USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.2 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -4.68 K(o=-4.7,f=-5.8!) USER MOD Single : A 15 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.4) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00867 X(o=-0.0087,f=-0.16) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -10.6! C(o=-11!,f=-20!) USER MOD Single : A 34 GLN : amide:sc= -0.062 K(o=-0.062,f=-1.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 174:sc= 0 (180deg=-0.0446) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.000599 X(o=-0.0006,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.135 -14.827 -20.214 1.00 0.00 N ATOM 2 CA GLY A 1 44.402 -15.081 -19.550 1.00 0.00 C ATOM 3 C GLY A 1 44.791 -16.556 -19.657 1.00 0.00 C ATOM 4 O GLY A 1 44.204 -17.302 -20.439 1.00 0.00 O ATOM 0 H1 GLY A 1 43.196 -13.938 -20.750 1.00 0.00 H new ATOM 0 H2 GLY A 1 42.921 -15.610 -20.865 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.380 -14.751 -19.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 45.181 -14.463 -19.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.330 -14.795 -18.501 1.00 0.00 H new ATOM 8 N SER A 2 45.780 -16.934 -18.859 1.00 0.00 N ATOM 9 CA SER A 2 46.255 -18.307 -18.854 1.00 0.00 C ATOM 10 C SER A 2 45.438 -19.140 -17.863 1.00 0.00 C ATOM 11 O SER A 2 45.367 -18.809 -16.681 1.00 0.00 O ATOM 12 CB SER A 2 47.743 -18.374 -18.504 1.00 0.00 C ATOM 13 OG SER A 2 48.033 -17.712 -17.277 1.00 0.00 O ATOM 0 H SER A 2 46.265 -16.313 -18.212 1.00 0.00 H new ATOM 0 HA SER A 2 46.127 -18.717 -19.856 1.00 0.00 H new ATOM 0 HB2 SER A 2 48.053 -19.417 -18.435 1.00 0.00 H new ATOM 0 HB3 SER A 2 48.325 -17.921 -19.307 1.00 0.00 H new ATOM 0 HG SER A 2 47.264 -17.788 -16.675 1.00 0.00 H new ATOM 19 N SER A 3 44.843 -20.203 -18.383 1.00 0.00 N ATOM 20 CA SER A 3 44.034 -21.085 -17.558 1.00 0.00 C ATOM 21 C SER A 3 44.538 -22.524 -17.682 1.00 0.00 C ATOM 22 O SER A 3 43.748 -23.467 -17.658 1.00 0.00 O ATOM 23 CB SER A 3 42.557 -21.005 -17.950 1.00 0.00 C ATOM 24 OG SER A 3 42.315 -21.563 -19.238 1.00 0.00 O ATOM 0 H SER A 3 44.905 -20.474 -19.364 1.00 0.00 H new ATOM 0 HA SER A 3 44.125 -20.762 -16.521 1.00 0.00 H new ATOM 0 HB2 SER A 3 41.956 -21.531 -17.208 1.00 0.00 H new ATOM 0 HB3 SER A 3 42.235 -19.964 -17.940 1.00 0.00 H new ATOM 0 HG SER A 3 41.361 -21.494 -19.450 1.00 0.00 H new ATOM 30 N GLY A 4 45.851 -22.649 -17.811 1.00 0.00 N ATOM 31 CA GLY A 4 46.470 -23.957 -17.938 1.00 0.00 C ATOM 32 C GLY A 4 47.093 -24.400 -16.613 1.00 0.00 C ATOM 33 O GLY A 4 48.292 -24.670 -16.546 1.00 0.00 O ATOM 0 H GLY A 4 46.503 -21.865 -17.830 1.00 0.00 H new ATOM 0 HA2 GLY A 4 45.725 -24.687 -18.255 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.237 -23.927 -18.712 1.00 0.00 H new ATOM 37 N SER A 5 46.252 -24.461 -15.591 1.00 0.00 N ATOM 38 CA SER A 5 46.706 -24.867 -14.271 1.00 0.00 C ATOM 39 C SER A 5 45.517 -24.950 -13.312 1.00 0.00 C ATOM 40 O SER A 5 44.418 -24.504 -13.639 1.00 0.00 O ATOM 41 CB SER A 5 47.758 -23.898 -13.729 1.00 0.00 C ATOM 42 OG SER A 5 47.195 -22.634 -13.386 1.00 0.00 O ATOM 0 H SER A 5 45.259 -24.236 -15.650 1.00 0.00 H new ATOM 0 HA SER A 5 47.167 -25.851 -14.355 1.00 0.00 H new ATOM 0 HB2 SER A 5 48.233 -24.334 -12.850 1.00 0.00 H new ATOM 0 HB3 SER A 5 48.539 -23.756 -14.476 1.00 0.00 H new ATOM 0 HG SER A 5 47.899 -22.045 -13.043 1.00 0.00 H new ATOM 48 N SER A 6 45.776 -25.525 -12.147 1.00 0.00 N ATOM 49 CA SER A 6 44.741 -25.672 -11.138 1.00 0.00 C ATOM 50 C SER A 6 44.359 -24.302 -10.576 1.00 0.00 C ATOM 51 O SER A 6 44.955 -23.836 -9.606 1.00 0.00 O ATOM 52 CB SER A 6 45.200 -26.599 -10.010 1.00 0.00 C ATOM 53 OG SER A 6 44.504 -27.843 -10.026 1.00 0.00 O ATOM 0 H SER A 6 46.688 -25.895 -11.879 1.00 0.00 H new ATOM 0 HA SER A 6 43.866 -26.121 -11.608 1.00 0.00 H new ATOM 0 HB2 SER A 6 46.271 -26.781 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 45.043 -26.108 -9.050 1.00 0.00 H new ATOM 0 HG SER A 6 44.826 -28.407 -9.292 1.00 0.00 H new ATOM 59 N GLY A 7 43.366 -23.694 -11.209 1.00 0.00 N ATOM 60 CA GLY A 7 42.897 -22.386 -10.785 1.00 0.00 C ATOM 61 C GLY A 7 41.774 -21.884 -11.695 1.00 0.00 C ATOM 62 O GLY A 7 40.643 -21.701 -11.247 1.00 0.00 O ATOM 0 H GLY A 7 42.873 -24.084 -12.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 42.540 -22.440 -9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 7 43.725 -21.677 -10.798 1.00 0.00 H new ATOM 66 N SER A 8 42.125 -21.676 -12.955 1.00 0.00 N ATOM 67 CA SER A 8 41.161 -21.199 -13.932 1.00 0.00 C ATOM 68 C SER A 8 40.675 -19.800 -13.547 1.00 0.00 C ATOM 69 O SER A 8 40.215 -19.585 -12.427 1.00 0.00 O ATOM 70 CB SER A 8 39.976 -22.159 -14.049 1.00 0.00 C ATOM 71 OG SER A 8 40.379 -23.455 -14.482 1.00 0.00 O ATOM 0 H SER A 8 43.064 -21.829 -13.322 1.00 0.00 H new ATOM 0 HA SER A 8 41.653 -21.151 -14.904 1.00 0.00 H new ATOM 0 HB2 SER A 8 39.477 -22.238 -13.083 1.00 0.00 H new ATOM 0 HB3 SER A 8 39.248 -21.752 -14.751 1.00 0.00 H new ATOM 0 HG SER A 8 39.594 -24.039 -14.542 1.00 0.00 H new ATOM 77 N ARG A 9 40.794 -18.885 -14.498 1.00 0.00 N ATOM 78 CA ARG A 9 40.372 -17.513 -14.273 1.00 0.00 C ATOM 79 C ARG A 9 38.845 -17.425 -14.242 1.00 0.00 C ATOM 80 O ARG A 9 38.161 -18.215 -14.891 1.00 0.00 O ATOM 81 CB ARG A 9 40.907 -16.586 -15.367 1.00 0.00 C ATOM 82 CG ARG A 9 40.938 -15.134 -14.888 1.00 0.00 C ATOM 83 CD ARG A 9 42.205 -14.424 -15.371 1.00 0.00 C ATOM 84 NE ARG A 9 42.808 -13.653 -14.261 1.00 0.00 N ATOM 85 CZ ARG A 9 43.437 -14.208 -13.216 1.00 0.00 C ATOM 86 NH1 ARG A 9 43.549 -15.541 -13.132 1.00 0.00 N ATOM 87 NH2 ARG A 9 43.954 -13.430 -12.255 1.00 0.00 N ATOM 0 H ARG A 9 41.177 -19.067 -15.426 1.00 0.00 H new ATOM 0 HA ARG A 9 40.777 -17.195 -13.312 1.00 0.00 H new ATOM 0 HB2 ARG A 9 41.910 -16.899 -15.655 1.00 0.00 H new ATOM 0 HB3 ARG A 9 40.280 -16.666 -16.255 1.00 0.00 H new ATOM 0 HG2 ARG A 9 40.058 -14.607 -15.257 1.00 0.00 H new ATOM 0 HG3 ARG A 9 40.893 -15.105 -13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 9 42.920 -15.155 -15.747 1.00 0.00 H new ATOM 0 HD3 ARG A 9 41.965 -13.757 -16.199 1.00 0.00 H new ATOM 0 HE ARG A 9 42.741 -12.636 -14.293 1.00 0.00 H new ATOM 0 HH11 ARG A 9 43.155 -16.133 -13.864 1.00 0.00 H new ATOM 0 HH12 ARG A 9 44.028 -15.963 -12.337 1.00 0.00 H new ATOM 0 HH21 ARG A 9 43.869 -12.416 -12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 9 44.433 -13.852 -11.459 1.00 0.00 H new ATOM 101 N GLN A 10 38.356 -16.458 -13.480 1.00 0.00 N ATOM 102 CA GLN A 10 36.922 -16.257 -13.356 1.00 0.00 C ATOM 103 C GLN A 10 36.201 -17.604 -13.284 1.00 0.00 C ATOM 104 O GLN A 10 36.787 -18.605 -12.875 1.00 0.00 O ATOM 105 CB GLN A 10 36.385 -15.408 -14.510 1.00 0.00 C ATOM 106 CG GLN A 10 36.411 -16.190 -15.824 1.00 0.00 C ATOM 107 CD GLN A 10 37.706 -15.924 -16.595 1.00 0.00 C ATOM 108 OE1 GLN A 10 38.262 -14.839 -16.569 1.00 0.00 O ATOM 109 NE2 GLN A 10 38.152 -16.972 -17.281 1.00 0.00 N ATOM 0 H GLN A 10 38.927 -15.805 -12.943 1.00 0.00 H new ATOM 0 HA GLN A 10 36.730 -15.715 -12.430 1.00 0.00 H new ATOM 0 HB2 GLN A 10 35.365 -15.093 -14.290 1.00 0.00 H new ATOM 0 HB3 GLN A 10 36.984 -14.503 -14.610 1.00 0.00 H new ATOM 0 HG2 GLN A 10 36.318 -17.256 -15.619 1.00 0.00 H new ATOM 0 HG3 GLN A 10 35.555 -15.908 -16.436 1.00 0.00 H new ATOM 0 HE21 GLN A 10 37.637 -17.852 -17.259 1.00 0.00 H new ATOM 0 HE22 GLN A 10 39.009 -16.896 -17.829 1.00 0.00 H new ATOM 118 N ALA A 11 34.940 -17.587 -13.690 1.00 0.00 N ATOM 119 CA ALA A 11 34.133 -18.795 -13.677 1.00 0.00 C ATOM 120 C ALA A 11 33.734 -19.152 -15.110 1.00 0.00 C ATOM 121 O ALA A 11 33.523 -18.267 -15.939 1.00 0.00 O ATOM 122 CB ALA A 11 32.919 -18.589 -12.769 1.00 0.00 C ATOM 0 H ALA A 11 34.457 -16.755 -14.030 1.00 0.00 H new ATOM 0 HA ALA A 11 34.703 -19.632 -13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 11 32.314 -19.495 -12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 11 33.256 -18.367 -11.756 1.00 0.00 H new ATOM 0 HB3 ALA A 11 32.322 -17.758 -13.143 1.00 0.00 H new ATOM 128 N PRO A 12 33.642 -20.485 -15.366 1.00 0.00 N ATOM 129 CA PRO A 12 33.272 -20.970 -16.685 1.00 0.00 C ATOM 130 C PRO A 12 31.775 -20.781 -16.939 1.00 0.00 C ATOM 131 O PRO A 12 31.029 -20.415 -16.033 1.00 0.00 O ATOM 132 CB PRO A 12 33.699 -22.429 -16.701 1.00 0.00 C ATOM 133 CG PRO A 12 33.864 -22.831 -15.245 1.00 0.00 C ATOM 134 CD PRO A 12 33.885 -21.561 -14.410 1.00 0.00 C ATOM 0 HA PRO A 12 33.759 -20.418 -17.489 1.00 0.00 H new ATOM 0 HB2 PRO A 12 32.951 -23.049 -17.195 1.00 0.00 H new ATOM 0 HB3 PRO A 12 34.632 -22.557 -17.250 1.00 0.00 H new ATOM 0 HG2 PRO A 12 33.045 -23.479 -14.933 1.00 0.00 H new ATOM 0 HG3 PRO A 12 34.787 -23.394 -15.107 1.00 0.00 H new ATOM 0 HD2 PRO A 12 33.118 -21.583 -13.636 1.00 0.00 H new ATOM 0 HD3 PRO A 12 34.843 -21.434 -13.906 1.00 0.00 H new ATOM 142 N ILE A 13 31.381 -21.041 -18.177 1.00 0.00 N ATOM 143 CA ILE A 13 29.986 -20.905 -18.562 1.00 0.00 C ATOM 144 C ILE A 13 29.146 -21.922 -17.788 1.00 0.00 C ATOM 145 O ILE A 13 29.235 -23.124 -18.036 1.00 0.00 O ATOM 146 CB ILE A 13 29.837 -21.013 -20.081 1.00 0.00 C ATOM 147 CG1 ILE A 13 30.486 -19.818 -20.782 1.00 0.00 C ATOM 148 CG2 ILE A 13 28.369 -21.181 -20.477 1.00 0.00 C ATOM 149 CD1 ILE A 13 31.850 -20.198 -21.363 1.00 0.00 C ATOM 0 H ILE A 13 32.003 -21.345 -18.926 1.00 0.00 H new ATOM 0 HA ILE A 13 29.612 -19.916 -18.297 1.00 0.00 H new ATOM 0 HB ILE A 13 30.365 -21.907 -20.413 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.834 -19.461 -21.579 1.00 0.00 H new ATOM 0 HG13 ILE A 13 30.604 -18.997 -20.075 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.291 -21.255 -21.562 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.971 -22.088 -20.022 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.798 -20.320 -20.130 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.290 -19.331 -21.856 1.00 0.00 H new ATOM 0 HD12 ILE A 13 32.507 -20.531 -20.560 1.00 0.00 H new ATOM 0 HD13 ILE A 13 31.725 -21.003 -22.088 1.00 0.00 H new ATOM 161 N ALA A 14 28.349 -21.404 -16.865 1.00 0.00 N ATOM 162 CA ALA A 14 27.494 -22.252 -16.052 1.00 0.00 C ATOM 163 C ALA A 14 26.513 -21.378 -15.268 1.00 0.00 C ATOM 164 O ALA A 14 26.873 -20.297 -14.804 1.00 0.00 O ATOM 165 CB ALA A 14 28.358 -23.123 -15.139 1.00 0.00 C ATOM 0 H ALA A 14 28.277 -20.407 -16.662 1.00 0.00 H new ATOM 0 HA ALA A 14 26.908 -22.922 -16.681 1.00 0.00 H new ATOM 0 HB1 ALA A 14 27.716 -23.759 -14.529 1.00 0.00 H new ATOM 0 HB2 ALA A 14 29.015 -23.746 -15.746 1.00 0.00 H new ATOM 0 HB3 ALA A 14 28.959 -22.486 -14.490 1.00 0.00 H new ATOM 171 N ASN A 15 25.293 -21.879 -15.144 1.00 0.00 N ATOM 172 CA ASN A 15 24.258 -21.157 -14.424 1.00 0.00 C ATOM 173 C ASN A 15 24.525 -21.255 -12.920 1.00 0.00 C ATOM 174 O ASN A 15 24.764 -22.343 -12.398 1.00 0.00 O ATOM 175 CB ASN A 15 22.877 -21.756 -14.698 1.00 0.00 C ATOM 176 CG ASN A 15 21.858 -20.660 -15.017 1.00 0.00 C ATOM 177 OD1 ASN A 15 21.924 -19.550 -14.515 1.00 0.00 O ATOM 178 ND2 ASN A 15 20.914 -21.032 -15.877 1.00 0.00 N ATOM 0 H ASN A 15 24.998 -22.776 -15.530 1.00 0.00 H new ATOM 0 HA ASN A 15 24.275 -20.120 -14.759 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.939 -22.454 -15.533 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.545 -22.325 -13.830 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.187 -20.372 -16.153 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.917 -21.977 -16.260 1.00 0.00 H new ATOM 185 N ALA A 16 24.477 -20.104 -12.267 1.00 0.00 N ATOM 186 CA ALA A 16 24.711 -20.046 -10.834 1.00 0.00 C ATOM 187 C ALA A 16 23.448 -19.539 -10.135 1.00 0.00 C ATOM 188 O ALA A 16 22.800 -18.609 -10.614 1.00 0.00 O ATOM 189 CB ALA A 16 25.929 -19.164 -10.550 1.00 0.00 C ATOM 0 H ALA A 16 24.279 -19.204 -12.704 1.00 0.00 H new ATOM 0 HA ALA A 16 24.929 -21.039 -10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 16 26.104 -19.121 -9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 16 26.805 -19.584 -11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.746 -18.158 -10.929 1.00 0.00 H new ATOM 195 N ALA A 17 23.136 -20.171 -9.013 1.00 0.00 N ATOM 196 CA ALA A 17 21.963 -19.795 -8.243 1.00 0.00 C ATOM 197 C ALA A 17 22.401 -19.284 -6.870 1.00 0.00 C ATOM 198 O ALA A 17 23.510 -19.572 -6.421 1.00 0.00 O ATOM 199 CB ALA A 17 21.012 -20.990 -8.145 1.00 0.00 C ATOM 0 H ALA A 17 23.676 -20.941 -8.619 1.00 0.00 H new ATOM 0 HA ALA A 17 21.422 -18.988 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 17 20.132 -20.708 -7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 17 20.707 -21.295 -9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 17 21.519 -21.819 -7.652 1.00 0.00 H new ATOM 205 N VAL A 18 21.509 -18.534 -6.240 1.00 0.00 N ATOM 206 CA VAL A 18 21.790 -17.980 -4.927 1.00 0.00 C ATOM 207 C VAL A 18 20.813 -18.572 -3.909 1.00 0.00 C ATOM 208 O VAL A 18 19.606 -18.356 -4.003 1.00 0.00 O ATOM 209 CB VAL A 18 21.742 -16.451 -4.982 1.00 0.00 C ATOM 210 CG1 VAL A 18 22.684 -15.912 -6.060 1.00 0.00 C ATOM 211 CG2 VAL A 18 20.312 -15.955 -5.206 1.00 0.00 C ATOM 0 H VAL A 18 20.591 -18.297 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 18 22.797 -18.249 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 18 22.082 -16.070 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.631 -14.823 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 23.705 -16.222 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 18 22.388 -16.306 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.306 -14.866 -5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.933 -16.350 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.677 -16.295 -4.388 1.00 0.00 H new ATOM 221 N LEU A 19 21.372 -19.307 -2.959 1.00 0.00 N ATOM 222 CA LEU A 19 20.565 -19.932 -1.924 1.00 0.00 C ATOM 223 C LEU A 19 20.327 -18.928 -0.794 1.00 0.00 C ATOM 224 O LEU A 19 21.185 -18.096 -0.507 1.00 0.00 O ATOM 225 CB LEU A 19 21.209 -21.240 -1.459 1.00 0.00 C ATOM 226 CG LEU A 19 20.953 -22.464 -2.341 1.00 0.00 C ATOM 227 CD1 LEU A 19 19.457 -22.648 -2.601 1.00 0.00 C ATOM 228 CD2 LEU A 19 21.755 -22.381 -3.641 1.00 0.00 C ATOM 0 H LEU A 19 22.374 -19.484 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 19 19.587 -20.208 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.286 -21.087 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.852 -21.460 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 19 21.298 -23.349 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.302 -23.525 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.937 -22.785 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 19 19.064 -21.765 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 19 21.555 -23.263 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 19 21.464 -21.487 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 19 22.819 -22.334 -3.410 1.00 0.00 H new ATOM 240 N PRO A 20 19.125 -19.044 -0.168 1.00 0.00 N ATOM 241 CA PRO A 20 18.762 -18.157 0.924 1.00 0.00 C ATOM 242 C PRO A 20 19.506 -18.534 2.207 1.00 0.00 C ATOM 243 O PRO A 20 20.365 -19.414 2.195 1.00 0.00 O ATOM 244 CB PRO A 20 17.253 -18.287 