USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 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 18 GLN : amide:sc= 0 X(o=-0.82,f=-0.84) USER MOD Set 1.2: A 77 TYR OH : rot 118:sc= -0.824 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.464 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 13 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 17 ASN : amide:sc= -0.775 K(o=-0.77,f=-5.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc=-0.00486 (180deg=-0.12) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00372 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= 0.53 (180deg=0.118) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.0071) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 99:sc= 0.23 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 126:sc= 0.0172 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -140:sc= -1.24 USER MOD Single : A 99 SER OG : rot -46:sc= 0.587 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.611 25.618 -9.592 1.00 0.00 N ATOM 2 CA GLY A 1 11.924 25.432 -8.188 1.00 0.00 C ATOM 3 C GLY A 1 13.374 25.050 -7.963 1.00 0.00 C ATOM 4 O GLY A 1 13.729 23.873 -8.021 1.00 0.00 O ATOM 0 H1 GLY A 1 10.609 25.878 -9.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.206 26.376 -9.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.793 24.734 -10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.705 26.352 -7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.279 24.657 -7.775 1.00 0.00 H new ATOM 8 N SER A 2 14.214 26.048 -7.707 1.00 0.00 N ATOM 9 CA SER A 2 15.635 25.811 -7.478 1.00 0.00 C ATOM 10 C SER A 2 15.863 25.139 -6.128 1.00 0.00 C ATOM 11 O SER A 2 15.441 25.648 -5.089 1.00 0.00 O ATOM 12 CB SER A 2 16.409 27.129 -7.542 1.00 0.00 C ATOM 13 OG SER A 2 16.116 27.948 -6.423 1.00 0.00 O ATOM 0 H SER A 2 13.936 27.028 -7.653 1.00 0.00 H new ATOM 0 HA SER A 2 15.999 25.145 -8.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.479 26.925 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.156 27.659 -8.460 1.00 0.00 H new ATOM 0 HG SER A 2 15.825 27.387 -5.674 1.00 0.00 H new ATOM 19 N SER A 3 16.533 23.991 -6.151 1.00 0.00 N ATOM 20 CA SER A 3 16.815 23.246 -4.929 1.00 0.00 C ATOM 21 C SER A 3 17.393 24.162 -3.855 1.00 0.00 C ATOM 22 O SER A 3 18.086 25.132 -4.157 1.00 0.00 O ATOM 23 CB SER A 3 17.789 22.102 -5.218 1.00 0.00 C ATOM 24 OG SER A 3 17.097 20.932 -5.621 1.00 0.00 O ATOM 0 H SER A 3 16.891 23.557 -7.002 1.00 0.00 H new ATOM 0 HA SER A 3 15.877 22.831 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.487 22.403 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.380 21.890 -4.327 1.00 0.00 H new ATOM 0 HG SER A 3 17.742 20.216 -5.801 1.00 0.00 H new ATOM 30 N GLY A 4 17.101 23.846 -2.597 1.00 0.00 N ATOM 31 CA GLY A 4 17.598 24.649 -1.495 1.00 0.00 C ATOM 32 C GLY A 4 17.700 23.862 -0.204 1.00 0.00 C ATOM 33 O GLY A 4 18.123 22.706 -0.205 1.00 0.00 O ATOM 0 H GLY A 4 16.529 23.048 -2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.580 25.047 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.938 25.503 -1.345 1.00 0.00 H new ATOM 37 N SER A 5 17.313 24.491 0.902 1.00 0.00 N ATOM 38 CA SER A 5 17.369 23.844 2.208 1.00 0.00 C ATOM 39 C SER A 5 16.422 22.648 2.262 1.00 0.00 C ATOM 40 O SER A 5 16.848 21.515 2.486 1.00 0.00 O ATOM 41 CB SER A 5 17.011 24.842 3.310 1.00 0.00 C ATOM 42 OG SER A 5 18.145 25.596 3.704 1.00 0.00 O ATOM 0 H SER A 5 16.958 25.447 0.920 1.00 0.00 H new ATOM 0 HA SER A 5 18.387 23.488 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.229 25.514 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.608 24.309 4.171 1.00 0.00 H new ATOM 0 HG SER A 5 17.889 26.228 4.408 1.00 0.00 H new ATOM 48 N SER A 6 15.136 22.910 2.055 1.00 0.00 N ATOM 49 CA SER A 6 14.127 21.857 2.084 1.00 0.00 C ATOM 50 C SER A 6 14.031 21.159 0.730 1.00 0.00 C ATOM 51 O SER A 6 14.374 21.734 -0.302 1.00 0.00 O ATOM 52 CB SER A 6 12.765 22.437 2.469 1.00 0.00 C ATOM 53 OG SER A 6 12.832 23.114 3.712 1.00 0.00 O ATOM 0 H SER A 6 14.768 23.842 1.865 1.00 0.00 H new ATOM 0 HA SER A 6 14.426 21.122 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.427 23.125 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.028 21.636 2.527 1.00 0.00 H new ATOM 0 HG SER A 6 11.949 23.477 3.935 1.00 0.00 H new ATOM 59 N GLY A 7 13.563 19.915 0.744 1.00 0.00 N ATOM 60 CA GLY A 7 13.430 19.158 -0.487 1.00 0.00 C ATOM 61 C GLY A 7 12.110 18.417 -0.572 1.00 0.00 C ATOM 62 O GLY A 7 11.172 18.688 0.178 1.00 0.00 O ATOM 0 H GLY A 7 13.273 19.418 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.519 19.834 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.250 18.443 -0.561 1.00 0.00 H new ATOM 66 N PRO A 8 12.025 17.459 -1.507 1.00 0.00 N ATOM 67 CA PRO A 8 10.814 16.658 -1.710 1.00 0.00 C ATOM 68 C PRO A 8 10.556 15.693 -0.558 1.00 0.00 C ATOM 69 O PRO A 8 11.424 15.442 0.279 1.00 0.00 O ATOM 70 CB PRO A 8 11.113 15.885 -2.997 1.00 0.00 C ATOM 71 CG PRO A 8 12.599 15.811 -3.058 1.00 0.00 C ATOM 72 CD PRO A 8 13.104 17.083 -2.436 1.00 0.00 C ATOM 0 HA PRO A 8 9.920 17.279 -1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.668 14.890 -2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.706 16.396 -3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.969 14.939 -2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.943 15.717 -4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.048 16.928 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.277 17.856 -3.185 1.00 0.00 H new ATOM 80 N PRO A 9 9.336 15.138 -0.511 1.00 0.00 N ATOM 81 CA PRO A 9 8.937 14.191 0.534 1.00 0.00 C ATOM 82 C PRO A 9 9.649 12.850 0.405 1.00 0.00 C ATOM 83 O PRO A 9 9.606 12.213 -0.648 1.00 0.00 O ATOM 84 CB PRO A 9 7.433 14.023 0.304 1.00 0.00 C ATOM 85 CG PRO A 9 7.232 14.340 -1.138 1.00 0.00 C ATOM 86 CD PRO A 9 8.253 15.392 -1.476 1.00 0.00 C ATOM 0 HA PRO A 9 9.192 14.552 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.108 13.009 0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.858 14.695 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.367 13.452 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.221 14.704 -1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.601 15.298 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.846 16.397 -1.368 1.00 0.00 H new ATOM 94 N ILE A 10 10.304 12.426 1.480 1.00 0.00 N ATOM 95 CA ILE A 10 11.025 11.159 1.486 1.00 0.00 C ATOM 96 C ILE A 10 10.227 10.077 2.206 1.00 0.00 C ATOM 97 O ILE A 10 9.624 10.327 3.250 1.00 0.00 O ATOM 98 CB ILE A 10 12.403 11.298 2.159 1.00 0.00 C ATOM 99 CG1 ILE A 10 13.300 12.234 1.346 1.00 0.00 C ATOM 100 CG2 ILE A 10 13.056 9.933 2.315 1.00 0.00 C ATOM 101 CD1 ILE A 10 13.154 13.691 1.725 1.00 0.00 C ATOM 0 H ILE A 10 10.350 12.942 2.359 1.00 0.00 H new ATOM 0 HA ILE A 10 11.167 10.871 0.444 1.00 0.00 H new ATOM 0 HB ILE A 10 12.265 11.729 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.340 11.935 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.068 12.117 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.029 10.048 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.423 9.295 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.185 9.477 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.819 14.296 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.123 14.007 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.414 13.822 2.775 1.00 0.00 H new ATOM 113 N ILE A 11 10.231 8.874 1.641 1.00 0.00 N ATOM 114 CA ILE A 11 9.510 7.752 2.231 1.00 0.00 C ATOM 115 C ILE A 11 10.422 6.925 3.131 1.00 0.00 C ATOM 116 O ILE A 11 11.017 5.940 2.692 1.00 0.00 O ATOM 117 CB ILE A 11 8.909 6.837 1.147 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.696 7.507 0.498 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.522 5.493 1.745 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.405 7.007 -0.899 1.00 0.00 C ATOM 0 H ILE A 11 10.725 8.651 0.777 1.00 0.00 H new ATOM 0 HA ILE A 11 8.701 8.174 2.827 1.00 0.00 H new ATOM 0 HB ILE A 11 9.661 6.667 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.820 7.340 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.862 8.584 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.099 4.857 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.406 5.013 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.783 5.644 2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.533 7.526 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.265 7.199 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.207 5.936 -0.868 1.00 0.00 H new ATOM 132 N LEU A 12 10.525 7.330 4.391 1.00 0.00 N ATOM 133 CA LEU A 12 11.363 6.625 5.355 1.00 0.00 C ATOM 134 C LEU A 12 11.340 5.121 5.100 1.00 0.00 C ATOM 135 O LEU A 12 12.362 4.447 5.219 1.00 0.00 O ATOM 136 CB LEU A 12 10.893 6.919 6.781 1.00 0.00 C ATOM 137 CG LEU A 12 11.060 8.362 7.258 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.200 8.622 8.485 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.523 8.659 7.558 1.00 0.00 C ATOM 0 H LEU A 12 10.039 8.143 4.770 1.00 0.00 H new ATOM 0 HA LEU A 12 12.387 6.979 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.839 6.652 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.437 6.266 7.464 1.00 0.00 H new ATOM 0 HG LEU A 12 10.730 9.028 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.332 9.654 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.152 8.451 8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.498 7.948 9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.623 9.690 7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.879 7.985 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.116 8.514 6.655 1.00 0.00 H new ATOM 151 N GLN A 13 10.168 4.605 4.746 1.00 0.00 N ATOM 152 CA GLN A 13 10.012 3.181 4.473 1.00 0.00 C ATOM 153 C GLN A 13 8.676 2.900 3.793 1.00 0.00 C ATOM 154 O GLN A 13 7.621 2.970 4.422 1.00 0.00 O ATOM 155 CB GLN A 13 10.117 2.376 5.769 1.00 0.00 C ATOM 156 CG GLN A 13 10.104 0.872 5.554 1.00 0.00 C ATOM 157 CD GLN A 13 9.863 0.101 6.837 1.00 0.00 C ATOM 158 OE1 GLN A 13 10.202 0.564 7.927 1.00 0.00 O ATOM 159 NE2 GLN A 13 9.274 -1.083 6.716 1.00 0.00 N ATOM 0 H GLN A 13 9.313 5.151 4.641 1.00 0.00 H new ATOM 0 HA GLN A 13 10.813 2.877 3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.036 2.653 6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.289 2.648 6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.328 0.619 4.831 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.056 0.562 5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.009 -1.429 5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.086 -1.646 7.545 1.00 0.00 H new ATOM 168 N GLY A 14 8.730 2.582 2.503 1.00 0.00 N ATOM 169 CA GLY A 14 7.517 2.296 1.759 1.00 0.00 C ATOM 170 C GLY A 14 7.174 0.819 1.755 1.00 0.00 C ATOM 171 O GLY A 14 7.673 0.042 2.569 1.00 0.00 O ATOM 0 H GLY A 14 9.591 