ASN A 56 28.945 5.886 3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 56 30.761 6.618 2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 56 29.252 6.723 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 56 29.216 10.360 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 56 28.147 8.957 1.635 1.00 0.00 H new ATOM 948 N GLY A 57 29.754 8.880 5.119 1.00 0.00 N ATOM 949 CA GLY A 57 30.535 9.586 6.127 1.00 0.00 C ATOM 950 C GLY A 57 30.387 9.086 7.565 1.00 0.00 C ATOM 951 O GLY A 57 31.327 8.535 8.131 1.00 0.00 O ATOM 0 H GLY A 57 29.154 9.492 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 57 31.587 9.526 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 57 30.258 10.640 6.100 1.00 0.00 H new ATOM 955 N ASP A 58 29.218 9.317 8.168 1.00 0.00 N ATOM 956 CA ASP A 58 28.948 8.951 9.558 1.00 0.00 C ATOM 957 C ASP A 58 27.448 9.009 9.830 1.00 0.00 C ATOM 958 O ASP A 58 26.853 8.044 10.300 1.00 0.00 O ATOM 959 CB ASP A 58 29.702 9.892 10.509 1.00 0.00 C ATOM 960 CG ASP A 58 29.286 9.668 11.960 1.00 0.00 C ATOM 961 OD1 ASP A 58 29.850 8.741 12.579 1.00 0.00 O ATOM 962 OD2 ASP A 58 28.407 10.430 12.421 1.00 0.00 O ATOM 0 H ASP A 58 28.429 9.766 7.702 1.00 0.00 H new ATOM 0 HA ASP A 58 29.296 7.933 9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 58 30.775 9.731 10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 58 29.507 10.927 10.229 1.00 0.00 H new ATOM 967 N GLY A 59 26.845 10.160 9.528 1.00 0.00 N ATOM 968 CA GLY A 59 25.427 10.404 9.725 1.00 0.00 C ATOM 969 C GLY A 59 24.885 11.296 8.615 1.00 0.00 C ATOM 970 O GLY A 59 24.248 12.309 8.890 1.00 0.00 O ATOM 0 H GLY A 59 27.342 10.958 9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.886 9.458 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 25.263 10.877 10.693 1.00 0.00 H new ATOM 974 N GLU A 60 25.154 10.915 7.366 1.00 0.00 N ATOM 975 CA GLU A 60 24.753 11.641 6.174 1.00 0.00 C ATOM 976 C GLU A 60 23.508 11.012 5.559 1.00 0.00 C ATOM 977 O GLU A 60 23.629 10.100 4.741 1.00 0.00 O ATOM 978 CB GLU A 60 25.871 11.510 5.139 1.00 0.00 C ATOM 979 CG GLU A 60 27.143 12.272 5.513 1.00 0.00 C ATOM 980 CD GLU A 60 28.097 12.271 4.325 1.00 0.00 C ATOM 981 OE1 GLU A 60 28.626 11.176 4.035 1.00 0.00 O ATOM 982 OE2 GLU A 60 28.249 13.350 3.712 1.00 0.00 O ATOM 0 H GLU A 60 25.675 10.063 7.156 1.00 0.00 H new ATOM 0 HA GLU A 60 24.555 12.678 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 60 26.114 10.455 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.509 11.874 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.898 13.296 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.619 11.807 6.377 1.00 0.00 H new ATOM 989 N VAL A 61 22.319 11.489 5.913 1.00 0.00 N ATOM 990 CA VAL A 61 21.106 10.939 5.335 1.00 0.00 C ATOM 991 C VAL A 61 20.782 11.765 4.098 1.00 0.00 C ATOM 992 O VAL A 61 19.972 12.693 4.122 1.00 0.00 O ATOM 993 CB VAL A 61 19.999 10.846 6.398 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.753 10.146 5.856 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.506 10.040 7.599 1.00 0.00 C ATOM 0 H VAL A 61 22.174 12.242 6.586 1.00 0.00 H new ATOM 0 HA VAL A 61 21.223 9.907 5.003 1.00 0.00 H new ATOM 0 HB VAL A 61 19.739 11.864 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.993 10.100 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.364 10.703 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.012 9.135 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.720 9.975 8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.781 9.037 