1.053 1.00 0.00 C ATOM 245 CG PRO A 20 16.885 -19.581 0.346 1.00 0.00 C ATOM 246 CD PRO A 20 18.084 -20.018 -0.481 1.00 0.00 C ATOM 0 HA PRO A 20 19.044 -17.121 0.735 1.00 0.00 H new ATOM 0 HB2 PRO A 20 16.951 -18.314 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 20 16.747 -17.436 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 20 16.621 -20.350 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 20 16.014 -19.433 -0.293 1.00 0.00 H new ATOM 0 HD2 PRO A 20 18.397 -21.029 -0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 20 17.851 -20.020 -1.546 1.00 0.00 H new ATOM 254 N GLN A 21 19.149 -17.848 3.283 1.00 0.00 N ATOM 255 CA GLN A 21 19.772 -18.100 4.572 1.00 0.00 C ATOM 256 C GLN A 21 18.706 -18.387 5.630 1.00 0.00 C ATOM 257 O GLN A 21 17.524 -18.122 5.413 1.00 0.00 O ATOM 258 CB GLN A 21 20.659 -16.926 4.991 1.00 0.00 C ATOM 259 CG GLN A 21 21.905 -17.417 5.731 1.00 0.00 C ATOM 260 CD GLN A 21 23.112 -16.529 5.423 1.00 0.00 C ATOM 261 OE1 GLN A 21 23.559 -15.740 6.238 1.00 0.00 O ATOM 262 NE2 GLN A 21 23.612 -16.701 4.202 1.00 0.00 N ATOM 0 H GLN A 21 18.437 -17.118 3.289 1.00 0.00 H new ATOM 0 HA GLN A 21 20.409 -18.979 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.956 -16.357 4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.094 -16.249 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 21 21.717 -17.421 6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 21 22.122 -18.445 5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 21 23.189 -17.379 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 21 24.418 -16.154 3.899 1.00 0.00 H new ATOM 271 N SER A 22 19.160 -18.923 6.753 1.00 0.00 N ATOM 272 CA SER A 22 18.260 -19.249 7.846 1.00 0.00 C ATOM 273 C SER A 22 17.229 -18.132 8.025 1.00 0.00 C ATOM 274 O SER A 22 17.591 -16.982 8.268 1.00 0.00 O ATOM 275 CB SER A 22 19.032 -19.472 9.148 1.00 0.00 C ATOM 276 OG SER A 22 19.738 -20.710 9.144 1.00 0.00 O ATOM 0 H SER A 22 20.141 -19.140 6.930 1.00 0.00 H new ATOM 0 HA SER A 22 17.743 -20.176 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.736 -18.653 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.338 -19.453 9.989 1.00 0.00 H new ATOM 0 HG SER A 22 20.219 -20.815 9.991 1.00 0.00 H new ATOM 282 N GLN A 23 15.966 -18.510 7.897 1.00 0.00 N ATOM 283 CA GLN A 23 14.881 -17.554 8.041 1.00 0.00 C ATOM 284 C GLN A 23 14.876 -16.574 6.866 1.00 0.00 C ATOM 285 O GLN A 23 15.933 -16.212 6.352 1.00 0.00 O ATOM 286 CB GLN A 23 14.979 -16.811 9.375 1.00 0.00 C ATOM 287 CG GLN A 23 13.785 -17.139 10.274 1.00 0.00 C ATOM 288 CD GLN A 23 13.476 -15.977 11.221 1.00 0.00 C ATOM 289 OE1 GLN A 23 13.312 -14.838 10.814 1.00 0.00 O ATOM 290 NE2 GLN A 23 13.407 -16.326 12.502 1.00 0.00 N ATOM 0 H GLN A 23 15.669 -19.465 7.695 1.00 0.00 H new ATOM 0 HA GLN A 23 13.938 -18.101 8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 23 15.905 -17.084 9.880 1.00 0.00 H new ATOM 0 HB3 GLN A 23 15.019 -15.737 9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.911 -17.354 9.659 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.997 -18.038 10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.555 -17.298 12.774 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.206 -15.622 13.212 1.00 0.00 H new ATOM 299 N GLY A 24 13.675 -16.174 6.476 1.00 0.00 N ATOM 300 CA GLY A 24 13.520 -15.243 5.371 1.00 0.00 C ATOM 301 C GLY A 24 13.631 -13.795 5.854 1.00 0.00 C ATOM 302 O GLY A 24 12.657 -13.046 5.811 1.00 0.00 O ATOM 0 H GLY A 24 12.801 -16.477 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.282 -15.438 4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.552 -15.398 4.893 1.00 0.00 H new ATOM 306 N ARG A 25 14.828 -13.445 6.304 1.00 0.00 N ATOM 307 CA ARG A 25 15.079 -12.101 6.794 1.00 0.00 C ATOM 308 C ARG A 25 13.978 -11.676 7.767 1.00 0.00 C ATOM 309 O ARG A 25 13.093 -12.467 8.092 1.00 0.00 O ATOM 310 CB ARG A 25 15.146 -11.098 5.641 1.00 0.00 C ATOM 311 CG ARG A 25 16.481 -11.202 4.900 1.00 0.00 C ATOM 312 CD ARG A 25 16.304 -11.894 3.547 1.00 0.00 C ATOM 313 NE ARG A 25 16.931 -11.083 2.479 1.00 0.00 N ATOM 314 CZ ARG A 25 16.356 -10.014 1.912 1.00 0.00 C ATOM 315 NH1 ARG A 25 15.138 -9.620 2.307 1.00 0.00 N ATOM 316 NH2 ARG A 25 17.000 -9.339 0.949 1.00 0.00 N ATOM 0 H ARG A 25 15.634 -14.069 6.339 1.00 0.00 H new ATOM 0 HA ARG A 25 16.040 -12.110 7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.326 -11.281 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.018 -10.086 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.897 -10.206 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.195 -11.759 5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.755 -12.886 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.244 -12.032 3.336 1.00 0.00 H new ATOM 0 HE ARG A 25 17.859 -11.355 2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.648 -10.134 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.700 -8.806 1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.927 -9.639 0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.563 -8.525 0.517 1.00 0.00 H new ATOM 330 N VAL A 26 14.068 -10.429 8.206 1.00 0.00 N ATOM 331 CA VAL A 26 13.090 -9.890 9.135 1.00 0.00 C ATOM 332 C VAL A 26 11.823 -9.505 8.369 1.00 0.00 C ATOM 333 O VAL A 26 11.874 -9.246 7.168 1.00 0.00 O ATOM 334 CB VAL A 26 13.697 -8.721 9.913 1.00 0.00 C ATOM 335 CG1 VAL A 26 12.666 -8.094 10.854 1.00 0.00 C ATOM 336 CG2 VAL A 26 14.944 -9.162 10.682 1.00 0.00 C ATOM 0 H VAL A 26 14.804 -9.776 7.935 1.00 0.00 H new ATOM 0 HA VAL A 26 12.808 -10.642 9.872 1.00 0.00 H new ATOM 0 HB VAL A 26 13.999 -7.961 9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.123 -7.266 11.395 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.820 -7.725 10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.319 -8.844 11.565 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.355 -8.312 11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.677 -9.949 11.387 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.689 -9.539 9.981 1.00 0.00 H new ATOM 346 N ALA A 27 10.715 -9.480 9.096 1.00 0.00 N ATOM 347 CA ALA A 27 9.437 -9.131 8.500 1.00 0.00 C ATOM 348 C ALA A 27 9.026 -7.733 8.968 1.00 0.00 C ATOM 349 O ALA A 27 9.280 -7.358 10.111 1.00 0.00 O ATOM 350 CB ALA A 27 8.399 -10.195 8.859 1.00 0.00 C ATOM 0 H ALA A 27 10.676 -9.696 10.092 1.00 0.00 H new ATOM 0 HA ALA A 27 9.514 -9.105 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.440 -9.933 8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.724 -11.163 8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.292 -10.248 9.942 1.00 0.00 H new ATOM 356 N ALA A 28 8.396 -7.002 8.060 1.00 0.00 N ATOM 357 CA ALA A 28 7.947 -5.654 8.365 1.00 0.00 C ATOM 358 C ALA A 28 9.138 -4.820 8.843 1.00 0.00 C ATOM 359 O ALA A 28 9.495 -4.859 10.020 1.00 0.00 O ATOM 360 CB ALA A 28 6.823 -5.713 9.402 1.00 0.00 C ATOM 0 H ALA A 28 8.186 -7.318 7.113 1.00 0.00 H new ATOM 0 HA ALA A 28 7.544 -5.173 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.486 -4.702 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.990 -6.292 9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.192 -6.187 10.312 1.00 0.00 H new ATOM 366 N SER A 29 9.719 -4.086 7.906 1.00 0.00 N ATOM 367 CA SER A 29 10.862 -3.245 8.217 1.00 0.00 C ATOM 368 C SER A 29 10.437 -1.775 8.248 1.00 0.00 C ATOM 369 O SER A 29 9.521 -1.375 7.531 1.00 0.00 O ATOM 370 CB SER A 29 11.989 -3.449 7.202 1.00 0.00 C ATOM 371 OG SER A 29 13.258 -3.078 7.732 1.00 0.00 O ATOM 0 H SER A 29 9.420 -4.056 6.931 1.00 0.00 