2.517 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.688 2.857 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.634 2.641 0.732 1.00 0.00 H new ATOM 175 N PRO A 15 6.301 0.413 0.821 1.00 0.00 N ATOM 176 CA PRO A 15 5.871 -0.983 0.693 1.00 0.00 C ATOM 177 C PRO A 15 6.987 -1.889 0.183 1.00 0.00 C ATOM 178 O PRO A 15 8.087 -1.425 -0.119 1.00 0.00 O ATOM 179 CB PRO A 15 4.733 -0.911 -0.328 1.00 0.00 C ATOM 180 CG PRO A 15 5.018 0.312 -1.128 1.00 0.00 C ATOM 181 CD PRO A 15 5.666 1.285 -0.182 1.00 0.00 C ATOM 0 HA PRO A 15 5.576 -1.408 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.710 -1.800 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.763 -0.845 0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.677 0.085 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.101 0.727 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.398 1.913 -0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.934 1.953 0.272 1.00 0.00 H new ATOM 189 N ALA A 16 6.697 -3.182 0.090 1.00 0.00 N ATOM 190 CA ALA A 16 7.676 -4.152 -0.385 1.00 0.00 C ATOM 191 C ALA A 16 6.991 -5.396 -0.941 1.00 0.00 C ATOM 192 O ALA A 16 5.963 -5.832 -0.425 1.00 0.00 O ATOM 193 CB ALA A 16 8.632 -4.530 0.736 1.00 0.00 C ATOM 0 H ALA A 16 5.792 -3.582 0.337 1.00 0.00 H new ATOM 0 HA ALA A 16 8.245 -3.691 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.357 -5.255 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.155 -3.639 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.070 -4.967 1.561 1.00 0.00 H new ATOM 199 N ASN A 17 7.568 -5.962 -1.996 1.00 0.00 N ATOM 200 CA ASN A 17 7.011 -7.156 -2.623 1.00 0.00 C ATOM 201 C ASN A 17 6.774 -8.252 -1.589 1.00 0.00 C ATOM 202 O ASN A 17 7.719 -8.776 -0.999 1.00 0.00 O ATOM 203 CB ASN A 17 7.949 -7.666 -3.719 1.00 0.00 C ATOM 204 CG ASN A 17 9.345 -7.949 -3.199 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.853 -7.237 -2.333 1.00 0.00 O ATOM 206 ND2 ASN A 17 9.973 -8.992 -3.729 1.00 0.00 N ATOM 0 H ASN A 17 8.420 -5.614 -2.435 1.00 0.00 H new ATOM 0 HA ASN A 17 6.053 -6.889 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.535 -8.576 -4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.005 -6.927 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.915 -9.231 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.513 -9.555 -4.445 1.00 0.00 H new ATOM 213 N GLN A 18 5.507 -8.594 -1.376 1.00 0.00 N ATOM 214 CA GLN A 18 5.147 -9.628 -0.414 1.00 0.00 C ATOM 215 C GLN A 18 4.254 -10.684 -1.058 1.00 0.00 C ATOM 216 O GLN A 18 3.464 -10.382 -1.953 1.00 0.00 O ATOM 217 CB GLN A 18 4.437 -9.008 0.791 1.00 0.00 C ATOM 218 CG GLN A 18 3.473 -7.892 0.421 1.00 0.00 C ATOM 219 CD GLN A 18 3.002 -7.105 1.628 1.00 0.00 C ATOM 220 OE1 GLN A 18 2.599 -7.679 2.639 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.050 -5.781 1.527 1.00 0.00 N ATOM 0 H GLN A 18 4.714 -8.170 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 18 6.064 -10.111 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.891 -9.788 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.185 -8.617 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.959 -7.216 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.610 -8.317 -0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.392 -5.347 0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.745 -5.199 2.307 1.00 0.00 H new ATOM 230 N THR A 19 4.385 -11.924 -0.597 1.00 0.00 N ATOM 231 CA THR A 19 3.591 -13.025 -1.129 1.00 0.00 C ATOM 232 C THR A 19 2.738 -13.664 -0.039 1.00 0.00 C ATOM 233 O THR A 19 3.239 -14.429 0.786 1.00 0.00 O ATOM 234 CB THR A 19 4.485 -14.105 -1.765 1.00 0.00 C ATOM 235 OG1 THR A 19 5.455 -13.495 -2.624 1.00 0.00 O ATOM 236 CG2 THR A 19 3.651 -15.099 -2.560 1.00 0.00 C ATOM 0 H THR A 19 5.033 -12.191 0.144 1.00 0.00 H new ATOM 0 HA THR A 19 2.940 -12.605 -1.896 1.00 0.00 H new ATOM 0 HB THR A 19 4.995 -14.641 -0.964 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.021 -14.189 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.304 -15.852 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.933 -15.583 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.117 -14.574 -3.352 1.00 0.00 H new ATOM 244 N LEU A 20 1.449 -13.347 -0.041 1.00 0.00 N ATOM 245 CA LEU A 20 0.525 -13.892 0.947 1.00 0.00 C ATOM 246 C LEU A 20 -0.433 -14.890 0.305 1.00 0.00 C ATOM 247 O LEU A 20 -0.325 -15.194 -0.882 1.00 0.00 O ATOM 248 CB LEU A 20 -0.266 -12.763 1.612 1.00 0.00 C ATOM 249 CG LEU A 20 0.562 -11.627 2.212 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.332 -10.453 2.581 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.334 -12.114 3.429 1.00 0.00 C ATOM 0 H LEU A 20 1.019 -12.715 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 20 1.109 -14.414 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.946 -12.339 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.881 -13.194 2.402 1.00 0.00 H new ATOM 0 HG LEU A 20 1.279 -11.291 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.274 -9.654 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.839 -10.087 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.073 -10.776 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.918 -11.292 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.635 -12.477 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.004 -12.922 3.136 1.00 0.00 H new ATOM 263 N ALA A 21 -1.372 -15.396 1.099 1.00 0.00 N ATOM 264 CA ALA A 21 -2.352 -16.356 0.607 1.00 0.00 C ATOM 265 C ALA A 21 -3.720 -15.705 0.435 1.00 0.00 C ATOM 266 O ALA A 21 -4.030 -14.706 1.085 1.00 0.00 O ATOM 267 CB ALA A 21 -2.446 -17.545 1.552 1.00 0.00 C ATOM 0 H ALA A 21 -1.474 -15.157 2.085 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.021 -16.708 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.182 -18.254 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.474 -18.033 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.750 -17.201 2.541 1.00 0.00 H new ATOM 273 N VAL A 22 -4.537 -16.278 -0.444 1.00 0.00 N ATOM 274 CA VAL A 22 -5.873 -15.753 -0.701 1.00 0.00 C ATOM 275 C VAL A 22 -6.784 -15.958 0.504 1.00 0.00 C ATOM 276 O VAL A 22 -6.636 -16.926 1.250 1.00 0.00 O ATOM 277 CB VAL A 22 -6.510 -16.422 -1.933 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.565 -17.931 -1.754 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.900 -15.856 -2.186 1.00 0.00 C ATOM 0 H VAL A 22 -4.297 -17.106 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.764 -14.686 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.890 -16.207 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.018 -18.386 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.555 -18.319 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.162 -18.172 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.336 -16.339 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.531 -16.040 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.829 -14.783 -2.363 1.00 0.00 H new ATOM 289 N ASP A 23 -7.728 -15.041 0.687 1.00 0.00 N ATOM 290 CA ASP A 23 -8.666 -15.122 1.800 1.00 0.00 C ATOM 291 C ASP A 23 -7.960 -14.854 3.126 1.00 0.00 C ATOM 292 O ASP A 23 -8.086 -15.627 4.075 1.00 0.00 O ATOM 293 CB ASP A 23 -9.335 -16.497 1.833 1.00 0.00 C ATOM 294 CG ASP A 23 -9.818 -16.939 0.466 1.00 0.00 C ATOM 295 OD1 ASP A 23 -10.647 -16.221 -0.132 1.00 0.00 O ATOM 296 OD2 ASP A 23 -9.365 -18.002 -0.008 1.00 0.00 O ATOM 0 H ASP A 23 -7.864 -14.233 0.079 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.430 -14.359 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.629 -17.232 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.179 -16.471 2.522 1.00 0.00 H new ATOM 301 N GLY A 24 -7.216 -13.754 3.183 1.00 0.00 N ATOM 302 CA GLY A 24 -6.500 -13.405 4.396 1.00 0.00 C ATOM 303 C GLY A 24 -6.461 -11.908 4.636 1.00 0.00 C ATOM 304 O GLY A 24 -7.497 -11.242 4.617 1.00 0.00 O ATOM 0 H GLY A 24 -7.096 -13.098 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.974 -13.894 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.481 -13.787 4.335 1.00 0.00 H new ATOM 308 N THR A 25 -5.264 -11.378 4.865 1.00 0.00 N ATOM 309 CA THR A 25 -5.095 -9.952 5.113 1.00 0.00 C ATOM 310 C THR A 25 -3.758 -9.455 4.575 1.00 0.00 C ATOM 311 O THR A 25 -2.714 -10.055 4.828 1.00 0.00 O ATOM 312 CB THR A 25 -5.182 -9.629 6.617 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.302 -10.305 7.199 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.315 -8.130 6.841 1.00 0.00 C ATOM 0 H THR A 25 -4.397 -11.915 4.884 1.00 0.00 H new ATOM 0 HA THR A 25 -5.906 -9.443 4.592 1.00 0.00 H new ATOM 0 HB THR A 25 -4.264 -9.972 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.350 -10.096 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.375 -7.926 7.910 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.447 -7.621 6.422 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.219 -7.768 6.351 1.00 0.00 H new ATOM 322 N ALA A 26 -3.797 -8.354 3.831 1.00 0.00 N ATOM 323 CA ALA A 26 -2.588 -7.775 3.260 1.00 0.00 C ATOM 324 C ALA A 26 -2.437 -6.312 3.662 1.00 0.00 C ATOM 325 O ALA A 26 -3.235 -5.462 3.263 1.00 0.00 O ATOM 326 CB ALA A 26 -2.604 -7.909 1.744 1.00 0.00 C ATOM 0 H ALA A 26 -4.653 -7.846 3.610 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.732 -8.323 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.695 -7.472 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.656 -8.963 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.472 -7.387 1.342 1.00 0.00 H new ATOM 332 N LEU A 27 -1.410 -6.023 4.453 1.00 0.00 N ATOM 333 CA LEU A 27 -1.155 -4.662 4.910 1.00 0.00 C ATOM 334 C LEU A 27 0.066 -4.072 4.210 1.00 0.00 C ATOM 335 O LEU A 27 1.043 -4.775 3.946 1.00 0.00 O ATOM 336 CB LEU A 27 -0.947 -4.642 6.425 1.00 0.00 C ATOM 337 CG LEU A 27 -2.201 -4.425 7.272 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.871 -5.754 7.585 1.00 0.00 C ATOM 339 CD2 LEU A 27 -1.856 -3.684 8.556 1.00 0.00 C ATOM 0 H LEU A 27 -0.740 -6.714 4.791 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.024 -4.053 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.492 -5.587 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.232 -3.855 6.663 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.901 -3.815 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.762 -5.579 8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.154 -6.247 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.178 -6.390 8.136 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.761 -3.538 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.137 -4.268 9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.422 -2.714 8.311 1.00 0.00 H new ATOM 351 N LEU A 28 0.004 -2.779 3.914 1.00 0.00 N ATOM 352 CA LEU A 28 1.105 -2.093 3.247 1.00 0.00 C ATOM 353 C LEU A 28 1.655 -0.968 4.119 1.00 0.00 C ATOM 354 O LEU A 28 1.018 0.073 4.282 1.00 0.00 O ATOM 355 CB LEU A 28 0.642 -1.531 