7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.378 10.534 8.027 1.00 0.00 H new ATOM 1005 N SER A 62 21.459 11.410 3.005 1.00 0.00 N ATOM 1006 CA SER A 62 21.273 12.002 1.696 1.00 0.00 C ATOM 1007 C SER A 62 19.818 11.796 1.272 1.00 0.00 C ATOM 1008 O SER A 62 19.216 10.799 1.673 1.00 0.00 O ATOM 1009 CB SER A 62 22.203 11.286 0.726 1.00 0.00 C ATOM 1010 OG SER A 62 23.473 11.095 1.306 1.00 0.00 O ATOM 0 H SER A 62 22.171 10.680 3.015 1.00 0.00 H new ATOM 0 HA SER A 62 21.496 13.069 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.776 10.323 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 62 22.300 11.868 -0.190 1.00 0.00 H new ATOM 0 HG SER A 62 23.893 11.966 1.468 1.00 0.00 H new ATOM 1016 N PHE A 63 19.247 12.696 0.467 1.00 0.00 N ATOM 1017 CA PHE A 63 17.861 12.575 0.016 1.00 0.00 C ATOM 1018 C PHE A 63 17.581 11.161 -0.507 1.00 0.00 C ATOM 1019 O PHE A 63 16.578 10.541 -0.160 1.00 0.00 O ATOM 1020 CB PHE A 63 17.526 13.645 -1.030 1.00 0.00 C ATOM 1021 CG PHE A 63 16.041 13.713 -1.341 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.158 14.269 -0.397 1.00 0.00 C ATOM 1023 CD2 PHE A 63 15.528 13.116 -2.509 1.00 0.00 C ATOM 1024 CE1 PHE A 63 13.770 14.238 -0.621 1.00 0.00 C ATOM 1025 CE2 PHE A 63 14.141 13.101 -2.740 1.00 0.00 C ATOM 1026 CZ PHE A 63 13.261 13.666 -1.799 1.00 0.00 C ATOM 0 H PHE A 63 19.729 13.522 0.113 1.00 0.00 H new ATOM 0 HA PHE A 63 17.207 12.744 0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 63 17.863 14.617 -0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 63 18.076 13.436 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 63 15.548 14.721 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 63 16.200 12.670 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.095 14.654 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.750 12.654 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.197 13.660 -1.982 1.00 0.00 H new ATOM 1036 N GLU A 64 18.506 10.653 -1.325 1.00 0.00 N ATOM 1037 CA GLU A 64 18.464 9.315 -1.899 1.00 0.00 C ATOM 1038 C GLU A 64 18.127 8.263 -0.834 1.00 0.00 C ATOM 1039 O GLU A 64 17.315 7.373 -1.078 1.00 0.00 O ATOM 1040 CB GLU A 64 19.806 8.962 -2.564 1.00 0.00 C ATOM 1041 CG GLU A 64 20.350 10.038 -3.519 1.00 0.00 C ATOM 1042 CD GLU A 64 21.243 11.046 -2.799 1.00 0.00 C ATOM 1043 OE1 GLU A 64 22.454 10.759 -2.684 1.00 0.00 O ATOM 1044 OE2 GLU A 64 20.689 12.068 -2.335 1.00 0.00 O ATOM 0 H GLU A 64 19.329 11.182 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 64 17.679 9.311 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.546 8.779 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.688 8.030 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.915 9.560 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.516 10.562 -3.987 1.00 0.00 H new ATOM 1051 N GLU A 65 18.751 8.377 0.343 1.00 0.00 N ATOM 1052 CA GLU A 65 18.559 7.464 1.456 1.00 0.00 C ATOM 1053 C GLU A 65 17.268 7.837 2.191 1.00 0.00 C ATOM 1054 O GLU A 65 16.464 6.968 2.525 1.00 0.00 O ATOM 1055 CB GLU A 65 19.800 7.485 2.370 1.00 0.00 C ATOM 1056 CG GLU A 65 21.122 7.320 1.607 1.00 0.00 C ATOM 1057 CD GLU A 65 21.121 6.124 0.662 1.00 0.00 C ATOM 1058 OE1 GLU A 65 20.907 5.000 1.164 1.00 0.00 O ATOM 1059 OE2 GLU A 65 21.328 6.361 -0.548 1.00 0.00 O ATOM 0 H GLU A 65 19.415 9.124 0.545 1.00 0.00 H new ATOM 0 HA GLU A 65 18.450 6.439 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.821 8.426 2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.713 6.687 