USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 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 47 LYS NZ :NH3+ 160:sc= 0.373 (180deg=0.207) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc=0.000813 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -59:sc= 0.238 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 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 106:sc= 0.621 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -145:sc= 1.19 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.263) USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= -0.525 (180deg=-2!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0905 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot -94:sc= 1.26 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0683 K(o=-0.068,f=-0.74) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.13) USER MOD Single : A 61 THR OG1 : rot 167:sc= -1.86! USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -127:sc= 0.121 USER MOD Single : A 73 SER OG : rot -140:sc= -0.476 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.884 -21.017 -2.373 1.00 0.00 N ATOM 2 CA GLY A 1 2.930 -20.553 -3.265 1.00 0.00 C ATOM 3 C GLY A 1 4.295 -20.541 -2.603 1.00 0.00 C ATOM 4 O GLY A 1 4.942 -19.498 -2.518 1.00 0.00 O ATOM 0 H1 GLY A 1 0.972 -21.006 -2.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.097 -21.986 -2.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.832 -20.391 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.963 -21.194 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.689 -19.548 -3.611 1.00 0.00 H new ATOM 8 N SER A 2 4.731 -21.705 -2.131 1.00 0.00 N ATOM 9 CA SER A 2 6.025 -21.824 -1.470 1.00 0.00 C ATOM 10 C SER A 2 6.144 -20.820 -0.327 1.00 0.00 C ATOM 11 O SER A 2 7.187 -20.194 -0.141 1.00 0.00 O ATOM 12 CB SER A 2 7.159 -21.607 -2.474 1.00 0.00 C ATOM 13 OG SER A 2 8.406 -21.992 -1.924 1.00 0.00 O ATOM 0 H SER A 2 4.207 -22.578 -2.194 1.00 0.00 H new ATOM 0 HA SER A 2 6.103 -22.830 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.963 -22.183 -3.379 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.195 -20.557 -2.766 1.00 0.00 H new ATOM 0 HG SER A 2 8.582 -21.469 -1.114 1.00 0.00 H new ATOM 19 N SER A 3 5.066 -20.670 0.437 1.00 0.00 N ATOM 20 CA SER A 3 5.046 -19.739 1.559 1.00 0.00 C ATOM 21 C SER A 3 6.055 -20.155 2.627 1.00 0.00 C ATOM 22 O SER A 3 6.702 -21.194 2.513 1.00 0.00 O ATOM 23 CB SER A 3 3.644 -19.668 2.166 1.00 0.00 C ATOM 24 OG SER A 3 2.763 -18.937 1.331 1.00 0.00 O ATOM 0 H SER A 3 4.195 -21.182 0.299 1.00 0.00 H new ATOM 0 HA SER A 3 5.322 -18.753 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.257 -20.676 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.693 -19.198 3.148 1.00 0.00 H new ATOM 0 HG SER A 3 1.873 -18.908 1.740 1.00 0.00 H new ATOM 30 N GLY A 4 6.182 -19.333 3.664 1.00 0.00 N ATOM 31 CA GLY A 4 7.112 -19.630 4.736 1.00 0.00 C ATOM 32 C GLY A 4 6.476 -19.507 6.107 1.00 0.00 C ATOM 33 O GLY A 4 5.395 -20.046 6.348 1.00 0.00 O ATOM 0 H GLY A 4 5.657 -18.466 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.498 -20.641 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.964 -18.953 4.672 1.00 0.00 H new ATOM 37 N SER A 5 7.148 -18.798 7.008 1.00 0.00 N ATOM 38 CA SER A 5 6.644 -18.609 8.364 1.00 0.00 C ATOM 39 C SER A 5 6.085 -17.201 8.545 1.00 0.00 C ATOM 40 O SER A 5 6.783 -16.300 9.009 1.00 0.00 O ATOM 41 CB SER A 5 7.755 -18.864 9.384 1.00 0.00 C ATOM 42 OG SER A 5 8.103 -20.237 9.426 1.00 0.00 O ATOM 0 H SER A 5 8.043 -18.345 6.824 1.00 0.00 H new ATOM 0 HA SER A 5 5.838 -19.325 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.633 -18.271 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.428 -18.538 10.371 1.00 0.00 H new ATOM 0 HG SER A 5 8.816 -20.374 10.084 1.00 0.00 H new ATOM 48 N SER A 6 4.821 -17.021 8.174 1.00 0.00 N ATOM 49 CA SER A 6 4.168 -15.722 8.291 1.00 0.00 C ATOM 50 C SER A 6 2.827 -15.852 9.009 1.00 0.00 C ATOM 51 O SER A 6 2.320 -16.956 9.207 1.00 0.00 O ATOM 52 CB SER A 6 3.961 -15.106 6.907 1.00 0.00 C ATOM 53 OG SER A 6 5.199 -14.904 6.248 1.00 0.00 O ATOM 0 H SER A 6 4.229 -17.758 7.790 1.00 0.00 H new ATOM 0 HA SER A 6 4.813 -15.069 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.328 -15.759 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.437 -14.155 7.004 1.00 0.00 H new ATOM 0 HG SER A 6 5.039 -14.511 5.365 1.00 0.00 H new ATOM 59 N GLY A 7 2.257 -14.715 9.395 1.00 0.00 N ATOM 60 CA GLY A 7 0.981 -14.721 10.086 1.00 0.00 C ATOM 61 C GLY A 7 0.101 -13.551 9.689 1.00 0.00 C ATOM 62 O GLY A 7 -0.405 -12.829 10.547 1.00 0.00 O ATOM 0 H GLY A 7 2.656 -13.789 9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.459 -15.654 9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.154 -14.693 11.162 1.00 0.00 H new ATOM 66 N ASP A 8 -0.080 -13.366 8.387 1.00 0.00 N ATOM 67 CA ASP A 8 -0.905 -12.276 7.877 1.00 0.00 C ATOM 68 C ASP A 8 -2.297 -12.311 8.501 1.00 0.00 C ATOM 69 O ASP A 8 -2.848 -13.373 8.789 1.00 0.00 O ATOM 70 CB ASP A 8 -1.013 -12.357 6.355 1.00 0.00 C ATOM 71 CG ASP A 8 0.282 -11.977 5.661 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.272 -12.723 5.806 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.303 -10.935 4.974 1.00 0.00 O ATOM 0 H ASP A 8 0.333 -13.956 7.665 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.427 -11.335 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.292 -13.370 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.811 -11.697 6.015 1.00 0.00 H new ATOM 78 N PRO A 9 -2.879 -11.121 8.717 1.00 0.00 N ATOM 79 CA PRO A 9 -4.213 -10.989 9.309 1.00 0.00 C ATOM 80 C PRO A 9 -5.314 -11.468 8.369 1.00 0.00 C ATOM 81 O PRO A 9 -5.103 -11.658 7.171 1.00 0.00 O ATOM 82 CB PRO A 9 -4.342 -9.484 9.560 1.00 0.00 C ATOM 83 CG PRO A 9 -3.424 -8.854 8.570 1.00 0.00 C ATOM 84 CD PRO A 9 -2.279 -9.815 8.397 1.00 0.00 C ATOM 0 HA PRO A 9 -4.322 -11.596 10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.369 -9.146 9.419 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.059 -9.227 10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.933 -8.679 7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.071 -7.886 8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.885 -9.792 7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.451 -9.578 9.065 1.00 0.00 H new ATOM 92 N PRO A 10 -6.520 -11.669 8.922 1.00 0.00 N ATOM 93 CA PRO A 10 -7.678 -12.127 8.150 1.00 0.00 C ATOM 94 C PRO A 10 -8.189 -11.064 7.185 1.00 0.00 C ATOM 95 O PRO A 10 -8.708 -11.381 6.115 1.00 0.00 O ATOM 96 CB PRO A 10 -8.726 -12.422 9.226 1.00 0.00 C ATOM 97 CG PRO A 10 -8.346 -11.554 10.375 1.00 0.00 C ATOM 98 CD PRO A 10 -6.844 -11.463 10.344 1.00 0.00 C ATOM 0 HA PRO A 10 -7.437 -12.986 7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.731 -12.193 8.873 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.719 -13.475 9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.799 -10.567 10.285 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.692 -11.979 11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.492 -10.495 10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.382 -12.222 10.976 1.00 0.00 H new ATOM 106 N TRP A 11 -8.041 -9.801 7.570 1.00 0.00 N ATOM 107 CA TRP A 11 -8.488 -8.690 6.738 1.00 0.00 C ATOM 108 C TRP A 11 -7.625 -8.567 5.486 1.00 0.00 C ATOM 109 O TRP A 11 -8.054 -8.004 4.479 1.00 0.00 O ATOM 110 CB TRP A 11 -8.448 -7.383 7.530 1.00 0.00 C ATOM 111 CG TRP A 11 -7.072 -7.009 7.990 1.00 0.00 C ATOM 112 CD1 TRP A 11 -6.572 -7.120 9.257 1.00 0.00 C ATOM 113 CD2 TRP A 11 -6.020 -6.463 7.188 1.00 0.00 C ATOM 114 NE1 TRP A 11 -5.273 -6.675 9.290 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.910 -6.267 8.034 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.906 -6.121 5.838 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -3.704 -5.745 7.572 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.710 -5.602 5.380 1.00 0.00 C ATOM 119 CH2 TRP A 11 -3.621 -5.419 6.244 1.00 0.00 C ATOM 0 H TRP A 11 -7.615 -9.521 8.453 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.515 -8.889 6.432 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.847 -6.579 6.911 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.102 -7.472 8.398 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.118 -7.501 10.107 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.675 -6.652 10.116 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.738 -6.260 5.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.865 -5.602 8.