1.902 1.00 0.00 C ATOM 356 CG LEU A 28 0.652 -2.509 0.726 1.00 0.00 C ATOM 357 CD1 LEU A 28 2.058 -2.653 0.164 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.106 -3.864 1.155 1.00 0.00 C ATOM 0 H LEU A 28 -0.797 -2.184 4.125 1.00 0.00 H new ATOM 0 HA LEU A 28 1.901 -2.818 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.371 -1.147 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.277 -0.682 1.648 1.00 0.00 H new ATOM 0 HG LEU A 28 0.008 -2.111 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.046 -3.353 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.413 -1.682 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.724 -3.028 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.120 -4.547 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.724 -4.268 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.918 -3.748 1.510 1.00 0.00 H new ATOM 370 N LYS A 29 2.842 -1.184 4.675 1.00 0.00 N ATOM 371 CA LYS A 29 3.481 -0.188 5.527 1.00 0.00 C ATOM 372 C LYS A 29 4.097 0.929 4.691 1.00 0.00 C ATOM 373 O LYS A 29 4.780 0.671 3.699 1.00 0.00 O ATOM 374 CB LYS A 29 4.558 -0.844 6.394 1.00 0.00 C ATOM 375 CG LYS A 29 4.001 -1.586 7.598 1.00 0.00 C ATOM 376 CD LYS A 29 3.200 -2.807 7.179 1.00 0.00 C ATOM 377 CE LYS A 29 2.847 -3.679 8.374 1.00 0.00 C ATOM 378 NZ LYS A 29 4.040 -4.388 8.915 1.00 0.00 N ATOM 0 H LYS A 29 3.382 -2.041 4.551 1.00 0.00 H new ATOM 0 HA LYS A 29 2.717 0.245 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.131 -1.540 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.252 -0.077 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.820 -1.893 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.367 -0.916 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.286 -2.489 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.774 -3.390 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.406 -3.062 9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.093 -4.409 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.733 -5.131 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.572 -4.819 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.649 -3.710 9.416 1.00 0.00 H new ATOM 392 N CYS A 30 3.853 2.170 5.098 1.00 0.00 N ATOM 393 CA CYS A 30 4.385 3.326 4.388 1.00 0.00 C ATOM 394 C CYS A 30 4.553 4.514 5.331 1.00 0.00 C ATOM 395 O CYS A 30 3.644 4.853 6.089 1.00 0.00 O ATOM 396 CB CYS A 30 3.462 3.708 3.229 1.00 0.00 C ATOM 397 SG CYS A 30 4.319 4.476 1.817 1.00 0.00 S ATOM 0 H CYS A 30 3.290 2.401 5.917 1.00 0.00 H new ATOM 0 HA CYS A 30 5.364 3.058 3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.943 2.814 2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.701 4.397 3.596 1.00 0.00 H new ATOM 402 N LYS A 31 5.722 5.144 5.278 1.00 0.00 N ATOM 403 CA LYS A 31 6.011 6.295 6.125 1.00 0.00 C ATOM 404 C LYS A 31 6.864 7.317 5.382 1.00 0.00 C ATOM 405 O LYS A 31 7.917 6.984 4.840 1.00 0.00 O ATOM 406 CB LYS A 31 6.728 5.847 7.401 1.00 0.00 C ATOM 407 CG LYS A 31 6.602 6.835 8.548 1.00 0.00 C ATOM 408 CD LYS A 31 7.068 6.228 9.861 1.00 0.00 C ATOM 409 CE LYS A 31 7.558 7.296 10.826 1.00 0.00 C ATOM 410 NZ LYS A 31 6.456 8.199 11.260 1.00 0.00 N ATOM 0 H LYS A 31 6.485 4.876 4.657 1.00 0.00 H new ATOM 0 HA LYS A 31 5.065 6.765 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.325 4.884 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.784 5.693 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.191 7.726 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.564 7.154 8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.249 5.672 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.869 5.514 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.003 6.820 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.343 7.884 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.831 8.913 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.048 8.673 10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.719 7.642 11.737 1.00 0.00 H new ATOM 424 N ALA A 32 6.402 8.563 5.361 1.00 0.00 N ATOM 425 CA ALA A 32 7.125 9.635 4.687 1.00 0.00 C ATOM 426 C ALA A 32 7.140 10.903 5.533 1.00 0.00 C ATOM 427 O ALA A 32 6.197 11.179 6.275 1.00 0.00 O ATOM 428 CB ALA A 32 6.506 9.914 3.325 1.00 0.00 C ATOM 0 H ALA A 32 5.530 8.855 5.803 1.00 0.00 H new ATOM 0 HA ALA A 32 8.156 9.312 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.056 10.716 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.553 9.013 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.465 10.212 3.452 1.00 0.00 H new ATOM 434 N THR A 33 8.217 11.673 5.418 1.00 0.00 N ATOM 435 CA THR A 33 8.356 12.912 6.173 1.00 0.00 C ATOM 436 C THR A 33 8.389 14.121 5.246 1.00 0.00 C ATOM 437 O THR A 33 8.851 14.032 4.109 1.00 0.00 O ATOM 438 CB THR A 33 9.634 12.905 7.034 1.00 0.00 C ATOM 439 OG1 THR A 33 9.804 14.177 7.669 1.00 0.00 O ATOM 440 CG2 THR A 33 10.856 12.588 6.186 1.00 0.00 C ATOM 0 H THR A 33 9.007 11.460 4.809 1.00 0.00 H new ATOM 0 HA THR A 33 7.486 12.982 6.826 1.00 0.00 H new ATOM 0 HB THR A 33 9.529 12.131 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.617 14.164 8.216 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.746 12.589 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.736 11.606 5.728 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.963 13.342 5.406 1.00 0.00 H new ATOM 448 N GLY A 34 7.895 15.253 5.738 1.00 0.00 N ATOM 449 CA GLY A 34 7.879 16.465 4.940 1.00 0.00 C ATOM 450 C GLY A 34 6.909 17.499 5.476 1.00 0.00 C ATOM 451 O GLY A 34 6.064 17.191 6.316 1.00 0.00 O ATOM 0 H GLY A 34 7.505 15.352 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.882 16.892 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.610 16.217 3.913 1.00 0.00 H new ATOM 455 N ASP A 35 7.033 18.730 4.992 1.00 0.00 N ATOM 456 CA ASP A 35 6.161 19.815 5.429 1.00 0.00 C ATOM 457 C ASP A 35 5.754 20.693 4.250 1.00 0.00 C ATOM 458 O ASP A 35 6.592 21.248 3.540 1.00 0.00 O ATOM 459 CB ASP A 35 6.858 20.661 6.495 1.00 0.00 C ATOM 460 CG ASP A 35 5.883 21.498 7.299 1.00 0.00 C ATOM 461 OD1 ASP A 35 5.065 20.911 8.038 1.00 0.00 O ATOM 462 OD2 ASP A 35 5.939 22.741 7.191 1.00 0.00 O ATOM 0 H ASP A 35 7.729 19.002 4.297 1.00 0.00 H new ATOM 0 HA ASP A 35 5.261 19.374 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.412 20.007 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.586 21.316 6.016 1.00 0.00 H new ATOM 467 N PRO A 36 4.436 20.823 4.035 1.00 0.00 N ATOM 468 CA PRO A 36 3.429 20.167 4.874 1.00 0.00 C ATOM 469 C PRO A 36 3.411 18.654 4.682 1.00 0.00 C ATOM 470 O PRO A 36 3.974 18.133 3.719 1.00 0.00 O ATOM 471 CB PRO A 36 2.112 20.783 4.395 1.00 0.00 C ATOM 472 CG PRO A 36 2.382 21.210 2.993 1.00 0.00 C ATOM 473 CD PRO A 36 3.828 21.620 2.956 1.00 0.00 C ATOM 0 HA PRO A 36 3.623 20.316 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.298 20.060 4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.821 21.629 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.189 20.397 2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.734 22.038 2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.283 21.402 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.947 22.689 3.130 1.00 0.00 H new ATOM 481 N LEU A 37 2.760 17.953 5.604 1.00 0.00 N ATOM 482 CA LEU A 37 2.668 16.499 5.536 1.00 0.00 C ATOM 483 C LEU A 37 2.190 16.048 4.159 1.00 0.00 C ATOM 484 O LEU A 37 1.205 16.553 3.620 1.00 0.00 O ATOM 485 CB LEU A 37 1.717 15.977 6.614 1.00 0.00 C ATOM 486 CG LEU A 37 2.323 15.775 8.004 1.00 0.00 C ATOM 487 CD1 LEU A 37 3.439 14.743 7.954 1.00 0.00 C ATOM 488 CD2 LEU A 37 2.840 17.096 8.557 1.00 0.00 C ATOM 0 H LEU A 37 2.288 18.368 6.407 1.00 0.00 H new ATOM 0 HA LEU A 37 3.663 16.088 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.882 16.672 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.306 15.025 6.277 1.00 0.00 H new ATOM 0 HG LEU A 37 1.543 15.405 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.858 14.612 8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.040 13.792 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.220 15.084 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.268 16.934 9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.606 17.494 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.017 17.807 8.630 1.00 0.00 H new ATOM 500 N PRO A 38 2.902 15.072 3.576 1.00 0.00 N ATOM 501 CA PRO A 38 2.568 14.529 2.256 1.00 0.00 C ATOM 502 C PRO A 38 1.280 13.712 2.274 1.00 0.00 C ATOM 503 O PRO A 38 0.904 13.151 3.303 1.00 0.00 O ATOM 504 CB PRO A 38 3.765 13.632 1.928 1.00 0.00 C ATOM 505 CG PRO A 38 4.324 13.247 3.254 1.00 0.00 C ATOM 506 CD PRO A 38 4.088 14.423 4.161 1.00 0.00 C ATOM 0 HA PRO A 38 2.395 15.317 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.458 12.755 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.503 14.161 1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.834 12.353 3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.387 13.020 3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.908 14.108 5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.946 15.095 4.179 1.00 0.00 H new ATOM 514 N VAL A 39 0.608 13.650 1.129 1.00 0.00 N ATOM 515 CA VAL A 39 -0.637 12.901 1.013 1.00 0.00 C ATOM 516 C VAL A 39 -0.374 11.460 0.592 1.00 0.00 C ATOM 517 O VAL A 39 -0.326 11.149 -0.598 1.00 0.00 O ATOM 518 CB VAL A 39 -1.593 13.555 -0.003 1.00 0.00 C ATOM 519 CG1 VAL A 39 -2.855 12.721 -0.162 1.00 0.00 C ATOM 520 CG2 VAL A 39 -1.932 14.975 0.423 1.00 0.00 C ATOM 0 H VAL A 39 0.905 14.110 0.268 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.104 12.909 1.998 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.092 13.600 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.518 13.198 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.590 11.725 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.362 12.641 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.608 15.422 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.413 14.956 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.018 15.566 0.480 1.00 0.00 H new ATOM 530 N ILE A 40 -0.204 10.583 1.576 1.00 0.00 N ATOM 531 CA ILE A 40 0.052 9.174 1.308 1.00 0.00 C ATOM 532 C ILE A 40 -1.115 8.535 0.563 1.00 0.00 C ATOM 533 O ILE A 40 -2.194 8.347 1.124 1.00 0.00 O ATOM 534 CB ILE A 40 0.307 8.390 2.609 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.476 9.006 3.380 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.582 6.926 2.300 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.829 8.694 2.779 1.00 0.00 C ATOM 0 H ILE A 40 -0.239 10.824 2.566 1.00 0.00 H new ATOM 0 HA ILE A 40 0.946 9.129 0.686 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.586 8.448 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.345 10.087 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.453 8.645 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.760 