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.321 8.227 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 65 21.937 7.209 2.323 1.00 0.00 H new ATOM 1066 N PHE A 66 17.061 9.140 2.419 1.00 0.00 N ATOM 1067 CA PHE A 66 15.880 9.703 3.072 1.00 0.00 C ATOM 1068 C PHE A 66 14.595 9.097 2.501 1.00 0.00 C ATOM 1069 O PHE A 66 13.646 8.863 3.248 1.00 0.00 O ATOM 1070 CB PHE A 66 15.889 11.230 2.939 1.00 0.00 C ATOM 1071 CG PHE A 66 14.861 11.963 3.781 1.00 0.00 C ATOM 1072 CD1 PHE A 66 15.021 12.046 5.176 1.00 0.00 C ATOM 1073 CD2 PHE A 66 13.791 12.636 3.160 1.00 0.00 C ATOM 1074 CE1 PHE A 66 14.105 12.783 5.949 1.00 0.00 C ATOM 1075 CE2 PHE A 66 12.856 13.344 3.937 1.00 0.00 C ATOM 1076 CZ PHE A 66 13.012 13.417 5.331 1.00 0.00 C ATOM 0 H PHE A 66 17.736 9.853 2.143 1.00 0.00 H new ATOM 0 HA PHE A 66 15.910 9.451 4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.880 11.595 3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 66 15.727 11.488 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.848 11.543 5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.688 12.609 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.241 12.862 7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.018 13.832 3.461 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.294 13.959 5.928 1.00 0.00 H new ATOM 1086 N GLN A 67 14.565 8.820 1.188 1.00 0.00 N ATOM 1087 CA GLN A 67 13.441 8.166 0.518 1.00 0.00 C ATOM 1088 C GLN A 67 12.890 6.981 1.335 1.00 0.00 C ATOM 1089 O GLN A 67 11.677 6.786 1.418 1.00 0.00 O ATOM 1090 CB GLN A 67 13.862 7.661 -0.868 1.00 0.00 C ATOM 1091 CG GLN A 67 14.124 8.804 -1.856 1.00 0.00 C ATOM 1092 CD GLN A 67 14.520 8.278 -3.231 1.00 0.00 C ATOM 1093 OE1 GLN A 67 13.853 8.553 -4.222 1.00 0.00 O ATOM 1094 NE2 GLN A 67 15.610 7.521 -3.308 1.00 0.00 N ATOM 0 H GLN A 67 15.333 9.049 0.558 1.00 0.00 H new ATOM 0 HA GLN A 67 12.654 8.914 0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.763 7.055 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.082 7.012 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.230 9.420 -1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.916 9.446 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.145 7.309 -2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.912 7.152 -4.210 1.00 0.00 H new ATOM 1103 N VAL A 68 13.780 6.189 1.946 1.00 0.00 N ATOM 1104 CA VAL A 68 13.392 5.036 2.748 1.00 0.00 C ATOM 1105 C VAL A 68 12.485 5.481 3.900 1.00 0.00 C ATOM 1106 O VAL A 68 11.514 4.800 4.222 1.00 0.00 O ATOM 1107 CB VAL A 68 14.642 4.291 3.246 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.266 3.096 4.134 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.478 3.777 2.066 1.00 0.00 C ATOM 0 H VAL A 68 14.788 6.335 1.894 1.00 0.00 H new ATOM 0 HA VAL A 68 12.823 4.338 2.134 1.00 0.00 H new ATOM 0 HB VAL A 68 15.224 5.004 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.173 2.592 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.706 3.448 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.652 2.398 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.357 3.254 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.878 3.093 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.794 4.619 1.450 1.00 0.00 H new ATOM 1119 N LEU A 69 12.784 6.631 4.513 1.00 0.00 N ATOM 1120 CA LEU A 69 11.980 7.176 5.594 1.00 0.00 C ATOM 1121 C LEU A 69 10.711 7.771 4.987 1.00 0.00 C ATOM 1122 O LEU A 69 9.621 7.511 5.496 1.00 0.00 O ATOM 1123 CB LEU A 69 12.774 8.211 6.405 1.00 0.00 C ATOM 1124 CG LEU A 69 11.955 