H new ATOM 0 HA SER A 29 11.238 -3.530 9.200 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.016 -4.495 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.783 -2.860 6.308 1.00 0.00 H new ATOM 0 HG SER A 29 13.951 -3.224 7.055 1.00 0.00 H new ATOM 377 N GLU A 30 11.122 -1.012 9.087 1.00 0.00 N ATOM 378 CA GLU A 30 10.826 0.405 9.222 1.00 0.00 C ATOM 379 C GLU A 30 10.679 1.049 7.842 1.00 0.00 C ATOM 380 O GLU A 30 9.726 1.786 7.596 1.00 0.00 O ATOM 381 CB GLU A 30 11.902 1.113 10.047 1.00 0.00 C ATOM 382 CG GLU A 30 11.373 2.427 10.625 1.00 0.00 C ATOM 383 CD GLU A 30 12.296 3.594 10.268 1.00 0.00 C ATOM 384 OE1 GLU A 30 13.516 3.342 10.166 1.00 0.00 O ATOM 385 OE2 GLU A 30 11.760 4.712 10.107 1.00 0.00 O ATOM 0 H GLU A 30 11.881 -1.348 9.680 1.00 0.00 H new ATOM 0 HA GLU A 30 9.880 0.511 9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.232 0.462 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.773 1.311 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.371 2.620 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.288 2.344 11.709 1.00 0.00 H new ATOM 392 N GLU A 31 11.638 0.749 6.979 1.00 0.00 N ATOM 393 CA GLU A 31 11.628 1.290 5.630 1.00 0.00 C ATOM 394 C GLU A 31 10.234 1.156 5.015 1.00 0.00 C ATOM 395 O GLU A 31 9.701 2.116 4.460 1.00 0.00 O ATOM 396 CB GLU A 31 12.681 0.606 4.756 1.00 0.00 C ATOM 397 CG GLU A 31 13.931 1.478 4.619 1.00 0.00 C ATOM 398 CD GLU A 31 13.977 2.157 3.249 1.00 0.00 C ATOM 399 OE1 GLU A 31 14.475 1.502 2.308 1.00 0.00 O ATOM 400 OE2 GLU A 31 13.514 3.316 3.174 1.00 0.00 O ATOM 0 H GLU A 31 12.428 0.138 7.187 1.00 0.00 H new ATOM 0 HA GLU A 31 11.881 2.349 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.951 -0.356 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.264 0.404 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.939 2.234 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.823 0.866 4.756 1.00 0.00 H new ATOM 407 N GLN A 32 9.682 -0.043 5.134 1.00 0.00 N ATOM 408 CA GLN A 32 8.360 -0.315 4.597 1.00 0.00 C ATOM 409 C GLN A 32 7.293 0.413 5.417 1.00 0.00 C ATOM 410 O GLN A 32 6.533 1.216 4.879 1.00 0.00 O ATOM 411 CB GLN A 32 8.085 -1.820 4.552 1.00 0.00 C ATOM 412 CG GLN A 32 9.292 -2.582 4.001 1.00 0.00 C ATOM 413 CD GLN A 32 9.869 -1.878 2.771 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.273 -0.728 2.813 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.884 -2.632 1.674 1.00 0.00 N ATOM 0 H GLN A 32 10.127 -0.837 5.595 1.00 0.00 H new ATOM 0 HA GLN A 32 8.321 0.059 3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.849 -2.180 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.212 -2.015 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.059 -2.662 4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.996 -3.598 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.530 -3.588 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.249 -2.254 0.800 1.00 0.00 H new ATOM 424 N ILE A 33 7.271 0.106 6.706 1.00 0.00 N ATOM 425 CA ILE A 33 6.310 0.721 7.605 1.00 0.00 C ATOM 426 C ILE A 33 6.180 2.207 7.266 1.00 0.00 C ATOM 427 O ILE A 33 5.076 2.751 7.258 1.00 0.00 O ATOM 428 CB ILE A 33 6.694 0.454 9.062 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.462 -1.013 9.430 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.955 1.405 10.007 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.769 -1.684 9.859 1.00 0.00 C ATOM 0 H ILE A 33 7.903 -0.561 7.149 1.00 0.00 H new ATOM 0 HA ILE A 33 5.324 0.276 7.472 1.00 0.00 H new ATOM 0 HB ILE A 33 7.760 0.650 9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.733 -1.078 10.238 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.040 -1.543 8.576 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.246 1.194 11.036 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.212 2.435 9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.880 1.264 9.898 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.576 -2.726 10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.487 -1.639 9.040 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.176 -1.166 10.728 1.00 0.00 H new ATOM 443 N GLN A 34 7.321 2.822 6.995 1.00 0.00 N ATOM 444 CA GLN A 34 7.348 4.235 6.656 1.00 0.00 C ATOM 445 C GLN A 34 6.800 4.452 5.245 1.00 0.00 C ATOM 446 O GLN A 34 5.880 5.245 5.048 1.00 0.00 O ATOM 447 CB GLN A 34 8.762 4.803 6.789 1.00 0.00 C ATOM 448 CG GLN A 34 9.238 4.758 8.243 1.00 0.00 C ATOM 449 CD GLN A 34 8.706 5.957 9.031 1.00 0.00 C ATOM 450 OE1 GLN A 34 8.532 7.046 8.511 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.460 5.696 10.312 1.00 0.00 N ATOM 0 H GLN A 34 8.234 2.368 7.003 1.00 0.00 H new ATOM 0 HA GLN A 34 6.709 4.770 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.447 4.233 6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.780 5.832 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.902 3.833 8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.328 4.753 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.628 4.761 10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.103 6.431 10.923 1.00 0.00 H new ATOM 460 N LYS A 35 7.388 3.735 4.299 1.00 0.00 N ATOM 461 CA LYS A 35 6.970 3.839 2.911 1.00 0.00 C ATOM 462 C LYS A 35 5.443 3.764 2.836 1.00 0.00 C ATOM 463 O LYS A 35 4.837 4.294 1.906 1.00 0.00 O ATOM 464 CB LYS A 35 7.680 2.788 2.057 1.00 0.00 C ATOM 465 CG LYS A 35 8.542 3.448 0.978 1.00 0.00 C ATOM 466 CD LYS A 35 9.429 2.418 0.278 1.00 0.00 C ATOM 467 CE LYS A 35 8.869 2.057 -1.099 1.00 0.00 C ATOM 468 NZ LYS A 35 9.757 2.566 -2.169 1.00 0.00 N ATOM 0 H LYS A 35 8.151 3.079 4.466 1.00 0.00 H new ATOM 0 HA LYS A 35 7.263 4.803 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.304 2.160 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.943 2.136 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.901 3.939 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.163 4.223 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.438 2.815 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.503 1.520 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.769 0.975 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.871 2.480 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.363 2.313 -3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.832 3.601 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.701 2.143 -2.067 1.00 0.00 H new ATOM 482 N LEU A 36 4.866 3.101 3.827 1.00 0.00 N ATOM 483 CA LEU A 36 3.422 2.949 3.885 1.00 0.00 C ATOM 484 C LEU A 36 2.837 4.023 4.806 1.00 0.00 C ATOM 485 O LEU A 36 1.933 4.758 4.412 1.00 0.00 O ATOM 486 CB LEU A 36 3.049 1.522 4.290 1.00 0.00 C ATOM 487 CG LEU A 36 3.470 0.417 3.319 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.064 -0.960 3.845 1.00 0.00 C ATOM 489 CD2 LEU A 36 2.918 0.681 1.916 1.00 0.00 C ATOM 0 H LEU A 36 5.372 2.663 4.596 1.00 0.00 H new ATOM 0 HA LEU A 36 2.983 3.100 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.495 1.313 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.968 1.473 4.418 1.00 0.00 H new ATOM 0 HG LEU A 36 4.557 0.424 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.375 -1.727 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.545 -1.139 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.982 -0.998 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.232 -0.119 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.829 0.717 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.300 1.633 1.548 1.00 0.00 H new ATOM 501 N VAL A 37 3.377 4.078 6.014 1.00 0.00 N ATOM 502 CA VAL A 