6.385 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.278 6.494 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.461 6.848 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.610 9.163 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.981 7.615 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.872 9.079 1.760 1.00 0.00 H new ATOM 549 N SER A 41 -0.890 8.201 -0.704 1.00 0.00 N ATOM 550 CA SER A 41 -1.924 7.584 -1.527 1.00 0.00 C ATOM 551 C SER A 41 -1.431 6.268 -2.121 1.00 0.00 C ATOM 552 O SER A 41 -0.261 5.911 -1.983 1.00 0.00 O ATOM 553 CB SER A 41 -2.348 8.535 -2.647 1.00 0.00 C ATOM 554 OG SER A 41 -3.128 9.604 -2.140 1.00 0.00 O ATOM 0 H SER A 41 -0.001 8.347 -1.183 1.00 0.00 H new ATOM 0 HA SER A 41 -2.785 7.376 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.464 8.931 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.919 7.987 -3.397 1.00 0.00 H new ATOM 0 HG SER A 41 -3.385 10.199 -2.875 1.00 0.00 H new ATOM 560 N TRP A 42 -2.333 5.551 -2.782 1.00 0.00 N ATOM 561 CA TRP A 42 -1.991 4.274 -3.398 1.00 0.00 C ATOM 562 C TRP A 42 -2.634 4.144 -4.774 1.00 0.00 C ATOM 563 O TRP A 42 -3.812 4.458 -4.952 1.00 0.00 O ATOM 564 CB TRP A 42 -2.437 3.117 -2.502 1.00 0.00 C ATOM 565 CG TRP A 42 -1.862 3.182 -1.119 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.349 3.897 -0.062 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.692 2.507 -0.645 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.552 3.707 1.041 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.529 2.857 0.710 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.232 1.638 -1.231 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.521 2.371 1.483 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.274 1.156 -0.462 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.412 1.522 0.883 1.00 0.00 C ATOM 0 H TRP A 42 -3.306 5.832 -2.905 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.908 4.235 -3.518 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.525 3.116 -2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.145 2.174 -2.965 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.231 4.520 -0.089 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.698 4.130 1.958 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.134 1.348 -2.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.629 2.654 2.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.995 0.485 -0.906 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.237 1.127 1.458 1.00 0.00 H new ATOM 584 N LEU A 43 -1.856 3.679 -5.745 1.00 0.00 N ATOM 585 CA LEU A 43 -2.350 3.507 -7.106 1.00 0.00 C ATOM 586 C LEU A 43 -2.243 2.050 -7.545 1.00 0.00 C ATOM 587 O LEU A 43 -1.149 1.544 -7.796 1.00 0.00 O ATOM 588 CB LEU A 43 -1.568 4.400 -8.071 1.00 0.00 C ATOM 589 CG LEU A 43 -1.916 5.889 -8.040 1.00 0.00 C ATOM 590 CD1 LEU A 43 -0.980 6.675 -8.945 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.365 6.105 -8.451 1.00 0.00 C ATOM 0 H LEU A 43 -0.880 3.414 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.401 3.796 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.505 4.291 -7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.726 4.031 -9.085 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.790 6.252 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.243 7.732 -8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.048 6.545 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.073 6.312 -9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.596 7.170 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.517 5.727 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.022 5.573 -7.762 1.00 0.00 H new ATOM 603 N LYS A 44 -3.387 1.380 -7.636 1.00 0.00 N ATOM 604 CA LYS A 44 -3.424 -0.019 -8.048 1.00 0.00 C ATOM 605 C LYS A 44 -3.425 -0.139 -9.568 1.00 0.00 C ATOM 606 O LYS A 44 -4.449 0.076 -10.216 1.00 0.00 O ATOM 607 CB LYS A 44 -4.662 -0.709 -7.470 1.00 0.00 C ATOM 608 CG LYS A 44 -4.800 -2.162 -7.890 1.00 0.00 C ATOM 609 CD LYS A 44 -5.692 -2.936 -6.935 1.00 0.00 C ATOM 610 CE LYS A 44 -4.895 -3.526 -5.782 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.514 -4.777 -5.262 1.00 0.00 N ATOM 0 H LYS A 44 -4.301 1.783 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.529 -0.509 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.622 -0.656 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.552 -0.163 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.213 -2.213 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.815 -2.626 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.466 -2.276 -6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.198 -3.736 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.878 -3.735 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.824 -2.794 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.345 -4.848 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.538 -4.759 -5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.092 -5.598 -5.740 1.00 0.00 H new ATOM 625 N GLU A 45 -2.271 -0.483 -10.131 1.00 0.00 N ATOM 626 CA GLU A 45 -2.141 -0.632 -11.576 1.00 0.00 C ATOM 627 C GLU A 45 -2.434 0.686 -12.287 1.00 0.00 C ATOM 628 O GLU A 45 -2.990 0.701 -13.384 1.00 0.00 O ATOM 629 CB GLU A 45 -3.087 -1.721 -12.086 1.00 0.00 C ATOM 630 CG GLU A 45 -2.884 -3.068 -11.412 1.00 0.00 C ATOM 631 CD GLU A 45 -3.737 -4.161 -12.026 1.00 0.00 C ATOM 632 OE1 GLU A 45 -3.394 -4.630 -13.131 1.00 0.00 O ATOM 633 OE2 GLU A 45 -4.747 -4.547 -11.401 1.00 0.00 O ATOM 0 H GLU A 45 -1.413 -0.664 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.113 -0.922 -11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.116 -1.398 -11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.948 -1.837 -13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.833 -3.350 -11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.121 -2.979 -10.352 1.00 0.00 H new ATOM 640 N GLY A 46 -2.055 1.791 -11.652 1.00 0.00 N ATOM 641 CA GLY A 46 -2.286 3.099 -12.238 1.00 0.00 C ATOM 642 C GLY A 46 -3.742 3.515 -12.172 1.00 0.00 C ATOM 643 O GLY A 46 -4.297 4.015 -13.150 1.00 0.00 O ATOM 0 H GLY A 46 -1.592 1.804 -10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.676 3.839 -11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.961 3.090 -13.278 1.00 0.00 H new ATOM 647 N PHE A 47 -4.362 3.308 -11.015 1.00 0.00 N ATOM 648 CA PHE A 47 -5.764 3.663 -10.826 1.00 0.00 C ATOM 649 C PHE A 47 -6.071 3.896 -9.349 1.00 0.00 C ATOM 650 O PHE A 47 -5.492 3.253 -8.473 1.00 0.00 O ATOM 651 CB PHE A 47 -6.670 2.561 -11.378 1.00 0.00 C ATOM 652 CG PHE A 47 -6.715 2.518 -12.879 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.302 3.547 -13.597 1.00 0.00 C ATOM 654 CD2 PHE A 47 -6.171 1.448 -13.571 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.345 3.511 -14.978 1.00 0.00 C ATOM 656 CE2 PHE A 47 -6.210 1.407 -14.952 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.799 2.439 -15.657 1.00 0.00 C ATOM 0 H PHE A 47 -3.916 2.897 -10.195 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.955 4.588 -11.370 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.325 1.597 -11.005 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.680 2.707 -10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.731 4.387 -13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.711 0.637 -13.025 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.805 4.320 -15.526 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.780 0.569 -15.480 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.832 2.408 -16.736 1.00 0.00 H new ATOM 667 N THR A 48 -6.986 4.823 -9.081 1.00 0.00 N ATOM 668 CA THR A 48 -7.370 5.144 -7.712 1.00 0.00 C ATOM 669 C THR A 48 -7.536 3.880 -6.876 1.00 0.00 C ATOM 670 O THR A 48 -8.188 2.925 -7.300 1.00 0.00 O ATOM 671 CB THR A 48 -8.682 5.949 -7.670 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.827 6.584 -6.395 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.879 5.048 -7.933 1.00 0.00 C ATOM 0 H THR A 48 -7.475 5.364 -9.794 1.00 0.00 H new ATOM 0 HA THR A 48 -6.567 5.750 -7.293 1.00 0.00 H new ATOM 0 HB THR A 48 -8.641 6.709 -8.451 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.663 7.095 -6.377 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.794 5.639 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.780 4.590 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.922 4.268 -7.172 1.00 0.00 H new ATOM 681 N PHE A 49 -6.943 3.880 -5.687 1.00 0.00 N ATOM 682 CA PHE A 49 -7.026 2.732 -4.792 1.00 0.00 C ATOM 683 C PHE A 49 -6.557 3.102 -3.388 1.00 0.00 C ATOM 684 O PHE A 49 -5.582 3.832 -3.204 1.00 0.00 O ATOM 685 CB PHE A 49 -6.186 1.574 -5.334 1.00 0.00 C ATOM 686 CG PHE A 49 -6.213 0.352 -4.460 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.304 0.204 -3.425 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.149 -0.647 -4.672 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.326 -0.919 -2.620 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.177 -1.772 -3.870 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.265 -1.908 -2.842 1.00 0.00 C ATOM 0 H PHE A 49 -6.400 4.662 -5.321 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.069 2.420 -4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.547 1.308 -6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.154 1.906 -5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.570 0.975 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.865 -0.545 -5.474 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.610 -1.024 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.911 -2.544 -4.047 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.286 -2.786 -2.213 1.00 0.00 H new ATOM 701 N PRO A 50 -7.266 2.587 -2.372 1.00 0.00 N ATOM 702 CA PRO A 50 -8.428 1.717 -2.579 1.00 0.00 C ATOM 703 C PRO A 50 -9.620 2.471 -3.159 1.00 0.00 C ATOM 704 O PRO A 50 -10.269 2.001 -4.092 1.00 0.00 O ATOM 705 CB PRO A 50 -8.748 1.213 -1.170 1.00 0.00 C ATOM 706 CG PRO A 50 -8.208 2.261 -0.260 1.00 0.00 C ATOM 707 CD PRO A 50 -6.989 2.815 -0.944 1.00 0.00 C ATOM 0 HA PRO A 50 -8.220 0.921 -3.294 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.821 1.083 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.282 0.246 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.946 3.043 -0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.952 1.840 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.852 3.874 -0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.081 2.303 -0.624 1.00 0.00 H new ATOM 715 N GLY A 51 -9.903 3.643 -2.599 1.00 0.00 N ATOM 716 CA GLY A 51 -11.017 4.443 -3.074 1.00 0.00 C ATOM 717 C GLY A 51 -12.272 4.236 -2.250 1.00 0.00 C ATOM 718 O GLY A 51 -12.241 4.338 -1.024 1.00 0.00 O ATOM 0 H GLY A 51 -9.381 4.053 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.740 5.497 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.223 