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.612 -5.333 4.339 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.699 -5.013 5.855 1.00 0.00 H new ATOM 130 N ALA A 12 -6.408 -9.095 5.557 1.00 0.00 N ATOM 131 CA ALA A 12 -5.487 -9.046 4.429 1.00 0.00 C ATOM 132 C ALA A 12 -6.065 -9.764 3.215 1.00 0.00 C ATOM 133 O ALA A 12 -6.767 -10.769 3.336 1.00 0.00 O ATOM 134 CB ALA A 12 -4.146 -9.652 4.815 1.00 0.00 C ATOM 0 H ALA A 12 -6.037 -9.562 6.384 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.337 -8.000 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.468 -9.609 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.719 -9.091 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.288 -10.691 5.113 1.00 0.00 H new ATOM 140 N PRO A 13 -5.767 -9.241 2.018 1.00 0.00 N ATOM 141 CA PRO A 13 -6.248 -9.817 0.759 1.00 0.00 C ATOM 142 C PRO A 13 -5.590 -11.157 0.445 1.00 0.00 C ATOM 143 O PRO A 13 -4.381 -11.318 0.611 1.00 0.00 O ATOM 144 CB PRO A 13 -5.853 -8.771 -0.286 1.00 0.00 C ATOM 145 CG PRO A 13 -4.694 -8.055 0.315 1.00 0.00 C ATOM 146 CD PRO A 13 -4.936 -8.044 1.800 1.00 0.00 C ATOM 0 HA PRO A 13 -7.317 -10.025 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.582 -9.239 -1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.677 -8.088 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.758 -8.559 0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.618 -7.040 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.002 -8.095 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.448 -7.136 2.117 1.00 0.00 H new ATOM 154 N ARG A 14 -6.393 -12.114 -0.008 1.00 0.00 N ATOM 155 CA ARG A 14 -5.887 -13.439 -0.344 1.00 0.00 C ATOM 156 C ARG A 14 -4.476 -13.354 -0.919 1.00 0.00 C ATOM 157 O ARG A 14 -3.580 -14.089 -0.504 1.00 0.00 O ATOM 158 CB ARG A 14 -6.817 -14.125 -1.345 1.00 0.00 C ATOM 159 CG ARG A 14 -7.364 -13.187 -2.410 1.00 0.00 C ATOM 160 CD ARG A 14 -8.746 -13.619 -2.875 1.00 0.00 C ATOM 161 NE ARG A 14 -9.388 -12.598 -3.701 1.00 0.00 N ATOM 162 CZ ARG A 14 -9.013 -12.314 -4.943 1.00 0.00 C ATOM 163 NH1 ARG A 14 -8.005 -12.969 -5.500 1.00 0.00 N ATOM 164 NH2 ARG A 14 -9.648 -11.372 -5.629 1.00 0.00 N ATOM 0 H ARG A 14 -7.396 -11.997 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.852 -14.029 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.278 -14.938 -1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.651 -14.574 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.413 -12.173 -2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.683 -13.164 -3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.665 -14.546 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.371 -13.830 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.167 -12.075 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.515 -13.693 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.719 -12.749 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.424 -10.866 -5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.360 -11.154 -6.583 1.00 0.00 H new ATOM 178 N SER A 15 -4.287 -12.452 -1.877 1.00 0.00 N ATOM 179 CA SER A 15 -2.987 -12.273 -2.513 1.00 0.00 C ATOM 180 C SER A 15 -2.785 -10.822 -2.937 1.00 0.00 C ATOM 181 O SER A 15 -3.696 -10.000 -2.832 1.00 0.00 O ATOM 182 CB SER A 15 -2.858 -13.195 -3.727 1.00 0.00 C ATOM 183 OG SER A 15 -1.498 -13.468 -4.018 1.00 0.00 O ATOM 0 H SER A 15 -5.018 -11.834 -2.230 1.00 0.00 H new ATOM 0 HA SER A 15 -2.216 -12.531 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.387 -14.129 -3.536 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.332 -12.731 -4.592 1.00 0.00 H new ATOM 0 HG SER A 15 -1.443 -14.060 -4.797 1.00 0.00 H new ATOM 189 N TYR A 16 -1.587 -10.515 -3.420 1.00 0.00 N ATOM 190 CA TYR A 16 -1.263 -9.163 -3.859 1.00 0.00 C ATOM 191 C TYR A 16 0.065 -9.137 -4.609 1.00 0.00 C ATOM 192 O TYR A 16 0.949 -9.958 -4.360 1.00 0.00 O ATOM 193 CB TYR A 16 -1.202 -8.215 -2.660 1.00 0.00 C ATOM 194 CG TYR A 16 -0.309 -8.705 -1.545 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.071 -8.569 -1.621 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.844 -9.306 -0.412 1.00 0.00 C ATOM 197 CE1 TYR A 16 1.893 -9.017 -0.605 1.00 0.00 C ATOM 198 CE2 TYR A 16 -0.032 -9.756 0.611 1.00 0.00 C ATOM 199 CZ TYR A 16 1.337 -9.610 0.509 1.00 0.00 C ATOM 200 OH TYR A 16 2.150 -10.056 1.525 1.00 0.00 O ATOM 0 H TYR A 16 -0.824 -11.184 -3.518 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.049 -8.831 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.848 -7.240 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.210 -8.071 -2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.510 -8.104 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.914 -9.423 -0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.964 -8.904 -0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.465 -10.219 1.485 1.00 0.00 H new ATOM 0 HH TYR A 16 2.085 -9.444 2.288 1.00 0.00 H new ATOM 210 N LEU A 17 0.200 -8.188 -5.529 1.00 0.00 N ATOM 211 CA LEU A 17 1.421 -8.052 -6.317 1.00 0.00 C ATOM 212 C LEU A 17 2.652 -8.053 -5.417 1.00 0.00 C ATOM 213 O LEU A 17 3.445 -8.994 -5.436 1.00 0.00 O ATOM 214 CB LEU A 17 1.379 -6.764 -7.142 1.00 0.00 C ATOM 215 CG LEU A 17 0.198 -6.622 -8.103 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.078 -5.156 -8.397 1.00 0.00 C ATOM 217 CD2 LEU A 17 0.468 -7.385 -9.393 1.00 0.00 C ATOM 0 H LEU A 17 -0.521 -7.501 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 17 1.486 -8.906 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.368 -5.917 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.301 -6.695 -7.719 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.686 -7.048 -7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.922 -5.075 -9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.314 -4.637 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.804 -4.704 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.382 -7.274 -10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.363 -6.987 -9.870 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.616 -8.441 -9.167 1.00 0.00 H new ATOM 229 N GLU A 18 2.803 -6.993 -4.629 1.00 0.00 N ATOM 230 CA GLU A 18 3.938 -6.872 -3.720 1.00 0.00 C ATOM 231 C GLU A 18 3.571 -6.036 -2.499 1.00 0.00 C ATOM 232 O GLU A 18 2.439 -5.566 -2.370 1.00 0.00 O ATOM 233 CB GLU A 18 5.132 -6.246 -4.443 1.00 0.00 C ATOM 234 CG GLU A 18 4.844 -4.868 -5.013 1.00 0.00 C ATOM 235 CD GLU A 18 5.946 -4.374 -5.929 1.00 0.00 C ATOM 236 OE1 GLU A 18 6.358 -5.137 -6.827 1.00 0.00 O ATOM 237 OE2 GLU A 18 6.398 -3.224 -5.749 1.00 0.00 O ATOM 0 H GLU A 18 2.155 -6.206 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 18 4.210 -7.872 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.970 -6.175 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.443 -6.907 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.904 -4.896 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.713 -4.160 -4.194 1.00 0.00 H new ATOM 244 N LYS A 19 4.534 -5.853 -1.603 1.00 0.00 N ATOM 245 CA LYS A 19 4.315 -5.073 -0.391 1.00 0.00 C ATOM 246 C LYS A 19 5.201 -3.830 -0.377 1.00 0.00 C ATOM 247 O LYS A 19 6.341 -3.862 -0.838 1.00 0.00 O ATOM 248 CB LYS A 19 4.597 -5.926 0.847 1.00 0.00 C ATOM 249 CG LYS A 19 4.393 -5.184 2.158 1.00 0.00 C ATOM 250 CD LYS A 19 5.295 -5.728 3.253 1.00 0.00 C ATOM 251 CE LYS A 19 4.759 -7.033 3.820 1.00 0.00 C ATOM 252 NZ LYS A 19 5.381 -7.364 5.132 1.00 0.00 N ATOM 0 H LYS A 19 5.475 -6.235 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 19 3.272 -4.756 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.948 -6.801 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.624 -6.290 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.596 -4.123 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.351 -5.270 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.297 -5.888 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.383 -4.992 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.678 -6.961 3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.949 -7.841 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.990 -8.260 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.410 -7.458 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.178 -6.605 5.814 1.00 0.00 H new ATOM 266 N VAL A 20 4.669 -2.737 0.160 1.00 0.00 N ATOM 267 CA VAL A 20 5.410 -1.484 0.236 1.00 0.00 C ATOM 268 C VAL A 20 5.407 -0.929 1.656 1.00 0.00 C ATOM 269 O VAL A 20 4.689 -1.423 2.526 1.00 0.00 O ATOM 270 CB VAL A 20 4.826 -0.425 -0.718 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.132 -0.783 -2.165 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.327 -0.283 -0.501 1.00 0.00 C