8.829 7.553 1.00 0.00 C ATOM 1125 CD1 LEU A 69 11.478 7.783 8.567 1.00 0.00 C ATOM 1126 CD2 LEU A 69 12.799 9.880 8.273 1.00 0.00 C ATOM 0 H LEU A 69 13.591 7.204 4.268 1.00 0.00 H new ATOM 0 HA LEU A 69 11.706 6.388 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.666 7.737 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.113 9.005 5.739 1.00 0.00 H new ATOM 0 HG LEU A 69 11.069 9.283 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.906 8.274 9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.848 7.050 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.341 7.281 9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.219 10.318 9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.696 9.411 8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.085 10.662 7.569 1.00 0.00 H new ATOM 1138 N VAL A 70 10.847 8.552 3.903 1.00 0.00 N ATOM 1139 CA VAL A 70 9.725 9.173 3.192 1.00 0.00 C ATOM 1140 C VAL A 70 8.616 8.146 2.974 1.00 0.00 C ATOM 1141 O VAL A 70 7.452 8.432 3.254 1.00 0.00 O ATOM 1142 CB VAL A 70 10.174 9.795 1.859 1.00 0.00 C ATOM 1143 CG1 VAL A 70 8.991 10.285 1.016 1.00 0.00 C ATOM 1144 CG2 VAL A 70 11.110 10.982 2.109 1.00 0.00 C ATOM 0 H VAL A 70 11.755 8.771 3.492 1.00 0.00 H new ATOM 0 HA VAL A 70 9.337 9.984 3.808 1.00 0.00 H new ATOM 0 HB VAL A 70 10.691 9.007 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.361 10.716 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.332 9.446 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.437 11.042 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.418 11.410 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.589 11.739 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.990 10.643 2.655 1.00 0.00 H new ATOM 1154 N LYS A 71 8.977 6.958 2.486 1.00 0.00 N ATOM 1155 CA LYS A 71 8.036 5.869 2.251 1.00 0.00 C ATOM 1156 C LYS A 71 7.150 5.602 3.478 1.00 0.00 C ATOM 1157 O LYS A 71 5.979 5.260 3.325 1.00 0.00 O ATOM 1158 CB LYS A 71 8.828 4.619 1.837 1.00 0.00 C ATOM 1159 CG LYS A 71 7.957 3.404 1.476 1.00 0.00 C ATOM 1160 CD LYS A 71 6.939 3.660 0.353 1.00 0.00 C ATOM 1161 CE LYS A 71 7.565 4.194 -0.943 1.00 0.00 C ATOM 1162 NZ LYS A 71 8.613 3.295 -1.461 1.00 0.00 N ATOM 0 H LYS A 71 9.940 6.726 2.242 1.00 0.00 H new ATOM 0 HA LYS A 71 7.355 6.149 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.455 4.868 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.497 4.342 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.608 2.582 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.421 3.079 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.412 2.731 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.194 4.373 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.788 4.317 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.991 5.180 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.950 3.648 -2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.406 3.264 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.222 2.339 -1.580 1.00 0.00 H new ATOM 1176 N LYS A 72 7.698 5.754 4.688 1.00 0.00 N ATOM 1177 CA LYS A 72 6.992 5.524 5.939 1.00 0.00 C ATOM 1178 C LYS A 72 6.217 6.777 6.355 1.00 0.00 C ATOM 1179 O LYS A 72 5.022 6.706 6.631 1.00 0.00 O ATOM 1180 CB LYS A 72 7.976 5.109 7.047 1.00 0.00 C ATOM 1181 CG LYS A 72 9.027 4.077 6.613 1.00 0.00 C ATOM 1182 CD LYS A 72 8.405 2.777 6.087 1.00 0.00 C ATOM 1183 CE LYS A 72 9.493 1.772 5.686 1.00 0.00 C ATOM 1184 NZ LYS A 72 10.259 2.225 4.510 1.00 0.00 N ATOM 0 H LYS A 72 8.666 6.047 4.821 1.00 