USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl -152:sc= -3.39! (180deg=-2.19) USER MOD Set 1.2: A 21 MET CE :methyl 179:sc= -3.93! (180deg=-3.85!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= -0.294 (180deg=-1.59!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 70:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -3.85! K(o=-3.9!,f=-0.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0871 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 36 THR OG1 : rot 71:sc= 0.885 USER MOD Single : A 37 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.418) USER MOD Single : A 38 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.22) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -80:sc= -1.14 USER MOD Single : A 49 GLN : amide:sc= -0.0989 K(o=-0.099,f=-0.69) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.245 -0.874 -11.548 1.00 0.14 N ATOM 2 CA GLY A 1 3.238 -1.066 -12.575 1.00 32.34 C ATOM 3 C GLY A 1 2.266 -2.178 -12.232 1.00 53.12 C ATOM 4 O GLY A 1 1.117 -1.935 -11.861 1.00 42.24 O ATOM 0 H1 GLY A 1 4.273 0.128 -11.272 1.00 0.14 H new ATOM 0 H2 GLY A 1 4.010 -1.455 -10.718 1.00 0.14 H new ATOM 0 H3 GLY A 1 5.175 -1.157 -11.917 1.00 0.14 H new ATOM 0 HA2 GLY A 1 2.687 -0.137 -12.717 1.00 32.34 H new ATOM 0 HA3 GLY A 1 3.728 -1.294 -13.522 1.00 32.34 H new ATOM 8 N PRO A 2 2.726 -3.431 -12.358 1.00 22.44 N ATOM 9 CA PRO A 2 1.905 -4.610 -12.065 1.00 15.55 C ATOM 10 C PRO A 2 1.617 -4.760 -10.575 1.00 0.34 C ATOM 11 O PRO A 2 2.164 -4.027 -9.749 1.00 50.13 O ATOM 12 CB PRO A 2 2.764 -5.774 -12.563 1.00 74.14 C ATOM 13 CG PRO A 2 4.163 -5.267 -12.499 1.00 20.43 C ATOM 14 CD PRO A 2 4.085 -3.795 -12.795 1.00 35.25 C ATOM 0 HA PRO A 2 0.925 -4.552 -12.540 1.00 15.55 H new ATOM 0 HB2 PRO A 2 2.634 -6.658 -11.938 1.00 74.14 H new ATOM 0 HB3 PRO A 2 2.493 -6.060 -13.579 1.00 74.14 H new ATOM 0 HG2 PRO A 2 4.598 -5.445 -11.515 1.00 20.43 H new ATOM 0 HG3 PRO A 2 4.797 -5.778 -13.224 1.00 20.43 H new ATOM 0 HD2 PRO A 2 4.846 -3.235 -12.251 1.00 35.25 H new ATOM 0 HD3 PRO A 2 4.235 -3.590 -13.855 1.00 35.25 H new ATOM 22 N LEU A 3 0.756 -5.713 -10.236 1.00 65.41 N ATOM 23 CA LEU A 3 0.397 -5.960 -8.844 1.00 75.31 C ATOM 24 C LEU A 3 0.246 -7.455 -8.577 1.00 40.44 C ATOM 25 O LEU A 3 -0.780 -8.053 -8.899 1.00 43.22 O ATOM 26 CB LEU A 3 -0.905 -5.235 -8.497 1.00 22.11 C ATOM 27 CG LEU A 3 -1.233 -5.121 -7.008 1.00 3.32 C ATOM 28 CD1 LEU A 3 -0.359 -4.065 -6.348 1.00 60.14 C ATOM 29 CD2 LEU A 3 -2.706 -4.796 -6.810 1.00 11.04 C ATOM 0 H LEU A 3 0.293 -6.327 -10.906 1.00 65.41 H new ATOM 0 HA LEU A 3 1.199 -5.576 -8.214 1.00 75.31 H new ATOM 0 HB2 LEU A 3 -0.861 -4.230 -8.917 1.00 22.11 H new ATOM 0 HB3 LEU A 3 -1.728 -5.751 -8.991 1.00 22.11 H new ATOM 0 HG LEU A 3 -1.026 -6.081 -6.536 1.00 3.32 H new ATOM 0 HD11 LEU A 3 -0.607 -3.998 -5.289 1.00 60.14 H new ATOM 0 HD12 LEU A 3 0.690 -4.340 -6.459 1.00 60.14 H new ATOM 0 HD13 LEU A 3 -0.533 -3.100 -6.823 1.00 60.14 H new ATOM 0 HD21 LEU A 3 -2.921 -4.719 -5.744 1.00 11.04 H new ATOM 0 HD22 LEU A 3 -2.938 -3.849 -7.297 1.00 11.04 H new ATOM 0 HD23 LEU A 3 -3.315 -5.587 -7.247 1.00 11.04 H new ATOM 41 N GLY A 4 1.276 -8.052 -7.985 1.00 12.42 N ATOM 42 CA GLY A 4 1.237 -9.471 -7.683 1.00 2.53 C ATOM 43 C GLY A 4 2.599 -10.021 -7.307 1.00 52.33 C ATOM 44 O GLY A 4 3.172 -10.829 -8.037 1.00 71.42 O ATOM 0 H GLY A 4 2.136 -7.579 -7.709 1.00 12.42 H new ATOM 0 HA2 GLY A 4 0.539 -9.646 -6.864 1.00 2.53 H new ATOM 0 HA3 GLY A 4 0.856 -10.013 -8.548 1.00 2.53 H new ATOM 48 N SER A 5 3.119 -9.580 -6.166 1.00 62.22 N ATOM 49 CA SER A 5 4.425 -10.030 -5.698 1.00 0.41 C ATOM 50 C SER A 5 4.278 -11.138 -4.660 1.00 12.13 C ATOM 51 O SER A 5 5.143 -12.004 -4.535 1.00 1.25 O ATOM 52 CB SER A 5 5.208 -8.858 -5.102 1.00 53.11 C ATOM 53 OG SER A 5 5.637 -7.964 -6.114 1.00 62.24 O ATOM 0 H SER A 5 2.657 -8.912 -5.549 1.00 62.22 H new ATOM 0 HA SER A 5 4.973 -10.427 -6.553 1.00 0.41 H new ATOM 0 HB2 SER A 5 4.583 -8.327 -4.384 1.00 53.11 H new ATOM 0 HB3 SER A 5 6.072 -9.235 -4.555 1.00 53.11 H new ATOM 0 HG SER A 5 6.133 -7.223 -5.707 1.00 62.24 H new ATOM 59 N GLU A 6 3.175 -11.103 -3.918 1.00 2.21 N ATOM 60 CA GLU A 6 2.915 -12.104 -2.890 1.00 12.51 C ATOM 61 C GLU A 6 1.997 -13.202 -3.420 1.00 5.12 C ATOM 62 O GLU A 6 1.481 -13.111 -4.533 1.00 43.41 O ATOM 63 CB GLU A 6 2.286 -11.449 -1.658 1.00 24.54 C ATOM 64 CG GLU A 6 3.301 -11.025 -0.610 1.00 3.33 C ATOM 65 CD GLU A 6 2.895 -9.757 0.116 1.00 13.12 C ATOM 66 OE1 GLU A 6 3.113 -8.659 -0.438 1.00 22.43 O ATOM 67 OE2 GLU A 6 2.357 -9.863 1.239 1.00 64.14 O ATOM 0 H GLU A 6 2.448 -10.393 -4.010 1.00 2.21 H new ATOM 0 HA GLU A 6 3.867 -12.555 -2.608 1.00 12.51 H new ATOM 0 HB2 GLU A 6 1.715 -10.576 -1.973 1.00 24.54 H new ATOM 0 HB3 GLU A 6 1.580 -12.146 -1.207 1.00 24.54 H new ATOM 0 HG2 GLU A 6 3.427 -11.829 0.115 1.00 3.33 H new ATOM 0 HG3 GLU A 6 4.269 -10.872 -1.088 1.00 3.33 H new ATOM 74 N ALA A 7 1.800 -14.240 -2.614 1.00 3.03 N ATOM 75 CA ALA A 7 0.945 -15.355 -3.000 1.00 31.22 C ATOM 76 C ALA A 7 0.421 -16.095 -1.774 1.00 21.43 C ATOM 77 O ALA A 7 0.667 -15.688 -0.639 1.00 5.35 O ATOM 78 CB ALA A 7 1.702 -16.310 -3.912 1.00 15.34 C ATOM 0 H ALA A 7 2.221 -14.332 -1.690 1.00 3.03 H new ATOM 0 HA ALA A 7 0.089 -14.953 -3.543 1.00 31.22 H new ATOM 0 HB1 ALA A 7 1.051 -17.138 -4.192 1.00 15.34 H new ATOM 0 HB2 ALA A 7 2.022 -15.780 -4.809 1.00 15.34 H new ATOM 0 HB3 ALA A 7 2.576 -16.697 -3.388 1.00 15.34 H new ATOM 84 N ASP A 8 -0.303 -17.184 -2.010 1.00 64.02 N ATOM 85 CA ASP A 8 -0.861 -17.982 -0.925 1.00 12.44 C ATOM 86 C ASP A 8 -0.428 -19.440 -1.043 1.00 55.42 C ATOM 87 O ASP A 8 -0.023 -19.908 -2.107 1.00 42.32 O ATOM 88 CB ASP A 8 -2.388 -17.888 -0.927 1.00 43.25 C ATOM 89 CG ASP A 8 -2.924 -17.133 0.273 1.00 3.11 C ATOM 90 OD1 ASP A 8 -2.223 -16.223 0.763 1.00 3.24 O ATOM 91 OD2 ASP A 8 -4.044 -17.452 0.722 1.00 55.53 O ATOM 0 H ASP A 8 -0.517 -17.534 -2.944 1.00 64.02 H new ATOM 0 HA ASP A 8 -0.482 -17.585 0.017 1.00 12.44 H new ATOM 0 HB2 ASP A 8 -2.717 -17.393 -1.841 1.00 43.25 H new ATOM 0 HB3 ASP A 8 -2.811 -18.893 -0.939 1.00 43.25 H new ATOM 96 N PRO A 9 -0.515 -20.176 0.075 1.00 51.33 N ATOM 97 CA PRO A 9 -0.137 -21.591 0.122 1.00 65.12 C ATOM 98 C PRO A 9 -1.106 -22.477 -0.653 1.00 50.45 C ATOM 99 O PRO A 9 -0.706 -23.476 -1.251 1.00 34.34 O ATOM 100 CB PRO A 9 -0.187 -21.922 1.615 1.00 34.44 C ATOM 101 CG PRO A 9 -1.149 -20.940 2.189 1.00 53.12 C ATOM 102 CD PRO A 9 -0.990 -19.683 1.379 1.00 61.13 C ATOM 0 HA PRO A 9 0.836 -21.768 -0.336 1.00 65.12 H new ATOM 0 HB2 PRO A 9 -0.520 -22.946 1.782 1.00 34.44 H new ATOM 0 HB3 PRO A 9 0.797 -21.827 2.075 1.00 34.44 H new ATOM 0 HG2 PRO A 9 -2.171 -21.315 2.131 1.00 53.12 H new ATOM 0 HG3 PRO A 9 -0.937 -20.755 3.242 1.00 53.12 H new ATOM 0 HD2 PRO A 9 -1.932 -19.143 1.286 1.00 61.13 H new ATOM 0 HD3 PRO A 9 -0.274 -18.999 1.835 1.00 61.13 H new ATOM 110 N ARG A 10 -2.381 -22.103 -0.640 1.00 53.15 N ATOM 111 CA ARG A 10 -3.408 -22.864 -1.342 1.00 62.21 C ATOM 112 C ARG A 10 -3.561 -22.375 -2.779 1.00 45.33 C ATOM 113 O ARG A 10 -4.493 -22.764 -3.483 1.00 73.13 O ATOM 114 CB ARG A 10 -4.746 -22.753 -0.609 1.00 41.22 C ATOM 115 CG ARG A 10 -4.676 -23.163 0.853 1.00 64.03 C ATOM 116 CD ARG A 10 -4.376 -24.647 1.001 1.00 11.52 C ATOM 117 NE ARG A 10 -5.171 -25.262 2.060 1.00 20.14 N ATOM 118 CZ ARG A 10 -6.483 -25.453 1.978 1.00 11.43 C ATOM 119 NH1 ARG A 10 -7.144 -25.078 0.892 1.00 50.22 N ATOM 120 NH2 ARG A 10 -7.137 -26.020 2.984 1.00 4.33 N ATOM 0 H ARG A 10 -2.728 -21.278 -0.151 1.00 53.15 H new ATOM 0 HA ARG A 10 -3.099 -23.909 -1.363 1.00 62.21 H new ATOM 0 HB2 ARG A 10 -5.101 -21.724 -0.672 1.00 41.22 H new ATOM 0 HB3 ARG A 10 -5.482 -23.376 -1.117 1.00 41.22 H new ATOM 0 HG2 ARG A 10 -3.904 -22.582 1.358 1.00 64.03 H new ATOM 0 HG3 ARG A 10 -5.622 -22.931 1.343 1.00 64.03 H new ATOM 0 HD2 ARG A 10 -4.576 -25.153 0.057 1.00 11.52 H new ATOM 0 HD3 ARG A 10 -3.316 -24.783 1.217 1.00 11.52 H new ATOM 0 HE ARG A 10 -4.693 -25.561 2.910 1.00 20.14 H new ATOM 0 HH11 ARG A 10 -6.645 -24.642 0.117 1.00 50.22 H new ATOM 0 HH12 ARG A 10 -8.151 -25.226 0.832 1.00 50.22 H new ATOM 0 HH21 ARG A 10 -6.632 -26.310 3.822 1.00 4.33 H new ATOM 0 HH22 ARG A 10 -8.144 -26.166 2.920 1.00 4.33 H new ATOM 134 N LEU A 11 -2.639 -21.519 -3.208 1.00 74.13 N ATOM 135 CA LEU A 11 -2.671 -20.975 -4.562 1.00 34.43 C ATOM 136 C LEU A 11 -1.427 -21.385 -5.342 1.00 43.25 C ATOM 137 O LEU A 11 -1.519 -21.834 -6.485 1.00 42.45 O ATOM 138 CB LEU A 11 -2.781 -19.450 -4.517 1.00 62.34 C ATOM 139 CG LEU A 11 -2.597 -18.725 -5.851 1.00 74.20 C ATOM 140 CD1 LEU A 11 -3.799 -18.956 -6.754 1.00 32.11 C ATOM 141 CD2 LEU A 11 -2.378 -17.237 -5.623 1.00 45.20 C ATOM 0 H LEU A 11 -1.861 -21.187 -2.638 1.00 74.13 H new ATOM 0 HA LEU A 11 -3.546 -21.381 -5.071 1.00 34.43 H new ATOM 0 HB2 LEU A 11 -3.760 -19.188 -4.116 1.00 62.34 H new ATOM 0 HB3 LEU A 11 -2.037 -19.072 -3.815 1.00 62.34 H new ATOM 0 HG LEU A 11 -1.714 -19.131 -6.345 1.00 74.20 H new ATOM 0 HD11 LEU A 11 -3.650 -18.433 -7.699 1.00 32.11 H new ATOM 0 HD12 LEU A 11 -3.911 -20.023 -6.944 1.00 32.11 H new ATOM 0 HD13 LEU A 11 -4.698 -18.578 -6.267 1.00 32.11 H new ATOM 0 HD21 LEU A 11 -2.249 -16.737 -6.583 1.00 45.20 H new ATOM 0 HD22 LEU A 11 -3.242 -16.817 -5.108 1.00 45.20 H new ATOM 0 HD23 LEU A 11 -1.486 -17.090 -5.014 1.00 45.20 H new ATOM 153 N ILE A 12 -0.265 -21.229 -4.717 1.00 64.13 N ATOM 154 CA ILE A 12 0.998 -21.586 -5.353 1.00 12.25 C ATOM 155 C ILE A 12 0.975 -23.027 -5.851 1.00 13.22 C ATOM 156 