ATOM 0 H VAL A 20 3.727 -2.694 0.549 1.00 0.00 H new ATOM 0 HA VAL A 20 6.434 -1.705 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 20 5.295 0.535 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.712 -0.024 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.212 -0.830 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.692 -1.752 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.930 0.469 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.840 -1.239 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.136 0.023 0.528 1.00 0.00 H new ATOM 282 N VAL A 21 6.215 0.102 1.886 1.00 0.00 N ATOM 283 CA VAL A 21 6.304 0.726 3.200 1.00 0.00 C ATOM 284 C VAL A 21 6.321 2.246 3.087 1.00 0.00 C ATOM 285 O VAL A 21 7.129 2.814 2.351 1.00 0.00 O ATOM 286 CB VAL A 21 7.563 0.263 3.957 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.805 0.923 3.378 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.433 0.564 5.442 1.00 0.00 C ATOM 0 H VAL A 21 6.817 0.522 1.178 1.00 0.00 H new ATOM 0 HA VAL A 21 5.420 0.417 3.758 1.00 0.00 H new ATOM 0 HB VAL A 21 7.663 -0.816 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.685 0.585 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.904 0.652 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.717 2.006 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.332 0.230 5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.308 1.637 5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.566 0.041 5.845 1.00 0.00 H new ATOM 298 N ALA A 22 5.426 2.898 3.821 1.00 0.00 N ATOM 299 CA ALA A 22 5.341 4.353 3.806 1.00 0.00 C ATOM 300 C ALA A 22 6.511 4.980 4.558 1.00 0.00 C ATOM 301 O ALA A 22 6.617 4.850 5.777 1.00 0.00 O ATOM 302 CB ALA A 22 4.018 4.811 4.405 1.00 0.00 C ATOM 0 H ALA A 22 4.750 2.442 4.433 1.00 0.00 H new ATOM 0 HA ALA A 22 5.391 4.684 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.968 5.900 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.193 4.401 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.944 4.461 5.435 1.00 0.00 H new ATOM 308 N ILE A 23 7.385 5.659 3.823 1.00 0.00 N ATOM 309 CA ILE A 23 8.545 6.306 4.422 1.00 0.00 C ATOM 310 C ILE A 23 8.244 7.758 4.776 1.00 0.00 C ATOM 311 O ILE A 23 9.051 8.432 5.415 1.00 0.00 O ATOM 312 CB ILE A 23 9.763 6.260 3.480 1.00 0.00 C ATOM 313 CG1 ILE A 23 9.355 6.673 2.063 1.00 0.00 C ATOM 314 CG2 ILE A 23 10.378 4.869 3.477 1.00 0.00 C ATOM 315 CD1 ILE A 23 10.531 6.956 1.155 1.00 0.00 C ATOM 0 H ILE A 23 7.312 5.775 2.812 1.00 0.00 H new ATOM 0 HA ILE A 23 8.779 5.755 5.333 1.00 0.00 H new ATOM 0 HB ILE A 23 10.511 6.965 3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.748 5.881 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.727 7.562 2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.237 4.853 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.700 4.611 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.638 4.145 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.168 7.243 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.126 7.768 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.148 6.061 1.069 1.00 0.00 H new ATOM 327 N TYR A 24 7.077 8.233 4.355 1.00 0.00 N ATOM 328 CA TYR A 24 6.669 9.606 4.627 1.00 0.00 C ATOM 329 C TYR A 24 5.204 9.666 5.053 1.00 0.00 C ATOM 330 O TYR A 24 4.460 8.699 4.891 1.00 0.00 O ATOM 331 CB TYR A 24 6.887 10.480 3.391 1.00 0.00 C ATOM 332 CG TYR A 24 8.315 10.479 2.894 1.00 0.00 C ATOM 333 CD1 TYR A 24 9.368 10.786 3.746 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.611 10.172 1.571 1.00 0.00 C ATOM 335 CE1 TYR A 24 10.674 10.787 3.297 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.914 10.170 1.112 1.00 0.00 C ATOM 337 CZ TYR A 24 10.943 10.478 1.979 1.00 0.00 C ATOM 338 OH TYR A 24 12.242 10.478 1.526 1.00 0.00 O ATOM 0 H TYR A 24 6.397 7.688 3.824 1.00 0.00 H new ATOM 0 HA TYR A 24 7.283 9.984 5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.232 10.134 2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.593 11.503 3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.162 11.028 4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.808 9.931 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.481 11.028 3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.126 9.929 0.081 1.00 0.00 H new ATOM 0 HH TYR A 24 12.257 10.238 0.576 1.00 0.00 H new ATOM 348 N ASP A 25 4.799 10.807 5.597 1.00 0.00 N ATOM 349 CA ASP A 25 3.423 10.995 6.045 1.00 0.00 C ATOM 350 C ASP A 25 2.533 11.443 4.890 1.00 0.00 C ATOM 351 O ASP A 25 2.948 12.232 4.042 1.00 0.00 O ATOM 352 CB ASP A 25 3.370 12.022 7.177 1.00 0.00 C ATOM 353 CG ASP A 25 2.039 12.013 7.904 1.00 0.00 C ATOM 354 OD1 ASP A 25 1.008 12.306 7.260 1.00 0.00 O ATOM 355 OD2 ASP A 25 2.028 11.713 9.115 1.00 0.00 O ATOM 0 H ASP A 25 5.403 11.617 5.739 1.00 0.00 H new ATOM 0 HA ASP A 25 3.052 10.039 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.171 11.817 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.552 13.017 6.770 1.00 0.00 H new ATOM 360 N TYR A 26 1.306 10.933 4.864 1.00 0.00 N ATOM 361 CA TYR A 26 0.357 11.277 3.812 1.00 0.00 C ATOM 362 C TYR A 26 -1.078 11.170 4.317 1.00 0.00 C ATOM 363 O TYR A 26 -1.534 10.095 4.709 1.00 0.00 O ATOM 364 CB TYR A 26 0.553 10.364 2.602 1.00 0.00 C ATOM 365 CG TYR A 26 -0.395 10.660 1.461 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.119 11.670 0.546 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.565 9.930 1.297 1.00 0.00 C ATOM 368 CE1 TYR A 26 -0.982 11.943 -0.497 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.434 10.195 0.256 1.00 0.00 C ATOM 370 CZ TYR A 26 -2.139 11.203 -0.638 1.00 0.00 C ATOM 371 OH TYR A 26 -3.001 11.473 -1.676 1.00 0.00 O ATOM 0 H TYR A 26 0.946 10.280 5.560 1.00 0.00 H new ATOM 0 HA TYR A 26 0.542 12.309 3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.579 10.462 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.421 9.328 2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.785 12.251 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.800 9.141 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.753 12.731 -1.199 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.339 9.616 0.143 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.924 11.331 -1.380 1.00 0.00 H new ATOM 381 N THR A 27 -1.788 12.294 4.304 1.00 0.00 N ATOM 382 CA THR A 27 -3.173 12.329 4.761 1.00 0.00 C ATOM 383 C THR A 27 -4.138 12.413 3.584 1.00 0.00 C ATOM 384 O THR A 27 -4.195 13.425 2.884 1.00 0.00 O ATOM 385 CB THR A 27 -3.423 13.522 5.702 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.536 13.457 6.823 1.00 0.00 O ATOM 387 CG2 THR A 27 -4.865 13.533 6.190 1.00 0.00 C ATOM 0 H THR A 27 -1.427 13.192 3.982 1.00 0.00 H new ATOM 0 HA THR A 27 -3.350 11.402 5.307 1.00 0.00 H new ATOM 0 HB THR A 27 -3.237 14.440 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.701 14.220 7.415 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.018 14.384 6.853 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.538 13.613 5.336 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.073 12.610 6.731 1.00 0.00 H new ATOM 395 N LYS A 28 -4.897 11.343 3.370 1.00 0.00 N ATOM 396 CA LYS A 28 -5.862 11.296 2.279 1.00 0.00 C ATOM 397 C LYS A 28 -6.648 12.600 2.188 1.00 0.00 C ATOM 398 O LYS A 28 -6.861 13.277 3.195 1.00 0.00 O ATOM 399 CB LYS A 28 -6.824 10.121 2.471 1.00 0.00 C ATOM 400 CG LYS A 28 -8.034 10.461 3.324 1.00 0.00 C ATOM 401 CD LYS A 28 -9.144 11.086 2.495 1.00 0.00 C ATOM 402 CE LYS A 28 -10.512 10.823 3.107 1.00 0.00 C ATOM 403 NZ LYS A 28 -10.515 11.054 4.577 1.00 0.00 N ATOM 0 H LYS A 28 -4.862 10.497 3.938 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.312 11.159 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.163 9.776 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.286 9.293 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.405 9.557 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.740 11.149 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.980 12.161 2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.114 10.684 1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.251 11.471 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.811 9.795 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.496 11.115 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.032 10.266 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.019 11.943 4.790 1.00 0.00 H new ATOM 417 N ASP A 29 -7.074 12.947 0.980 1.00 0.00 N ATOM 418 CA ASP A 29 -7.838 14.170 0.759 1.00 0.00 C ATOM 419 C ASP A 29 -9.246 13.850 0.268 1.00 0.00 C ATOM 420 O ASP