37 2.920 5.049 6.994 1.00 0.00 C ATOM 503 C VAL A 37 2.926 6.443 6.365 1.00 0.00 C ATOM 504 O VAL A 37 2.134 7.304 6.747 1.00 0.00 O ATOM 505 CB VAL A 37 3.777 4.959 8.258 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.596 6.202 9.132 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.462 3.686 9.045 1.00 0.00 C ATOM 0 H VAL A 37 4.127 3.466 6.337 1.00 0.00 H new ATOM 0 HA VAL A 37 1.895 4.834 7.297 1.00 0.00 H new ATOM 0 HB VAL A 37 4.822 4.913 7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.216 6.113 10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.893 7.088 8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.550 6.292 9.425 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.085 3.647 9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.411 3.688 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.665 2.814 8.423 1.00 0.00 H new ATOM 517 N ALA A 38 3.828 6.623 5.411 1.00 0.00 N ATOM 518 CA ALA A 38 3.947 7.899 4.726 1.00 0.00 C ATOM 519 C ALA A 38 2.773 8.065 3.759 1.00 0.00 C ATOM 520 O ALA A 38 2.294 9.178 3.544 1.00 0.00 O ATOM 521 CB ALA A 38 5.301 7.973 4.017 1.00 0.00 C ATOM 0 H ALA A 38 4.483 5.907 5.096 1.00 0.00 H new ATOM 0 HA ALA A 38 3.906 8.723 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.391 8.930 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.102 7.879 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.377 7.163 3.292 1.00 0.00 H new ATOM 527 N MET A 39 2.344 6.943 3.201 1.00 0.00 N ATOM 528 CA MET A 39 1.235 6.950 2.262 1.00 0.00 C ATOM 529 C MET A 39 -0.070 7.340 2.959 1.00 0.00 C ATOM 530 O MET A 39 -1.021 7.769 2.307 1.00 0.00 O ATOM 531 CB MET A 39 1.086 5.562 1.637 1.00 0.00 C ATOM 532 CG MET A 39 2.327 5.192 0.821 1.00 0.00 C ATOM 533 SD MET A 39 1.892 5.007 -0.900 1.00 0.00 S ATOM 534 CE MET A 39 2.956 3.644 -1.343 1.00 0.00 C ATOM 0 H MET A 39 2.744 6.022 3.381 1.00 0.00 H new ATOM 0 HA MET A 39 1.445 7.686 1.486 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.928 4.821 2.421 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.205 5.541 0.996 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.089 5.964 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.757 4.264 1.198 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.811 3.396 -2.394 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.996 3.925 -1.177 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.712 2.777 -0.729 1.00 0.00 H new ATOM 544 N GLY A 40 -0.074 7.176 4.273 1.00 0.00 N ATOM 545 CA GLY A 40 -1.247 7.505 5.065 1.00 0.00 C ATOM 546 C GLY A 40 -1.825 6.256 5.734 1.00 0.00 C ATOM 547 O GLY A 40 -3.023 6.192 6.008 1.00 0.00 O ATOM 0 H GLY A 40 0.717 6.819 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.982 8.240 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.003 7.964 4.428 1.00 0.00 H new ATOM 551 N PHE A 41 -0.947 5.294 5.978 1.00 0.00 N ATOM 552 CA PHE A 41 -1.355 4.051 6.609 1.00 0.00 C ATOM 553 C PHE A 41 -0.865 3.985 8.057 1.00 0.00 C ATOM 554 O PHE A 41 0.020 4.742 8.452 1.00 0.00 O ATOM 555 CB PHE A 41 -0.713 2.913 5.813 1.00 0.00 C ATOM 556 CG PHE A 41 -1.448 2.569 4.516 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.802 2.444 4.515 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.747 2.387 3.365 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.485 2.125 3.311 1.00 0.00 C ATOM 560 CE2 PHE A 41 -1.430 2.068 2.161 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.784 1.943 2.160 1.00 0.00 C ATOM 0 H PHE A 41 0.046 5.351 5.750 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.442 3.978 6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.315 3.185 5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.670 2.023 6.441 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.358 2.587 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.329 2.485 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.561 2.027 3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.874 1.925 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.303 1.699 1.245 1.00 0.00 H new ATOM 571 N ASP A 42 -1.462 3.072 8.809 1.00 0.00 N ATOM 572 CA ASP A 42 -1.098 2.897 10.205 1.00 0.00 C ATOM 573 C ASP A 42 -0.006 1.830 10.312 1.00 0.00 C ATOM 574 O ASP A 42 -0.093 0.781 9.675 1.00 0.00 O ATOM 575 CB ASP A 42 -2.297 2.431 11.033 1.00 0.00 C ATOM 576 CG ASP A 42 -2.290 2.887 12.493 1.00 0.00 C ATOM 577 OD1 ASP A 42 -2.728 4.033 12.732 1.00 0.00 O ATOM 578 OD2 ASP A 42 -1.847 2.079 13.338 1.00 0.00 O ATOM 0 H ASP A 42 -2.196 2.445 8.478 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.749 3.857 10.586 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.209 2.793 10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.335 1.342 11.008 1.00 0.00 H new ATOM 583 N ARG A 43 0.997 2.135 11.122 1.00 0.00 N ATOM 584 CA ARG A 43 2.104 1.216 11.321 1.00 0.00 C ATOM 585 C ARG A 43 1.587 -0.218 11.453 1.00 0.00 C ATOM 586 O ARG A 43 2.058 -1.118 10.759 1.00 0.00 O ATOM 587 CB ARG A 43 2.904 1.579 12.574 1.00 0.00 C ATOM 588 CG ARG A 43 4.106 0.648 12.747 1.00 0.00 C ATOM 589 CD ARG A 43 5.202 1.317 13.578 1.00 0.00 C ATOM 590 NE ARG A 43 6.244 0.327 13.932 1.00 0.00 N ATOM 591 CZ ARG A 43 7.308 0.598 14.699 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.478 1.830 15.199 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.203 -0.362 14.968 1.00 0.00 N ATOM 0 H ARG A 43 1.066 3.006 11.648 1.00 0.00 H new ATOM 0 HA ARG A 43 2.757 1.292 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.246 2.611 12.505 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.261 1.515 13.452 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.789 -0.275 13.232 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.502 0.374 11.769 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.645 2.139 13.016 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.773 1.745 14.484 1.00 0.00 H new ATOM 0 HE ARG A 43 6.146 -0.621 13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.797 2.561 14.995 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.288 2.036 15.783 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.074 -1.300 14.589 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.013 -0.155 15.552 1.00 0.00 H new ATOM 607 N THR A 44 0.624 -0.386 12.348 1.00 0.00 N ATOM 608 CA THR A 44 0.038 -1.695 12.579 1.00 0.00 C ATOM 609 C THR A 44 -0.434 -2.309 11.259 1.00 0.00 C ATOM 610 O THR A 44 -0.007 -3.403 10.893 1.00 0.00 O ATOM 611 CB THR A 44 -1.082 -1.536 13.609 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.416 -1.062 14.776 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.678 -2.878 14.039 1.00 0.00 C ATOM 0 H THR A 44 0.235 0.363 12.921 1.00 0.00 H new ATOM 0 HA THR A 44 0.773 -2.392 12.981 1.00 0.00 H new ATOM 0 HB THR A 44 -1.869 -0.906 13.194 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.069 -0.930 15.494 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.468 -2.708 14.770 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.093 -3.387 13.169 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.899 -3.496 14.484 1.00 0.00 H new ATOM 621 N GLN A 45 -1.307 -1.578 10.582 1.00 0.00 N ATOM 622 CA GLN A 45 -1.840 -2.037 9.311 1.00 0.00 C ATOM 623 C GLN A 45 -0.708 -2.530 8.407 1.00 0.00 C ATOM 624 O GLN A 45 -0.872 -3.507 7.678 1.00 0.00 O ATOM 625 CB GLN A 45 -2.649 -0.935 8.625 1.00 0.00 C ATOM 626 CG GLN A 45 -3.853 -0.527 9.478 1.00 0.00 C ATOM 627 CD GLN A 45 -5.149 -0.601 8.668 1.00 0.00 C ATOM 628 OE1 GLN A 45 -6.078 -1.320 9.000 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.159 