USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 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 14 TYR OH : rot 150:sc= 0.0109 USER MOD Set 1.2: A 50 GLN : amide:sc= 0.00925 X(o=0.02,f=0.31) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.00863 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00345) USER MOD Single : A 12 THR OG1 : rot 60:sc= 0.395 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.04! C(o=-2!,f=-4.9!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 27 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -114:sc= 0.564 USER MOD Single : A 30 GLN : amide:sc= -0.273 K(o=-0.27,f=-0.83) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00583 USER MOD Single : A 48 GLN : amide:sc= -0.388 K(o=-0.39,f=-0.96) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0827 K(o=-0.083,f=-1.4!) USER MOD Single : A 57 ASN : amide:sc= -1.03 K(o=-1,f=-2.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.12 (180deg=-0.62) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc=-0.00452 (180deg=-0.102) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 21:sc= 0.613 USER MOD Single : A 69 SER OG : rot 180:sc= -0.265 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.651 10.628 2.360 1.00 0.00 N ATOM 2 CA GLY A 1 20.238 10.884 2.571 1.00 0.00 C ATOM 3 C GLY A 1 19.441 10.834 1.282 1.00 0.00 C ATOM 4 O GLY A 1 19.567 9.889 0.503 1.00 0.00 O ATOM 0 H1 GLY A 1 22.152 10.673 3.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.774 9.683 1.944 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.041 11.344 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.839 10.149 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.114 11.863 3.033 1.00 0.00 H new ATOM 8 N SER A 2 18.618 11.853 1.058 1.00 0.00 N ATOM 9 CA SER A 2 17.792 11.918 -0.143 1.00 0.00 C ATOM 10 C SER A 2 17.625 13.361 -0.609 1.00 0.00 C ATOM 11 O SER A 2 17.822 14.301 0.162 1.00 0.00 O ATOM 12 CB SER A 2 16.421 11.293 0.121 1.00 0.00 C ATOM 13 OG SER A 2 15.645 12.110 0.979 1.00 0.00 O ATOM 0 H SER A 2 18.505 12.644 1.691 1.00 0.00 H new ATOM 0 HA SER A 2 18.294 11.356 -0.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.895 11.149 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.547 10.307 0.569 1.00 0.00 H new ATOM 0 HG SER A 2 14.773 11.689 1.131 1.00 0.00 H new ATOM 19 N SER A 3 17.260 13.529 -1.876 1.00 0.00 N ATOM 20 CA SER A 3 17.069 14.857 -2.447 1.00 0.00 C ATOM 21 C SER A 3 15.966 15.612 -1.712 1.00 0.00 C ATOM 22 O SER A 3 14.890 15.071 -1.460 1.00 0.00 O ATOM 23 CB SER A 3 16.726 14.751 -3.934 1.00 0.00 C ATOM 24 OG SER A 3 15.600 13.916 -4.139 1.00 0.00 O ATOM 0 H SER A 3 17.091 12.762 -2.527 1.00 0.00 H new ATOM 0 HA SER A 3 18.001 15.411 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.524 15.744 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.581 14.354 -4.480 1.00 0.00 H new ATOM 0 HG SER A 3 14.923 14.107 -3.457 1.00 0.00 H new ATOM 30 N GLY A 4 16.243 16.866 -1.369 1.00 0.00 N ATOM 31 CA GLY A 4 15.265 17.676 -0.666 1.00 0.00 C ATOM 32 C GLY A 4 14.329 18.404 -1.610 1.00 0.00 C ATOM 33 O GLY A 4 14.719 18.781 -2.715 1.00 0.00 O ATOM 0 H GLY A 4 17.127 17.336 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.682 17.040 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.782 18.403 -0.040 1.00 0.00 H new ATOM 37 N SER A 5 13.089 18.602 -1.174 1.00 0.00 N ATOM 38 CA SER A 5 12.092 19.285 -1.991 1.00 0.00 C ATOM 39 C SER A 5 11.429 20.414 -1.207 1.00 0.00 C ATOM 40 O SER A 5 11.097 20.258 -0.032 1.00 0.00 O ATOM 41 CB SER A 5 11.031 18.294 -2.474 1.00 0.00 C ATOM 42 OG SER A 5 11.512 17.523 -3.562 1.00 0.00 O ATOM 0 H SER A 5 12.751 18.300 -0.260 1.00 0.00 H new ATOM 0 HA SER A 5 12.599 19.714 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.745 17.634 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.134 18.835 -2.776 1.00 0.00 H new ATOM 0 HG SER A 5 10.817 16.896 -3.851 1.00 0.00 H new ATOM 48 N SER A 6 11.240 21.552 -1.867 1.00 0.00 N ATOM 49 CA SER A 6 10.621 22.710 -1.233 1.00 0.00 C ATOM 50 C SER A 6 9.102 22.656 -1.368 1.00 0.00 C ATOM 51 O SER A 6 8.373 22.929 -0.416 1.00 0.00 O ATOM 52 CB SER A 6 11.153 24.003 -1.852 1.00 0.00 C ATOM 53 OG SER A 6 12.363 24.405 -1.233 1.00 0.00 O ATOM 0 H SER A 6 11.507 21.697 -2.841 1.00 0.00 H new ATOM 0 HA SER A 6 10.876 22.692 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.318 23.858 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.408 24.792 -1.749 1.00 0.00 H new ATOM 0 HG SER A 6 12.683 25.233 -1.648 1.00 0.00 H new ATOM 59 N GLY A 7 8.632 22.301 -2.560 1.00 0.00 N ATOM 60 CA GLY A 7 7.203 22.217 -2.800 1.00 0.00 C ATOM 61 C GLY A 7 6.749 20.805 -3.111 1.00 0.00 C ATOM 62 O GLY A 7 7.563 19.944 -3.447 1.00 0.00 O ATOM 0 H GLY A 7 9.216 22.070 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.668 22.582 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.938 22.872 -3.630 1.00 0.00 H new ATOM 66 N ARG A 8 5.447 20.565 -2.998 1.00 0.00 N ATOM 67 CA ARG A 8 4.887 19.247 -3.267 1.00 0.00 C ATOM 68 C ARG A 8 3.566 19.361 -4.022 1.00 0.00 C ATOM 69 O ARG A 8 3.013 20.451 -4.166 1.00 0.00 O ATOM 70 CB ARG A 8 4.674 18.483 -1.959 1.00 0.00 C ATOM 71 CG ARG A 8 3.596 19.083 -1.071 1.00 0.00 C ATOM 72 CD ARG A 8 3.860 18.793 0.398 1.00 0.00 C ATOM 73 NE ARG A 8 2.860 19.410 1.265 1.00 0.00 N ATOM 74 CZ ARG A 8 2.636 19.027 2.517 1.00 0.00 C ATOM 75 NH1 ARG A 8 3.338 18.034 3.046 1.00 0.00 N ATOM 76 NH2 ARG A 8 1.708 19.638 3.244 1.00 0.00 N ATOM 0 H ARG A 8 4.760 21.267 -2.722 1.00 0.00 H new ATOM 0 HA ARG A 8 5.595 18.699 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.410 17.451 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.614 18.456 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.552 20.161 -1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.624 18.679 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.865 17.715 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.850 19.160 0.668 1.00 0.00 H new ATOM 0 HE ARG A 8 2.303 20.177 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.052 17.562 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.164 17.742 4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.166 20.402 2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.537 19.343 4.205 1.00 0.00 H new ATOM 90 N LYS A 9 3.065 18.228 -4.503 1.00 0.00 N ATOM 91 CA LYS A 9 1.809 18.199 -5.243 1.00 0.00 C ATOM 92 C LYS A 9 0.818 17.237 -4.595 1.00 0.00 C ATOM 93 O LYS A 9 1.195 16.220 -4.011 1.00 0.00 O ATOM 94 CB LYS A 9 2.059 17.789 -6.696 1.00 0.00 C ATOM 95 CG LYS A 9 2.752 18.861 -7.520 1.00 0.00 C ATOM 96 CD LYS A 9 2.782 18.498 -8.995 1.00 0.00 C ATOM 97 CE LYS A 9 3.067 19.714 -9.862 1.00 0.00 C ATOM 98 NZ LYS A 9 4.436 20.252 -9.630 1.00 0.00 N ATOM 0 H LYS A 9 3.510 17.317 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 9 1.381 19.201 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.665 16.883 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.106 17.542 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.236 19.812 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.771 18.998 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.545 17.739 -9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.826 18.061 -9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.956 19.445 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.331 20.490 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.604 21.059 -10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.524 20.564 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.138 19.509 -9.822 1.00 0.00 H new ATOM 112 N PRO A 10 -0.479 17.562 -4.701 1.00 0.00 N ATOM 113 CA PRO A 10 -1.550 16.738 -4.133 1.00 0.00 C ATOM 114 C PRO A 10 -1.720 15.416 -4.875 1.00 0.00 C ATOM 115 O PRO A 10 -1.958 14.376 -4.262 1.00 0.00 O ATOM 116 CB PRO A 10 -2.796 17.610 -4.303 1.00 0.00 C ATOM 117 CG PRO A 10 -2.480 18.504 -5.453 1.00 0.00 C ATOM 118 CD PRO A 10 -0.999 18.759 -5.383 1.00 0.00 C ATOM 0 HA PRO A 10 -1.345 16.459 -3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.679 17.003 -4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.003 18.185 -3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.751 18.034 -6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.040 19.437 -5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.564 18.877 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.774 19.669 -4.826 1.00 0.00 H new ATOM 126 N ARG A 11 -1.596 15.465 -6.197 1.00 0.00 N ATOM 