A 29 -10.229 14.398 0.766 1.00 0.00 O ATOM 421 CB ASP A 29 -7.123 15.067 -0.252 1.00 0.00 C ATOM 422 CG ASP A 29 -7.656 16.487 -0.243 1.00 0.00 C ATOM 423 OD1 ASP A 29 -8.856 16.670 -0.533 1.00 0.00 O ATOM 424 OD2 ASP A 29 -6.872 17.414 0.052 1.00 0.00 O ATOM 0 H ASP A 29 -6.904 12.399 0.137 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.916 14.698 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.056 15.081 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.236 14.646 -1.251 1.00 0.00 H new ATOM 429 N LYS A 30 -9.336 12.959 -0.714 1.00 0.00 N ATOM 430 CA LYS A 30 -10.623 12.565 -1.274 1.00 0.00 C ATOM 431 C LYS A 30 -11.044 11.192 -0.759 1.00 0.00 C ATOM 432 O LYS A 30 -10.200 10.345 -0.465 1.00 0.00 O ATOM 433 CB LYS A 30 -10.554 12.549 -2.803 1.00 0.00 C ATOM 434 CG LYS A 30 -9.767 13.707 -3.389 1.00 0.00 C ATOM 435 CD LYS A 30 -10.617 14.961 -3.495 1.00 0.00 C ATOM 436 CE LYS A 30 -11.461 14.957 -4.762 1.00 0.00 C ATOM 437 NZ LYS A 30 -12.765 14.269 -4.558 1.00 0.00 N ATOM 0 H LYS A 30 -8.532 12.496 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.367 13.296 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.102 11.612 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.567 12.570 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.896 13.908 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.396 13.433 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.267 15.036 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.973 15.840 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.638 15.983 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.911 14.463 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.503 14.754 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.690 13.281 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.015 14.291 -3.549 1.00 0.00 H new ATOM 451 N GLU A 31 -12.352 10.980 -0.652 1.00 0.00 N ATOM 452 CA GLU A 31 -12.882 9.709 -0.172 1.00 0.00 C ATOM 453 C GLU A 31 -12.221 8.537 -0.893 1.00 0.00 C ATOM 454 O GLU A 31 -12.109 7.441 -0.344 1.00 0.00 O ATOM 455 CB GLU A 31 -14.398 9.656 -0.373 1.00 0.00 C ATOM 456 CG GLU A 31 -15.168 10.573 0.565 1.00 0.00 C ATOM 457 CD GLU A 31 -15.191 10.062 1.992 1.00 0.00 C ATOM 458 OE1 GLU A 31 -15.300 8.833 2.181 1.00 0.00 O ATOM 459 OE2 GLU A 31 -15.098 10.892 2.920 1.00 0.00 O ATOM 0 H GLU A 31 -13.063 11.671 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.660 9.630 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.629 9.926 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.740 8.631 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.719 11.566 0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.191 10.679 0.205 1.00 0.00 H new ATOM 466 N ASP A 32 -11.789 8.777 -2.125 1.00 0.00 N ATOM 467 CA ASP A 32 -11.138 7.742 -2.922 1.00 0.00 C ATOM 468 C ASP A 32 -9.632 7.739 -2.683 1.00 0.00 C ATOM 469 O ASP A 32 -8.846 7.626 -3.624 1.00 0.00 O ATOM 470 CB ASP A 32 -11.432 7.953 -4.408 1.00 0.00 C ATOM 471 CG ASP A 32 -12.870 7.637 -4.764 1.00 0.00 C ATOM 472 OD1 ASP A 32 -13.168 6.455 -5.037 1.00 0.00 O ATOM 473 OD2 ASP A 32 -13.701 8.570 -4.772 1.00 0.00 O ATOM 0 H ASP A 32 -11.877 9.678 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.538 6.776 -2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.213 8.987 -4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.768 7.323 -5.000 1.00 0.00 H new ATOM 478 N GLU A 33 -9.237 7.864 -1.420 1.00 0.00 N ATOM 479 CA GLU A 33 -7.824 7.878 -1.059 1.00 0.00 C ATOM 480 C GLU A 33 -7.595 7.155 0.264 1.00 0.00 C ATOM 481 O GLU A 33 -8.518 6.983 1.060 1.00 0.00 O ATOM 482 CB GLU A 33 -7.313 9.317 -0.963 1.00 0.00 C ATOM 483 CG GLU A 33 -7.070 9.968 -2.313 1.00 0.00 C ATOM 484 CD GLU A 33 -6.488 11.364 -2.192 1.00 0.00 C ATOM 485 OE1 GLU A 33 -5.498 11.531 -1.449 1.00 0.00 O ATOM 486 OE2 GLU A 33 -7.022 12.288 -2.840 1.00 0.00 O ATOM 0 H GLU A 33 -9.875 7.957 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.270 7.356 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.036 9.914 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.384 9.326 -0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.392 9.345 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.010 10.017 -2.863 1.00 0.00 H new ATOM 493 N LEU A 34 -6.356 6.732 0.493 1.00 0.00 N ATOM 494 CA LEU A 34 -6.002 6.026 1.720 1.00 0.00 C ATOM 495 C LEU A 34 -4.985 6.823 2.533 1.00 0.00 C ATOM 496 O LEU A 34 -3.971 7.277 2.004 1.00 0.00 O ATOM 497 CB LEU A 34 -5.437 4.643 1.392 1.00 0.00 C ATOM 498 CG LEU A 34 -5.677 3.555 2.439 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.112 2.225 1.965 1.00 0.00 C ATOM 500 CD2 LEU A 34 -5.061 3.953 3.772 1.00 0.00 C ATOM 0 H LEU A 34 -5.580 6.866 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.907 5.910 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.867 4.311 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.362 4.739 1.236 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.752 3.441 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.292 1.462 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.599 1.934 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.040 2.324 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.241 3.167 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.987 4.095 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.512 4.883 4.118 1.00 0.00 H new ATOM 512 N SER A 35 -5.265 6.987 3.821 1.00 0.00 N ATOM 513 CA SER A 35 -4.376 7.729 4.708 1.00 0.00 C ATOM 514 C SER A 35 -3.465 6.782 5.482 1.00 0.00 C ATOM 515 O SER A 35 -3.871 5.683 5.863 1.00 0.00 O ATOM 516 CB SER A 35 -5.190 8.583 5.683 1.00 0.00 C ATOM 517 OG SER A 35 -4.349 9.443 6.431 1.00 0.00 O ATOM 0 H SER A 35 -6.100 6.616 4.274 1.00 0.00 H new ATOM 0 HA SER A 35 -3.755 8.382 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.921 9.174 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.748 7.936 6.360 1.00 0.00 H new ATOM 0 HG SER A 35 -4.893 9.979 7.045 1.00 0.00 H new ATOM 523 N PHE A 36 -2.230 7.215 5.712 1.00 0.00 N ATOM 524 CA PHE A 36 -1.258 6.406 6.440 1.00 0.00 C ATOM 525 C PHE A 36 -0.072 7.253 6.889 1.00 0.00 C ATOM 526 O PHE A 36 0.284 8.235 6.237 1.00 0.00 O ATOM 527 CB PHE A 36 -0.772 5.247 5.567 1.00 0.00 C ATOM 528 CG PHE A 36 -0.385 5.664 4.178 1.00 0.00 C ATOM 529 CD1 PHE A 36 0.794 6.359 3.952 1.00 0.00 C ATOM 530 CD2 PHE A 36 -1.197 5.364 3.098 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.153 6.745 2.675 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.843 5.746 1.818 1.00 0.00 C ATOM 533 CZ PHE A 36 0.334 6.437 1.606 1.00 0.00 C ATOM 0 H PHE A 36 -1.878 8.122 5.405 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.749 6.003 7.326 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.085 4.775 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.558 4.494 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.439 6.601 4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.119 4.825 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.073 7.287 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.486 5.505 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.613 6.736 0.607 1.00 0.00 H new ATOM 543 N GLN A 37 0.537 6.866 8.005 1.00 0.00 N ATOM 544 CA GLN A 37 1.682 7.590 8.541 1.00 0.00 C ATOM 545 C GLN A 37 2.976 6.821 8.293 1.00 0.00 C ATOM 546 O GLN A 37 2.969 5.597 8.175 1.00 0.00 O ATOM 547 CB GLN A 37 1.500 7.839 10.039 1.00 0.00 C ATOM 548 CG GLN A 37 0.298 8.708 10.369 1.00 0.00 C ATOM 549 CD GLN A 37 -0.295 8.393 11.728 1.00 0.00 C ATOM 550 OE1 GLN A 37 -0.018 9.078 12.714 1.00 0.00 O ATOM 551 NE2 GLN A 37 -1.113 7.349 11.791 1.00 0.00 N ATOM 0 H GLN A 37 0.256 6.055 8.555 1.00 0.00 H new ATOM 0 HA GLN A 37 1.747 8.549 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.396 6.881 10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.399 8.313 10.432 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.594 9.757 10.340 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.466 8.571 9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.316 6.808 10.950 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.539 7.088 12.680 1.00 0.00 H new ATOM 560 N GLU A 38 4.087 7.549 8.219 1.00 0.00 N ATOM 561 CA GLU A 38 5.388 6.933 7.987 1.00 0.00 C ATOM 562 C GLU A 38 5.575 5.705 8.870 1.00 0.00 C ATOM 563 O GLU A 38 5.718 5.817 10.086 1.00 0.00 O ATOM 564 CB GLU A 38 6.508 7.942 8.252 1.00 0.00 C ATOM 565 CG GLU A 38 7.891 7.314 8.309 1.00 0.00 C ATOM 566 CD GLU A 38 8.960 8.298 8.741 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.170 8.451 9.962 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.588 