4.192 -4.114 1.00 0.00 H new ATOM 722 N ARG A 52 -13.379 3.945 -2.925 1.00 0.00 N ATOM 723 CA ARG A 52 -14.652 3.726 -2.247 1.00 0.00 C ATOM 724 C ARG A 52 -14.688 2.350 -1.590 1.00 0.00 C ATOM 725 O ARG A 52 -15.245 2.183 -0.505 1.00 0.00 O ATOM 726 CB ARG A 52 -15.811 3.862 -3.237 1.00 0.00 C ATOM 727 CG ARG A 52 -17.130 4.235 -2.582 1.00 0.00 C ATOM 728 CD ARG A 52 -17.843 3.012 -2.027 1.00 0.00 C ATOM 729 NE ARG A 52 -18.690 2.370 -3.029 1.00 0.00 N ATOM 730 CZ ARG A 52 -19.738 2.960 -3.591 1.00 0.00 C ATOM 731 NH1 ARG A 52 -20.067 4.199 -3.252 1.00 0.00 N ATOM 732 NH2 ARG A 52 -20.460 2.311 -4.495 1.00 0.00 N ATOM 0 H ARG A 52 -13.421 3.855 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.757 4.483 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.557 4.619 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.934 2.920 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.949 4.948 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.771 4.732 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.105 2.296 -1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.452 3.305 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.464 1.417 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.514 4.702 -2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.873 4.649 -3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.210 1.358 -4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.265 2.765 -4.926 1.00 0.00 H new ATOM 746 N ASP A 53 -14.091 1.367 -2.255 1.00 0.00 N ATOM 747 CA ASP A 53 -14.054 0.005 -1.736 1.00 0.00 C ATOM 748 C ASP A 53 -13.875 0.005 -0.221 1.00 0.00 C ATOM 749 O ASP A 53 -12.793 0.273 0.301 1.00 0.00 O ATOM 750 CB ASP A 53 -12.922 -0.785 -2.395 1.00 0.00 C ATOM 751 CG ASP A 53 -13.232 -2.265 -2.498 1.00 0.00 C ATOM 752 OD1 ASP A 53 -14.428 -2.623 -2.486 1.00 0.00 O ATOM 753 OD2 ASP A 53 -12.278 -3.066 -2.590 1.00 0.00 O ATOM 0 H ASP A 53 -13.626 1.488 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.005 -0.472 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.737 -0.385 -3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.005 -0.648 -1.821 1.00 0.00 H new ATOM 758 N PRO A 54 -14.962 -0.300 0.504 1.00 0.00 N ATOM 759 CA PRO A 54 -14.951 -0.341 1.969 1.00 0.00 C ATOM 760 C PRO A 54 -14.140 -1.514 2.510 1.00 0.00 C ATOM 761 O PRO A 54 -13.650 -1.474 3.638 1.00 0.00 O ATOM 762 CB PRO A 54 -16.430 -0.502 2.330 1.00 0.00 C ATOM 763 CG PRO A 54 -17.043 -1.150 1.138 1.00 0.00 C ATOM 764 CD PRO A 54 -16.285 -0.630 -0.052 1.00 0.00 C ATOM 0 HA PRO A 54 -14.487 0.547 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.555 -1.116 3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.894 0.462 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.970 -2.236 1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -18.103 -0.906 1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -16.214 -1.378 -0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.769 0.246 -0.485 1.00 0.00 H new ATOM 772 N ARG A 55 -14.003 -2.557 1.698 1.00 0.00 N ATOM 773 CA ARG A 55 -13.252 -3.742 2.096 1.00 0.00 C ATOM 774 C ARG A 55 -11.824 -3.373 2.489 1.00 0.00 C ATOM 775 O ARG A 55 -11.237 -3.986 3.380 1.00 0.00 O ATOM 776 CB ARG A 55 -13.232 -4.765 0.959 1.00 0.00 C ATOM 777 CG ARG A 55 -14.551 -5.498 0.777 1.00 0.00 C ATOM 778 CD ARG A 55 -14.595 -6.778 1.598 1.00 0.00 C ATOM 779 NE ARG A 55 -13.869 -6.645 2.858 1.00 0.00 N ATOM 780 CZ ARG A 55 -14.127 -7.378 3.935 1.00 0.00 C ATOM 781 NH1 ARG A 55 -15.087 -8.291 3.906 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.422 -7.198 5.045 1.00 0.00 N ATOM 0 H ARG A 55 -14.402 -2.606 0.761 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.747 -4.182 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.977 -4.257 0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.444 -5.494 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.374 -4.847 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.694 -5.735 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.633 -7.041 1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.167 -7.596 1.018 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.123 -5.951 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.631 -8.433 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.282 -8.852 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.682 -6.497 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.620 -7.761 5.872 1.00 0.00 H new ATOM 796 N ALA A 56 -11.271 -2.369 1.816 1.00 0.00 N ATOM 797 CA ALA A 56 -9.913 -1.919 2.095 1.00 0.00 C ATOM 798 C ALA A 56 -9.915 -0.534 2.734 1.00 0.00 C ATOM 799 O ALA A 56 -10.688 0.341 2.343 1.00 0.00 O ATOM 800 CB ALA A 56 -9.087 -1.912 0.818 1.00 0.00 C ATOM 0 H ALA A 56 -11.743 -1.852 1.074 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.463 -2.616 2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.075 -1.574 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.050 -2.919 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.543 -1.238 0.093 1.00 0.00 H new ATOM 806 N THR A 57 -9.044 -0.342 3.720 1.00 0.00 N ATOM 807 CA THR A 57 -8.947 0.936 4.415 1.00 0.00 C ATOM 808 C THR A 57 -7.513 1.218 4.848 1.00 0.00 C ATOM 809 O THR A 57 -6.693 0.304 4.947 1.00 0.00 O ATOM 810 CB THR A 57 -9.862 0.973 5.653 1.00 0.00 C ATOM 811 OG1 THR A 57 -10.011 2.322 6.111 1.00 0.00 O ATOM 812 CG2 THR A 57 -9.294 0.112 6.772 1.00 0.00 C ATOM 0 H THR A 57 -8.396 -1.055 4.055 1.00 0.00 H new ATOM 0 HA THR A 57 -9.269 1.704 3.712 1.00 0.00 H new ATOM 0 HB THR A 57 -10.837 0.576 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.596 2.338 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.957 0.154 7.636 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.208 -0.919 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.309 0.484 7.053 1.00 0.00 H new ATOM 820 N ILE A 58 -7.216 2.487 5.106 1.00 0.00 N ATOM 821 CA ILE A 58 -5.881 2.888 5.530 1.00 0.00 C ATOM 822 C ILE A 58 -5.927 3.631 6.861 1.00 0.00 C ATOM 823 O ILE A 58 -6.628 4.633 7.000 1.00 0.00 O ATOM 824 CB ILE A 58 -5.201 3.785 4.479 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.504 3.274 3.068 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.700 3.838 4.718 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.274 4.308 1.989 1.00 0.00 C ATOM 0 H ILE A 58 -7.882 3.255 5.029 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.300 1.973 5.646 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.599 4.795 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.881 2.403 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.541 2.941 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.234 4.476 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.504 4.243 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.285 2.833 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.509 3.877 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.917 5.170 2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.231 4.624 2.004 1.00 0.00 H new ATOM 839 N GLN A 59 -5.174 3.133 7.837 1.00 0.00 N ATOM 840 CA GLN A 59 -5.128 3.750 9.157 1.00 0.00 C ATOM 841 C GLN A 59 -4.572 5.168 9.076 1.00 0.00 C ATOM 842 O GLN A 59 -4.236 5.652 7.996 1.00 0.00 O ATOM 843 CB GLN A 59 -4.276 2.908 10.108 1.00 0.00 C ATOM 844 CG GLN A 59 -4.586 1.421 10.048 1.00 0.00 C ATOM 845 CD GLN A 59 -6.040 1.115 10.348 1.00 0.00 C ATOM 846 OE1 GLN A 59 -6.429 0.970 11.507 1.00 0.00 O ATOM 847 NE2 GLN A 59 -6.852 1.016 9.302 1.00 0.00 N ATOM 0 H GLN A 59 -4.588 2.304 7.738 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.146 3.800 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.223 3.061 9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.428 3.261 11.128 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.336 1.041 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.953 0.893 10.761 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.486 1.144 8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.842 0.812 9.442 1.00 0.00 H new ATOM 856 N GLU A 60 -4.477 5.828 10.226 1.00 0.00 N ATOM 857 CA GLU A 60 -3.962 7.191 10.284 1.00 0.00 C ATOM 858 C GLU A 60 -2.455 7.213 10.049 1.00 0.00 C ATOM 859 O GLU A 60 -1.827 8.271 10.082 1.00 0.00 O ATOM 860 CB GLU A 60 -4.288 7.826 11.638 1.00 0.00 C ATOM 861 CG GLU A 60 -5.721 8.317 11.751 1.00 0.00 C ATOM 862 CD GLU A 60 -6.132 9.191 10.582 1.00 0.00 C ATOM 863 OE1 GLU A 60 -5.427 10.184 10.306 1.00 0.00 O ATOM 864 OE2 GLU A 60 -7.160 8.881 9.943 1.00 0.00 O ATOM 0 H GLU A 60 -4.750 5.441 11.130 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.444 7.768 9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.099 7.097 12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.611 8.663 11.809 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.391 7.460 11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.837 8.879 12.678 1.00 0.00 H new ATOM 871 N GLN A 61 -1.881 6.038 9.812 1.00 0.00 N ATOM 872 CA GLN A 61 -0.447 5.922 9.573 1.00 0.00 C ATOM 873 C GLN A 61 -0.169 5.470 8.143 1.00 0.00 C ATOM 874 O GLN A 61 0.804 4.764 7.883 1.00 0.00 O ATOM 875 CB GLN A 61 0.179 4.938 10.562 1.00 0.00 C ATOM 876 CG GLN A 61 0.304 5.491 11.973 1.00 0.00 C ATOM 877 CD GLN A 61 1.327 4.742 12.804 1.00 0.00 C ATOM 878 OE1 GLN A 61 1.839 3.702 12.390 1.00 0.00 O ATOM 879 NE2 GLN A 61 1.631 5.270 13.984 1.00 0.00 N ATOM 0 H GLN A 61 -2.387 5.153 9.780 1.00 0.00 H new ATOM 0 HA GLN A 61 0.001 6.905 9.718 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.423 4.030 10.589 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.168 4.654 10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.582 6.544 11.923 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.667 5.441 12.466 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.182 6.134 14.287 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.314 4.811 14.587 1.00 0.00 H new ATOM 888 N GLY A 62 -1.031 5.882 7.218 1.00 0.00 N ATOM 889 CA GLY A 62 -0.861 5.510 5.826 1.00 0.00 C ATOM 890 C GLY A 62 -0.729 4.011 5.639 1.00 0.00 C ATOM 891 O GLY A 62 -0.247 3.546 4.606 1.00 0.00 O ATOM 0 H GLY A 62 -1.844 6.467 7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.713 5.871 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.026 6.002 5.427 1.00 0.00 H new ATOM 895 N THR A 63 -1.158 3.251 6.642 1.00 0.00 N ATOM 896 CA THR A 63 -1.083 1.797 6.585 1.00 0.00 C ATOM 897 C THR A 63 -2.311 1.209 5.900 1.00 0.00 C ATOM 898 O THR A 63 -3.373 1.081 6.510 1.00 0.00 O ATOM 899 CB THR A 63 -0.953 1.185 7.993 1.00 0.00 C ATOM 900 OG1 THR A 63 0.245 1.653 8.622 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.935 -0.334 7.923 1.00 0.00 C ATOM 0 H THR A 63 -1.561 3.619 7.504 1.00 0.00 H new ATOM 0 HA THR A 63 -0.194 1.550 6.005 1.00 0.00 H new ATOM 0 HB THR A 63 -1.817 1.496 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.319 1.261 9.517 