127 CA ARG A 11 -1.736 14.271 -7.022 1.00 0.00 C ATOM 128 C ARG A 11 -0.733 13.200 -6.604 1.00 0.00 C ATOM 129 O ARG A 11 0.406 13.183 -7.073 1.00 0.00 O ATOM 130 CB ARG A 11 -1.541 14.620 -8.499 1.00 0.00 C ATOM 131 CG ARG A 11 -1.755 13.443 -9.436 1.00 0.00 C ATOM 132 CD ARG A 11 -0.932 13.586 -10.707 1.00 0.00 C ATOM 133 NE ARG A 11 -1.280 14.793 -11.452 1.00 0.00 N ATOM 134 CZ ARG A 11 -0.690 15.153 -12.586 1.00 0.00 C ATOM 135 NH1 ARG A 11 0.273 14.402 -13.103 1.00 0.00 N ATOM 136 NH2 ARG A 11 -1.062 16.266 -13.205 1.00 0.00 N ATOM 0 H ARG A 11 -1.399 16.318 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.742 13.877 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.232 15.419 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.533 15.009 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.484 12.518 -8.928 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.812 13.368 -9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.127 13.610 -10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.087 12.712 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.017 15.393 -11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.562 13.546 -12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.725 14.680 -13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.802 16.846 -12.810 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.608 16.541 -14.076 1.00 0.00 H new ATOM 150 N THR A 12 -1.163 12.307 -5.719 1.00 0.00 N ATOM 151 CA THR A 12 -0.303 11.234 -5.236 1.00 0.00 C ATOM 152 C THR A 12 -0.611 9.921 -5.946 1.00 0.00 C ATOM 153 O THR A 12 -1.726 9.710 -6.425 1.00 0.00 O ATOM 154 CB THR A 12 -0.457 11.031 -3.717 1.00 0.00 C ATOM 155 OG1 THR A 12 -0.202 12.262 -3.030 1.00 0.00 O ATOM 156 CG2 THR A 12 0.496 9.957 -3.215 1.00 0.00 C ATOM 0 H THR A 12 -2.102 12.305 -5.322 1.00 0.00 H new ATOM 0 HA THR A 12 0.723 11.530 -5.453 1.00 0.00 H new ATOM 0 HB THR A 12 -1.479 10.709 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.837 12.944 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.369 9.831 -2.140 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.280 9.015 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.523 10.254 -3.427 1.00 0.00 H new ATOM 164 N ILE A 13 0.382 9.041 -6.010 1.00 0.00 N ATOM 165 CA ILE A 13 0.216 7.747 -6.661 1.00 0.00 C ATOM 166 C ILE A 13 -1.089 7.083 -6.237 1.00 0.00 C ATOM 167 O ILE A 13 -1.602 6.201 -6.927 1.00 0.00 O ATOM 168 CB ILE A 13 1.388 6.801 -6.341 1.00 0.00 C ATOM 169 CG1 ILE A 13 2.711 7.423 -6.792 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.176 5.451 -7.009 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.922 6.835 -6.101 1.00 0.00 C ATOM 0 H ILE A 13 1.310 9.200 -5.619 1.00 0.00 H new ATOM 0 HA ILE A 13 0.194 7.934 -7.735 1.00 0.00 H new ATOM 0 HB ILE A 13 1.429 6.648 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.817 7.290 -7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.681 8.496 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.013 4.793 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.250 5.006 -6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.113 5.585 -8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.824 7.323 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.839 6.991 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.977 5.767 -6.309 1.00 0.00 H new ATOM 183 N TYR A 14 -1.623 7.512 -5.098 1.00 0.00 N ATOM 184 CA TYR A 14 -2.868 6.959 -4.581 1.00 0.00 C ATOM 185 C TYR A 14 -3.762 8.060 -4.019 1.00 0.00 C ATOM 186 O TYR A 14 -3.276 9.075 -3.520 1.00 0.00 O ATOM 187 CB TYR A 14 -2.578 5.919 -3.498 1.00 0.00 C ATOM 188 CG TYR A 14 -2.099 4.593 -4.044 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.790 4.431 -4.481 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.955 3.501 -4.121 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.349 3.221 -4.981 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.522 2.287 -4.619 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.218 2.153 -5.048 1.00 0.00 C ATOM 194 OH TYR A 14 -0.782 0.946 -5.544 1.00 0.00 O ATOM 0 H TYR A 14 -1.212 8.242 -4.516 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.392 6.477 -5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.824 6.316 -2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.482 5.756 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.106 5.265 -4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.977 3.603 -3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.671 3.112 -5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.200 1.448 -4.672 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.278 0.218 -5.116 1.00 0.00 H new ATOM 204 N SER A 15 -5.072 7.850 -4.102 1.00 0.00 N ATOM 205 CA SER A 15 -6.035 8.826 -3.605 1.00 0.00 C ATOM 206 C SER A 15 -6.106 8.791 -2.081 1.00 0.00 C ATOM 207 O SER A 15 -5.795 7.776 -1.457 1.00 0.00 O ATOM 208 CB SER A 15 -7.419 8.554 -4.197 1.00 0.00 C ATOM 209 OG SER A 15 -8.387 9.438 -3.657 1.00 0.00 O ATOM 0 H SER A 15 -5.491 7.013 -4.508 1.00 0.00 H new ATOM 0 HA SER A 15 -5.703 9.817 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.383 8.667 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.709 7.523 -3.993 1.00 0.00 H new ATOM 0 HG SER A 15 -9.263 9.245 -4.052 1.00 0.00 H new ATOM 215 N SER A 16 -6.517 9.907 -1.488 1.00 0.00 N ATOM 216 CA SER A 16 -6.625 10.007 -0.038 1.00 0.00 C ATOM 217 C SER A 16 -7.617 8.982 0.505 1.00 0.00 C ATOM 218 O SER A 16 -7.432 8.440 1.595 1.00 0.00 O ATOM 219 CB SER A 16 -7.060 11.418 0.367 1.00 0.00 C ATOM 220 OG SER A 16 -8.298 11.760 -0.230 1.00 0.00 O ATOM 0 H SER A 16 -6.781 10.755 -1.990 1.00 0.00 H new ATOM 0 HA SER A 16 -5.644 9.800 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.147 11.478 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.297 12.137 0.068 1.00 0.00 H new ATOM 0 HG SER A 16 -8.555 12.665 0.045 1.00 0.00 H new ATOM 226 N PHE A 17 -8.669 8.722 -0.263 1.00 0.00 N ATOM 227 CA PHE A 17 -9.691 7.763 0.139 1.00 0.00 C ATOM 228 C PHE A 17 -9.123 6.348 0.183 1.00 0.00 C ATOM 229 O PHE A 17 -9.393 5.588 1.112 1.00 0.00 O ATOM 230 CB PHE A 17 -10.880 7.819 -0.823 1.00 0.00 C ATOM 231 CG PHE A 17 -11.639 6.526 -0.912 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.344 6.044 0.180 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.650 5.793 -2.087 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.043 4.855 0.101 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.348 4.603 -2.173 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.046 4.134 -1.077 1.00 0.00 C ATOM 0 H PHE A 17 -8.836 9.162 -1.168 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.030 8.030 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.559 8.609 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.522 8.090 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.347 6.604 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.106 6.156 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.587 4.490 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.348 4.041 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.593 3.205 -1.141 1.00 0.00 H new ATOM 246 N GLN A 18 -8.335 6.002 -0.830 1.00 0.00 N ATOM 247 CA GLN A 18 -7.729 4.678 -0.909 1.00 0.00 C ATOM 248 C GLN A 18 -6.619 4.525 0.126 1.00 0.00 C ATOM 249 O GLN A 18 -6.560 3.528 0.846 1.00 0.00 O ATOM 250 CB GLN A 18 -7.173 4.431 -2.312 1.00 0.00 C ATOM 251 CG GLN A 18 -8.243 4.384 -3.391 1.00 0.00 C ATOM 252 CD GLN A 18 -7.667 4.148 -4.773 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.544 4.555 -5.069 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.436 3.485 -5.630 1.00 0.00 N ATOM 0 H GLN A 18 -8.101 6.620 -1.607 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.502 3.939 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.459 5.218 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.624 3.490 -2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.954 3.592 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.798 5.322 -3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.361 3.165 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.101 3.296 -6.575 1.00 0.00 H new ATOM 263 N LEU A 19 -5.740 5.519 0.194 1.00 0.00 N ATOM 264 CA LEU A 19 -4.630 5.496 1.140 1.00 0.00 C ATOM 265 C LEU A 19 -5.137 5.341 2.571 1.00 0.00 C ATOM 266 O LEU A 19 -4.733 4.426 3.287 1.00 0.00 O ATOM 267 CB LEU A 19 -3.801 6.775 1.017 1.00 0.00 C ATOM 268 CG LEU A 19 -2.697 6.761 -0.041 