8.917 7.856 1.00 0.00 O ATOM 0 H GLU A 38 4.112 8.564 8.316 1.00 0.00 H new ATOM 0 HA GLU A 38 5.431 6.617 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.495 8.701 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.311 8.452 9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.876 6.472 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.145 6.914 7.327 1.00 0.00 H new ATOM 575 N GLY A 39 5.572 4.529 8.247 1.00 0.00 N ATOM 576 CA GLY A 39 5.742 3.296 8.992 1.00 0.00 C ATOM 577 C GLY A 39 4.506 2.420 8.952 1.00 0.00 C ATOM 578 O GLY A 39 4.166 1.768 9.939 1.00 0.00 O ATOM 0 H GLY A 39 5.455 4.410 7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.589 2.743 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.983 3.532 10.029 1.00 0.00 H new ATOM 582 N ALA A 40 3.828 2.405 7.808 1.00 0.00 N ATOM 583 CA ALA A 40 2.623 1.604 7.643 1.00 0.00 C ATOM 584 C ALA A 40 2.801 0.564 6.542 1.00 0.00 C ATOM 585 O ALA A 40 3.428 0.834 5.517 1.00 0.00 O ATOM 586 CB ALA A 40 1.431 2.498 7.339 1.00 0.00 C ATOM 0 H ALA A 40 4.095 2.940 6.981 1.00 0.00 H new ATOM 0 HA ALA A 40 2.438 1.076 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.538 1.885 7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.282 3.198 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.617 3.053 6.419 1.00 0.00 H new ATOM 592 N ILE A 41 2.249 -0.625 6.762 1.00 0.00 N ATOM 593 CA ILE A 41 2.349 -1.704 5.787 1.00 0.00 C ATOM 594 C ILE A 41 1.156 -1.698 4.838 1.00 0.00 C ATOM 595 O ILE A 41 0.024 -1.961 5.245 1.00 0.00 O ATOM 596 CB ILE A 41 2.435 -3.079 6.476 1.00 0.00 C ATOM 597 CG1 ILE A 41 3.660 -3.139 7.391 1.00 0.00 C ATOM 598 CG2 ILE A 41 2.487 -4.190 5.438 1.00 0.00 C ATOM 599 CD1 ILE A 41 4.966 -3.284 6.643 1.00 0.00 C ATOM 0 H ILE A 41 1.729 -0.865 7.606 1.00 0.00 H new ATOM 0 HA ILE A 41 3.264 -1.533 5.219 1.00 0.00 H new ATOM 0 HB ILE A 41 1.542 -3.220 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.696 -2.233 7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.549 -3.978 8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.548 -5.155 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.587 -4.157 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.364 -4.055 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.791 -3.320 7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.950 -4.204 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.099 -2.433 5.976 1.00 0.00 H new ATOM 611 N ILE A 42 1.417 -1.397 3.570 1.00 0.00 N ATOM 612 CA ILE A 42 0.365 -1.360 2.561 1.00 0.00 C ATOM 613 C ILE A 42 0.586 -2.428 1.497 1.00 0.00 C ATOM 614 O ILE A 42 1.648 -2.492 0.878 1.00 0.00 O ATOM 615 CB ILE A 42 0.287 0.019 1.880 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.053 1.116 2.923 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.818 0.032 0.835 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.429 2.499 2.440 1.00 0.00 C ATOM 0 H ILE A 42 2.348 -1.175 3.217 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.575 -1.555 3.078 1.00 0.00 H new ATOM 0 HB ILE A 42 1.236 0.214 1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.998 1.114 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.629 0.884 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.861 1.013 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.613 -0.726 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.774 -0.182 1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.237 3.225 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.487 2.518 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.166 2.752 1.562 1.00 0.00 H new ATOM 630 N TYR A 43 -0.424 -3.264 1.287 1.00 0.00 N ATOM 631 CA TYR A 43 -0.340 -4.332 0.297 1.00 0.00 C ATOM 632 C TYR A 43 -0.812 -3.845 -1.069 1.00 0.00 C ATOM 633 O TYR A 43 -2.009 -3.666 -1.298 1.00 0.00 O ATOM 634 CB TYR A 43 -1.177 -5.534 0.739 1.00 0.00 C ATOM 635 CG TYR A 43 -0.596 -6.270 1.926 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.685 -6.806 1.877 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.330 -6.433 3.094 1.00 0.00 C ATOM 638 CE1 TYR A 43 1.219 -7.482 2.958 1.00 0.00 C ATOM 639 CE2 TYR A 43 -0.803 -7.105 4.181 1.00 0.00 C ATOM 640 CZ TYR A 43 0.471 -7.628 4.108 1.00 0.00 C ATOM 641 OH TYR A 43 0.999 -8.299 5.187 1.00 0.00 O ATOM 0 H TYR A 43 -1.311 -3.223 1.789 1.00 0.00 H new ATOM 0 HA TYR A 43 0.704 -4.636 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.182 -5.195 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.273 -6.227 -0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.274 -6.692 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.329 -6.028 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.216 -7.893 2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.386 -7.220 5.083 1.00 0.00 H new ATOM 0 HH TYR A 43 0.721 -9.238 5.156 1.00 0.00 H new ATOM 651 N VAL A 44 0.136 -3.635 -1.976 1.00 0.00 N ATOM 652 CA VAL A 44 -0.181 -3.171 -3.321 1.00 0.00 C ATOM 653 C VAL A 44 -0.928 -4.241 -4.109 1.00 0.00 C ATOM 654 O VAL A 44 -0.421 -5.343 -4.313 1.00 0.00 O ATOM 655 CB VAL A 44 1.092 -2.774 -4.093 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.737 -2.264 -5.482 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.880 -1.730 -3.317 1.00 0.00 C ATOM 0 H VAL A 44 1.131 -3.779 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.818 -2.293 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 44 1.719 -3.658 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.649 -1.988 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.218 -3.047 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.090 -1.391 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.776 -1.461 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.263 -0.843 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.166 -2.137 -2.347 1.00 0.00 H new ATOM 667 N ILE A 45 -2.136 -3.906 -4.552 1.00 0.00 N ATOM 668 CA ILE A 45 -2.951 -4.837 -5.320 1.00 0.00 C ATOM 669 C ILE A 45 -3.303 -4.262 -6.688 1.00 0.00 C ATOM 670 O ILE A 45 -3.742 -4.985 -7.583 1.00 0.00 O ATOM 671 CB ILE A 45 -4.252 -5.194 -4.576 1.00 0.00 C ATOM 672 CG1 ILE A 45 -4.937 -3.925 -4.067 1.00 0.00 C ATOM 673 CG2 ILE A 45 -3.960 -6.142 -3.422 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.379 -4.137 -3.662 1.00 0.00 C ATOM 0 H ILE A 45 -2.571 -2.997 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.357 -5.741 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.925 -5.696 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.381 -3.540 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.895 -3.162 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.889 -6.385 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.509 -7.057 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.272 -5.665 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.801 -3.195 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.949 -4.493 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.427 -4.876 -2.862 1.00 0.00 H new ATOM 686 N LYS A 46 -3.105 -2.958 -6.844 1.00 0.00 N ATOM 687 CA LYS A 46 -3.397 -2.284 -8.103 1.00 0.00 C ATOM 688 C LYS A 46 -2.243 -1.380 -8.517 1.00 0.00 C ATOM 689 O LYS A 46 -1.850 -0.476 -7.777 1.00 0.00 O ATOM 690 CB LYS A 46 -4.683 -1.463 -7.978 1.00 0.00 C ATOM 691 CG LYS A 46 -5.269 -1.044 -9.317 1.00 0.00 C ATOM 692 CD LYS A 46 -6.698 -0.552 -9.169 1.00 0.00 C ATOM 693 CE LYS A 46 -7.685 -1.709 -9.127 1.00 0.00 C ATOM 694 NZ LYS A 46 -9.053 -1.259 -8.750 1.00 0.00 N ATOM 0 H LYS A 46 -2.743 -2.346 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.531 -3.045 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.425 -2.046 -7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.479 -0.572 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.655 -0.256 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.243 -1.888 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.788 0.038 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.945 0.108 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.718 -2.193 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.339 -2.456 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.695 -2.077 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.027 -0.820 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.394 -0.566 -9.446 1.00 0.00 H new ATOM 708 N LYS A 47 -1.700 -1.627 -9.706 1.00 0.00 N ATOM 709 CA LYS A 47 -0.590 -0.833 -10.220 1.00 0.00 C ATOM 710 C LYS A 47 -1.012 -0.048 -11.459 1.00 0.00 C ATOM 711 O LYS A 47 -1.109 -0.601 -12.552 1.00 0.00 O ATOM 712 CB LYS A 47 0.599 -1.737 -10.556 1.00 0.00 C ATOM 713 CG LYS A 47 1.536 -1.969 -9.385 1.00 0.00 C ATOM 714 CD LYS A 47 2.580 -0.869 -9.280 1.00 0.00 C ATOM 715 CE LYS A 47 3.864 -1.378 -8.643 1.00 0.00 C ATOM 716 NZ LYS A 47 4.983 -0.408 -8.801 1.00 0.00 N ATOM 0 H LYS A 47 -2.011 -2.371 -10.331 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.292 -0.125 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.225 -2.699 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.161 -1.293 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.960 -2.015 -8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.032 -2.933 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.797 -0.475 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.182 -0.044 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.694 -1.567 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.142 -2.330 -9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.719 -0.608 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.387 -0.496 -9.