O ILE A 12 1.633 -23.364 -6.834 1.00 23.11 O ATOM 157 CB ILE A 12 2.184 -21.407 -4.387 1.00 22.52 C ATOM 158 CG1 ILE A 12 2.007 -22.299 -3.156 1.00 73.21 C ATOM 159 CG2 ILE A 12 2.318 -19.949 -3.976 1.00 11.22 C ATOM 160 CD1 ILE A 12 2.918 -23.506 -3.148 1.00 24.10 C ATOM 0 H ILE A 12 -0.171 -20.858 -3.771 1.00 64.13 H new ATOM 0 HA ILE A 12 1.126 -20.914 -6.201 1.00 12.25 H new ATOM 0 HB ILE A 12 3.099 -21.705 -4.900 1.00 22.52 H new ATOM 0 HG12 ILE A 12 2.193 -21.708 -2.259 1.00 73.21 H new ATOM 0 HG13 ILE A 12 0.971 -22.635 -3.107 1.00 73.21 H new ATOM 0 HG21 ILE A 12 3.161 -19.839 -3.293 1.00 11.22 H new ATOM 0 HG22 ILE A 12 2.486 -19.335 -4.861 1.00 11.22 H new ATOM 0 HG23 ILE A 12 1.404 -19.626 -3.479 1.00 11.22 H new ATOM 0 HD11 ILE A 12 2.738 -24.092 -2.247 1.00 24.10 H new ATOM 0 HD12 ILE A 12 2.717 -24.120 -4.026 1.00 24.10 H new ATOM 0 HD13 ILE A 12 3.957 -23.178 -3.165 1.00 24.10 H new ATOM 172 N GLU A 13 0.210 -23.872 -5.166 1.00 42.21 N ATOM 173 CA GLU A 13 0.101 -25.277 -5.541 1.00 14.14 C ATOM 174 C GLU A 13 -0.289 -25.420 -7.009 1.00 14.30 C ATOM 175 O GLU A 13 0.183 -26.320 -7.703 1.00 42.21 O ATOM 176 CB GLU A 13 -0.929 -25.984 -4.657 1.00 22.40 C ATOM 177 CG GLU A 13 -2.219 -25.202 -4.480 1.00 11.24 C ATOM 178 CD GLU A 13 -3.392 -26.088 -4.108 1.00 13.31 C ATOM 179 OE1 GLU A 13 -3.167 -27.286 -3.836 1.00 55.12 O ATOM 180 OE2 GLU A 13 -4.535 -25.584 -4.089 1.00 5.42 O ATOM 0 H GLU A 13 -0.342 -23.608 -4.350 1.00 42.21 H new ATOM 0 HA GLU A 13 1.076 -25.743 -5.396 1.00 14.14 H new ATOM 0 HB2 GLU A 13 -1.161 -26.957 -5.091 1.00 22.40 H new ATOM 0 HB3 GLU A 13 -0.489 -26.168 -3.677 1.00 22.40 H new ATOM 0 HG2 GLU A 13 -2.079 -24.447 -3.706 1.00 11.24 H new ATOM 0 HG3 GLU A 13 -2.448 -24.672 -5.404 1.00 11.24 H new ATOM 187 N SER A 14 -1.155 -24.525 -7.475 1.00 34.41 N ATOM 188 CA SER A 14 -1.613 -24.554 -8.859 1.00 51.31 C ATOM 189 C SER A 14 -0.569 -23.944 -9.789 1.00 42.41 C ATOM 190 O SER A 14 -0.193 -24.542 -10.798 1.00 30.42 O ATOM 191 CB SER A 14 -2.937 -23.800 -8.996 1.00 52.41 C ATOM 192 OG SER A 14 -3.991 -24.499 -8.356 1.00 43.32 O ATOM 0 H SER A 14 -1.553 -23.771 -6.915 1.00 34.41 H new ATOM 0 HA SER A 14 -1.765 -25.595 -9.144 1.00 51.31 H new ATOM 0 HB2 SER A 14 -2.839 -22.805 -8.561 1.00 52.41 H new ATOM 0 HB3 SER A 14 -3.174 -23.664 -10.051 1.00 52.41 H new ATOM 0 HG SER A 14 -3.865 -24.463 -7.385 1.00 43.32 H new ATOM 198 N LEU A 15 -0.104 -22.748 -9.443 1.00 22.42 N ATOM 199 CA LEU A 15 0.898 -22.055 -10.246 1.00 32.15 C ATOM 200 C LEU A 15 2.071 -22.976 -10.567 1.00 55.12 C ATOM 201 O LEU A 15 2.575 -22.986 -11.690 1.00 10.10 O ATOM 202 CB LEU A 15 1.398 -20.811 -9.509 1.00 63.23 C ATOM 203 CG LEU A 15 0.415 -19.644 -9.419 1.00 11.24 C ATOM 204 CD1 LEU A 15 0.304 -19.150 -7.985 1.00 13.44 C ATOM 205 CD2 LEU A 15 0.843 -18.513 -10.343 1.00 12.03 C ATOM 0 H LEU A 15 -0.405 -22.238 -8.612 1.00 22.42 H new ATOM 0 HA LEU A 15 0.431 -21.752 -11.183 1.00 32.15 H new ATOM 0 HB2 LEU A 15 1.680 -21.102 -8.497 1.00 63.23 H new ATOM 0 HB3 LEU A 15 2.304 -20.460 -10.003 1.00 63.23 H new ATOM 0 HG LEU A 15 -0.566 -19.995 -9.738 1.00 11.24 H new ATOM 0 HD11 LEU A 15 -0.400 -18.319 -7.940 1.00 13.44 H new ATOM 0 HD12 LEU A 15 -0.050 -19.960 -7.347 1.00 13.44 H new ATOM 0 HD13 LEU A 15 1.282 -18.816 -7.638 1.00 13.44 H new ATOM 0 HD21 LEU A 15 0.131 -17.691 -10.266 1.00 12.03 H new ATOM 0 HD22 LEU A 15 1.834 -18.163 -10.055 1.00 12.03 H new ATOM 0 HD23 LEU A 15 0.870 -18.874 -11.371 1.00 12.03 H new ATOM 217 N SER A 16 2.498 -23.750 -9.575 1.00 2.23 N ATOM 218 CA SER A 16 3.613 -24.673 -9.751 1.00 74.44 C ATOM 219 C SER A 16 3.389 -25.568 -10.967 1.00 43.10 C ATOM 220 O SER A 16 4.339 -25.960 -11.645 1.00 11.34 O ATOM 221 CB SER A 16 3.794 -25.532 -8.498 1.00 62.45 C ATOM 222 OG SER A 16 5.163 -25.820 -8.271 1.00 41.13 O ATOM 0 H SER A 16 2.089 -23.756 -8.641 1.00 2.23 H new ATOM 0 HA SER A 16 4.517 -24.086 -9.914 1.00 74.44 H new ATOM 0 HB2 SER A 16 3.380 -25.012 -7.634 1.00 62.45 H new ATOM 0 HB3 SER A 16 3.237 -26.462 -8.607 1.00 62.45 H new ATOM 0 HG SER A 16 5.252 -26.369 -7.464 1.00 41.13 H new ATOM 228 N GLN A 17 2.127 -25.886 -11.236 1.00 22.44 N ATOM 229 CA GLN A 17 1.779 -26.735 -12.369 1.00 34.23 C ATOM 230 C GLN A 17 1.714 -25.923 -13.658 1.00 1.11 C ATOM 231 O GLN A 17 2.136 -26.387 -14.717 1.00 12.22 O ATOM 232 CB GLN A 17 0.437 -27.428 -12.121 1.00 4.33 C ATOM 233 CG GLN A 17 0.282 -27.965 -10.707 1.00 42.20 C ATOM 234 CD GLN A 17 -0.089 -29.434 -10.678 1.00 74.25 C ATOM 235 OE1 GLN A 17 0.465 -30.212 -9.901 1.00 10.41 O ATOM 236 NE2 GLN A 17 -1.033 -29.823 -11.528 1.00 65.24 N ATOM 0 H GLN A 17 1.329 -25.569 -10.685 1.00 22.44 H new ATOM 0 HA GLN A 17 2.557 -27.491 -12.476 1.00 34.23 H new ATOM 0 HB2 GLN A 17 -0.369 -26.723 -12.324 1.00 4.33 H new ATOM 0 HB3 GLN A 17 0.326 -28.251 -12.827 1.00 4.33 H new ATOM 0 HG2 GLN A 17 1.215 -27.819 -10.163 1.00 42.20 H new ATOM 0 HG3 GLN A 17 -0.484 -27.390 -10.186 1.00 42.20 H new ATOM 0 HE21 GLN A 17 -1.466 -29.145 -12.155 1.00 65.24 H new ATOM 0 HE22 GLN A 17 -1.325 -30.800 -11.554 1.00 65.24 H new ATOM 245 N MET A 18 1.183 -24.708 -13.560 1.00 60.53 N ATOM 246 CA MET A 18 1.064 -23.831 -14.719 1.00 63.32 C ATOM 247 C MET A 18 2.440 -23.428 -15.239 1.00 5.42 C ATOM 248 O MET A 18 2.735 -23.576 -16.425 1.00 65.44 O ATOM 249 CB MET A 18 0.255 -22.583 -14.360 1.00 65.34 C ATOM 250 CG MET A 18 -1.079 -22.893 -13.702 1.00 53.41 C ATOM 251 SD MET A 18 -2.482 -22.560 -14.786 1.00 23.34 S ATOM 252 CE MET A 18 -1.975 -23.425 -16.270 1.00 31.10 C ATOM 0 H MET A 18 0.829 -24.309 -12.691 1.00 60.53 H new ATOM 0 HA MET A 18 0.544 -24.378 -15.506 1.00 63.32 H new ATOM 0 HB2 MET A 18 0.845 -21.958 -13.690 1.00 65.34 H new ATOM 0 HB3 MET A 18 0.078 -22.002 -15.265 1.00 65.34 H new ATOM 0 HG2 MET A 18 -1.097 -23.941 -13.402 1.00 53.41 H new ATOM 0 HG3 MET A 18 -1.178 -22.300 -12.793 1.00 53.41 H new ATOM 0 HE1 MET A 18 -2.422 -22.946 -17.141 1.00 31.10 H new ATOM 0 HE2 MET A 18 -0.889 -23.394 -16.356 1.00 31.10 H new ATOM 0 HE3 MET A 18 -2.305 -24.462 -16.217 1.00 31.10 H new ATOM 262 N LEU A 19 3.279 -22.916 -14.344 1.00 71.42 N ATOM 263 CA LEU A 19 4.625 -22.491 -14.713 1.00 12.24 C ATOM 264 C LEU A 19 5.422 -23.652 -15.299 1.00 13.24 C ATOM 265 O LEU A 19 6.226 -23.467 -16.212 1.00 22.22 O ATOM 266 CB LEU A 19 5.353 -21.921 -13.494 1.00 34.55 C ATOM 267 CG LEU A 19 4.592 -20.865 -12.691 1.00 23.44 C ATOM 268 CD1 LEU A 19 5.088 -20.828 -11.253 1.00 64.05 C ATOM 269 CD2 LEU A 19 4.733 -19.497 -13.341 1.00 62.02 C ATOM 0 H LEU A 19 3.051 -22.785 -13.358 1.00 71.42 H new ATOM 0 HA LEU A 19 4.538 -21.714 -15.473 1.00 12.24 H new ATOM 0 HB2 LEU A 19 5.603 -22.746 -12.827 1.00 34.55 H new ATOM 0 HB3 LEU A 19 6.294 -21.485 -13.829 1.00 34.55 H new ATOM 0 HG LEU A 19 3.536 -21.134 -12.683 1.00 23.44 H new ATOM 0 HD11 LEU A 19 4.535 -20.071 -10.697 1.00 64.05 H new ATOM 0 HD12 LEU A 19 4.934 -21.803 -10.790 1.00 64.05 H new ATOM 0 HD13 LEU A 19 6.150 -20.584 -11.241 1.00 64.05 H new ATOM 0 HD21 LEU A 19 4.185 -18.758 -12.756 1.00 62.02 H new ATOM 0 HD22 LEU A 19 5.786 -19.220 -13.381 1.00 62.02 H new ATOM 0 HD23 LEU A 19 4.329 -19.531 -14.353 1.00 62.02 H new ATOM 281 N SER A 20 5.191 -24.849 -14.768 1.00 51.43 N ATOM 282 CA SER A 20 5.888 -26.040 -15.238 1.00 25.04 C ATOM 283 C SER A 20 5.292 -26.537 -16.551 1.00 43.43 C ATOM 284 O SER A 20 5.976 -27.167 -17.357 1.00 24.02 O ATOM 285 CB SER A 20 5.819 -27.146 -14.183 1.00 3.02 C ATOM 286 OG SER A 20 6.693 -28.214 -14.506 1.00 35.30 O ATOM 0 H SER A 20 4.527 -25.019 -14.013 1.00 51.43 H new ATOM 0 HA SER A 20 6.931 -25.775 -15.410 1.00 25.04 H new ATOM 0 HB2 SER A 20 6.083 -26.739 -13.207 1.00 3.02 H new ATOM 0 HB3 SER A 20 4.797 -27.518 -14.108 1.00 3.02 H new ATOM 0 HG SER A 20 6.632 -28.907 -13.816 1.00 35.30 H new ATOM 292 N MET A 21 4.012 -26.247 -16.759 1.00 70.15 N ATOM 293 CA MET A 21 3.323 -26.663 -17.976 1.00 11.24 C ATOM 294 C MET A 21 3.674 -25.743 -19.141 1.00 32.02 C ATOM 295 O MET A 21 3.660 -26.159 -20.299 1.00 13.15 O ATOM 296 CB MET A 21 1.809 -26.669 -17.753 1.00 43.41 C ATOM 297 CG MET A 21 1.242 -28.050 -17.472 1.00 34.31 C ATOM 298 SD MET A 21 -0.549 -28.036 -17.261 1.00 51.13 S ATOM 299 CE MET A 21 -0.731 -26.778 -15.999 1.00 74.30 C ATOM 0 H MET A 21 3.431 -25.726 -16.102 1.00 70.15 H new ATOM 0 HA MET A 21 3.651 -27.673 -18.223 1.00 11.24 H new ATOM 0 HB2 MET A 21 1.570 -26.010 -16.918 1.00 43.41 H new ATOM 0 HB3 MET A 21 1.319 -26.256 -18.635 1.00 43.41 H new ATOM 0 HG2 MET A 21 1.502 -28.719 -18.292 1.00 34.31 H new ATOM 0 HG3 MET A 21 1.707 -28.453 -16.572 1.00 34.31 H new ATOM 0 HE1 MET A 21 -1.788 -26.640 -15.772 1.00 74.30 H new ATOM 0 HE2 MET A 21 -0.204 -27.089 -15.097 1.00 74.30 H new ATOM 0 HE3 MET A 21 -0.312 -25.838 -16.359 1.00 74.30 H new ATOM 309 N GLY A 22 3.988 -24.490 -18.826 1.00 43.12 N ATOM 310 CA GLY A 22 4.338 -23.531 -19.858 1.00 71.42 C ATOM 311 C GLY A 22 3.562 -22.235 -19.732 1.00 64.10 C ATOM 312 O GLY A 22 2.988 -21.749 -20.707 1.00 25.11 O ATOM 0 H GLY A 22 4.006 -24.122 -17.875 1.00 43.12 H new ATOM 0 HA2 GLY A 22 5.406 -23.318 -19.805 1.00 71.42 H new ATOM 0 HA3 GLY A 22 4.149 -23.970 -20.837 1.00 71.42 H new ATOM 316 N PHE A 23 3.543 -21.674 -18.528 1.00 1.33 N ATOM 317 CA PHE A 23 2.830 -20.427 -18.277 1.00 14.03 C ATOM 318 C PHE A 23 3.613 -19.535 -17.318 1.00 24.31 C ATOM 319 O PHE A 23 4.696 -19.900 -16.859 1.00 12.31 O ATOM 320 CB PHE A 23 1.441 -20.716 -17.702 1.00 41.14 C ATOM 321 CG PHE A 23 0.531 -21.427 -18.663 1.00 23.11 C ATOM 322 