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.843 -0.744 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.861 -0.688 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.088 -0.660 7.319 1.00 0.00 H new ATOM 909 N LEU A 64 -2.160 0.854 4.629 1.00 0.00 N ATOM 910 CA LEU A 64 -3.258 0.278 3.860 1.00 0.00 C ATOM 911 C LEU A 64 -3.491 -1.178 4.249 1.00 0.00 C ATOM 912 O LEU A 64 -2.543 -1.944 4.417 1.00 0.00 O ATOM 913 CB LEU A 64 -2.964 0.377 2.362 1.00 0.00 C ATOM 914 CG LEU A 64 -3.873 -0.441 1.444 1.00 0.00 C ATOM 915 CD1 LEU A 64 -5.084 0.378 1.025 1.00 0.00 C ATOM 916 CD2 LEU A 64 -3.104 -0.923 0.223 1.00 0.00 C ATOM 0 H LEU A 64 -1.288 0.955 4.109 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.162 0.844 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.031 1.424 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.934 0.064 2.193 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.223 -1.314 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.720 -0.220 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.648 0.672 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.754 1.270 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.767 -1.503 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.724 -0.064 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.269 -1.547 0.542 1.00 0.00 H new ATOM 928 N GLN A 65 -4.759 -1.552 4.388 1.00 0.00 N ATOM 929 CA GLN A 65 -5.116 -2.917 4.756 1.00 0.00 C ATOM 930 C GLN A 65 -6.228 -3.449 3.859 1.00 0.00 C ATOM 931 O GLN A 65 -7.181 -2.735 3.545 1.00 0.00 O ATOM 932 CB GLN A 65 -5.553 -2.976 6.221 1.00 0.00 C ATOM 933 CG GLN A 65 -6.054 -4.344 6.652 1.00 0.00 C ATOM 934 CD GLN A 65 -6.404 -4.400 8.126 1.00 0.00 C ATOM 935 OE1 GLN A 65 -5.818 -3.688 8.942 1.00 0.00 O ATOM 936 NE2 GLN A 65 -7.364 -5.249 8.475 1.00 0.00 N ATOM 0 H GLN A 65 -5.555 -0.930 4.251 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.235 -3.545 4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.713 -2.690 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.341 -2.241 6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.933 -4.607 6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.291 -5.091 6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.823 -5.820 7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.642 -5.330 9.453 1.00 0.00 H new ATOM 945 N ILE A 66 -6.101 -4.707 3.450 1.00 0.00 N ATOM 946 CA ILE A 66 -7.097 -5.335 2.590 1.00 0.00 C ATOM 947 C ILE A 66 -7.476 -6.719 3.106 1.00 0.00 C ATOM 948 O ILE A 66 -6.617 -7.581 3.291 1.00 0.00 O ATOM 949 CB ILE A 66 -6.590 -5.461 1.141 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.858 -4.184 0.721 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.748 -5.749 0.198 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.001 -4.358 -0.513 1.00 0.00 C ATOM 0 H ILE A 66 -5.318 -5.311 3.700 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.977 -4.691 2.604 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.888 -6.294 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.591 -3.398 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.230 -3.847 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.374 -5.835 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.230 -6.683 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.472 -4.936 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.512 -3.414 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.245 -5.121 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.627 -4.665 -1.351 1.00 0.00 H new ATOM 964 N LYS A 67 -8.768 -6.925 3.336 1.00 0.00 N ATOM 965 CA LYS A 67 -9.263 -8.205 3.828 1.00 0.00 C ATOM 966 C LYS A 67 -9.958 -8.984 2.715 1.00 0.00 C ATOM 967 O LYS A 67 -10.335 -8.417 1.690 1.00 0.00 O ATOM 968 CB LYS A 67 -10.232 -7.987 4.993 1.00 0.00 C ATOM 969 CG LYS A 67 -9.591 -7.323 6.200 1.00 0.00 C ATOM 970 CD LYS A 67 -10.333 -7.663 7.482 1.00 0.00 C ATOM 971 CE LYS A 67 -9.775 -8.919 8.133 1.00 0.00 C ATOM 972 NZ LYS A 67 -10.554 -9.312 9.339 1.00 0.00 N ATOM 0 H LYS A 67 -9.492 -6.221 3.189 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.409 -8.786 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.066 -7.374 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.646 -8.949 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.552 -7.643 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.581 -6.242 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.260 -6.828 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.392 -7.804 7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.785 -9.737 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.734 -8.752 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.142 -10.172 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.524 -8.542 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.541 -9.496 9.070 1.00 0.00 H new ATOM 986 N ASN A 68 -10.124 -10.285 2.925 1.00 0.00 N ATOM 987 CA ASN A 68 -10.774 -11.142 1.940 1.00 0.00 C ATOM 988 C ASN A 68 -10.046 -11.079 0.600 1.00 0.00 C ATOM 989 O ASN A 68 -10.672 -10.972 -0.455 1.00 0.00 O ATOM 990 CB ASN A 68 -12.236 -10.727 1.758 1.00 0.00 C ATOM 991 CG ASN A 68 -13.103 -11.869 1.266 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.724 -11.780 0.206 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.151 -12.950 2.035 1.00 0.00 N ATOM 0 H ASN A 68 -9.817 -10.770 3.769 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.737 -12.168 2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.627 -10.360 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.291 -9.901 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.719 -13.750 1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.620 -12.981 2.905 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.720 -11.148 0.650 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.906 -11.100 -0.559 1.00 0.00 C ATOM 1002 C LEU A 69 -8.433 -12.071 -1.610 1.00 0.00 C ATOM 1003 O LEU A 69 -9.239 -12.952 -1.307 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.449 -11.430 -0.230 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.751 -10.484 0.749 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.502 -11.135 1.322 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.404 -9.170 0.065 1.00 0.00 C ATOM 0 H LEU A 69 -8.186 -11.237 1.515 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.962 -10.090 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.410 -12.439 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.881 -11.442 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.435 -10.273 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.019 -10.447 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.777 -12.049 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.813 -11.376 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.908 -8.509 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.738 -9.362 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.317 -8.695 -0.296 1.00 0.00 H new ATOM 1019 N ARG A 70 -7.973 -11.906 -2.846 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.398 -12.768 -3.941 1.00 0.00 C ATOM 1021 C ARG A 70 -7.367 -12.766 -5.067 1.00 0.00 C ATOM 1022 O ARG A 70 -6.813 -11.722 -5.411 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.756 -12.314 -4.479 1.00 0.00 C ATOM 1024 CG ARG A 70 -9.704 -10.993 -5.228 1.00 0.00 C ATOM 1025 CD ARG A 70 -11.074 -10.337 -5.296 1.00 0.00 C ATOM 1026 NE ARG A 70 -10.986 -8.920 -5.640 1.00 0.00 N ATOM 1027 CZ ARG A 70 -12.031 -8.186 -6.005 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -13.237 -8.732 -6.073 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -11.870 -6.903 -6.302 1.00 0.00 N ATOM 0 H ARG A 70 -7.306 -11.183 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.488 -13.784 -3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.150 -13.083 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.455 -12.223 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.002 -10.321 -4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.329 -11.160 -6.238 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.686 -10.852 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.576 -10.446 -4.335 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.072 -8.470 -5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.364 -9.718 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.038 -8.166 -6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.943 -6.480 -6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.673 -6.340 -6.582 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.115 -13.941 -5.634 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.152 -14.074 -6.720 1.00 0.00 C ATOM 1045 C ILE A 71 -6.180 -12.852 -7.632 1.00 0.00 C ATOM 1046 O ILE A 71 -5.160 -12.466 -8.201 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.422 -15.335 -7.561 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.305 -16.589 -6.692 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.457 -15.405 -8.735 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -4.889 -16.887 -6.250 1.00 0.00 C ATOM 0 H ILE A 71 -7.564 -14.814 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.167 -14.159 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.437 -15.282 -7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.935 -16.471 -5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.691 -17.444 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.660 -16.302 -9.320 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.585 -14.524 -9.364 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.433 -15.439 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.881 -17.789 -5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.258 -17.038 -7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.506 -16.049 -5.667 1.00 0.00 H new ATOM 1062 N SER A 72 -7.356 -12.247 -7.765 1.00 0.00 N ATOM 1063 CA SER A 72 -7.519 -11.069 -8.610 1.00 0.00 C ATOM 1064 C SER A 72 -6.794 -9.868 -8.012 1.00 0.00 C ATOM 1065 O SER A 72 -6.075 -9.152 -8.710 1.00 0.00 O ATOM 1066 CB SER A 72 -9.003 -10.746 -8.790 1.00 0.00 C ATOM 1067 OG SER A 72 -9.228 -10.038 -9.997 1.00 0.00 O ATOM 0 H SER A 72 -8.210 -12.553 -7.299 1.00 0.00 H new ATOM 0 HA SER A 72 -7.082 -11.287 -9.584 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.582 -11.670 -8.793 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.354 -10.153 -7.946 1.00 0.00 H new ATOM 0 HG SER A 72 -10.184 -9.845 -10.090 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.988 -9.652 -6.716 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.353 -8.538 -6.022 1.00 0.00 C ATOM 1075 C ASP A 73 -4.896 -8.391 -6.450 1.00 0.00 C ATOM 1076 O ASP A 73 -4.379 -7.279 -6.559 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.435 -8.739 -4.508 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.733 -8.218 -3.924 