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.626 0.559 -8.665 1.00 0.00 H new ATOM 730 N ASN A 48 -1.257 1.246 -11.277 1.00 0.00 N ATOM 731 CA ASN A 48 -1.667 2.107 -12.381 1.00 0.00 C ATOM 732 C ASN A 48 -0.454 2.737 -13.059 1.00 0.00 C ATOM 733 O ASN A 48 0.527 3.085 -12.400 1.00 0.00 O ATOM 734 CB ASN A 48 -2.610 3.201 -11.878 1.00 0.00 C ATOM 735 CG ASN A 48 -3.806 2.639 -11.137 1.00 0.00 C ATOM 736 OD1 ASN A 48 -4.338 1.589 -11.500 1.00 0.00 O ATOM 737 ND2 ASN A 48 -4.237 3.335 -10.092 1.00 0.00 N ATOM 0 H ASN A 48 -1.179 1.721 -10.377 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.191 1.493 -13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.062 3.874 -11.219 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.957 3.795 -12.724 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.039 3.005 -9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.766 4.200 -9.826 1.00 0.00 H new ATOM 744 N ASP A 49 -0.528 2.881 -14.377 1.00 0.00 N ATOM 745 CA ASP A 49 0.563 3.471 -15.144 1.00 0.00 C ATOM 746 C ASP A 49 1.172 4.655 -14.400 1.00 0.00 C ATOM 747 O ASP A 49 2.393 4.757 -14.269 1.00 0.00 O ATOM 748 CB ASP A 49 0.064 3.919 -16.519 1.00 0.00 C ATOM 749 CG ASP A 49 1.139 4.622 -17.324 1.00 0.00 C ATOM 750 OD1 ASP A 49 1.546 5.735 -16.928 1.00 0.00 O ATOM 751 OD2 ASP A 49 1.575 4.059 -18.350 1.00 0.00 O ATOM 0 H ASP A 49 -1.332 2.597 -14.937 1.00 0.00 H new ATOM 0 HA ASP A 49 1.334 2.712 -15.275 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.292 3.051 -17.074 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.787 4.588 -16.393 1.00 0.00 H new ATOM 756 N ASP A 50 0.316 5.549 -13.917 1.00 0.00 N ATOM 757 CA ASP A 50 0.770 6.725 -13.185 1.00 0.00 C ATOM 758 C ASP A 50 1.289 6.340 -11.804 1.00 0.00 C ATOM 759 O ASP A 50 1.319 5.164 -11.447 1.00 0.00 O ATOM 760 CB ASP A 50 -0.368 7.739 -13.053 1.00 0.00 C ATOM 761 CG ASP A 50 -0.885 8.208 -14.398 1.00 0.00 C ATOM 762 OD1 ASP A 50 -0.096 8.800 -15.166 1.00 0.00 O ATOM 763 OD2 ASP A 50 -2.079 7.982 -14.686 1.00 0.00 O ATOM 0 H ASP A 50 -0.697 5.481 -14.019 1.00 0.00 H new ATOM 0 HA ASP A 50 1.588 7.178 -13.745 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.186 7.291 -12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.020 8.599 -12.481 1.00 0.00 H new ATOM 768 N GLY A 51 1.695 7.342 -11.029 1.00 0.00 N ATOM 769 CA GLY A 51 2.208 7.088 -9.696 1.00 0.00 C ATOM 770 C GLY A 51 1.105 6.970 -8.663 1.00 0.00 C ATOM 771 O GLY A 51 1.028 7.772 -7.732 1.00 0.00 O ATOM 0 H GLY A 51 1.677 8.325 -11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.793 6.169 -9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.884 7.894 -9.411 1.00 0.00 H new ATOM 775 N TRP A 52 0.248 5.968 -8.828 1.00 0.00 N ATOM 776 CA TRP A 52 -0.859 5.751 -7.902 1.00 0.00 C ATOM 777 C TRP A 52 -1.252 4.278 -7.862 1.00 0.00 C ATOM 778 O TRP A 52 -1.654 3.705 -8.875 1.00 0.00 O ATOM 779 CB TRP A 52 -2.063 6.602 -8.305 1.00 0.00 C ATOM 780 CG TRP A 52 -1.829 8.075 -8.146 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.310 8.927 -9.078 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.105 8.866 -6.984 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.246 10.200 -8.566 1.00 0.00 N ATOM 784 CE2 TRP A 52 -1.728 10.190 -7.284 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.634 8.585 -5.722 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -1.865 11.227 -6.367 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -2.768 9.616 -4.813 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.385 10.924 -5.137 1.00 0.00 C ATOM 0 H TRP A 52 0.298 5.294 -9.592 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.531 6.049 -6.906 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.316 6.392 -9.344 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.923 6.311 -7.702 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.996 8.642 -10.071 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.896 11.020 -9.061 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.933 7.580 -5.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.571 12.236 -6.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.176 9.410 -3.834 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.502 11.708 -4.403 1.00 0.00 H new ATOM 799 N TYR A 53 -1.136 3.671 -6.687 1.00 0.00 N ATOM 800 CA TYR A 53 -1.477 2.264 -6.516 1.00 0.00 C ATOM 801 C TYR A 53 -2.572 2.091 -5.468 1.00 0.00 C ATOM 802 O TYR A 53 -2.803 2.978 -4.648 1.00 0.00 O ATOM 803 CB TYR A 53 -0.239 1.462 -6.113 1.00 0.00 C ATOM 804 CG TYR A 53 1.008 1.849 -6.875 1.00 0.00 C ATOM 805 CD1 TYR A 53 0.978 2.022 -8.254 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.216 2.042 -6.217 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.115 2.374 -8.955 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.358 2.397 -6.909 1.00 0.00 C ATOM 809 CZ TYR A 53 3.302 2.562 -8.277 1.00 0.00 C ATOM 810 OH TYR A 53 4.437 2.914 -8.971 1.00 0.00 O ATOM 0 H TYR A 53 -0.808 4.131 -5.838 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.850 1.890 -7.469 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.060 1.598 -5.046 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.436 0.402 -6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.049 1.879 -8.787 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.263 1.912 -5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.075 2.501 -10.027 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.289 2.544 -6.382 1.00 0.00 H new ATOM 0 HH TYR A 53 5.186 3.008 -8.346 1.00 0.00 H new ATOM 820 N GLU A 54 -3.241 0.944 -5.502 1.00 0.00 N ATOM 821 CA GLU A 54 -4.311 0.655 -4.555 1.00 0.00 C ATOM 822 C GLU A 54 -3.910 -0.471 -3.606 1.00 0.00 C ATOM 823 O GLU A 54 -3.561 -1.568 -4.039 1.00 0.00 O ATOM 824 CB GLU A 54 -5.593 0.275 -5.299 1.00 0.00 C ATOM 825 CG GLU A 54 -6.855 0.469 -4.475 1.00 0.00 C ATOM 826 CD GLU A 54 -7.987 -0.435 -4.923 1.00 0.00 C ATOM 827 OE1 GLU A 54 -7.702 -1.486 -5.534 1.00 0.00 O ATOM 828 OE2 GLU A 54 -9.159 -0.094 -4.659 1.00 0.00 O ATOM 0 H GLU A 54 -3.061 0.199 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.493 1.555 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.667 0.873 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.528 -0.768 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.633 0.275 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.175 1.509 -4.546 1.00 0.00 H new ATOM 835 N GLY A 55 -3.960 -0.188 -2.307 1.00 0.00 N ATOM 836 CA GLY A 55 -3.598 -1.185 -1.317 1.00 0.00 C ATOM 837 C GLY A 55 -4.593 -1.256 -0.176 1.00 0.00 C ATOM 838 O GLY A 55 -5.432 -0.369 -0.018 1.00 0.00 O ATOM 0 H GLY A 55 -4.245 0.713 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.530 -2.161 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.609 -0.956 -0.919 1.00 0.00 H new ATOM 842 N VAL A 56 -4.500 -2.315 0.624 1.00 0.00 N ATOM 843 CA VAL A 56 -5.399 -2.498 1.756 1.00 0.00 C ATOM 844 C VAL A 56 -4.674 -2.266 3.078 1.00 0.00 C ATOM 845 O VAL A 56 -3.656 -2.896 3.359 1.00 0.00 O ATOM 846 CB VAL A 56 -6.013 -3.911 1.763 1.00 0.00 C ATOM 847 CG1 VAL A 56 -6.943 -4.084 2.954 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.747 -4.179 0.458 1.00 0.00 C ATOM 0 H VAL A 56 -3.811 -3.058 0.508 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.196 -1.763 1.648 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.206 -4.638 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.367 -5.088 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.383 -3.938 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.747 -3.350 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.174 -5.181 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.545 -3.447 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.048 -4.101 -0.375 1.00 0.00 H new ATOM 858 N MET A 57 -5.206 -1.353 3.885 1.00 0.00 N ATOM 859 CA MET A 57 -4.609 -1.037 5.178 1.00 0.00 C ATOM 860 C MET A 57 -5.658 -1.081 6.284 1.00 0.00 C ATOM 861 O MET A 57 -6.496 -0.186 6.394 1.00 0.00 O ATOM 862 CB MET A 57 -3.951 0.343 5.136 1.00 0.00 C ATOM 863 CG MET A 57 -2.903 0.549 6.218 1.00 0.00 C ATOM 864 SD MET A 57 -3.625 1.008 7.805 1.00 0.00 S ATOM 865 CE MET A 57 -3.571 2.796 7.698 1.00 0.00 C ATOM 0 H MET A 57 -6.048 -0.820 3.667 1.00 0.00 H new ATOM 0 HA MET A 57 -3.848 -1.787 5.393 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.487 0.486 4.160 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.722 1.107 5.238 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.325 -0.367 6.338 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.207 1.326 5.901 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.985 3.228 8.609 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.538 3.122 7.579 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.157 3.127 6.841 1.00 0.00 H new ATOM 875 N ASN A 58 -5.606 -2.126 7.104 1.00 0.00 N ATOM 876 CA ASN A 58 -6.551 -2.285 8.203 1.00 0.00 C ATOM 877 C ASN A 58 -7.980 -2.387 7.679 1.00 0.00 C ATOM 878 O ASN A 58 -8.908 -1.829 8.264 1.00 0.00 O ATOM 879 CB ASN A 58 -6.435 -1.111 9.177 1.00 0.00 C ATOM 880 CG ASN A 58 -6.965 -1.452 10.557 1.00 0.00 C ATOM 881 OD1 ASN A 58 -6.238 -1.969 11.404 1.00 0.00 O ATOM 882 ND2 ASN A 58 -8.241 -1.163 10.788 1.00 0.00 N ATOM 0 H ASN A 58 -4.919 -2.876 7.028 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.308 -3.209 8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.391 -0.809 9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.984 -0.257 8.780 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.654 -1.370 11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.807 -0.734 10.056 1.00 0.00 H new ATOM 889 N GLY A 59 -8.149 -3.101 6.571 1.00 0.00 N ATOM 890 CA GLY A 59 -9.468 -3.263 5.986 1.00 0.00 C ATOM 891 C GLY A 59 -9.845 -2.109 5.077 1.00 0.00 C ATOM 892 O GLY A 59 -10.595 -2.286 4.117 1.00 0.00 O ATOM 0 H GLY A 59 -7.396 -3.570 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.499 -4.193 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.207 -3.351 6.782 1.00 0.00 H new ATOM 896 N VAL A 60 -9.325 -0.924 5.380 1.00 0.00 N ATOM 897 CA VAL A 60 -9.611 0.263 4.584 1.00 0.00 C ATOM 898 C VAL A 60 -8.711 0.331 3.355 1.00 0.00 C ATOM 899 O VAL A 60 -7.492 0.450 3.470 1.00 0.00 O ATOM 900 CB VAL A 60 -9.430 1.549 5.410 1.00 0.00 C ATOM 901 CG1 VAL A 60 -9.682 2.778 4.548 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.352 1.541 6.621 1.00 0.00 C ATOM 0 H VAL A 60 -8.703 -0.761 6.172 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.651 0.187 4.266 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.400 1.588 5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.549 3.677 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.977 2.790 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.700 2.748 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.210 2.458 7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.388 1.477 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.119 0.682 7.250 1.00 0.00 H new ATOM 912 N THR A 61 -9.321 0.252 2.176 1.00 0.00 N ATOM 913 CA THR A 61 -8.576 0.304 0.925 1.00 0.00 C ATOM 914 C THR A 61 -8.835 1.611 0.184 1.00 0.00 C ATOM 915 O THR A 61 -9.949 2.135 0.199 1.00 0.00 O ATOM 916 CB THR A 61 -8.943 -0.876 0.004 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.071 -2.077 0.774 1.00 0.00 O ATOM 918 CG2 THR A 61 -7.887 -1.069 -1.074 1.00 0.00 C ATOM 0 H THR A 61 -10.330 0.152 2.062 1.00 0.00 H new ATOM 0 HA THR A 61 -7.519 0.240 1.184 1.00 0.00 H new ATOM 0 HB THR A 61 -9.895 -0.651 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.502 -2.769 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.167 -1.907 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.812 -0.164 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.924 -1.275 -0.607 1.00 0.00 H new ATOM 926 N GLY A 62 -7.798 2.134 -0.465 1.00 0.00 N ATOM 927 CA GLY A 62 -7.934 3.376 -1.203 1.00 0.00 C ATOM 928 C GLY A 62 -6.702 3.701 -2.021 1.00 0.00 C ATOM 929 O GLY A 62 -5.631 3.133 -1.799 1.00 0.00 O ATOM 0 H GLY A 62 -6.867 1.719 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.798 3.310 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.128 4.190 -0.505 1.00 0.00 H new ATOM 933 N LEU A 63 -6.851 4.617 -2.972 1.00 0.00 N ATOM 934 CA LEU A 63 -5.739 5.017 -3.830 1.00 0.00 C ATOM 935 C LEU A 63 -4.687 5.783 -3.036 1.00 0.00 C ATOM 936 O LEU A 63 -5.003 6.460 -2.057 1.00 0.00 O ATOM 937 CB LEU A 63 -6.248 5.878 -4.988 1.00 0.00 C ATOM 938 CG LEU A 63 -6.670 5.124 -6.249 1.00 0.00 C ATOM 939 CD1 LEU A 63 -5.453 4.752 -7.082 1.00 0.00 C ATOM 940 CD2 LEU A 63 -7.470 3.882 -5.885 1.00 0.00 C ATOM 0 H LEU A 63 -7.729 5.097 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.278 4.114 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.099 6.460 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.466 6.588 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.305 5.779 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.774 4.216 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.921 5.658 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.791 4.115 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.762 3.358 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.859 3.224 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.363 4.173 -5.332 1.00 0.00 H new ATOM 952 N PHE A 64 -3.434 5.672 -3.465 1.00 0.00 N ATOM 953 CA PHE A 64 -2.334 6.356 -2.794 1.00 0.00 C ATOM 954 C PHE A 64 -1.109 6.434 -3.700 1.00 0.00 C ATOM 955 O PHE A 64 -0.890 5.586 -4.566 1.00 0.00 O ATOM 956 CB PHE A 64 -1.974 5.635 -1.493 1.00 0.00 C ATOM 957 CG PHE A 64 -1.410 4.260 -1.707 1.00 0.00 C ATOM 958 CD1 PHE A 64 -0.167 4.090 -2.293 1.00 0.00 C ATOM 959 CD2 PHE A 64 -2.124 3.137 -1.321 1.00 0.00 C ATOM 960 CE1 PHE A 64 0.355 2.826 -2.491 1.00 0.00 C ATOM 961 CE2 PHE A 64 -1.607 1.869 -1.515 1.00 0.00 C ATOM 962 CZ PHE A 64 -0.367 1.714 -2.101 1.00 0.00 C ATOM 0 H PHE A 64 -3.155 5.116 -4.273 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.658 7.370 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.249 6.235 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.865 5.561 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.401 4.956 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.095 3.253 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.326 2.707 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.173 1.002 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.039 0.725 -2.255 1.00 0.00 H new ATOM 972 N PRO A 65 -0.290 7.478 -3.500 1.00 0.00 N ATOM 973 CA PRO A 65 0.926 7.693 -4.289 1.00 0.00 C ATOM 974 C PRO A 65 2.006 6.661 -3.981 1.00 0.00 C ATOM 975 O PRO A 65 2.248 6.330 -2.823 1.00 0.00 O ATOM 976 CB PRO A 65 1.383 9.089 -3.862 1.00 0.00 C ATOM 977 CG PRO A 65 0.816 9.273 -2.498 1.00 0.00 C ATOM 978 CD PRO A 65 -0.490 8.529 -2.488 1.00 0.00 C ATOM 0 HA PRO A 65 0.740 7.599 -5.359 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.470 9.164 -3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.017 9.852 -4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.493 8.883 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.665 10.330 -2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.705 8.106 -1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.326 9.180 -2.744 1.00 0.00 H new ATOM 986 N GLY A 66 2.654 6.158 -5.028 1.00 0.00 N ATOM 987 CA GLY A 66 3.701 5.170 -4.849 1.00 0.00 C ATOM 988 C GLY A 66 4.991 5.779 -4.336 1.00 0.00 C ATOM 989 O GLY A 66 5.646 5.215 -3.461 1.00 0.00 O ATOM 0 H GLY A 66 2.472 6.418 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.360 4.406 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.891 4.670 -5.799 1.00 0.00 H new ATOM 993 N ASN A 67 5.357 6.932 -4.885 1.00 0.00 N ATOM 994 CA ASN A 67 6.579 7.617 -4.480 1.00 0.00 C ATOM 995 C ASN A 67 6.641 7.769 -2.964 1.00 0.00 C ATOM 996 O ASN A 67 7.722 7.805 -2.376 1.00 0.00 O ATOM 997 CB ASN A 67 6.662 8.992 -5.145 1.00 0.00 C ATOM 998 CG ASN A 67 8.085 9.515 -5.217 1.00 0.00 C ATOM 999 OD1 ASN A 67 8.787 9.301 -6.204 1.00 0.00 O ATOM 1000 ND2 ASN A 67 8.515 10.204 -4.166 1.00 0.00 N ATOM 0 H ASN A 67 4.825 7.412 -5.611 1.00 0.00 H new ATOM 0 HA ASN A 67 7.427 7.013 -4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.249 8.931 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.046 