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.877 8.039 0.026 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.805 5.541 0.136 1.00 0.00 C ATOM 0 H LEU A 19 -5.775 6.351 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.001 4.639 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.476 7.602 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.346 6.984 1.985 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.163 6.705 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.096 8.011 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.525 8.897 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.420 8.127 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.025 5.547 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.347 5.565 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.403 4.635 0.035 1.00 0.00 H new ATOM 282 N ALA A 20 -6.027 6.240 2.978 1.00 0.00 N ATOM 283 CA ALA A 20 -6.593 6.201 4.321 1.00 0.00 C ATOM 284 C ALA A 20 -6.780 4.764 4.796 1.00 0.00 C ATOM 285 O ALA A 20 -6.135 4.326 5.748 1.00 0.00 O ATOM 286 CB ALA A 20 -7.918 6.947 4.357 1.00 0.00 C ATOM 0 H ALA A 20 -6.372 7.004 2.397 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.894 6.692 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.329 6.910 5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.759 7.986 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.617 6.481 3.663 1.00 0.00 H new ATOM 292 N ALA A 21 -7.667 4.035 4.126 1.00 0.00 N ATOM 293 CA ALA A 21 -7.938 2.647 4.480 1.00 0.00 C ATOM 294 C ALA A 21 -6.670 1.803 4.399 1.00 0.00 C ATOM 295 O ALA A 21 -6.405 0.977 5.274 1.00 0.00 O ATOM 296 CB ALA A 21 -9.016 2.072 3.574 1.00 0.00 C ATOM 0 H ALA A 21 -8.210 4.383 3.335 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.294 2.623 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.208 1.035 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.932 2.652 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.682 2.116 2.537 1.00 0.00 H new ATOM 302 N LEU A 22 -5.891 2.013 3.344 1.00 0.00 N ATOM 303 CA LEU A 22 -4.651 1.271 3.148 1.00 0.00 C ATOM 304 C LEU A 22 -3.751 1.380 4.375 1.00 0.00 C ATOM 305 O LEU A 22 -3.498 0.390 5.060 1.00 0.00 O ATOM 306 CB LEU A 22 -3.913 1.789 1.912 1.00 0.00 C ATOM 307 CG LEU A 22 -4.487 1.365 0.560 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.811 2.126 -0.570 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.332 -0.136 0.362 1.00 0.00 C ATOM 0 H LEU A 22 -6.096 2.692 2.611 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.905 0.221 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.898 2.878 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.877 1.454 1.965 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.550 1.605 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.233 1.811 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.974 3.196 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.741 1.918 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.746 -0.420 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.275 -0.400 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.864 -0.664 1.153 1.00 0.00 H new ATOM 321 N GLN A 23 -3.274 2.591 4.646 1.00 0.00 N ATOM 322 CA GLN A 23 -2.404 2.829 5.792 1.00 0.00 C ATOM 323 C GLN A 23 -2.988 2.209 7.057 1.00 0.00 C ATOM 324 O GLN A 23 -2.274 1.580 7.838 1.00 0.00 O ATOM 325 CB GLN A 23 -2.194 4.330 5.996 1.00 0.00 C ATOM 326 CG GLN A 23 -1.051 4.902 5.172 1.00 0.00 C ATOM 327 CD GLN A 23 -0.720 6.333 5.547 1.00 0.00 C ATOM 328 OE1 GLN A 23 -1.408 6.948 6.362 1.00 0.00 O ATOM 329 NE2 GLN A 23 0.338 6.871 4.952 1.00 0.00 N ATOM 0 H GLN A 23 -3.475 3.421 4.089 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.442 2.359 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.114 4.855 5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.001 4.521 7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.165 4.281 5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.313 4.859 4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.880 6.324 4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.609 7.831 5.164 1.00 0.00 H new ATOM 338 N ARG A 24 -4.290 2.390 7.253 1.00 0.00 N ATOM 339 CA ARG A 24 -4.969 1.850 8.424 1.00 0.00 C ATOM 340 C ARG A 24 -4.848 0.329 8.469 1.00 0.00 C ATOM 341 O ARG A 24 -4.694 -0.259 9.539 1.00 0.00 O ATOM 342 CB ARG A 24 -6.444 2.255 8.417 1.00 0.00 C ATOM 343 CG ARG A 24 -6.720 3.563 9.140 1.00 0.00 C ATOM 344 CD ARG A 24 -5.625 4.585 8.880 1.00 0.00 C ATOM 345 NE ARG A 24 -5.961 5.898 9.424 1.00 0.00 N ATOM 346 CZ ARG A 24 -5.057 6.827 9.713 1.00 0.00 C ATOM 347 NH1 ARG A 24 -3.769 6.589 9.510 1.00 0.00 N ATOM 348 NH2 ARG A 24 -5.441 7.998 10.206 1.00 0.00 N ATOM 0 H ARG A 24 -4.896 2.907 6.615 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.491 2.262 9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.783 2.342 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.032 1.463 8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.679 3.965 8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.800 3.378 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.692 4.237 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.456 4.670 7.807 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.944 6.113 9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.470 5.691 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.077 7.304 9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.431 8.185 10.363 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.746 8.711 10.428 1.00 0.00 H new ATOM 362 N ARG A 25 -4.921 -0.300 7.301 1.00 0.00 N ATOM 363 CA ARG A 25 -4.821 -1.751 7.207 1.00 0.00 C ATOM 364 C ARG A 25 -3.377 -2.210 7.384 1.00 0.00 C ATOM 365 O ARG A 25 -3.111 -3.225 8.027 1.00 0.00 O ATOM 366 CB ARG A 25 -5.360 -2.235 5.860 1.00 0.00 C ATOM 367 CG ARG A 25 -5.507 -3.745 5.769 1.00 0.00 C ATOM 368 CD ARG A 25 -6.648 -4.247 6.640 1.00 0.00 C ATOM 369 NE ARG A 25 -7.948 -4.057 6.002 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.100 -4.065 6.664 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.112 -4.251 7.977 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.242 -3.885 6.013 1.00 0.00 N ATOM 0 H ARG A 25 -5.049 0.173 6.406 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.422 -2.183 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.330 -1.773 5.679 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.693 -1.895 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.685 -4.033 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.576 -4.222 6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.501 -5.305 6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.633 -3.722 7.595 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.973 -3.910 4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.236 -4.388 8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.998 -4.257 8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.236 -3.740 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.126 -3.891 6.522 1.00 0.00 H new ATOM 386 N PHE A 26 -2.447 -1.455 6.808 1.00 0.00 N ATOM 387 CA PHE A 26 -1.030 -1.785 6.900 1.00 0.00 C ATOM 388 C PHE A 26 -0.595 -1.914 8.357 1.00 0.00 C ATOM 389 O PHE A 26 -0.057 -2.942 8.765 1.00 0.00 O ATOM 390 CB PHE A 26 -0.189 -0.716 6.198 1.00 0.00 C ATOM 391 CG PHE A 26 1.197 -1.177 5.848 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.390 -2.328 5.100 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.306 -0.461 6.266 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.664 -2.755 4.776 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.582 -0.883 5.944 1.00 0.00 C ATOM 396 CZ PHE A 26 3.761 -2.032 5.199 1.00 0.00 C ATOM 0 H PHE A 26 -2.650 -0.611 6.273 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.873 -2.744 6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.700 -0.403 5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.120 0.161 6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.535 -2.898 4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.172 0.437 6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.801 -3.653 4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.439 -0.315 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.757 -2.364 4.948 1.00 0.00 H new ATOM 406 N GLN A 27 -0.832 -0.862 9.134 1.00 0.00 N ATOM 407 CA GLN A 27 -0.464 -0.857 10.545 1.00 0.00 C ATOM 408 C GLN A 27 -0.973 -2.113 11.245 1.00 0.00 C ATOM 409 O GLN A 27 -0.218 -2.806 11.927 1.00 0.00 O ATOM 410 CB GLN A 27 -1.023 0.388 11.236 1.00 0.00 C ATOM 411 CG GLN A 27 -0.531 1.692 10.629 1.00 0.00 C ATOM 412 CD GLN A 27 0.980 1.806 10.638 1.00 0.00 C ATOM 413 OE1 GLN A 27 1.598 1.951 11.693 1.00 0.00 O ATOM 414 NE2 GLN A 27 1.586 1.742 9.457 1.00 0.00 N ATOM 0 H GLN A 27 -1.277 -0.003 8.811 1.00 0.00 H new ATOM 0 HA GLN A 27 0.624 -0.842 10.610 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.112 0.362 11.188 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.750 0.362 12.291 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.891 1.770 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.958 2.529 11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.035 1.621 8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.602 1.814 9.401 1.00 0.00 H new ATOM 423 N LYS A 28 -2.258 -2.401 11.071 1.00 0.00 N ATOM 424 CA LYS A 28 -2.870 -3.574 11.685 1.00 0.00 C ATOM 425 C LYS A 28 -2.053 -4.829 11.393 1.00 0.00 C ATOM 426 O LYS A 28 -1.781 -5.628 12.289 1.00 0.00 O ATOM 427 CB LYS A 28 -4.301 -3.754 11.174 1.00 0.00 C ATOM 428 CG LYS A 28 -5.219 -4.446 12.168 1.00 0.00 C ATOM 429 CD LYS A 28 -4.983 -5.947 12.192 1.00 0.00 C ATOM 430 CE LYS A 28 -5.643 -6.596 13.399 1.00 0.00 C ATOM 431 NZ LYS A 28 -4.786 -6.508 14.614 1.00 0.00 N ATOM 0 H LYS A 28 -2.897 -1.838 10.509 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.893 -3.419 12.764 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.716 -2.776 10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.278 -4.332 10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.055 -4.035 13.164 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.258 -4.244 11.907 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.375 -6.393 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.912 -6.148 12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.600 -6.112 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.854 -7.642 13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.271 -6.961 15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.883 -6.992 14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.605 -5.509 14.840 1.00 0.00 H new ATOM 445 N THR A 29 -1.663 -4.996 10.132 1.00 0.00 N ATOM 446 CA THR A 29 -0.878 -6.153 9.723 1.00 0.00 C ATOM 447 C THR A 29 -0.182 -5.901 8.390 1.00 0.00 C ATOM 448 O THR A 29 -0.746 -5.271 7.495 1.00 0.00 O ATOM 449 CB THR A 29 -1.755 -7.414 9.601 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.950 -8.536 9.221 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.861 -7.206 8.578 1.00 0.00 C ATOM 0 H THR A 29 -1.879 -4.344 9.378 1.00 0.00 H new ATOM 0 HA THR A 29 -0.128 -6.315 10.497 1.00 0.00 H new ATOM 0 HB THR A 29 -2.212 -7.608 10.572 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.206 -8.833 8.323 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.467 -8.109 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.489 -6.370 8.886 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.420 -6.989 7.605 1.00 0.00 H new ATOM 459 N GLN A 30 1.044 -6.398 8.264 1.00 0.00 N ATOM 460 CA GLN A 30 1.815 -6.226 7.039 1.00 0.00 C ATOM 461 C GLN A 30 1.418 -7.265 5.995 1.00 0.00 C ATOM 462 O GLN A 30 1.457 -6.998 4.794 1.00 0.00 O ATOM 463 CB GLN A 30 3.312 -6.330 7.335 1.00 0.00 C ATOM 464 CG GLN A 30 3.824 -5.248 8.272 1.00 0.00 C ATOM 465 CD GLN A 30 3.696 -5.633 9.733 1.00 0.00 C ATOM 466 OE1 GLN A 30 3.975 -6.770 10.114 1.00 0.00 O ATOM 467 NE2 GLN A 30 3.274 -4.684 10.560 1.00 0.00 N ATOM 0 H GLN A 30 1.524 -6.923 8.995 1.00 0.00 H new ATOM 0 HA GLN A 30 1.598 -5.235 6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.520 -7.306 7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.864 -6.277 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.870 -5.041 8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.271 -4.326 8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.054 -3.755 10.201 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.170 -4.884 11.555 1.00 0.00 H new ATOM 476 N TYR A 31 1.037 -8.449 6.461 1.00 0.00 N ATOM 477 CA TYR A 31 0.635 -9.529 5.568 1.00 0.00 C ATOM 478 C TYR A 31 -0.885 -9.642 5.499 1.00 0.00 C ATOM 479 O TYR A 31 -1.571 -9.583 6.520 1.00 0.00 O ATOM 480 CB TYR A 31 1.236 -10.856 6.035 1.00 0.00 C ATOM 481 CG TYR A 31 2.660 -10.735 6.530 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.673 -10.292 5.688 1.00 0.00 C ATOM 483 CD2 TYR A 31 2.992 -11.065 7.838 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.975 -10.181 6.135 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.291 -10.956 8.294 1.00 0.00 C ATOM 486 CZ TYR A 31 5.279 -10.513 7.439 1.00 0.00 C ATOM 487 OH TYR A 31 6.575 -10.404 7.889 1.00 0.00 O ATOM 0 H TYR A 31 0.998 -8.685 7.452 1.00 0.00 H new ATOM 0 HA TYR A 31 1.010 -9.300 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.616 -11.265 6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.206 -11.569 5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.438 -10.030 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.221 -11.413 8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.751 -9.836 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.532 -11.216 9.314 1.00 0.00 H new ATOM 0 HH TYR A 31 6.619 -10.675 8.830 1.00 0.00 H new ATOM 497 N LEU A 32 -1.405 -9.806 4.287 1.00 0.00 N ATOM 498 CA LEU A 32 -2.844 -9.928 4.083 1.00 0.00 C ATOM 499 C LEU A 32 -3.197 -11.295 3.506 1.00 0.00 C ATOM 500 O LEU A 32 -2.393 -11.913 2.809 1.00 0.00 O ATOM 501 CB LEU A 32 -3.342 -8.824 3.149 1.00 0.00 C ATOM 502 CG LEU A 32 -3.221 -7.394 3.677 1.00 0.00 C ATOM 503 CD1 LEU A 32 -3.858 -6.411 2.707 1.00 0.00 C ATOM 504 CD2 LEU A 32 -3.859 -7.277 5.053 1.00 0.00 C ATOM 0 H LEU A 32 -0.852 -9.857 3.432 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.334 -9.824 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.790 -8.892 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.389 -9.017 2.917 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.163 -7.150 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.762 -5.399 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.356 -6.475 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.913 -6.654 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.763 -6.252 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.914 -7.542 4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.357 -7.953 5.745 1.00 0.00 H new ATOM 516 N ALA A 33 -4.407 -11.761 3.799 1.00 0.00 N ATOM 517 CA ALA A 33 -4.869 -13.053 3.307 1.00 0.00 C ATOM 518 C ALA A 33 -5.466 -12.925 1.909 1.00 0.00 C ATOM 519 O ALA A 33 -5.839 -11.833 1.480 1.00 0.00 O ATOM 520 CB ALA A 33 -5.888 -13.650 4.266 1.00 0.00 C ATOM 0 H ALA A 33 -5.085 -11.262 4.375 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.009 -13.720 3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.224 -14.615 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.430 -13.786 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.741 -12.978 4.355 1.00 0.00 H new ATOM 526 N LEU A 34 -5.552 -14.047 1.203 1.00 0.00 N ATOM 527 CA LEU A 34 -6.103 -14.061 -0.147 1.00 0.00 C ATOM 528 C LEU A 34 -7.279 -13.097 -0.265 1.00 0.00 C ATOM 529 O LEU A 34 -7.267 -12.160 -1.063 1.00 0.00 O ATOM 530 CB LEU A 34 -6.549 -15.476 -0.522 1.00 0.00 C ATOM 531 CG LEU A 34 -7.764 -15.574 -1.446 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.398 -15.143 -2.857 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.321 -16.990 -1.446 1.00 0.00 C ATOM 0 H LEU A 34 -5.247 -14.959 1.543 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.322 -13.738 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.712 -15.984 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.771 -16.021 0.396 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.536 -14.901 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.275 -15.219 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.047 -14.111 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.609 -15.789 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.185 -17.041 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.555 -17.682 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.623 -17.262 -0.435 1.00 0.00 H new ATOM 545 N PRO A 35 -8.319 -13.330 0.549 1.00 0.00 N ATOM 546 CA PRO A 35 -9.522 -12.491 0.557 1.00 0.00 C ATOM 547 C PRO A 35 -9.256 -11.103 1.131 1.00 0.00 C ATOM 548 O PRO A 35 -9.781 -10.107 0.635 1.00 0.00 O ATOM 549 CB PRO A 35 -10.489 -13.265 1.455 1.00 0.00 C ATOM 