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.437 -7.460 -4.624 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -8.045 -8.568 -2.767 1.00 0.00 O ATOM 0 H ASP A 73 -7.581 -10.234 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.885 -7.625 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.337 -9.800 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.596 -8.232 -4.031 1.00 0.00 H new ATOM 1085 N THR A 74 -4.239 -9.521 -6.691 1.00 0.00 N ATOM 1086 CA THR A 74 -2.841 -9.518 -7.105 1.00 0.00 C ATOM 1087 C THR A 74 -2.548 -8.355 -8.046 1.00 0.00 C ATOM 1088 O THR A 74 -2.869 -8.408 -9.232 1.00 0.00 O ATOM 1089 CB THR A 74 -2.460 -10.837 -7.803 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.690 -11.942 -6.923 1.00 0.00 O ATOM 1091 CG2 THR A 74 -1.000 -10.819 -8.232 1.00 0.00 C ATOM 0 H THR A 74 -4.652 -10.450 -6.607 1.00 0.00 H new ATOM 0 HA THR A 74 -2.244 -9.408 -6.200 1.00 0.00 H new ATOM 0 HB THR A 74 -3.083 -10.946 -8.691 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.549 -12.361 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.753 -11.761 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.835 -9.994 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.365 -10.689 -7.356 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.937 -7.304 -7.508 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.611 -6.142 -8.314 1.00 0.00 C ATOM 1101 C GLY A 75 -0.374 -5.420 -7.818 1.00 0.00 C ATOM 1102 O GLY A 75 0.286 -5.874 -6.881 1.00 0.00 O ATOM 0 H GLY A 75 -1.662 -7.237 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.457 -6.452 -9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.456 -5.453 -8.311 1.00 0.00 H new ATOM 1106 N THR A 76 -0.055 -4.293 -8.447 1.00 0.00 N ATOM 1107 CA THR A 76 1.113 -3.509 -8.066 1.00 0.00 C ATOM 1108 C THR A 76 0.702 -2.177 -7.449 1.00 0.00 C ATOM 1109 O THR A 76 0.284 -1.258 -8.153 1.00 0.00 O ATOM 1110 CB THR A 76 2.028 -3.241 -9.275 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.498 -4.480 -9.818 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.214 -2.376 -8.875 1.00 0.00 C ATOM 0 H THR A 76 -0.590 -3.903 -9.223 1.00 0.00 H new ATOM 0 HA THR A 76 1.661 -4.095 -7.328 1.00 0.00 H new ATOM 0 HB THR A 76 1.448 -2.710 -10.030 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.078 -4.301 -10.588 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.846 -2.200 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.855 -1.422 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.792 -2.885 -8.104 1.00 0.00 H new ATOM 1120 N TYR A 77 0.826 -2.078 -6.130 1.00 0.00 N ATOM 1121 CA TYR A 77 0.466 -0.858 -5.417 1.00 0.00 C ATOM 1122 C TYR A 77 1.644 0.110 -5.366 1.00 0.00 C ATOM 1123 O TYR A 77 2.796 -0.301 -5.223 1.00 0.00 O ATOM 1124 CB TYR A 77 0.002 -1.189 -3.998 1.00 0.00 C ATOM 1125 CG TYR A 77 0.655 -2.425 -3.420 1.00 0.00 C ATOM 1126 CD1 TYR A 77 1.989 -2.414 -3.035 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.064 -3.603 -3.259 1.00 0.00 C ATOM 1128 CE1 TYR A 77 2.590 -3.541 -2.508 1.00 0.00 C ATOM 1129 CE2 TYR A 77 0.527 -4.734 -2.731 1.00 0.00 C ATOM 1130 CZ TYR A 77 1.855 -4.698 -2.357 1.00 0.00 C ATOM 1131 OH TYR A 77 2.449 -5.822 -1.831 1.00 0.00 O ATOM 0 H TYR A 77 1.173 -2.828 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.351 -0.380 -5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.213 -0.339 -3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.079 -1.327 -4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.567 -1.509 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.103 -3.635 -3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.629 -3.516 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.047 -5.641 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 77 2.000 -6.069 -0.996 1.00 0.00 H new ATOM 1141 N THR A 78 1.346 1.401 -5.484 1.00 0.00 N ATOM 1142 CA THR A 78 2.378 2.429 -5.452 1.00 0.00 C ATOM 1143 C THR A 78 2.070 3.484 -4.396 1.00 0.00 C ATOM 1144 O THR A 78 1.110 4.244 -4.524 1.00 0.00 O ATOM 1145 CB THR A 78 2.528 3.118 -6.822 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.958 2.169 -7.803 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.525 4.264 -6.745 1.00 0.00 C ATOM 0 H THR A 78 0.398 1.759 -5.603 1.00 0.00 H new ATOM 0 HA THR A 78 3.314 1.930 -5.201 1.00 0.00 H new ATOM 0 HB THR A 78 1.557 3.521 -7.109 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.049 2.614 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.614 4.735 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.179 4.999 -6.019 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.498 3.880 -6.437 1.00 0.00 H new ATOM 1155 N CYS A 79 2.891 3.527 -3.352 1.00 0.00 N ATOM 1156 CA CYS A 79 2.707 4.490 -2.273 1.00 0.00 C ATOM 1157 C CYS A 79 3.352 5.828 -2.622 1.00 0.00 C ATOM 1158 O CYS A 79 4.564 5.999 -2.489 1.00 0.00 O ATOM 1159 CB CYS A 79 3.302 3.948 -0.971 1.00 0.00 C ATOM 1160 SG CYS A 79 2.858 4.914 0.508 1.00 0.00 S ATOM 0 H CYS A 79 3.691 2.906 -3.230 1.00 0.00 H new ATOM 0 HA CYS A 79 1.637 4.647 -2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.970 2.919 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.388 3.923 -1.063 1.00 0.00 H new ATOM 1165 N VAL A 80 2.533 6.775 -3.069 1.00 0.00 N ATOM 1166 CA VAL A 80 3.022 8.098 -3.436 1.00 0.00 C ATOM 1167 C VAL A 80 2.633 9.137 -2.390 1.00 0.00 C ATOM 1168 O VAL A 80 1.508 9.138 -1.890 1.00 0.00 O ATOM 1169 CB VAL A 80 2.478 8.537 -4.808 1.00 0.00 C ATOM 1170 CG1 VAL A 80 1.025 8.115 -4.966 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.627 10.041 -4.983 1.00 0.00 C ATOM 0 H VAL A 80 1.527 6.650 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 80 4.109 8.030 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 80 3.061 8.044 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.658 8.434 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.950 7.030 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.424 8.578 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.238 10.334 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.070 10.555 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.681 10.312 -4.917 1.00 0.00 H new ATOM 1181 N ALA A 81 3.570 10.022 -2.065 1.00 0.00 N ATOM 1182 CA ALA A 81 3.324 11.068 -1.081 1.00 0.00 C ATOM 1183 C ALA A 81 3.583 12.450 -1.673 1.00 0.00 C ATOM 1184 O ALA A 81 4.714 12.939 -1.665 1.00 0.00 O ATOM 1185 CB ALA A 81 4.190 10.849 0.150 1.00 0.00 C ATOM 0 H ALA A 81 4.506 10.035 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 81 2.275 11.017 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.996 11.638 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.954 9.881 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.241 10.870 -0.136 1.00 0.00 H new ATOM 1191 N THR A 82 2.529 13.076 -2.187 1.00 0.00 N ATOM 1192 CA THR A 82 2.643 14.400 -2.784 1.00 0.00 C ATOM 1193 C THR A 82 2.603 15.490 -1.718 1.00 0.00 C ATOM 1194 O THR A 82 2.042 15.296 -0.640 1.00 0.00 O ATOM 1195 CB THR A 82 1.517 14.655 -3.804 1.00 0.00 C ATOM 1196 OG1 THR A 82 1.342 13.504 -4.638 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.832 15.869 -4.666 1.00 0.00 C ATOM 0 H THR A 82 1.586 12.687 -2.202 1.00 0.00 H new ATOM 0 HA THR A 82 3.604 14.433 -3.298 1.00 0.00 H new ATOM 0 HB THR A 82 0.596 14.849 -3.254 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.623 13.673 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.023 16.029 -5.378 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.936 16.749 -4.031 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.763 15.700 -5.207 1.00 0.00 H new ATOM 1205 N SER A 83 3.202 16.635 -2.028 1.00 0.00 N ATOM 1206 CA SER A 83 3.237 17.755 -1.094 1.00 0.00 C ATOM 1207 C SER A 83 3.730 19.023 -1.785 1.00 0.00 C ATOM 1208 O SER A 83 4.545 18.964 -2.706 1.00 0.00 O ATOM 1209 CB SER A 83 4.140 17.426 0.096 1.00 0.00 C ATOM 1210 OG SER A 83 5.497 17.341 -0.301 1.00 0.00 O ATOM 0 H SER A 83 3.669 16.812 -2.917 1.00 0.00 H new ATOM 0 HA SER A 83 2.223 17.928 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.030 18.193 0.863 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.829 16.482 0.542 1.00 0.00 H new ATOM 0 HG SER A 83 6.053 17.131 0.478 1.00 0.00 H new ATOM 1216 N SER A 84 3.230 20.169 -1.333 1.00 0.00 N ATOM 1217 CA SER A 84 3.616 21.451 -1.909 1.00 0.00 C ATOM 1218 C SER A 84 5.111 21.482 -2.214 1.00 0.00 C ATOM 1219 O SER A 84 5.538 22.047 -3.221 1.00 0.00 O ATOM 1220 CB SER A 84 3.254 22.592 -0.956 1.00 0.00 C ATOM 1221 OG SER A 84 3.889 23.799 -1.342 1.00 0.00 O ATOM 0 H SER A 84 2.557 20.235 -0.570 1.00 0.00 H new ATOM 0 HA SER A 84 3.070 21.581 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.173 22.733 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.551 22.330 0.060 1.00 0.00 H new ATOM 0 HG SER A 84 3.641 24.513 -0.719 1.00 0.00 H new ATOM 1227 N SER A 85 5.900 20.872 -1.337 1.00 0.00 N ATOM 1228 CA SER A 85 7.348 20.832 -1.508 1.00 0.00 C ATOM 1229 C SER A 85 7.725 20.038 -2.755 1.00 0.00 C ATOM 1230 O SER A 85 8.214 20.597 -3.736 1.00 0.00 O ATOM 1231 CB SER A 85 8.012 20.215 -0.276 1.00 0.00 C ATOM 1232 OG SER A 85 7.626 20.894 0.906 1.00 0.00 O ATOM 0 H SER A 85 5.561 20.398 -0.500 1.00 0.00 H new ATOM 0 HA SER A 85 7.704 21.855 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.738 19.163 -0.200 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.096 20.255 -0.385 1.00 0.00 H new ATOM 0 HG SER A 85 7.262 20.250 1.549 1.00 0.00 H new ATOM 1238 N GLY A 86 7.493 18.730 -2.709 1.00 0.00 N ATOM 1239 CA GLY A 86 7.815 17.879 -3.840 1.00 0.00 C ATOM 1240 C GLY A 86 6.856 16.713 -3.979 1.00 0.00 C ATOM 1241 O GLY A 86 5.662 16.849 -3.715 1.00 0.00 O ATOM 0 H GLY A 86 7.088 18.244 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.796 18.472 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.830 17.499 -3.728 1.00 0.00 H new ATOM 1245 N GLU A 87 7.379 15.565 -4.398 1.00 0.00 N ATOM 1246 CA GLU A 87 6.559 14.372 -4.575 1.00 0.00 C ATOM 1247 C GLU A 87 7.432 13.135 -4.763 1.00 0.00 C ATOM 1248 O GLU A 87 8.520 13.209 -5.336 1.00 0.00 O ATOM 1249 CB GLU A 87 5.627 14.540 -5.776 1.00 0.00 C ATOM 1250 CG GLU A 87 4.923 13.257 -6.185 1.00 0.00 C ATOM 1251 CD GLU A 87 5.720 12.450 -7.191 1.00 0.00 C ATOM 1252 OE1 GLU A 87 6.509 13.054 -7.947 1.00 0.00 O ATOM 1253 OE2 GLU A 87 5.555 11.212 -7.222 1.00 0.00 O ATOM 0 H GLU A 87 8.366 15.436 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 87 5.959 14.238 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.878 15.296 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.203 14.914 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.741 12.649 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.949 13.501 -6.610 1.00 0.00 H new ATOM 1260 N THR A 88 6.948 11.996 -4.276 1.00 0.00 N ATOM 1261 CA THR A 88 7.684 10.743 -4.389 1.00 0.00 C ATOM 1262 C THR A 88 6.734 9.557 -4.503 1.00 0.00 C ATOM 1263 