CD1 PHE A 23 -0.267 -20.711 -19.541 1.00 30.35 C ATOM 323 CD2 PHE A 23 0.475 -22.811 -18.689 1.00 32.24 C ATOM 324 CE1 PHE A 23 -1.106 -21.363 -20.425 1.00 24.43 C ATOM 325 CE2 PHE A 23 -0.362 -23.469 -19.571 1.00 4.21 C ATOM 326 CZ PHE A 23 -1.152 -22.744 -20.441 1.00 10.32 C ATOM 0 H PHE A 23 4.013 -22.063 -17.711 1.00 1.33 H new ATOM 0 HA PHE A 23 2.722 -19.903 -19.226 1.00 14.03 H new ATOM 0 HB2 PHE A 23 1.548 -21.320 -16.801 1.00 41.14 H new ATOM 0 HB3 PHE A 23 0.977 -19.776 -17.403 1.00 41.14 H new ATOM 0 HD1 PHE A 23 -0.233 -19.632 -19.534 1.00 30.35 H new ATOM 0 HD2 PHE A 23 1.093 -23.383 -18.012 1.00 32.24 H new ATOM 0 HE1 PHE A 23 -1.725 -20.794 -21.103 1.00 24.43 H new ATOM 0 HE2 PHE A 23 -0.398 -24.548 -19.579 1.00 4.21 H new ATOM 0 HZ PHE A 23 -1.805 -23.255 -21.133 1.00 10.32 H new ATOM 336 N SER A 24 3.058 -18.365 -17.021 1.00 4.33 N ATOM 337 CA SER A 24 3.707 -17.418 -16.120 1.00 75.24 C ATOM 338 C SER A 24 2.672 -16.568 -15.389 1.00 32.51 C ATOM 339 O SER A 24 1.474 -16.849 -15.440 1.00 40.53 O ATOM 340 CB SER A 24 4.666 -16.516 -16.899 1.00 55.22 C ATOM 341 OG SER A 24 4.934 -17.047 -18.185 1.00 50.44 O ATOM 0 H SER A 24 2.161 -18.049 -17.390 1.00 4.33 H new ATOM 0 HA SER A 24 4.273 -17.986 -15.381 1.00 75.24 H new ATOM 0 HB2 SER A 24 4.235 -15.520 -16.996 1.00 55.22 H new ATOM 0 HB3 SER A 24 5.599 -16.407 -16.345 1.00 55.22 H new ATOM 0 HG SER A 24 5.548 -16.452 -18.663 1.00 50.44 H new ATOM 347 N ASP A 25 3.143 -15.530 -14.709 1.00 2.55 N ATOM 348 CA ASP A 25 2.260 -14.637 -13.967 1.00 21.13 C ATOM 349 C ASP A 25 2.522 -13.181 -14.339 1.00 14.02 C ATOM 350 O ASP A 25 2.273 -12.274 -13.545 1.00 42.03 O ATOM 351 CB ASP A 25 2.449 -14.834 -12.462 1.00 15.44 C ATOM 352 CG ASP A 25 3.794 -14.331 -11.976 1.00 70.02 C ATOM 353 OD1 ASP A 25 4.825 -14.908 -12.381 1.00 72.44 O ATOM 354 OD2 ASP A 25 3.816 -13.360 -11.192 1.00 2.13 O ATOM 0 H ASP A 25 4.132 -15.285 -14.656 1.00 2.55 H new ATOM 0 HA ASP A 25 1.231 -14.881 -14.231 1.00 21.13 H new ATOM 0 HB2 ASP A 25 1.655 -14.312 -11.928 1.00 15.44 H new ATOM 0 HB3 ASP A 25 2.352 -15.893 -12.222 1.00 15.44 H new ATOM 359 N GLU A 26 3.025 -12.966 -15.550 1.00 63.22 N ATOM 360 CA GLU A 26 3.322 -11.620 -16.026 1.00 22.13 C ATOM 361 C GLU A 26 2.096 -10.719 -15.908 1.00 4.10 C ATOM 362 O GLU A 26 1.087 -10.934 -16.578 1.00 22.53 O ATOM 363 CB GLU A 26 3.800 -11.662 -17.479 1.00 21.33 C ATOM 364 CG GLU A 26 4.949 -12.628 -17.714 1.00 22.34 C ATOM 365 CD GLU A 26 6.197 -11.936 -18.226 1.00 64.51 C ATOM 366 OE1 GLU A 26 6.208 -11.532 -19.408 1.00 12.55 O ATOM 367 OE2 GLU A 26 7.163 -11.800 -17.447 1.00 24.33 O ATOM 0 H GLU A 26 3.235 -13.706 -16.219 1.00 63.22 H new ATOM 0 HA GLU A 26 4.116 -11.209 -15.402 1.00 22.13 H new ATOM 0 HB2 GLU A 26 2.964 -11.942 -18.120 1.00 21.33 H new ATOM 0 HB3 GLU A 26 4.110 -10.661 -17.780 1.00 21.33 H new ATOM 0 HG2 GLU A 26 5.181 -13.145 -16.783 1.00 22.34 H new ATOM 0 HG3 GLU A 26 4.639 -13.388 -18.431 1.00 22.34 H new ATOM 374 N GLY A 27 2.193 -9.708 -15.050 1.00 53.50 N ATOM 375 CA GLY A 27 1.086 -8.789 -14.859 1.00 14.02 C ATOM 376 C GLY A 27 0.182 -9.201 -13.713 1.00 50.55 C ATOM 377 O GLY A 27 -0.338 -8.353 -12.988 1.00 63.43 O ATOM 0 H GLY A 27 3.018 -9.509 -14.484 1.00 53.50 H new ATOM 0 HA2 GLY A 27 1.476 -7.789 -14.669 1.00 14.02 H new ATOM 0 HA3 GLY A 27 0.501 -8.733 -15.777 1.00 14.02 H new ATOM 381 N GLY A 28 -0.008 -10.507 -13.551 1.00 4.52 N ATOM 382 CA GLY A 28 -0.857 -11.006 -12.485 1.00 4.20 C ATOM 383 C GLY A 28 -2.114 -11.672 -13.009 1.00 5.33 C ATOM 384 O GLY A 28 -3.206 -11.446 -12.488 1.00 71.14 O ATOM 0 H GLY A 28 0.411 -11.228 -14.139 1.00 4.52 H new ATOM 0 HA2 GLY A 28 -0.296 -11.720 -11.882 1.00 4.20 H new ATOM 0 HA3 GLY A 28 -1.133 -10.181 -11.828 1.00 4.20 H new ATOM 388 N TRP A 29 -1.960 -12.492 -14.041 1.00 63.34 N ATOM 389 CA TRP A 29 -3.093 -13.192 -14.637 1.00 4.20 C ATOM 390 C TRP A 29 -3.231 -14.596 -14.058 1.00 40.53 C ATOM 391 O TRP A 29 -4.293 -15.213 -14.147 1.00 53.43 O ATOM 392 CB TRP A 29 -2.931 -13.267 -16.156 1.00 44.31 C ATOM 393 CG TRP A 29 -1.921 -14.283 -16.596 1.00 42.14 C ATOM 394 CD1 TRP A 29 -0.572 -14.101 -16.713 1.00 73.12 C ATOM 395 CD2 TRP A 29 -2.180 -15.638 -16.980 1.00 43.32 C ATOM 396 NE1 TRP A 29 0.023 -15.261 -17.147 1.00 33.34 N ATOM 397 CE2 TRP A 29 -0.942 -16.219 -17.317 1.00 24.22 C ATOM 398 CE3 TRP A 29 -3.336 -16.417 -17.070 1.00 52.12 C ATOM 399 CZ2 TRP A 29 -0.830 -17.542 -17.737 1.00 55.11 C ATOM 400 CZ3 TRP A 29 -3.224 -17.729 -17.488 1.00 33.42 C ATOM 401 CH2 TRP A 29 -1.979 -18.282 -17.816 1.00 51.43 C ATOM 0 H TRP A 29 -1.062 -12.689 -14.483 1.00 63.34 H new ATOM 0 HA TRP A 29 -3.998 -12.632 -14.403 1.00 4.20 H new ATOM 0 HB2 TRP A 29 -3.895 -13.505 -16.606 1.00 44.31 H new ATOM 0 HB3 TRP A 29 -2.637 -12.287 -16.532 1.00 44.31 H new ATOM 0 HD1 TRP A 29 -0.050 -13.181 -16.496 1.00 73.12 H new ATOM 0 HE1 TRP A 29 1.021 -15.388 -17.315 1.00 33.34 H new ATOM 0 HE3 TRP A 29 -4.300 -16.001 -16.817 1.00 52.12 H new ATOM 0 HZ2 TRP A 29 0.129 -17.969 -17.991 1.00 55.11 H new ATOM 0 HZ3 TRP A 29 -4.112 -18.339 -17.563 1.00 33.42 H new ATOM 0 HH2 TRP A 29 -1.925 -19.312 -18.137 1.00 51.43 H new ATOM 412 N LEU A 30 -2.152 -15.095 -13.465 1.00 74.23 N ATOM 413 CA LEU A 30 -2.154 -16.428 -12.871 1.00 51.50 C ATOM 414 C LEU A 30 -2.245 -16.346 -11.351 1.00 3.44 C ATOM 415 O LEU A 30 -2.204 -17.364 -10.659 1.00 51.20 O ATOM 416 CB LEU A 30 -0.892 -17.190 -13.278 1.00 31.43 C ATOM 417 CG LEU A 30 -0.951 -18.711 -13.131 1.00 62.34 C ATOM 418 CD1 LEU A 30 -2.016 -19.295 -14.046 1.00 52.14 C ATOM 419 CD2 LEU A 30 0.408 -19.329 -13.430 1.00 13.30 C ATOM 0 H LEU A 30 -1.265 -14.598 -13.383 1.00 74.23 H new ATOM 0 HA LEU A 30 -3.029 -16.963 -13.240 1.00 51.50 H new ATOM 0 HB2 LEU A 30 -0.668 -16.954 -14.318 1.00 31.43 H new ATOM 0 HB3 LEU A 30 -0.059 -16.819 -12.681 1.00 31.43 H new ATOM 0 HG LEU A 30 -1.217 -18.947 -12.101 1.00 62.34 H new ATOM 0 HD11 LEU A 30 -2.043 -20.378 -13.928 1.00 52.14 H new ATOM 0 HD12 LEU A 30 -2.988 -18.877 -13.786 1.00 52.14 H new ATOM 0 HD13 LEU A 30 -1.781 -19.049 -15.081 1.00 52.14 H new ATOM 0 HD21 LEU A 30 0.347 -20.412 -13.320 1.00 13.30 H new ATOM 0 HD22 LEU A 30 0.703 -19.083 -14.450 1.00 13.30 H new ATOM 0 HD23 LEU A 30 1.148 -18.935 -12.734 1.00 13.30 H new ATOM 431 N THR A 31 -2.370 -15.126 -10.835 1.00 62.51 N ATOM 432 CA THR A 31 -2.467 -14.911 -9.397 1.00 75.01 C ATOM 433 C THR A 31 -3.922 -14.878 -8.944 1.00 15.13 C ATOM 434 O THR A 31 -4.222 -15.101 -7.771 1.00 32.13 O ATOM 435 CB THR A 31 -1.781 -13.597 -8.978 1.00 21.41 C ATOM 436 OG1 THR A 31 -1.904 -13.410 -7.564 1.00 12.14 O ATOM 437 CG2 THR A 31 -2.392 -12.411 -9.707 1.00 53.42 C ATOM 0 H THR A 31 -2.406 -14.273 -11.392 1.00 62.51 H new ATOM 0 HA THR A 31 -1.958 -15.747 -8.917 1.00 75.01 H new ATOM 0 HB THR A 31 -0.726 -13.662 -9.245 1.00 21.41 H new ATOM 0 HG1 THR A 31 -1.464 -12.573 -7.305 1.00 12.14 H new ATOM 0 HG21 THR A 31 -1.891 -11.495 -9.395 1.00 53.42 H new ATOM 0 HG22 THR A 31 -2.270 -12.543 -10.782 1.00 53.42 H new ATOM 0 HG23 THR A 31 -3.453 -12.344 -9.468 1.00 53.42 H new ATOM 445 N ARG A 32 -4.823 -14.599 -9.880 1.00 51.43 N ATOM 446 CA ARG A 32 -6.247 -14.536 -9.576 1.00 55.11 C ATOM 447 C ARG A 32 -7.020 -15.582 -10.374 1.00 54.00 C ATOM 448 O ARG A 32 -8.081 -16.043 -9.950 1.00 52.32 O ATOM 449 CB ARG A 32 -6.795 -13.140 -9.880 1.00 63.12 C ATOM 450 CG ARG A 32 -6.057 -12.026 -9.156 1.00 50.43 C ATOM 451 CD ARG A 32 -6.812 -11.571 -7.917 1.00 52.44 C ATOM 452 NE ARG A 32 -7.259 -10.185 -8.027 1.00 53.31 N ATOM 453 CZ ARG A 32 -8.114 -9.619 -7.182 1.00 22.02 C ATOM 454 NH1 ARG A 32 -8.611 -10.317 -6.170 1.00 4.01 N ATOM 455 NH2 ARG A 32 -8.473 -8.352 -7.348 1.00 23.43 N ATOM 0 H ARG A 32 -4.592 -14.413 -10.856 1.00 51.43 H new ATOM 0 HA ARG A 32 -6.375 -14.746 -8.514 1.00 55.11 H new ATOM 0 HB2 ARG A 32 -6.740 -12.963 -10.954 1.00 63.12 H new ATOM 0 HB3 ARG A 32 -7.849 -13.105 -9.605 1.00 63.12 H new ATOM 0 HG2 ARG A 32 -5.063 -12.372 -8.871 1.00 50.43 H new ATOM 0 HG3 ARG A 32 -5.920 -11.181 -9.830 1.00 50.43 H new ATOM 0 HD2 ARG A 32 -7.674 -12.219 -7.760 1.00 52.44 H new ATOM 0 HD3 ARG A 32 -6.170 -11.677 -7.042 1.00 52.44 H new ATOM 0 HE ARG A 32 -6.895 -9.621 -8.795 1.00 53.31 H new ATOM 0 HH11 ARG A 32 -8.337 -11.291 -6.039 1.00 4.01 H new ATOM 0 HH12 ARG A 32 -9.267 -9.880 -5.523 1.00 4.01 H new ATOM 0 HH21 ARG A 32 -8.092 -7.812 -8.125 1.00 23.43 H new ATOM 0 HH22 ARG A 32 -9.129 -7.919 -6.699 1.00 23.43 H new ATOM 469 N LEU A 33 -6.483 -15.952 -11.531 1.00 25.21 N ATOM 470 CA LEU A 33 -7.121 -16.944 -12.389 1.00 55.32 C ATOM 471 C LEU A 33 -7.459 -18.207 -11.604 1.00 14.11 C ATOM 472 O LEU A 33 -8.593 -18.687 -11.638 1.00 32.24 O ATOM 473 CB LEU A 33 -6.210 -17.291 -13.567 1.00 44.44 C ATOM 474 CG LEU A 33 -6.509 -18.609 -14.282 1.00 41.34 C ATOM 475 CD1 LEU A 33 -7.946 -18.632 -14.780 1.00 43.53 C ATOM 476 CD2 LEU A 33 -5.539 -18.822 -15.436 1.00 13.13 C ATOM 0 H LEU A 33 -5.607 -15.580 -11.897 1.00 25.21 H new ATOM 0 HA LEU A 33 -8.048 -16.516 -12.769 1.00 55.32 H new ATOM 0 HB2 LEU A 33 -6.270 -16.483 -14.297 1.00 44.44 H new ATOM 0 HB3 LEU A 33 -5.181 -17.321 -13.208 1.00 44.44 H new ATOM 0 HG LEU A 33 -6.380 -19.424 -13.570 1.00 41.34 H new ATOM 0 HD11 LEU A 33 -8.141 -19.578 -15.286 1.00 43.53 H new ATOM 0 HD12 LEU A 33 -8.626 -18.526 -13.935 1.00 43.53 H new ATOM 0 HD13 LEU A 33 -8.103 -17.809 -15.477 1.00 43.53 H new ATOM 0 HD21 LEU A 33 -5.767 -19.765 -15.933 1.00 13.13 H new ATOM 0 HD22 LEU A 33 -5.636 -18.003 -16.149 1.00 13.13 H