550 CG PRO A 35 -9.612 -14.077 2.345 1.00 0.00 C ATOM 551 CD PRO A 35 -8.402 -14.429 1.525 1.00 0.00 C ATOM 0 HA PRO A 35 -9.903 -12.315 -0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.121 -12.589 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.153 -13.899 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.330 -13.514 3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.127 -14.975 2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.504 -14.489 2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.517 -15.395 1.033 1.00 0.00 H new ATOM 559 N GLU A 36 -8.439 -11.047 2.178 1.00 0.00 N ATOM 560 CA GLU A 36 -8.106 -9.780 2.819 1.00 0.00 C ATOM 561 C GLU A 36 -7.573 -8.778 1.799 1.00 0.00 C ATOM 562 O GLU A 36 -8.003 -7.625 1.762 1.00 0.00 O ATOM 563 CB GLU A 36 -7.071 -10.000 3.924 1.00 0.00 C ATOM 564 CG GLU A 36 -7.186 -9.010 5.071 1.00 0.00 C ATOM 565 CD GLU A 36 -7.409 -7.588 4.594 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.573 -7.230 4.320 1.00 0.00 O ATOM 567 OE2 GLU A 36 -6.419 -6.833 4.495 1.00 0.00 O ATOM 0 H GLU A 36 -7.996 -11.863 2.600 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.017 -9.374 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.179 -11.011 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.072 -9.930 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.011 -9.305 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.278 -9.049 5.672 1.00 0.00 H new ATOM 574 N ARG A 37 -6.634 -9.227 0.972 1.00 0.00 N ATOM 575 CA ARG A 37 -6.040 -8.370 -0.047 1.00 0.00 C ATOM 576 C ARG A 37 -7.087 -7.936 -1.069 1.00 0.00 C ATOM 577 O ARG A 37 -7.179 -6.759 -1.416 1.00 0.00 O ATOM 578 CB ARG A 37 -4.895 -9.099 -0.752 1.00 0.00 C ATOM 579 CG ARG A 37 -4.436 -8.418 -2.031 1.00 0.00 C ATOM 580 CD ARG A 37 -3.535 -9.326 -2.853 1.00 0.00 C ATOM 581 NE ARG A 37 -4.165 -10.613 -3.135 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.484 -11.719 -3.411 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.159 -11.696 -3.442 1.00 0.00 N ATOM 584 NH2 ARG A 37 -4.129 -12.853 -3.657 1.00 0.00 N ATOM 0 H ARG A 37 -6.268 -10.179 0.988 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.647 -7.481 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.050 -9.177 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.212 -10.116 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.305 -8.132 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.902 -7.500 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.283 -8.833 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.600 -9.490 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.184 -10.665 -3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.659 -10.827 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.639 -12.547 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.149 -12.875 -3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.605 -13.702 -3.869 1.00 0.00 H new ATOM 598 N ALA A 38 -7.873 -8.895 -1.547 1.00 0.00 N ATOM 599 CA ALA A 38 -8.914 -8.612 -2.528 1.00 0.00 C ATOM 600 C ALA A 38 -9.897 -7.572 -2.000 1.00 0.00 C ATOM 601 O ALA A 38 -10.374 -6.720 -2.749 1.00 0.00 O ATOM 602 CB ALA A 38 -9.647 -9.891 -2.904 1.00 0.00 C ATOM 0 H ALA A 38 -7.809 -9.875 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.438 -8.204 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.421 -9.665 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.941 -10.603 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.105 -10.323 -2.014 1.00 0.00 H new ATOM 608 N GLU A 39 -10.195 -7.648 -0.707 1.00 0.00 N ATOM 609 CA GLU A 39 -11.123 -6.714 -0.081 1.00 0.00 C ATOM 610 C GLU A 39 -10.723 -5.271 -0.376 1.00 0.00 C ATOM 611 O GLU A 39 -11.575 -4.419 -0.633 1.00 0.00 O ATOM 612 CB GLU A 39 -11.169 -6.943 1.431 1.00 0.00 C ATOM 613 CG GLU A 39 -12.272 -6.166 2.131 1.00 0.00 C ATOM 614 CD GLU A 39 -12.452 -6.583 3.577 1.00 0.00 C ATOM 615 OE1 GLU A 39 -11.432 -6.768 4.273 1.00 0.00 O ATOM 616 OE2 GLU A 39 -13.614 -6.725 4.014 1.00 0.00 O ATOM 0 H GLU A 39 -9.807 -8.347 -0.073 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.114 -6.891 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.306 -8.007 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.208 -6.662 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.043 -5.101 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.210 -6.312 1.595 1.00 0.00 H new ATOM 623 N LEU A 40 -9.422 -5.004 -0.336 1.00 0.00 N ATOM 624 CA LEU A 40 -8.908 -3.664 -0.598 1.00 0.00 C ATOM 625 C LEU A 40 -9.031 -3.313 -2.077 1.00 0.00 C ATOM 626 O LEU A 40 -9.366 -2.183 -2.431 1.00 0.00 O ATOM 627 CB LEU A 40 -7.447 -3.562 -0.158 1.00 0.00 C ATOM 628 CG LEU A 40 -7.132 -4.074 1.248 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.795 -3.530 1.727 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.242 -3.692 2.216 1.00 0.00 C ATOM 0 H LEU A 40 -8.704 -5.697 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.504 -2.954 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.835 -4.115 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.142 -2.517 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.067 -5.161 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.588 -3.905 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.006 -3.854 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.832 -2.441 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.001 -4.065 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.339 -2.607 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.183 -4.131 1.883 1.00 0.00 H new ATOM 642 N ALA A 41 -8.760 -4.290 -2.936 1.00 0.00 N ATOM 643 CA ALA A 41 -8.845 -4.086 -4.377 1.00 0.00 C ATOM 644 C ALA A 41 -10.289 -3.875 -4.818 1.00 0.00 C ATOM 645 O ALA A 41 -10.561 -3.108 -5.741 1.00 0.00 O ATOM 646 CB ALA A 41 -8.233 -5.268 -5.115 1.00 0.00 C ATOM 0 H ALA A 41 -8.480 -5.231 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.282 -3.186 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.304 -5.102 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.186 -5.371 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.771 -6.179 -4.853 1.00 0.00 H new ATOM 652 N ALA A 42 -11.212 -4.561 -4.152 1.00 0.00 N ATOM 653 CA ALA A 42 -12.629 -4.448 -4.474 1.00 0.00 C ATOM 654 C ALA A 42 -13.264 -3.266 -3.750 1.00 0.00 C ATOM 655 O ALA A 42 -14.130 -2.583 -4.297 1.00 0.00 O ATOM 656 CB ALA A 42 -13.356 -5.738 -4.121 1.00 0.00 C ATOM 0 H ALA A 42 -11.004 -5.201 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.719 -4.275 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.413 -5.639 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.927 -6.564 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.249 -5.936 -3.055 1.00 0.00 H new ATOM 662 N SER A 43 -12.829 -3.030 -2.517 1.00 0.00 N ATOM 663 CA SER A 43 -13.358 -1.932 -1.716 1.00 0.00 C ATOM 664 C SER A 43 -12.786 -0.596 -2.180 1.00 0.00 C ATOM 665 O SER A 43 -13.523 0.367 -2.394 1.00 0.00 O ATOM 666 CB SER A 43 -13.037 -2.152 -0.236 1.00 0.00 C ATOM 667 OG SER A 43 -13.595 -1.124 0.564 1.00 0.00 O ATOM 0 H SER A 43 -12.111 -3.584 -2.050 1.00 0.00 H new ATOM 0 HA SER A 43 -14.440 -1.908 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.426 -3.118 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.957 -2.181 -0.095 1.00 0.00 H new ATOM 0 HG SER A 43 -13.378 -1.288 1.505 1.00 0.00 H new ATOM 673 N LEU A 44 -11.467 -0.546 -2.333 1.00 0.00 N ATOM 674 CA LEU A 44 -10.794 0.671 -2.771 1.00 0.00 C ATOM 675 C LEU A 44 -10.807 0.784 -4.292 1.00 0.00 C ATOM 676 O LEU A 44 -10.256 1.726 -4.860 1.00 0.00 O ATOM 677 CB LEU A 44 -9.352 0.693 -2.260 1.00 0.00 C ATOM 678 CG LEU A 44 -9.165 0.418 -0.767 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.691 0.463 -0.396 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.957 1.419 0.063 1.00 0.00 C ATOM 0 H LEU A 44 -10.843 -1.334 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.333 1.523 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.778 -0.045 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.922 1.669 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.542 -0.582 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.578 0.265 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.149 -0.293 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.288 1.449 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.812 1.208 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.611 2.429 