0.00 H new ATOM 0 HA LYS A 72 6.281 4.712 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.489 5.999 7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.409 4.702 7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.657 4.512 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.675 3.848 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.765 2.340 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.771 2.994 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.173 1.620 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.033 0.808 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.949 1.494 4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.609 2.394 3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.760 3.106 4.741 1.00 0.00 H new ATOM 1198 N ILE A 73 6.891 7.932 6.414 1.00 0.00 N ATOM 1199 CA ILE A 73 6.247 9.176 6.841 1.00 0.00 C ATOM 1200 C ILE A 73 5.106 9.601 5.910 1.00 0.00 C ATOM 1201 O ILE A 73 4.164 10.256 6.359 1.00 0.00 O ATOM 1202 CB ILE A 73 7.263 10.311 7.081 1.00 0.00 C ATOM 1203 CG1 ILE A 73 8.189 10.545 5.893 1.00 0.00 C ATOM 1204 CG2 ILE A 73 8.058 10.043 8.367 1.00 0.00 C ATOM 1205 CD1 ILE A 73 8.864 11.919 5.901 1.00 0.00 C ATOM 0 H ILE A 73 7.877 8.029 6.172 1.00 0.00 H new ATOM 0 HA ILE A 73 5.787 8.963 7.806 1.00 0.00 H new ATOM 0 HB ILE A 73 6.695 11.233 7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.958 9.772 5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.618 10.436 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.773 10.850 8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.374 9.991 9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.593 9.098 8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.507 12.013 5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.103 12.699 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.463 12.025 6.805 1.00 0.00 H new ATOM 1217 N SER A 74 5.159 9.242 4.624 1.00 0.00 N ATOM 1218 CA SER A 74 4.123 9.595 3.660 1.00 0.00 C ATOM 1219 C SER A 74 2.865 8.738 3.824 1.00 0.00 C ATOM 1220 O SER A 74 2.451 8.060 2.889 1.00 0.00 O ATOM 1221 CB SER A 74 4.676 9.499 2.234 1.00 0.00 C ATOM 1222 OG SER A 74 5.827 10.310 2.118 1.00 0.00 O ATOM 0 H SER A 74 5.924 8.698 4.226 1.00 0.00 H new ATOM 0 HA SER A 74 3.826 10.626 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.922 8.464 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.920 9.819 1.517 1.00 0.00 H new ATOM 0 HG SER A 74 6.602 9.833 2.482 1.00 0.00 H new ATOM 1228 N GLN A 75 2.247 8.789 5.006 1.00 0.00 N ATOM 1229 CA GLN A 75 1.008 8.095 5.330 1.00 0.00 C ATOM 1230 C GLN A 75 1.094 6.592 5.027 1.00 0.00 C ATOM 1231 O GLN A 75 1.394 5.846 5.957 1.00 0.00 O ATOM 1232 CB GLN A 75 -0.165 8.789 4.617 1.00 0.00 C ATOM 1233 CG GLN A 75 -0.230 10.281 4.981 1.00 0.00 C ATOM 1234 CD GLN A 75 -1.314 11.031 4.212 1.00 0.00 C ATOM 1235 OE1 GLN A 75 -2.012 10.466 3.378 1.00 0.00 O ATOM 1236 NE2 GLN A 75 -1.456 12.323 4.489 1.00 0.00 N ATOM 1237 OXT GLN A 75 0.642 6.177 3.962 1.00 0.00 O ATOM 0 H GLN A 75 2.611 9.334 5.787 1.00 0.00 H new ATOM 0 HA GLN A 75 0.833 8.157 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.055 8.679 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.101 8.303 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.414 10.382 6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.737 10.742 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.859 12.763 5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.162 12.874 4.002 1.00 0.00 H new TER 1246 GLN A 75