0.178 7.591 1.00 0.00 N ATOM 0 H GLN A 45 -1.658 -0.671 10.890 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.515 -2.871 9.503 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.013 -0.068 8.449 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.991 -1.283 7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.925 -1.181 10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.711 0.487 9.852 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.347 0.755 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.979 0.199 6.984 1.00 0.00 H new ATOM 638 N VAL A 46 0.414 -1.830 8.483 1.00 0.00 N ATOM 639 CA VAL A 46 1.573 -2.184 7.681 1.00 0.00 C ATOM 640 C VAL A 46 2.200 -3.464 8.236 1.00 0.00 C ATOM 641 O VAL A 46 2.124 -4.519 7.609 1.00 0.00 O ATOM 642 CB VAL A 46 2.553 -1.010 7.632 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.709 -1.301 6.672 1.00 0.00 C ATOM 644 CG2 VAL A 46 1.837 0.287 7.251 1.00 0.00 C ATOM 0 H VAL A 46 0.545 -1.019 9.088 1.00 0.00 H new ATOM 0 HA VAL A 46 1.278 -2.387 6.651 1.00 0.00 H new ATOM 0 HB VAL A 46 2.971 -0.880 8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.391 -0.451 6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.245 -2.190 7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.316 -1.470 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.557 1.105 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.378 0.174 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.065 0.507 7.989 1.00 0.00 H new ATOM 654 N GLU A 47 2.807 -3.329 9.406 1.00 0.00 N ATOM 655 CA GLU A 47 3.447 -4.462 10.052 1.00 0.00 C ATOM 656 C GLU A 47 2.628 -5.734 9.827 1.00 0.00 C ATOM 657 O GLU A 47 3.178 -6.777 9.476 1.00 0.00 O ATOM 658 CB GLU A 47 3.651 -4.198 11.546 1.00 0.00 C ATOM 659 CG GLU A 47 4.668 -3.077 11.770 1.00 0.00 C ATOM 660 CD GLU A 47 5.567 -3.384 12.970 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.778 -4.589 13.227 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.022 -2.407 13.603 1.00 0.00 O ATOM 0 H GLU A 47 2.869 -2.452 9.923 1.00 0.00 H new ATOM 0 HA GLU A 47 4.430 -4.603 9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.700 -3.928 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.994 -5.109 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.279 -2.951 10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.146 -2.135 11.934 1.00 0.00 H new ATOM 669 N VAL A 48 1.326 -5.607 10.039 1.00 0.00 N ATOM 670 CA VAL A 48 0.425 -6.733 9.864 1.00 0.00 C ATOM 671 C VAL A 48 0.535 -7.250 8.428 1.00 0.00 C ATOM 672 O VAL A 48 0.801 -8.431 8.208 1.00 0.00 O ATOM 673 CB VAL A 48 -1.000 -6.328 10.246 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.002 -7.418 9.860 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.095 -5.999 11.737 1.00 0.00 C ATOM 0 H VAL A 48 0.874 -4.741 10.331 1.00 0.00 H new ATOM 0 HA VAL A 48 0.704 -7.552 10.527 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.254 -5.427 9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.007 -7.105 10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.963 -7.584 8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.751 -8.343 10.379 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.118 -5.714 11.982 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.812 -6.874 12.322 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.423 -5.174 11.971 1.00 0.00 H new ATOM 685 N ALA A 49 0.326 -6.340 7.488 1.00 0.00 N ATOM 686 CA ALA A 49 0.398 -6.689 6.079 1.00 0.00 C ATOM 687 C ALA A 49 1.746 -7.353 5.791 1.00 0.00 C ATOM 688 O ALA A 49 1.797 -8.509 5.374 1.00 0.00 O ATOM 689 CB ALA A 49 0.172 -5.436 5.230 1.00 0.00 C ATOM 0 H ALA A 49 0.107 -5.361 7.674 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.384 -7.403 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.226 -5.698 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.811 -5.019 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.940 -4.697 5.460 1.00 0.00 H new ATOM 695 N LEU A 50 2.806 -6.593 6.025 1.00 0.00 N ATOM 696 CA LEU A 50 4.151 -7.093 5.796 1.00 0.00 C ATOM 697 C LEU A 50 4.221 -8.564 6.209 1.00 0.00 C ATOM 698 O LEU A 50 4.966 -9.344 5.618 1.00 0.00 O ATOM 699 CB LEU A 50 5.180 -6.207 6.502 1.00 0.00 C ATOM 700 CG LEU A 50 5.500 -4.876 5.819 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.548 -5.062 4.720 1.00 0.00 C ATOM 702 CD2 LEU A 50 4.227 -4.211 5.291 1.00 0.00 C ATOM 0 H LEU A 50 2.761 -5.635 6.371 1.00 0.00 H new ATOM 0 HA LEU A 50 4.399 -7.047 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.820 -5.998 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.107 -6.772 6.605 1.00 0.00 H new ATOM 0 HG LEU A 50 5.929 -4.205 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.757 -4.101 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.464 -5.461 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.170 -5.757 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.482 -3.267 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.746 -4.869 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.544 -4.023 6.120 1.00 0.00 H new ATOM 714 N ALA A 51 3.434 -8.900 7.221 1.00 0.00 N ATOM 715 CA ALA A 51 3.397 -10.264 7.720 1.00 0.00 C ATOM 716 C ALA A 51 2.807 -11.180 6.645 1.00 0.00 C ATOM 717 O ALA A 51 3.454 -12.133 6.213 1.00 0.00 O ATOM 718 CB ALA A 51 2.600 -10.309 9.025 1.00 0.00 C ATOM 0 H ALA A 51 2.817 -8.251 7.709 1.00 0.00 H new ATOM 0 HA ALA A 51 4.404 -10.619 7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.572 -11.332 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.076 -9.665 9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.583 -9.962 8.842 1.00 0.00 H new ATOM 724 N ALA A 52 1.586 -10.858 6.244 1.00 0.00 N ATOM 725 CA ALA A 52 0.902 -11.640 5.228 1.00 0.00 C ATOM 726 C ALA A 52 1.583 -11.419 3.876 1.00 0.00 C ATOM 727 O ALA A 52 1.449 -12.237 2.968 1.00 0.00 O ATOM 728 CB ALA A 52 -0.580 -11.260 5.203 1.00 0.00 C ATOM 0 H ALA A 52 1.053 -10.067 6.604 1.00 0.00 H new ATOM 0 HA ALA A 52 0.962 -12.704 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.093 -11.846 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.024 -11.463 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.680 -10.199 4.973 1.00 0.00 H new ATOM 734 N ALA A 53 2.300 -10.308 3.785 1.00 0.00 N ATOM 735 CA ALA A 53 3.003 -9.969 2.559 1.00 0.00 C ATOM 736 C ALA A 53 4.255 -10.840 2.436 1.00 0.00 C ATOM 737 O ALA A 53 4.695 -11.148 1.330 1.00 0.00 O ATOM 738 CB ALA A 53 3.330 -8.474 2.555 1.00 0.00 C ATOM 0 H ALA A 53 2.409 -9.631 4.540 1.00 0.00 H new ATOM 0 HA ALA A 53 2.376 -10.168 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.857 -8.219 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.406 -7.899 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.960 -8.237 3.412 1.00 0.00 H new ATOM 744 N ASP A 54 4.793 -11.212 3.588 1.00 0.00 N ATOM 745 CA ASP A 54 5.985 -12.042 3.624 1.00 0.00 C ATOM 746 C ASP A 54 7.221 -11.159 3.438 1.00 0.00 C ATOM 747 O ASP A 54 8.198 -11.575 2.816 1.00 0.00 O ATOM 748 CB ASP A 54 5.970 -13.077 2.498 1.00 0.00 C ATOM 749 CG ASP A 54 6.758 -14.356 2.785 1.00 0.00 C ATOM 750 OD1 ASP A 54 6.740 -14.783 3.960 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.362 -14.879 1.823 1.00 0.00 O ATOM 0 H ASP A 54 4.425 -10.954 4.504 1.00 0.00 H new ATOM 0 HA ASP A 54 6.010 -12.556 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.935 -13.346 2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.371 -12.616 1.596 1.00 0.00 H new ATOM 756 N ASP A 55 7.138 -9.956 3.987 1.00 0.00 N ATOM 