O THR A 88 5.634 9.574 -3.951 1.00 0.00 O ATOM 1264 CB THR A 88 8.613 10.527 -3.180 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.502 9.434 -3.435 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.808 10.249 -1.920 1.00 0.00 C ATOM 0 H THR A 88 6.050 11.916 -3.800 1.00 0.00 H new ATOM 0 HA THR A 88 8.287 10.811 -5.294 1.00 0.00 H new ATOM 0 HB THR A 88 9.192 11.438 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.091 9.304 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.487 10.100 -1.080 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.154 11.096 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.206 9.352 -2.064 1.00 0.00 H new ATOM 1274 N SER A 89 7.165 8.526 -5.223 1.00 0.00 N ATOM 1275 CA SER A 89 6.351 7.331 -5.412 1.00 0.00 C ATOM 1276 C SER A 89 7.190 6.069 -5.239 1.00 0.00 C ATOM 1277 O SER A 89 8.349 6.019 -5.651 1.00 0.00 O ATOM 1278 CB SER A 89 5.707 7.342 -6.800 1.00 0.00 C ATOM 1279 OG SER A 89 6.691 7.376 -7.819 1.00 0.00 O ATOM 0 H SER A 89 8.074 8.494 -5.685 1.00 0.00 H new ATOM 0 HA SER A 89 5.567 7.332 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.083 6.456 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.052 8.208 -6.894 1.00 0.00 H new ATOM 0 HG SER A 89 6.254 7.381 -8.696 1.00 0.00 H new ATOM 1285 N TRP A 90 6.596 5.051 -4.626 1.00 0.00 N ATOM 1286 CA TRP A 90 7.288 3.788 -4.397 1.00 0.00 C ATOM 1287 C TRP A 90 6.743 2.695 -5.310 1.00 0.00 C ATOM 1288 O TRP A 90 5.719 2.878 -5.968 1.00 0.00 O ATOM 1289 CB TRP A 90 7.148 3.364 -2.934 1.00 0.00 C ATOM 1290 CG TRP A 90 8.245 2.453 -2.472 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.243 1.088 -2.502 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.502 2.842 -1.909 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.424 0.605 -1.992 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.214 1.661 -1.622 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.098 4.074 -1.623 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.488 1.677 -1.061 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.362 4.088 -1.066 1.00 0.00 C ATOM 1298 CH2 TRP A 90 12.047 2.897 -0.791 1.00 0.00 C ATOM 0 H TRP A 90 5.637 5.076 -4.279 1.00 0.00 H new ATOM 0 HA TRP A 90 8.344 3.934 -4.626 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.135 4.254 -2.305 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.189 2.864 -2.798 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.432 0.478 -2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.672 -0.380 -1.903 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.580 4.998 -1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.016 0.760 -0.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.831 5.034 -0.838 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.035 2.942 -0.358 1.00 0.00 H new ATOM 1309 N SER A 91 7.433 1.560 -5.345 1.00 0.00 N ATOM 1310 CA SER A 91 7.020 0.439 -6.181 1.00 0.00 C ATOM 1311 C SER A 91 6.966 -0.852 -5.371 1.00 0.00 C ATOM 1312 O SER A 91 7.766 -1.058 -4.458 1.00 0.00 O ATOM 1313 CB SER A 91 7.979 0.275 -7.362 1.00 0.00 C ATOM 1314 OG SER A 91 8.021 1.450 -8.152 1.00 0.00 O ATOM 0 H SER A 91 8.281 1.392 -4.804 1.00 0.00 H new ATOM 0 HA SER A 91 6.021 0.650 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.979 0.045 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.664 -0.569 -7.976 1.00 0.00 H new ATOM 0 HG SER A 91 8.642 1.320 -8.899 1.00 0.00 H new ATOM 1320 N ALA A 92 6.018 -1.719 -5.712 1.00 0.00 N ATOM 1321 CA ALA A 92 5.861 -2.991 -5.018 1.00 0.00 C ATOM 1322 C ALA A 92 4.791 -3.850 -5.683 1.00 0.00 C ATOM 1323 O ALA A 92 4.081 -3.392 -6.579 1.00 0.00 O ATOM 1324 CB ALA A 92 5.518 -2.755 -3.555 1.00 0.00 C ATOM 0 H ALA A 92 5.347 -1.563 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 92 6.808 -3.528 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.404 -3.714 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.319 -2.187 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.586 -2.195 -3.486 1.00 0.00 H new ATOM 1330 N VAL A 93 4.679 -5.098 -5.238 1.00 0.00 N ATOM 1331 CA VAL A 93 3.695 -6.021 -5.790 1.00 0.00 C ATOM 1332 C VAL A 93 3.326 -7.100 -4.779 1.00 0.00 C ATOM 1333 O VAL A 93 4.173 -7.565 -4.014 1.00 0.00 O ATOM 1334 CB VAL A 93 4.214 -6.692 -7.075 1.00 0.00 C ATOM 1335 CG1 VAL A 93 5.499 -7.457 -6.797 1.00 0.00 C ATOM 1336 CG2 VAL A 93 3.153 -7.612 -7.661 1.00 0.00 C ATOM 0 H VAL A 93 5.258 -5.493 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 93 2.809 -5.433 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 93 4.433 -5.915 -7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.850 -7.924 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.259 -6.769 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.310 -8.226 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.537 -8.078 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.901 -8.385 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.261 -7.033 -7.900 1.00 0.00 H new ATOM 1346 N LEU A 94 2.058 -7.496 -4.780 1.00 0.00 N ATOM 1347 CA LEU A 94 1.576 -8.523 -3.863 1.00 0.00 C ATOM 1348 C LEU A 94 1.125 -9.765 -4.624 1.00 0.00 C ATOM 1349 O LEU A 94 0.169 -9.717 -5.399 1.00 0.00 O ATOM 1350 CB LEU A 94 0.422 -7.980 -3.019 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.498 -9.026 -2.388 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.139 -9.611 -1.138 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.854 -8.416 -2.062 1.00 0.00 C ATOM 0 H LEU A 94 1.345 -7.121 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 94 2.399 -8.802 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.839 -7.364 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.183 -7.324 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.648 -9.832 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.530 -10.353 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.086 -10.084 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.318 -8.816 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.496 -9.174 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.723 -7.591 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.315 -8.045 -2.977 1.00 0.00 H new ATOM 1365 N ASP A 95 1.816 -10.876 -4.396 1.00 0.00 N ATOM 1366 CA ASP A 95 1.485 -12.133 -5.058 1.00 0.00 C ATOM 1367 C ASP A 95 0.555 -12.975 -4.190 1.00 0.00 C ATOM 1368 O ASP A 95 0.976 -13.548 -3.186 1.00 0.00 O ATOM 1369 CB ASP A 95 2.758 -12.918 -5.375 1.00 0.00 C ATOM 1370 CG ASP A 95 3.320 -12.584 -6.743 1.00 0.00 C ATOM 1371 OD1 ASP A 95 3.936 -11.506 -6.884 1.00 0.00 O ATOM 1372 OD2 ASP A 95 3.144 -13.399 -7.672 1.00 0.00 O ATOM 0 H ASP A 95 2.609 -10.932 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 95 0.971 -11.900 -5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.510 -12.706 -4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.545 -13.986 -5.324 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.713 -13.045 -4.585 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.702 -13.817 -3.843 1.00 0.00 C ATOM 1379 C VAL A 96 -1.809 -15.238 -4.385 1.00 0.00 C ATOM 1380 O VAL A 96 -2.160 -15.447 -5.547 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.090 -13.152 -3.900 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.148 -14.071 -3.307 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.069 -11.813 -3.177 1.00 0.00 C ATOM 0 H VAL A 96 -1.079 -12.577 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.365 -13.851 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.344 -12.971 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.122 -13.584 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.179 -15.002 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.902 -14.286 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.058 -11.357 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.793 -11.967 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.341 -11.155 -3.652 1.00 0.00 H new ATOM 1393 N THR A 97 -1.505 -16.214 -3.535 1.00 0.00 N ATOM 1394 CA THR A 97 -1.566 -17.616 -3.928 1.00 0.00 C ATOM 1395 C THR A 97 -2.699 -18.340 -3.209 1.00 0.00 C ATOM 1396 O THR A 97 -3.354 -17.772 -2.335 1.00 0.00 O ATOM 1397 CB THR A 97 -0.240 -18.341 -3.632 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.108 -18.183 -2.252 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.880 -17.798 -4.508 1.00 0.00 C ATOM 0 H THR A 97 -1.214 -16.059 -2.570 1.00 0.00 H new ATOM 0 HA THR A 97 -1.750 -17.635 -5.002 1.00 0.00 H new ATOM 0 HB THR A 97 -0.373 -19.400 -3.853 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.074 -18.037 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.807 -18.325 -4.282 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.625 -17.946 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.011 -16.734 -4.313 1.00 0.00 H new ATOM 1407 N GLU A 98 -2.923 -19.596 -3.582 1.00 0.00 N ATOM 1408 CA GLU A 98 -3.978 -20.397 -2.971 1.00 0.00 C ATOM 1409 C GLU A 98 -3.437 -21.200 -1.791 1.00 0.00 C ATOM 1410 O GLU A 98 -4.176 -21.539 -0.867 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.596 -21.340 -4.004 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.241 -20.620 -5.177 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.096 -21.540 -6.027 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -5.532 -22.245 -6.889 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.329 -21.554 -5.830 1.00 0.00 O ATOM 0 H GLU A 98 -2.389 -20.081 -4.303 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.748 -19.718 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.823 -22.010 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.345 -21.962 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.856 -19.802 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.463 -20.176 -5.798 1.00 0.00 H new ATOM 1422 N SER A 99 -2.143 -21.502 -1.832 1.00 0.00 N ATOM 1423 CA SER A 99 -1.503 -22.269 -0.770 1.00 0.00 C ATOM 1424 C SER A 99 -0.286 -21.530 -0.223 1.00 0.00 C ATOM 1425 O SER A 99 0.650 -22.144 0.287 1.00 0.00 O ATOM 1426 CB SER A 99 -1.087 -23.647 -1.288 1.00 0.00 C ATOM 1427 OG SER A 99 -0.662 -24.484 -0.226 1.00 0.00 O ATOM 0 H SER A 99 -1.517 -21.227 -2.589 1.00 0.00 H new ATOM 0 HA SER A 99 -2.223 -22.394 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.925 -24.111 -1.808 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.281 -23.538 -2.014 1.00 0.00 H new ATOM 0 HG SER A 99 -0.057 -23.985 0.362 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.307 -20.205 -0.334 1.00 0.00 N ATOM 1434 CA GLY A 100 0.800 -19.402 0.152 1.00 0.00 C ATOM 1435 C GLY A 100 1.310 -19.874 1.499 1.00 0.00 C ATOM 1436 O GLY A 100 2.515 -19.866 1.752 1.00 0.00 O ATOM 0 H GLY A 100 -1.071 -19.674 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.614 -19.434 -0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.484 -18.362 0.231 1.00 0.00 H new TER 1440 GLY A 100