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.016 1.337 -0.182 1.00 0.00 H new ATOM 692 N GLY A 45 -11.443 -0.183 -4.946 1.00 0.00 N ATOM 693 CA GLY A 45 -11.519 -0.173 -6.396 1.00 0.00 C ATOM 694 C GLY A 45 -10.165 -0.367 -7.048 1.00 0.00 C ATOM 695 O GLY A 45 -9.968 -0.001 -8.208 1.00 0.00 O ATOM 0 H GLY A 45 -11.907 -0.973 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.195 -0.962 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.947 0.773 -6.728 1.00 0.00 H new ATOM 699 N LEU A 46 -9.227 -0.941 -6.303 1.00 0.00 N ATOM 700 CA LEU A 46 -7.883 -1.181 -6.815 1.00 0.00 C ATOM 701 C LEU A 46 -7.723 -2.629 -7.267 1.00 0.00 C ATOM 702 O LEU A 46 -8.658 -3.425 -7.181 1.00 0.00 O ATOM 703 CB LEU A 46 -6.841 -0.851 -5.744 1.00 0.00 C ATOM 704 CG LEU A 46 -6.894 0.565 -5.170 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.348 0.586 -3.751 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.119 1.529 -6.056 1.00 0.00 C ATOM 0 H LEU A 46 -9.373 -1.249 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.728 -0.531 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.956 -1.559 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.850 -1.013 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.935 0.886 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.394 1.602 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.946 -0.073 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.313 0.244 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.168 2.532 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.078 1.211 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.555 1.536 -7.055 1.00 0.00 H new ATOM 718 N THR A 47 -6.530 -2.965 -7.749 1.00 0.00 N ATOM 719 CA THR A 47 -6.247 -4.317 -8.214 1.00 0.00 C ATOM 720 C THR A 47 -5.238 -5.010 -7.306 1.00 0.00 C ATOM 721 O THR A 47 -4.392 -4.360 -6.694 1.00 0.00 O ATOM 722 CB THR A 47 -5.705 -4.313 -9.656 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.304 -5.635 -10.033 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.525 -3.362 -9.788 1.00 0.00 C ATOM 0 H THR A 47 -5.745 -2.319 -7.827 1.00 0.00 H new ATOM 0 HA THR A 47 -7.190 -4.864 -8.190 1.00 0.00 H new ATOM 0 HB THR A 47 -6.501 -3.973 -10.319 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.962 -5.624 -10.951 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.159 -3.376 -10.815 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.841 -2.351 -9.529 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.728 -3.676 -9.114 1.00 0.00 H new ATOM 732 N GLN A 48 -5.333 -6.333 -7.226 1.00 0.00 N ATOM 733 CA GLN A 48 -4.427 -7.115 -6.392 1.00 0.00 C ATOM 734 C GLN A 48 -2.973 -6.773 -6.700 1.00 0.00 C ATOM 735 O GLN A 48 -2.114 -6.809 -5.818 1.00 0.00 O ATOM 736 CB GLN A 48 -4.668 -8.610 -6.602 1.00 0.00 C ATOM 737 CG GLN A 48 -5.857 -9.150 -5.825 1.00 0.00 C ATOM 738 CD GLN A 48 -6.138 -10.609 -6.126 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.431 -11.240 -6.913 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.175 -11.154 -5.501 1.00 0.00 N ATOM 0 H GLN A 48 -6.028 -6.886 -7.728 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.627 -6.866 -5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.823 -8.799 -7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.773 -9.159 -6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.672 -9.033 -4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.741 -8.557 -6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.734 -10.594 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.413 -12.132 -5.665 1.00 0.00 H new ATOM 749 N THR A 49 -2.701 -6.443 -7.959 1.00 0.00 N ATOM 750 CA THR A 49 -1.351 -6.096 -8.384 1.00 0.00 C ATOM 751 C THR A 49 -0.917 -4.757 -7.801 1.00 0.00 C ATOM 752 O THR A 49 0.275 -4.484 -7.669 1.00 0.00 O ATOM 753 CB THR A 49 -1.245 -6.034 -9.919 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.857 -7.190 -10.501 1.00 0.00 O ATOM 755 CG2 THR A 49 0.210 -5.949 -10.358 1.00 0.00 C ATOM 0 H THR A 49 -3.399 -6.409 -8.702 1.00 0.00 H new ATOM 0 HA THR A 49 -0.691 -6.880 -8.013 1.00 0.00 H new ATOM 0 HB THR A 49 -1.765 -5.139 -10.260 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.786 -7.141 -11.477 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.260 -5.906 -11.446 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.665 -5.052 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.749 -6.828 -10.004 1.00 0.00 H new ATOM 763 N GLN A 50 -1.893 -3.924 -7.452 1.00 0.00 N ATOM 764 CA GLN A 50 -1.611 -2.612 -6.883 1.00 0.00 C ATOM 765 C GLN A 50 -1.512 -2.688 -5.363 1.00 0.00 C ATOM 766 O GLN A 50 -0.530 -2.239 -4.771 1.00 0.00 O ATOM 767 CB GLN A 50 -2.697 -1.613 -7.286 1.00 0.00 C ATOM 768 CG GLN A 50 -2.472 -0.988 -8.653 1.00 0.00 C ATOM 769 CD GLN A 50 -3.014 0.425 -8.745 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.104 0.651 -9.270 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.253 1.385 -8.233 1.00 0.00 N ATOM 0 H GLN A 50 -2.886 -4.135 -7.554 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.652 -2.273 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.663 -2.118 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.747 -0.822 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.404 -0.979 -8.873 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.949 -1.606 -9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.356 1.152 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.565 2.355 -8.266 1.00 0.00 H new ATOM 780 N VAL A 51 -2.536 -3.260 -4.736 1.00 0.00 N ATOM 781 CA VAL A 51 -2.564 -3.395 -3.284 1.00 0.00 C ATOM 782 C VAL A 51 -1.411 -4.263 -2.791 1.00 0.00 C ATOM 783 O VAL A 51 -0.995 -4.165 -1.636 1.00 0.00 O ATOM 784 CB VAL A 51 -3.894 -4.006 -2.804 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.759 -4.524 -1.380 1.00 0.00 C ATOM 786 CG2 VAL A 51 -5.016 -2.984 -2.905 1.00 0.00 C ATOM 0 H VAL A 51 -3.356 -3.637 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.463 -2.392 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.142 -4.848 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.708 -4.952 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.984 -5.290 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.488 -3.702 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.948 -3.432 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.778 -2.120 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.126 -2.666 -3.942 1.00 0.00 H new ATOM 796 N LYS A 52 -0.897 -5.112 -3.674 1.00 0.00 N ATOM 797 CA LYS A 52 0.210 -5.997 -3.331 1.00 0.00 C ATOM 798 C LYS A 52 1.512 -5.214 -3.203 1.00 0.00 C ATOM 799 O LYS A 52 2.183 -5.271 -2.172 1.00 0.00 O ATOM 800 CB LYS A 52 0.362 -7.092 -4.389 1.00 0.00 C ATOM 801 CG LYS A 52 -0.423 -8.354 -4.077 1.00 0.00 C ATOM 802 CD LYS A 52 -0.021 -9.501 -4.988 1.00 0.00 C ATOM 803 CE LYS A 52 -0.676 -9.381 -6.356 1.00 0.00 C ATOM 804 NZ LYS A 52 -0.795 -10.703 -7.032 1.00 0.00 N ATOM 0 H LYS A 52 -1.230 -5.206 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.012 -6.459 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.037 -6.701 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.417 -7.346 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.258 -8.639 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.489 -8.157 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.063 -9.514 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.305 -10.448 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.666 -8.938 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.092 -8.705 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.246 -10.579 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.152 -11.114 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.374 -11.340 -6.449 1.00 0.00 H new ATOM 818 N ILE A 53 1.864 -4.483 -4.255 1.00 0.00 N ATOM 819 CA ILE A 53 3.085 -3.687 -4.258 1.00 0.00 C ATOM 820 C ILE A 53 3.047 -2.618 -3.172 1.00 0.00 C ATOM 821 O ILE A 53 4.049 -2.362 -2.504 1.00 0.00 O ATOM 822 CB ILE A 53 3.311 -3.009 -5.622 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.318 -4.053 -6.741 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.615 -2.225 -5.614 1.00 0.00 C ATOM 825 CD1 ILE A 53 3.250 -3.453 -8.128 1.00 0.00 C ATOM 0 H ILE A 53 1.321 -4.425 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 53 3.909 -4.373 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 53 2.492 -2.313 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.222 -4.656 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.472 -4.727 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.761 -1.752 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.574 -1.459 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.445 -2.902 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.259 -4.251 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.332 -2.873 -8.229 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.110 -2.802 -8.285 1.00 0.00 H new ATOM 837 N TRP A 54 1.885 -1.999 -2.999 1.00 0.00 N ATOM 838 CA TRP A 54 1.716 -0.958 -1.992 1.00 0.00 C ATOM 839 C TRP A 54 2.073 -1.480 -0.604 1.00 0.00 C ATOM 840 O TRP A 54 2.727 -0.792 0.179 1.00 0.00 O ATOM 841 CB TRP A 54 0.277 -0.440 -2.001 1.00 0.00 C ATOM 842 CG TRP A 54 0.074 0.765 -1.133 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.058 2.060 -1.547 1.00 0.00 C ATOM 844 CD2 TRP A 54 -0.018 0.787 0.295 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.226 2.886 -0.462 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.207 2.129 0.680 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.038 -0.196 1.287 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.337 2.510 2.013 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.092 0.183 2.609 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.279 1.526 2.963 1.00 0.00 C ATOM 0 H TRP A 54 1.046 -2.200 -3.543 1.00 0.00 H new ATOM 0 HA TRP A 54 2.391 -0.138 -2.236 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.007 -0.194 -3.024 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.390 -1.235 -1.668 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.034 2.387 -2.576 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.345 3.898 -0.500 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.180 -1.234 1.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.479 3.545 2.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.049 -0.569 3.383 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.379 1.790 4.005 1.00 0.00 H new ATOM 861 N PHE A 55 1.639 -2.701 -0.307 1.00 0.00 N ATOM 862 CA PHE A 55 1.913 -3.315 0.987 1.00 0.00 C ATOM 863 C PHE A 55 3.377 -3.731 1.093 1.00 0.00 C ATOM 864 O PHE A 55 4.039 -3.459 2.094 1.00 0.00 O ATOM 865 CB PHE A 55 1.008 -4.531 1.200 1.00 0.00 C ATOM 866 CG PHE A 55 -0.294 -4.199 1.871 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.235 -3.407 1.233 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.577 -4.679 3.140 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.433 -3.099 1.849 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.774 -4.375 3.760 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.704 -3.585 3.113 1.00 0.00 C ATOM 0 H PHE A 55 1.097 -3.284 -0.944 1.00 0.00 H new ATOM 0 HA PHE A 55 1.707 -2.577 1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.802 -4.994 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.540 -5.269 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.030 -3.026 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.146 -5.298 3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.157 -2.478 1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.982 -4.755 4.749 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.641 -3.348 3.595 1.00 0.00 H new ATOM 881 N GLN A 56 3.874 -4.393 0.053 1.00 0.00 N ATOM 882 CA GLN A 56 5.259 -4.849 0.029 1.00 0.00 C ATOM 883 C GLN A 56 6.221 -3.666 0.035 1.00 0.00 C ATOM 884 O GLN A 56 6.997 -3.489 0.974 1.00 0.00 O ATOM 885 CB GLN A 56 5.511 -5.720 -1.203 1.00 0.00 C ATOM 886 CG GLN A 56 6.855 -6.429 -1.182 1.00 0.00 C ATOM 887 CD GLN A 56 7.317 -6.844 -2.565 1.00 0.00 C ATOM 888 OE1 GLN A 56 7.022 -6.176 -3.557 1.00 0.00 O ATOM 889 NE2 GLN A 56 8.047 -7.951 -2.639 1.00 0.00 N ATOM 0 H GLN A 56 3.339 -4.625 -0.784 1.00 0.00 H new ATOM 0 HA GLN A 56 5.435 -5.442 0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.718 -6.464 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.452 -5.098 -2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.601 -5.772 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.786 -7.311 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.268 -8.474 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.387 -8.278 -3.543 1.00 0.00 H new ATOM 898 N ASN A 57 6.166 -2.859 -1.019 1.00 0.00 N ATOM 899 CA ASN A 57 7.033 -1.692 -1.136 1.00 0.00 C ATOM 900 C ASN A 57 7.047 -0.892 0.163 1.00 0.00 C ATOM 901 O ASN A 57 8.050 -0.270 0.512 1.00 0.00 O ATOM 902 CB ASN A 57 6.573 -0.802 -2.292 1.00 0.00 C ATOM 903 CG ASN A 57 6.986 -1.350 -3.644 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.276 -2.538 -3.782 1.00 0.00 O ATOM 905 ND2 ASN A 57 7.013 -0.483 -4.650 1.00 0.00 N ATOM 0 H ASN A 57 5.530 -2.992 -1.805 1.00 0.00 H new ATOM 0 HA ASN A 57 8.046 -2.042 -1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.488 -0.701 -2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.990 0.197 -2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.282 -0.793 -5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.764 0.493 -4.489 1.00 0.00 H new ATOM 912 N LYS A 58 5.926 -0.914 0.877 1.00 0.00 N ATOM 913 CA LYS A 58 5.808 -0.194 2.139 1.00 0.00 C ATOM 914 C LYS A 58 6.688 -0.827 3.211 1.00 0.00 C ATOM 915 O LYS A 58 7.440 -0.135 3.899 1.00 0.00 O ATOM 916 CB LYS A 58 4.350 -0.176 2.605 1.00 0.00 C ATOM 917 CG LYS A 58 3.579 1.047 2.142 1.00 0.00 C ATOM 918 CD LYS A 58 3.749 2.212 3.103 1.00 0.00 C ATOM 919 CE LYS A 58 2.714 2.171 4.217 1.00 0.00 C ATOM 920 NZ LYS A 58 3.062 3.096 5.331 1.00 0.00 N ATOM 0 H LYS A 58 5.086 -1.423 0.602 1.00 0.00 H new ATOM 0 HA LYS A 58 6.144 0.830 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.849 -1.072 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.325 -0.220 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.922 1.340 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.521 0.799 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.750 2.187 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.661 3.151 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.737 2.438 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.634 1.154 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.333 3.039 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.983 2.826 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.114 4.070 4.970 1.00 0.00 H new ATOM 934 N ARG A 59 6.591 -2.145 3.348 1.00 0.00 N ATOM 935 CA ARG A 59 7.379 -2.871 4.337 1.00 0.00 C ATOM 936 C ARG A 59 8.822 -2.376 4.352 1.00 0.00 C ATOM 937 O ARG A 59 9.382 -2.096 5.412 1.00 0.00 O ATOM 938 CB ARG A 59 7.346 -4.372 4.044 1.00 0.00 C ATOM 939 CG ARG A 59 6.202 -5.102 4.729 1.00 0.00 C ATOM 940 CD ARG A 59 6.480 -6.592 4.842 1.00 0.00 C ATOM 941 NE ARG A 59 7.636 -6.870 5.690 1.00 0.00 N ATOM 942 CZ ARG A 59 7.576 -6.943 7.015 1.00 0.00 C ATOM 943 NH1 ARG A 59 6.421 -6.760 7.640 1.00 0.00 N ATOM 944 NH2 ARG A 59 8.672 -7.201 7.717 1.00 0.00 N ATOM 0 H ARG A 59 5.974 -2.732 2.787 1.00 0.00 H new ATOM 0 HA ARG A 59 6.941 -2.690 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.268 -4.522 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.290 -4.816 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.046 -4.684 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.281 -4.944 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.603 -7.095 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.652 -7.005 3.848 1.00 0.00 H new ATOM 0 HE ARG A 59 8.540 -7.016 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.576 -6.563 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.377 -6.817 8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.562 -7.344 7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.625 -7.257 8.734 1.00 0.00 H new ATOM 958 N SER A 60 9.418 -2.270 3.169 1.00 0.00 N ATOM 959 CA SER A 60 10.798 -1.813 3.047 1.00 0.00 C ATOM 960 C SER A 60 11.008 -0.510 3.813 1.00 0.00 C ATOM 961 O SER A 60 11.961 -0.375 4.581 1.00 0.00 O ATOM 962 CB SER A 60 11.163 -1.617 1.574 1.00 0.00 C ATOM 963 OG SER A 60 12.551 -1.376 1.421 1.00 0.00 O ATOM 0 H SER A 60 8.968 -2.494 2.282 1.00 0.00 H new ATOM 0 HA SER A 60 11.448 -2.575 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.879 -2.502 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.598 -0.780 1.164 1.00 0.00 H new ATOM 0 HG SER A 60 12.759 -1.256 0.471 1.00 0.00 H new ATOM 969 N LYS A 61 10.112 0.447 3.597 1.00 0.00 N ATOM 970 CA LYS A 61 10.197 1.740 4.266 1.00 0.00 C ATOM 971 C LYS A 61 10.282 1.564 5.779 1.00 0.00 C ATOM 972 O LYS A 61 