757 CA ASP A 55 8.237 -9.011 3.889 1.00 0.00 C ATOM 758 C ASP A 55 8.190 -8.320 2.524 1.00 0.00 C ATOM 759 O ASP A 55 9.215 -7.865 2.019 1.00 0.00 O ATOM 760 CB ASP A 55 9.587 -9.721 4.013 1.00 0.00 C ATOM 761 CG ASP A 55 9.598 -10.928 4.952 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.006 -10.802 6.046 1.00 0.00 O ATOM 763 OD2 ASP A 55 10.199 -11.950 4.556 1.00 0.00 O ATOM 0 H ASP A 55 6.326 -9.614 4.501 1.00 0.00 H new ATOM 0 HA ASP A 55 8.134 -8.289 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.901 -10.048 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.328 -9.002 4.361 1.00 0.00 H new ATOM 768 N ASP A 56 6.989 -8.263 1.967 1.00 0.00 N ATOM 769 CA ASP A 56 6.795 -7.636 0.671 1.00 0.00 C ATOM 770 C ASP A 56 6.096 -6.288 0.861 1.00 0.00 C ATOM 771 O ASP A 56 5.197 -6.164 1.692 1.00 0.00 O ATOM 772 CB ASP A 56 5.916 -8.501 -0.234 1.00 0.00 C ATOM 773 CG ASP A 56 6.532 -8.851 -1.591 1.00 0.00 C ATOM 774 OD1 ASP A 56 6.369 -8.028 -2.517 1.00 0.00 O ATOM 775 OD2 ASP A 56 7.151 -9.934 -1.670 1.00 0.00 O ATOM 0 H ASP A 56 6.141 -8.641 2.390 1.00 0.00 H new ATOM 0 HA ASP A 56 7.774 -7.509 0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.680 -9.427 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.973 -7.982 -0.403 1.00 0.00 H new ATOM 780 N LEU A 57 6.534 -5.314 0.078 1.00 0.00 N ATOM 781 CA LEU A 57 5.961 -3.981 0.149 1.00 0.00 C ATOM 782 C LEU A 57 4.777 -3.886 -0.815 1.00 0.00 C ATOM 783 O LEU A 57 3.653 -3.613 -0.398 1.00 0.00 O ATOM 784 CB LEU A 57 7.038 -2.921 -0.093 1.00 0.00 C ATOM 785 CG LEU A 57 6.656 -1.483 0.265 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.518 -1.457 1.287 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.877 -0.696 0.747 1.00 0.00 C ATOM 0 H LEU A 57 7.280 -5.421 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 57 5.574 -3.786 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.924 -3.194 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.318 -2.950 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 57 6.291 -0.991 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.266 -0.424 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.644 -1.958 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.833 -1.971 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.579 0.323 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.294 -1.177 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.629 -0.672 -0.042 1.00 0.00 H new ATOM 799 N THR A 58 5.071 -4.118 -2.086 1.00 0.00 N ATOM 800 CA THR A 58 4.044 -4.063 -3.113 1.00 0.00 C ATOM 801 C THR A 58 2.721 -4.610 -2.575 1.00 0.00 C ATOM 802 O THR A 58 1.709 -3.910 -2.577 1.00 0.00 O ATOM 803 CB THR A 58 4.561 -4.819 -4.339 1.00 0.00 C ATOM 804 OG1 THR A 58 4.964 -3.789 -5.238 1.00 0.00 O ATOM 805 CG2 THR A 58 3.446 -5.551 -5.088 1.00 0.00 C ATOM 0 H THR A 58 6.005 -4.344 -2.428 1.00 0.00 H new ATOM 0 HA THR A 58 3.837 -3.035 -3.410 1.00 0.00 H new ATOM 0 HB THR A 58 5.322 -5.535 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.314 -4.191 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.866 -6.071 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.974 -6.274 -4.422 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.702 -4.831 -5.427 1.00 0.00 H new ATOM 813 N VAL A 59 2.771 -5.855 -2.126 1.00 0.00 N ATOM 814 CA VAL A 59 1.589 -6.504 -1.586 1.00 0.00 C ATOM 815 C VAL A 59 1.054 -5.683 -0.411 1.00 0.00 C ATOM 816 O VAL A 59 -0.092 -5.236 -0.433 1.00 0.00 O ATOM 817 CB VAL A 59 1.913 -7.951 -1.206 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.633 -8.758 -0.978 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.796 -8.611 -2.267 1.00 0.00 C ATOM 0 H VAL A 59 3.612 -6.432 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 59 0.801 -6.548 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 59 2.470 -7.935 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.892 -9.782 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.057 -8.306 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.038 -8.762 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.012 -9.638 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.276 -8.609 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.730 -8.056 -2.360 1.00 0.00 H new ATOM 829 N ALA A 60 1.908 -5.511 0.586 1.00 0.00 N ATOM 830 CA ALA A 60 1.536 -4.751 1.768 1.00 0.00 C ATOM 831 C ALA A 60 0.612 -3.602 1.360 1.00 0.00 C ATOM 832 O ALA A 60 -0.441 -3.403 1.964 1.00 0.00 O ATOM 833 CB ALA A 60 2.799 -4.260 2.478 1.00 0.00 C ATOM 0 H ALA A 60 2.857 -5.885 0.600 1.00 0.00 H new ATOM 0 HA ALA A 60 0.990 -5.379 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.520 -3.690 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.406 -5.116 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.372 -3.624 1.803 1.00 0.00 H new ATOM 839 N VAL A 61 1.039 -2.876 0.338 1.00 0.00 N ATOM 840 CA VAL A 61 0.264 -1.751 -0.158 1.00 0.00 C ATOM 841 C VAL A 61 -1.151 -2.224 -0.498 1.00 0.00 C ATOM 842 O VAL A 61 -2.131 -1.660 -0.014 1.00 0.00 O ATOM 843 CB VAL A 61 0.980 -1.104 -1.345 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.149 0.040 -1.928 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.375 -0.621 -0.946 1.00 0.00 C ATOM 0 H VAL A 61 1.913 -3.045 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 61 0.175 -0.981 0.608 1.00 0.00 H new ATOM 0 HB VAL A 61 1.097 -1.862 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.680 0.483 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.813 -0.345 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.014 0.798 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.863 -0.165 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.290 0.114 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.968 -1.468 -0.600 1.00 0.00 H new ATOM 855 N GLU A 62 -1.212 -3.255 -1.328 1.00 0.00 N ATOM 856 CA GLU A 62 -2.491 -3.810 -1.739 1.00 0.00 C ATOM 857 C GLU A 62 -3.285 -4.275 -0.517 1.00 0.00 C ATOM 858 O GLU A 62 -4.502 -4.104 -0.462 1.00 0.00 O ATOM 859 CB GLU A 62 -2.297 -4.956 -2.735 1.00 0.00 C ATOM 860 CG GLU A 62 -2.290 -6.308 -2.020 1.00 0.00 C ATOM 861 CD GLU A 62 -3.714 -6.756 -1.681 1.00 0.00 C ATOM 862 OE1 GLU A 62 -4.587 -6.585 -2.560 1.00 0.00 O ATOM 863 OE2 GLU A 62 -3.897 -7.259 -0.552 1.00 0.00 O ATOM 0 H GLU A 62 -0.397 -3.721 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.060 -3.028 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.095 -4.937 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.359 -4.820 -3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.811 -7.055 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.700 -6.237 -1.106 1.00 0.00 H new ATOM 870 N ILE A 63 -2.564 -4.852 0.433 1.00 0.00 N ATOM 871 CA ILE A 63 -3.187 -5.343 1.651 1.00 0.00 C ATOM 872 C ILE A 63 -3.730 -4.158 2.453 1.00 0.00 C ATOM 873 O ILE A 63 -4.878 -4.177 2.894 1.00 0.00 O ATOM 874 CB ILE A 63 -2.210 -6.221 2.435 1.00 0.00 C ATOM 875 CG1 ILE A 63 -1.835 -7.471 1.637 1.00 0.00 C ATOM 876 CG2 ILE A 63 -2.773 -6.569 3.815 1.00 0.00 C ATOM 877 CD1 ILE A 63 -0.393 -7.893 1.925 1.00 0.00 C ATOM 0 H ILE A 63 -1.555 -4.991 0.384 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.036 -5.984 1.414 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.293 -5.654 2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.514 -8.286 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.955 -7.276 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.059 -7.194 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.949 -5.652 