new ATOM 0 HD23 LEU A 33 -4.519 -18.851 -15.053 1.00 13.13 H new ATOM 488 N LEU A 34 -6.470 -18.739 -10.896 1.00 23.53 N ATOM 489 CA LEU A 34 -6.662 -19.946 -10.099 1.00 32.20 C ATOM 490 C LEU A 34 -7.723 -19.726 -9.025 1.00 70.43 C ATOM 491 O LEU A 34 -8.616 -20.553 -8.844 1.00 72.42 O ATOM 492 CB LEU A 34 -5.343 -20.368 -9.450 1.00 20.32 C ATOM 493 CG LEU A 34 -4.312 -21.009 -10.380 1.00 1.22 C ATOM 494 CD1 LEU A 34 -4.936 -22.156 -11.159 1.00 22.32 C ATOM 495 CD2 LEU A 34 -3.732 -19.970 -11.329 1.00 71.30 C ATOM 0 H LEU A 34 -5.526 -18.354 -10.857 1.00 23.53 H new ATOM 0 HA LEU A 34 -7.003 -20.740 -10.763 1.00 32.20 H new ATOM 0 HB2 LEU A 34 -4.891 -19.490 -8.989 1.00 20.32 H new ATOM 0 HB3 LEU A 34 -5.565 -21.071 -8.647 1.00 20.32 H new ATOM 0 HG LEU A 34 -3.501 -21.409 -9.772 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -4.187 -22.600 -11.815 1.00 22.32 H new ATOM 0 HD12 LEU A 34 -5.302 -22.911 -10.464 1.00 22.32 H new ATOM 0 HD13 LEU A 34 -5.766 -21.780 -11.757 1.00 22.32 H new ATOM 0 HD21 LEU A 34 -3.000 -20.443 -11.984 1.00 71.30 H new ATOM 0 HD22 LEU A 34 -4.533 -19.540 -11.931 1.00 71.30 H new ATOM 0 HD23 LEU A 34 -3.247 -19.182 -10.753 1.00 71.30 H new ATOM 507 N GLN A 35 -7.619 -18.606 -8.318 1.00 43.22 N ATOM 508 CA GLN A 35 -8.570 -18.277 -7.264 1.00 35.13 C ATOM 509 C GLN A 35 -10.002 -18.322 -7.789 1.00 23.13 C ATOM 510 O GLN A 35 -10.921 -18.737 -7.082 1.00 73.14 O ATOM 511 CB GLN A 35 -8.269 -16.892 -6.689 1.00 22.01 C ATOM 512 CG GLN A 35 -6.986 -16.837 -5.875 1.00 32.43 C ATOM 513 CD GLN A 35 -6.606 -15.424 -5.479 1.00 31.34 C ATOM 514 OE1 GLN A 35 -7.196 -14.454 -5.954 1.00 53.13 O ATOM 515 NE2 GLN A 35 -5.616 -15.301 -4.603 1.00 4.21 N ATOM 0 H GLN A 35 -6.885 -17.911 -8.456 1.00 43.22 H new ATOM 0 HA GLN A 35 -8.468 -19.020 -6.473 1.00 35.13 H new ATOM 0 HB2 GLN A 35 -8.201 -16.175 -7.507 1.00 22.01 H new ATOM 0 HB3 GLN A 35 -9.102 -16.580 -6.060 1.00 22.01 H new ATOM 0 HG2 GLN A 35 -7.104 -17.443 -4.976 1.00 32.43 H new ATOM 0 HG3 GLN A 35 -6.174 -17.279 -6.453 1.00 32.43 H new ATOM 0 HE21 GLN A 35 -5.155 -16.133 -4.235 1.00 4.21 H new ATOM 0 HE22 GLN A 35 -5.317 -14.375 -4.298 1.00 4.21 H new ATOM 524 N THR A 36 -10.184 -17.892 -9.033 1.00 51.33 N ATOM 525 CA THR A 36 -11.503 -17.881 -9.653 1.00 33.23 C ATOM 526 C THR A 36 -11.934 -19.288 -10.054 1.00 3.44 C ATOM 527 O THR A 36 -13.119 -19.551 -10.256 1.00 70.44 O ATOM 528 CB THR A 36 -11.533 -16.973 -10.897 1.00 24.42 C ATOM 529 OG1 THR A 36 -10.197 -16.674 -11.317 1.00 24.34 O ATOM 530 CG2 THR A 36 -12.280 -15.681 -10.606 1.00 4.41 C ATOM 0 H THR A 36 -9.434 -17.546 -9.632 1.00 51.33 H new ATOM 0 HA THR A 36 -12.197 -17.489 -8.910 1.00 33.23 H new ATOM 0 HB THR A 36 -12.054 -17.503 -11.694 1.00 24.42 H new ATOM 0 HG1 THR A 36 -9.789 -17.476 -11.706 1.00 24.34 H new ATOM 0 HG21 THR A 36 -12.288 -15.056 -11.499 1.00 4.41 H new ATOM 0 HG22 THR A 36 -13.305 -15.911 -10.315 1.00 4.41 H new ATOM 0 HG23 THR A 36 -11.783 -15.148 -9.795 1.00 4.41 H new ATOM 538 N LYS A 37 -10.964 -20.189 -10.166 1.00 3.42 N ATOM 539 CA LYS A 37 -11.242 -21.570 -10.541 1.00 25.04 C ATOM 540 C LYS A 37 -11.089 -22.500 -9.342 1.00 21.45 C ATOM 541 O LYS A 37 -11.052 -23.721 -9.492 1.00 15.21 O ATOM 542 CB LYS A 37 -10.304 -22.013 -11.666 1.00 60.20 C ATOM 543 CG LYS A 37 -10.405 -21.155 -12.915 1.00 72.33 C ATOM 544 CD LYS A 37 -11.833 -21.085 -13.429 1.00 54.12 C ATOM 545 CE LYS A 37 -11.875 -20.792 -14.921 1.00 51.22 C ATOM 546 NZ LYS A 37 -12.834 -21.680 -15.634 1.00 74.03 N ATOM 0 H LYS A 37 -9.978 -19.987 -10.002 1.00 3.42 H new ATOM 0 HA LYS A 37 -12.272 -21.625 -10.892 1.00 25.04 H new ATOM 0 HB2 LYS A 37 -9.277 -21.990 -11.302 1.00 60.20 H new ATOM 0 HB3 LYS A 37 -10.527 -23.048 -11.927 1.00 60.20 H new ATOM 0 HG2 LYS A 37 -10.046 -20.149 -12.697 1.00 72.33 H new ATOM 0 HG3 LYS A 37 -9.757 -21.563 -13.691 1.00 72.33 H new ATOM 0 HD2 LYS A 37 -12.340 -22.029 -13.228 1.00 54.12 H new ATOM 0 HD3 LYS A 37 -12.377 -20.310 -12.890 1.00 54.12 H new ATOM 0 HE2 LYS A 37 -12.158 -19.751 -15.079 1.00 51.22 H new ATOM 0 HE3 LYS A 37 -10.879 -20.919 -15.344 1.00 51.22 H new ATOM 0 HZ1 LYS A 37 -13.221 -21.181 -16.460 1.00 74.03 H new ATOM 0 HZ2 LYS A 37 -12.342 -22.541 -15.949 1.00 74.03 H new ATOM 0 HZ3 LYS A 37 -13.610 -21.940 -14.992 1.00 74.03 H new ATOM 560 N ASN A 38 -11.002 -21.915 -8.151 1.00 45.05 N ATOM 561 CA ASN A 38 -10.854 -22.692 -6.926 1.00 61.33 C ATOM 562 C ASN A 38 -9.551 -23.487 -6.940 1.00 14.32 C ATOM 563 O ASN A 38 -9.519 -24.652 -6.544 1.00 22.21 O ATOM 564 CB ASN A 38 -12.041 -23.641 -6.754 1.00 35.53 C ATOM 565 CG ASN A 38 -12.112 -24.232 -5.359 1.00 4.24 C ATOM 566 OD1 ASN A 38 -12.260 -23.509 -4.373 1.00 41.22 O ATOM 567 ND2 ASN A 38 -12.005 -25.552 -5.269 1.00 62.51 N ATOM 