11.070 2.234 6.447 1.00 0.00 O ATOM 973 CB LYS A 61 8.984 2.602 3.910 1.00 0.00 C ATOM 974 CG LYS A 61 9.175 3.429 2.650 1.00 0.00 C ATOM 975 CD LYS A 61 8.812 2.639 1.404 1.00 0.00 C ATOM 976 CE LYS A 61 9.508 3.193 0.171 1.00 0.00 C ATOM 977 NZ LYS A 61 10.988 3.048 0.257 1.00 0.00 N ATOM 0 H LYS A 61 9.318 0.352 2.964 1.00 0.00 H new ATOM 0 HA LYS A 61 11.103 2.240 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.115 1.957 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.766 3.270 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.558 4.326 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.212 3.759 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.089 1.594 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.732 2.666 1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.143 2.674 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.253 4.246 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.388 2.992 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.389 3.870 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.222 2.180 0.781 1.00 0.00 H new ATOM 991 N ILE A 62 9.468 0.660 6.312 1.00 0.00 N ATOM 992 CA ILE A 62 9.454 0.396 7.746 1.00 0.00 C ATOM 993 C ILE A 62 10.870 0.231 8.288 1.00 0.00 C ATOM 994 O ILE A 62 11.449 -0.853 8.224 1.00 0.00 O ATOM 995 CB ILE A 62 8.639 -0.868 8.077 1.00 0.00 C ATOM 996 CG1 ILE A 62 7.204 -0.725 7.567 1.00 0.00 C ATOM 997 CG2 ILE A 62 8.651 -1.128 9.576 1.00 0.00 C ATOM 998 CD1 ILE A 62 6.345 -1.943 7.828 1.00 0.00 C ATOM 0 H ILE A 62 8.809 0.098 5.773 1.00 0.00 H new ATOM 0 HA ILE A 62 8.984 1.257 8.221 1.00 0.00 H new ATOM 0 HB ILE A 62 9.099 -1.720 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.744 0.142 8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.226 -0.529 6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.071 -2.025 9.794 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.678 -1.269 9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.213 -0.276 10.096 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.341 -1.770 7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.782 -2.810 7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.292 -2.128 8.901 1.00 0.00 H new ATOM 1010 N LYS A 63 11.422 1.314 8.824 1.00 0.00 N ATOM 1011 CA LYS A 63 12.769 1.291 9.381 1.00 0.00 C ATOM 1012 C LYS A 63 12.812 0.470 10.666 1.00 0.00 C ATOM 1013 O LYS A 63 11.967 0.632 11.547 1.00 0.00 O ATOM 1014 CB LYS A 63 13.253 2.716 9.658 1.00 0.00 C ATOM 1015 CG LYS A 63 13.887 3.388 8.452 1.00 0.00 C ATOM 1016 CD LYS A 63 13.830 4.902 8.563 1.00 0.00 C ATOM 1017 CE LYS A 63 15.062 5.456 9.263 1.00 0.00 C ATOM 1018 NZ LYS A 63 16.266 5.405 8.388 1.00 0.00 N ATOM 0 H LYS A 63 10.957 2.220 8.884 1.00 0.00 H new ATOM 0 HA LYS A 63 13.430 0.825 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.410 3.318 9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.977 2.693 10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.925 3.068 8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.373 3.069 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.749 5.338 7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.935 5.194 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.876 6.487 9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.250 4.886 10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.006 6.022 8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.620 4.428 8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.015 5.729 7.432 1.00 0.00 H new ATOM 1032 N LYS A 64 13.802 -0.411 10.767 1.00 0.00 N ATOM 1033 CA LYS A 64 13.958 -1.256 11.945 1.00 0.00 C ATOM 1034 C LYS A 64 14.532 -0.460 13.113 1.00 0.00 C ATOM 1035 O LYS A 64 15.532 0.242 12.966 1.00 0.00 O ATOM 1036 CB LYS A 64 14.867 -2.445 11.629 1.00 0.00 C ATOM 1037 CG LYS A 64 16.269 -2.043 11.205 1.00 0.00 C ATOM 1038 CD LYS A 64 17.190 -3.248 11.108 1.00 0.00 C ATOM 1039 CE LYS A 64 18.607 -2.838 10.738 1.00 0.00 C ATOM 1040 NZ LYS A 64 19.359 -3.955 10.103 1.00 0.00 N ATOM 0 H LYS A 64 14.509 -0.558 10.046 1.00 0.00 H new ATOM 0 HA LYS A 64 12.973 -1.626 12.229 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.932 -3.086 12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.413 -3.038 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.227 -1.537 10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.676 -1.330 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.200 -3.777 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.805 -3.943 10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.573 -1.989 10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.135 -2.507 11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.320 -3.636 9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.414 -4.756 10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.869 -4.254 9.236 1.00 0.00 H new ATOM 1054 N SER A 65 13.893 -0.576 14.273 1.00 0.00 N ATOM 1055 CA SER A 65 14.339 0.135 15.466 1.00 0.00 C ATOM 1056 C SER A 65 15.406 -0.664 16.207 1.00 0.00 C ATOM 1057 O SER A 65 15.422 -1.894 16.160 1.00 0.00 O ATOM 1058 CB SER A 65 13.155 0.409 16.395 1.00 0.00 C ATOM 1059 OG SER A 65 12.547 1.653 16.092 1.00 0.00 O ATOM 0 H SER A 65 13.065 -1.155 14.412 1.00 0.00 H new ATOM 0 HA SER A 65 14.773 1.084 15.152 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.421 -0.391 16.300 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.494 0.409 17.431 1.00 0.00 H new ATOM 0 HG SER A 65 11.792 1.804 16.698 1.00 0.00 H new ATOM 1065 N GLY A 66 16.299 0.044 16.892 1.00 0.00 N ATOM 1066 CA GLY A 66 17.358 -0.614 17.633 1.00 0.00 C ATOM 1067 C GLY A 66 17.405 -0.182 19.085 1.00 0.00 C ATOM 1068 O GLY A 66 18.188 0.686 19.472 1.00 0.00 O ATOM 0 H GLY A 66 16.307 1.063 16.947 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.216 -1.693 17.583 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.316 -0.397 17.161 1.00 0.00 H new ATOM 1072 N PRO A 67 16.548 -0.794 19.917 1.00 0.00 N ATOM 1073 CA PRO A 67 16.475 -0.483 21.347 1.00 0.00 C ATOM 1074 C PRO A 67 17.707 -0.959 22.108 1.00 0.00 C ATOM 1075 O PRO A 67 18.606 -1.572 21.532 1.00 0.00 O ATOM 1076 CB PRO A 67 15.231 -1.244 21.813 1.00 0.00 C ATOM 1077 CG PRO A 67 15.088 -2.365 20.842 1.00 0.00 C ATOM 1078 CD PRO A 67 15.586 -1.837 19.525 1.00 0.00 C ATOM 0 HA PRO A 67 16.427 0.591 21.528 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.352 -1.615 22.831 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.350 -0.602 21.810 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.667 -3.232 21.159 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.049 -2.686 20.766 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.061 -2.619 18.932 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.774 -1.429 18.923 1.00 0.00 H new ATOM 1086 N SER A 68 17.743 -0.674 23.406 1.00 0.00 N ATOM 1087 CA SER A 68 18.867 -1.071 24.246 1.00 0.00 C ATOM 1088 C SER A 68 19.203 -2.545 24.042 1.00 0.00 C ATOM 1089 O SER A 68 18.356 -3.418 24.229 1.00 0.00 O ATOM 1090 CB SER A 68 18.549 -0.807 25.719 1.00 0.00 C ATOM 1091 OG SER A 68 17.543 -1.687 26.189 1.00 0.00 O ATOM 0 H SER A 68 17.006 -0.169 23.899 1.00 0.00 H new ATOM 0 HA SER A 68 19.733 -0.476 23.957 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.452 -0.930 26.317 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.221 0.225 25.844 1.00 0.00 H new ATOM 0 HG SER A 68 17.494 -2.471 25.603 1.00 0.00 H new ATOM 1097 N SER A 69 20.447 -2.815 23.657 1.00 0.00 N ATOM 1098 CA SER A 69 20.895 -4.182 23.424 1.00 0.00 C ATOM 1099 C SER A 69 20.266 -4.752 22.156 1.00 0.00 C ATOM 1100 O SER A 69 19.659 -5.822 22.177 1.00 0.00 O ATOM 1101 CB SER A 69 20.546 -5.068 24.622 1.00 0.00 C ATOM 1102 OG SER A 69 20.553 -4.322 25.827 1.00 0.00 O ATOM 0 H SER A 69 21.162 -2.104 23.500 1.00 0.00 H new ATOM 0 HA SER A 69 21.977 -4.165 23.296 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.563 -5.516 24.473 1.00 0.00 H new ATOM 0 HB3 SER A 69 21.262 -5.887 24.693 1.00 0.00 H new ATOM 0 HG SER A 69 20.325 -4.910 26.577 1.00 0.00 H new ATOM 1108 N GLY A 70 20.417 -4.027 21.051 1.00 0.00 N ATOM 1109 CA GLY A 70 19.858 -4.474 19.789 1.00 0.00 C ATOM 1110 C GLY A 70 20.908 -5.064 18.867 1.00 0.00 C ATOM 1111 O GLY A 70 20.677 -6.090 18.228 1.00 0.00 O ATOM 0 H GLY A 70 20.916 -3.139 21.008 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.086 -5.220 19.981 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.373 -3.634 19.292 1.00 0.00 H new TER 1115 GLY A 70