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.713 -7.109 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.152 -8.784 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.285 -7.085 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.283 -8.111 2.987 1.00 0.00 H new ATOM 889 N LEU A 64 -2.878 -3.157 2.619 1.00 0.00 N ATOM 890 CA LEU A 64 -3.258 -1.967 3.361 1.00 0.00 C ATOM 891 C LEU A 64 -4.528 -1.373 2.748 1.00 0.00 C ATOM 892 O LEU A 64 -5.436 -0.962 3.469 1.00 0.00 O ATOM 893 CB LEU A 64 -2.089 -0.982 3.429 1.00 0.00 C ATOM 894 CG LEU A 64 -0.983 -1.322 4.429 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.031 -0.386 5.639 1.00 0.00 C ATOM 896 CD2 LEU A 64 -1.049 -2.794 4.840 1.00 0.00 C ATOM 0 H LEU A 64 -1.926 -3.146 2.252 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.491 -2.221 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.644 -0.908 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.484 0.004 3.676 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.021 -1.167 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.234 -0.649 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.898 0.644 5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.995 -0.485 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.252 -3.009 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.014 -2.999 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.928 -3.424 3.958 1.00 0.00 H new ATOM 908 N MET A 65 -4.551 -1.346 1.423 1.00 0.00 N ATOM 909 CA MET A 65 -5.694 -0.809 0.705 1.00 0.00 C ATOM 910 C MET A 65 -6.990 -1.490 1.150 1.00 0.00 C ATOM 911 O MET A 65 -7.942 -0.821 1.550 1.00 0.00 O ATOM 912 CB MET A 65 -5.498 -1.018 -0.798 1.00 0.00 C ATOM 913 CG MET A 65 -4.536 0.023 -1.374 1.00 0.00 C ATOM 914 SD MET A 65 -5.447 1.258 -2.285 1.00 0.00 S ATOM 915 CE MET A 65 -5.481 2.572 -1.077 1.00 0.00 C ATOM 0 H MET A 65 -3.796 -1.688 0.828 1.00 0.00 H new ATOM 0 HA MET A 65 -5.770 0.256 0.926 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.109 -2.019 -0.982 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.460 -0.951 -1.307 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.973 0.495 -0.569 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.811 -0.462 -2.028 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.922 3.464 -1.522 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.077 2.262 -0.219 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.465 2.794 -0.752 1.00 0.00 H new ATOM 925 N SER A 66 -6.985 -2.812 1.065 1.00 0.00 N ATOM 926 CA SER A 66 -8.149 -3.592 1.454 1.00 0.00 C ATOM 927 C SER A 66 -8.467 -3.355 2.932 1.00 0.00 C ATOM 928 O SER A 66 -9.611 -3.080 3.288 1.00 0.00 O ATOM 929 CB SER A 66 -7.926 -5.082 1.191 1.00 0.00 C ATOM 930 OG SER A 66 -9.050 -5.867 1.581 1.00 0.00 O ATOM 0 H SER A 66 -6.194 -3.363 0.733 1.00 0.00 H new ATOM 0 HA SER A 66 -8.996 -3.267 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.726 -5.237 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.043 -5.418 1.735 1.00 0.00 H new ATOM 0 HG SER A 66 -8.869 -6.812 1.396 1.00 0.00 H new ATOM 936 N GLN A 67 -7.433 -3.472 3.753 1.00 0.00 N ATOM 937 CA GLN A 67 -7.588 -3.274 5.184 1.00 0.00 C ATOM 938 C GLN A 67 -8.465 -2.051 5.459 1.00 0.00 C ATOM 939 O GLN A 67 -9.480 -2.153 6.147 1.00 0.00 O ATOM 940 CB GLN A 67 -6.227 -3.137 5.869 1.00 0.00 C ATOM 941 CG GLN A 67 -5.490 -4.478 5.898 1.00 0.00 C ATOM 942 CD GLN A 67 -5.047 -4.830 7.319 1.00 0.00 C ATOM 943 OE1 GLN A 67 -5.756 -5.470 8.078 1.00 0.00 O ATOM 944 NE2 GLN A 67 -3.838 -4.376 7.637 1.00 0.00 N ATOM 0 H GLN A 67 -6.485 -3.701 3.454 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.081 -4.152 5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.624 -2.398 5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.363 -2.771 6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.140 -5.263 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.620 -4.433 5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.296 -3.846 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.453 -4.558 8.564 1.00 0.00 H new ATOM 953 N SER A 68 -8.043 -0.923 4.907 1.00 0.00 N ATOM 954 CA SER A 68 -8.778 0.318 5.084 1.00 0.00 C ATOM 955 C SER A 68 -8.550 1.237 3.883 1.00 0.00 C ATOM 956 O SER A 68 -7.511 1.164 3.229 1.00 0.00 O ATOM 957 CB SER A 68 -8.364 1.023 6.378 1.00 0.00 C ATOM 958 OG SER A 68 -9.331 1.983 6.795 1.00 0.00 O ATOM 0 H SER A 68 -7.201 -0.842 4.337 1.00 0.00 H new ATOM 0 HA SER A 68 -9.839 0.080 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.225 0.283 7.166 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.403 1.516 6.231 1.00 0.00 H new ATOM 0 HG SER A 68 -9.031 2.410 7.625 1.00 0.00 H new ATOM 964 N GLY A 69 -9.540 2.081 3.628 1.00 0.00 N ATOM 965 CA GLY A 69 -9.460 3.013 2.516 1.00 0.00 C ATOM 966 C GLY A 69 -9.393 4.458 3.016 1.00 0.00 C ATOM 967 O GLY A 69 -8.786 4.733 4.050 1.00 0.00 O ATOM 0 H GLY A 69 -10.401 2.139 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.579 2.791 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.328 2.888 1.869 1.00 0.00 H new ATOM 971 N PRO A 70 -10.042 5.365 2.239 1.00 0.00 N ATOM 972 CA PRO A 70 -10.061 6.775 2.592 1.00 0.00 C ATOM 973 C PRO A 70 -11.020 7.035 3.755 1.00 0.00 C ATOM 974 O PRO A 70 -12.235 7.074 3.567 1.00 0.00 O ATOM 975 CB PRO A 70 -10.467 7.494 1.316 1.00 0.00 C ATOM 976 CG PRO A 70 -11.108 6.440 0.428 1.00 0.00 C ATOM 977 CD PRO A 70 -10.771 5.076 1.007 1.00 0.00 C ATOM 0 HA PRO A 70 -9.094 7.134 2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.166 8.303 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.601 7.942 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.188 6.581 0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.736 6.524 -0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.673 4.497 1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -10.164 4.492 0.316 1.00 0.00 H new ATOM 985 N SER A 71 -10.437 7.206 4.933 1.00 0.00 N ATOM 986 CA SER A 71 -11.224 7.462 6.127 1.00 0.00 C ATOM 987 C SER A 71 -12.386 8.401 5.797 1.00 0.00 C ATOM 988 O SER A 71 -12.170 9.541 5.389 1.00 0.00 O ATOM 989 CB SER A 71 -10.359 8.058 7.240 1.00 0.00 C ATOM 990 OG SER A 71 -11.084 8.207 8.458 1.00 0.00 O ATOM 0 H SER A 71 -9.429 7.172 5.086 1.00 0.00 H new ATOM 0 HA SER A 71 -11.623 6.512 6.483 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.494 7.417 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.979 9.029 6.923 1.00 0.00 H new ATOM 0 HG SER A 71 -10.497 8.589 9.144 1.00 0.00 H new ATOM 996 N SER A 72 -13.593 7.888 5.987 1.00 0.00 N ATOM 997 CA SER A 72 -14.789 8.666 5.715 1.00 0.00 C ATOM 998 C SER A 72 -14.902 9.819 6.715 1.00 0.00 C ATOM 999 O SER A 72 -15.043 10.975 6.321 1.00 0.00 O ATOM 1000 CB SER A 72 -16.041 7.790 5.771 1.00 0.00 C ATOM 1001 OG SER A 72 -17.237 8.563 5.707 1.00 0.00 O ATOM 0 H SER A 72 -13.768 6.942 6.326 1.00 0.00 H new ATOM 0 HA SER A 72 -14.709 9.074 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.024 7.080 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.035 7.207 6.692 1.00 0.00 H new ATOM 0 HG SER A 72 -18.014 7.967 5.744 1.00 0.00 H new ATOM 1007 N GLY A 73 -14.835 9.463 7.989 1.00 0.00 N ATOM 1008 CA GLY A 73 -14.928 10.452 9.049 1.00 0.00 C ATOM 1009 C GLY A 73 -15.428 9.819 10.349 1.00 0.00 C ATOM 1010 O GLY A 73 -15.198 10.354 11.432 1.00 0.00 O ATOM 0 H GLY A 73 -14.717 8.502 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.951 10.906 9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.604 11.252 8.746 1.00 0.00 H new TER 1014 GLY A 73