9.699 -4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.463 10.580 -4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.897 10.357 -3.369 1.00 0.00 H new ATOM 1007 N TYR A 68 5.474 7.858 -2.335 1.00 0.00 N ATOM 1008 CA TYR A 68 5.394 8.007 -0.888 1.00 0.00 C ATOM 1009 C TYR A 68 5.784 6.710 -0.184 1.00 0.00 C ATOM 1010 O TYR A 68 6.307 6.728 0.931 1.00 0.00 O ATOM 1011 CB TYR A 68 3.981 8.420 -0.473 1.00 0.00 C ATOM 1012 CG TYR A 68 3.753 9.915 -0.503 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.770 10.615 -1.703 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.525 10.625 0.667 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.563 11.980 -1.736 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.317 11.992 0.645 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.337 12.665 -0.560 1.00 0.00 C ATOM 1018 OH TYR A 68 3.131 14.025 -0.586 1.00 0.00 O ATOM 0 H TYR A 68 4.570 7.829 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 68 6.095 8.787 -0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.262 7.938 -1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.785 8.051 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.948 10.083 -2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.510 10.101 1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.578 12.509 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.140 12.530 1.565 1.00 0.00 H new ATOM 0 HH TYR A 68 2.986 14.351 0.327 1.00 0.00 H new ATOM 1028 N VAL A 69 5.525 5.585 -0.843 1.00 0.00 N ATOM 1029 CA VAL A 69 5.849 4.279 -0.284 1.00 0.00 C ATOM 1030 C VAL A 69 7.000 3.628 -1.041 1.00 0.00 C ATOM 1031 O VAL A 69 7.047 3.664 -2.270 1.00 0.00 O ATOM 1032 CB VAL A 69 4.630 3.337 -0.313 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.465 3.948 0.448 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.235 3.024 -1.748 1.00 0.00 C ATOM 0 H VAL A 69 5.091 5.553 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 69 6.146 4.443 0.752 1.00 0.00 H new ATOM 0 HB VAL A 69 4.902 2.402 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.613 3.268 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.756 4.117 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.189 4.897 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.372 2.358 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.981 3.949 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.069 2.541 -2.258 1.00 0.00 H new ATOM 1044 N GLU A 70 7.927 3.029 -0.298 1.00 0.00 N ATOM 1045 CA GLU A 70 9.079 2.369 -0.900 1.00 0.00 C ATOM 1046 C GLU A 70 8.884 0.855 -0.932 1.00 0.00 C ATOM 1047 O GLU A 70 8.518 0.245 0.073 1.00 0.00 O ATOM 1048 CB GLU A 70 10.354 2.713 -0.130 1.00 0.00 C ATOM 1049 CG GLU A 70 11.618 2.613 -0.966 1.00 0.00 C ATOM 1050 CD GLU A 70 11.848 1.215 -1.509 1.00 0.00 C ATOM 1051 OE1 GLU A 70 12.375 0.367 -0.760 1.00 0.00 O ATOM 1052 OE2 GLU A 70 11.500 0.971 -2.683 1.00 0.00 O ATOM 0 H GLU A 70 7.902 2.988 0.721 1.00 0.00 H new ATOM 0 HA GLU A 70 9.175 2.728 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.268 3.726 0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.442 2.045 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.557 3.316 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.474 2.909 -0.360 1.00 0.00 H new ATOM 1059 N SER A 71 9.131 0.256 -2.091 1.00 0.00 N ATOM 1060 CA SER A 71 8.979 -1.185 -2.255 1.00 0.00 C ATOM 1061 C SER A 71 10.125 -1.933 -1.582 1.00 0.00 C ATOM 1062 O SER A 71 11.237 -1.987 -2.105 1.00 0.00 O ATOM 1063 CB SER A 71 8.922 -1.547 -3.741 1.00 0.00 C ATOM 1064 OG SER A 71 7.923 -0.799 -4.411 1.00 0.00 O ATOM 0 H SER A 71 9.438 0.746 -2.931 1.00 0.00 H new ATOM 0 HA SER A 71 8.045 -1.483 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.892 -1.359 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.718 -2.612 -3.851 1.00 0.00 H new ATOM 0 HG SER A 71 7.332 -1.408 -4.902 1.00 0.00 H new ATOM 1070 N ILE A 72 9.844 -2.507 -0.416 1.00 0.00 N ATOM 1071 CA ILE A 72 10.851 -3.253 0.329 1.00 0.00 C ATOM 1072 C ILE A 72 10.815 -4.734 -0.030 1.00 0.00 C ATOM 1073 O ILE A 72 11.717 -5.492 0.326 1.00 0.00 O ATOM 1074 CB ILE A 72 10.653 -3.098 1.849 1.00 0.00 C ATOM 1075 CG1 ILE A 72 9.225 -3.485 2.242 1.00 0.00 C ATOM 1076 CG2 ILE A 72 10.960 -1.673 2.281 1.00 0.00 C ATOM 1077 CD1 ILE A 72 9.011 -3.567 3.736 1.00 0.00 C ATOM 0 H ILE A 72 8.929 -2.470 0.032 1.00 0.00 H new ATOM 0 HA ILE A 72 11.821 -2.840 0.053 1.00 0.00 H new ATOM 0 HB ILE A 72 11.344 -3.768 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.531 -2.756 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.982 -4.449 1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.815 -1.580 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.993 -1.432 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 72 10.292 -0.984 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.977 -3.846 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.680 -4.317 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.222 -2.597 4.187 1.00 0.00 H new ATOM 1089 N SER A 73 9.765 -5.142 -0.738 1.00 0.00 N ATOM 1090 CA SER A 73 9.613 -6.533 -1.144 1.00 0.00 C ATOM 1091 C SER A 73 10.047 -6.728 -2.593 1.00 0.00 C ATOM 1092 O SER A 73 9.829 -5.862 -3.440 1.00 0.00 O ATOM 1093 CB SER A 73 8.158 -6.978 -0.972 1.00 0.00 C ATOM 1094 OG SER A 73 7.804 -7.042 0.400 1.00 0.00 O ATOM 0 H SER A 73 9.009 -4.529 -1.041 1.00 0.00 H new ATOM 0 HA SER A 73 10.253 -7.144 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.498 -6.282 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.016 -7.955 -1.434 1.00 0.00 H new ATOM 0 HG SER A 73 7.244 -7.831 0.557 1.00 0.00 H new ATOM 1100 N GLY A 74 10.664 -7.872 -2.871 1.00 0.00 N ATOM 1101 CA GLY A 74 11.120 -8.161 -4.217 1.00 0.00 C ATOM 1102 C GLY A 74 12.510 -7.621 -4.488 1.00 0.00 C ATOM 1103 O GLY A 74 13.263 -7.298 -3.569 1.00 0.00 O ATOM 0 H GLY A 74 10.856 -8.604 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.116 -9.240 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.421 -7.731 -4.934 1.00 0.00 H new ATOM 1107 N PRO A 75 12.871 -7.519 -5.776 1.00 0.00 N ATOM 1108 CA PRO A 75 14.182 -7.016 -6.193 1.00 0.00 C ATOM 1109 C PRO A 75 14.341 -5.522 -5.928 1.00 0.00 C ATOM 1110 O PRO A 75 13.871 -4.691 -6.705 1.00 0.00 O ATOM 1111 CB PRO A 75 14.208 -7.297 -7.697 1.00 0.00 C ATOM 1112 CG PRO A 75 12.775 -7.329 -8.101 1.00 0.00 C ATOM 1113 CD PRO A 75 12.025 -7.886 -6.923 1.00 0.00 C ATOM 0 HA PRO A 75 14.994 -7.491 -5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.754 -6.522 -8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.702 -8.244 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.418 -6.330 -8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.632 -7.952 -8.984 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.028 -7.454 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.900 -8.966 -7.001 1.00 0.00 H new ATOM 1121 N SER A 76 15.008 -5.189 -4.828 1.00 0.00 N ATOM 1122 CA SER A 76 15.226 -3.796 -4.459 1.00 0.00 C ATOM 1123 C SER A 76 16.649 -3.359 -4.797 1.00 0.00 C ATOM 1124 O SER A 76 17.617 -4.033 -4.443 1.00 0.00 O ATOM 1125 CB SER A 76 14.961 -3.593 -2.965 1.00 0.00 C ATOM 1126 OG SER A 76 15.098 -2.230 -2.602 1.00 0.00 O ATOM 0 H SER A 76 15.407 -5.865 -4.177 1.00 0.00 H new ATOM 0 HA SER A 76 14.530 -3.183 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 76 13.956 -3.938 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 76 15.656 -4.199 -2.384 1.00 0.00 H new ATOM 0 HG SER A 76 14.922 -2.127 -1.643 1.00 0.00 H new ATOM 1132 N SER A 77 16.767 -2.230 -5.488 1.00 0.00 N ATOM 1133 CA SER A 77 18.069 -1.705 -5.880 1.00 0.00 C ATOM 1134 C SER A 77 18.820 -1.157 -4.669 1.00 0.00 C ATOM 1135 O SER A 77 18.212 -0.741 -3.685 1.00 0.00 O ATOM 1136 CB SER A 77 17.905 -0.609 -6.933 1.00 0.00 C ATOM 1137 OG SER A 77 17.256 0.526 -6.389 1.00 0.00 O ATOM 0 H SER A 77 15.976 -1.661 -5.788 1.00 0.00 H new ATOM 0 HA SER A 77 18.650 -2.523 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 77 18.883 -0.322 -7.320 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.329 -0.992 -7.775 1.00 0.00 H new ATOM 0 HG SER A 77 17.164 1.214 -7.081 1.00 0.00 H new ATOM 1143 N GLY A 78 20.147 -1.159 -4.752 1.00 0.00 N ATOM 1144 CA GLY A 78 20.960 -0.659 -3.659 1.00 0.00 C ATOM 1145 C GLY A 78 22.371 -0.316 -4.095 1.00 0.00 C ATOM 1146 O GLY A 78 23.338 -0.658 -3.416 1.00 0.00 O ATOM 0 H GLY A 78 20.674 -1.498 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.488 0.228 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.999 -1.408 -2.868 1.00 0.00 H new TER 1150 GLY A 78