0 H ASN A 38 -11.031 -20.905 -8.009 1.00 45.05 H new ATOM 0 HA ASN A 38 -10.827 -21.998 -6.086 1.00 61.33 H new ATOM 0 HB2 ASN A 38 -12.966 -23.104 -6.965 1.00 35.53 H new ATOM 0 HB3 ASN A 38 -11.967 -24.447 -7.484 1.00 35.53 H new ATOM 0 HD21 ASN A 38 -12.044 -26.006 -4.356 1.00 62.51 H new ATOM 0 HD22 ASN A 38 -11.883 -26.113 -6.112 1.00 62.51 H new ATOM 574 N TYR A 39 -8.480 -22.848 -7.397 1.00 73.11 N ATOM 575 CA TYR A 39 -7.175 -23.495 -7.464 1.00 33.01 C ATOM 576 C TYR A 39 -7.235 -24.756 -8.321 1.00 55.43 C ATOM 577 O TYR A 39 -6.859 -25.840 -7.877 1.00 62.35 O ATOM 578 CB TYR A 39 -6.683 -23.844 -6.058 1.00 51.13 C ATOM 579 CG TYR A 39 -6.904 -22.741 -5.048 1.00 53.11 C ATOM 580 CD1 TYR A 39 -6.444 -21.452 -5.286 1.00 44.31 C ATOM 581 CD2 TYR A 39 -7.573 -22.988 -3.856 1.00 0.34 C ATOM 582 CE1 TYR A 39 -6.643 -20.441 -4.366 1.00 3.32 C ATOM 583 CE2 TYR A 39 -7.778 -21.983 -2.930 1.00 41.33 C ATOM 584 CZ TYR A 39 -7.311 -20.711 -3.190 1.00 22.02 C ATOM 585 OH TYR A 39 -7.512 -19.707 -2.270 1.00 63.50 O ATOM 0 H TYR A 39 -8.490 -21.883 -7.727 1.00 73.11 H new ATOM 0 HA TYR A 39 -6.475 -22.798 -7.925 1.00 33.01 H new ATOM 0 HB2 TYR A 39 -7.193 -24.745 -5.717 1.00 51.13 H new ATOM 0 HB3 TYR A 39 -5.619 -24.077 -6.102 1.00 51.13 H new ATOM 0 HD1 TYR A 39 -5.922 -21.237 -6.206 1.00 44.31 H new ATOM 0 HD2 TYR A 39 -7.939 -23.983 -3.649 1.00 0.34 H new ATOM 0 HE1 TYR A 39 -6.278 -19.445 -4.566 1.00 3.32 H new ATOM 0 HE2 TYR A 39 -8.301 -22.192 -2.008 1.00 41.33 H new ATOM 0 HH TYR A 39 -7.999 -20.063 -1.498 1.00 63.50 H new ATOM 595 N ASP A 40 -7.711 -24.603 -9.552 1.00 73.52 N ATOM 596 CA ASP A 40 -7.820 -25.728 -10.474 1.00 60.03 C ATOM 597 C ASP A 40 -6.746 -25.650 -11.555 1.00 20.41 C ATOM 598 O ASP A 40 -6.325 -24.562 -11.948 1.00 24.13 O ATOM 599 CB ASP A 40 -9.207 -25.755 -11.118 1.00 33.44 C ATOM 600 CG ASP A 40 -10.107 -26.812 -10.508 1.00 72.44 C ATOM 601 OD1 ASP A 40 -10.664 -26.561 -9.420 1.00 15.23 O ATOM 602 OD2 ASP A 40 -10.254 -27.892 -11.120 1.00 3.32 O ATOM 0 H ASP A 40 -8.027 -23.712 -9.934 1.00 73.52 H new ATOM 0 HA ASP A 40 -7.674 -26.647 -9.906 1.00 60.03 H new ATOM 0 HB2 ASP A 40 -9.675 -24.776 -11.009 1.00 33.44 H new ATOM 0 HB3 ASP A 40 -9.105 -25.942 -12.187 1.00 33.44 H new ATOM 607 N ILE A 41 -6.307 -26.811 -12.030 1.00 70.00 N ATOM 608 CA ILE A 41 -5.282 -26.874 -13.065 1.00 14.12 C ATOM 609 C ILE A 41 -5.898 -27.157 -14.431 1.00 65.50 C ATOM 610 O ILE A 41 -5.384 -26.717 -15.458 1.00 41.33 O ATOM 611 CB ILE A 41 -4.232 -27.956 -12.752 1.00 74.33 C ATOM 612 CG1 ILE A 41 -3.950 -28.005 -11.249 1.00 74.43 C ATOM 613 CG2 ILE A 41 -2.951 -27.691 -13.529 1.00 32.22 C ATOM 614 CD1 ILE A 41 -3.523 -26.675 -10.671 1.00 15.42 C ATOM 0 H ILE A 41 -6.645 -27.720 -11.715 1.00 70.00 H new ATOM 0 HA ILE A 41 -4.792 -25.900 -13.085 1.00 14.12 H new ATOM 0 HB ILE A 41 -4.627 -28.924 -13.060 1.00 74.33 H new ATOM 0 HG12 ILE A 41 -4.846 -28.347 -10.730 1.00 74.43 H new ATOM 0 HG13 ILE A 41 -3.170 -28.742 -11.058 1.00 74.43 H new ATOM 0 HG21 ILE A 41 -2.218 -28.464 -13.297 1.00 32.22 H new ATOM 0 HG22 ILE A 41 -3.165 -27.702 -14.598 1.00 32.22 H new ATOM 0 HG23 ILE A 41 -2.551 -26.716 -13.249 1.00 32.22 H new ATOM 0 HD11 ILE A 41 -3.340 -26.785 -9.602 1.00 15.42 H new ATOM 0 HD12 ILE A 41 -2.610 -26.341 -11.163 1.00 15.42 H new ATOM 0 HD13 ILE A 41 -4.311 -25.939 -10.831 1.00 15.42 H new ATOM 626 N GLY A 42 -7.003 -27.896 -14.435 1.00 13.05 N ATOM 627 CA GLY A 42 -7.672 -28.225 -15.680 1.00 1.51 C ATOM 628 C GLY A 42 -8.600 -27.121 -16.148 1.00 63.25 C ATOM 629 O GLY A 42 -9.000 -27.090 -17.312 1.00 34.24 O ATOM 0 H GLY A 42 -7.447 -28.273 -13.598 1.00 13.05 H new ATOM 0 HA2 GLY A 42 -6.925 -28.419 -16.450 1.00 1.51 H new ATOM 0 HA3 GLY A 42 -8.243 -29.145 -15.551 1.00 1.51 H new ATOM 633 N ALA A 43 -8.943 -26.214 -15.240 1.00 54.34 N ATOM 634 CA ALA A 43 -9.830 -25.104 -15.567 1.00 45.52 C ATOM 635 C ALA A 43 -9.035 -23.877 -16.003 1.00 72.01 C ATOM 636 O ALA A 43 -9.485 -23.103 -16.847 1.00 43.43 O ATOM 637 CB ALA A 43 -10.714 -24.766 -14.376 1.00 40.11 C ATOM 0 H ALA A 43 -8.620 -26.226 -14.272 1.00 54.34 H new ATOM 0 HA ALA A 43 -10.463 -25.410 -16.400 1.00 45.52 H new ATOM 0 HB1 ALA A 43 -11.371 -23.936 -14.635 1.00 40.11 H new ATOM 0 HB2 ALA A 43 -11.315 -25.636 -14.111 1.00 40.11 H new ATOM 0 HB3 ALA A 43 -10.090 -24.484 -13.528 1.00 40.11 H new ATOM 643 N ALA A 44 -7.852 -23.706 -15.421 1.00 75.35 N ATOM 644 CA ALA A 44 -6.995 -22.574 -15.751 1.00 73.52 C ATOM 645 C ALA A 44 -6.262 -22.807 -17.068 1.00 2.41 C ATOM 646 O ALA A 44 -5.838 -21.858 -17.730 1.00 31.21 O ATOM 647 CB ALA A 44 -6.000 -22.321 -14.628 1.00 75.02 C ATOM 0 H ALA A 44 -7.466 -24.337 -14.719 1.00 75.35 H new ATOM 0 HA ALA A 44 -7.626 -21.693 -15.868 1.00 73.52 H new ATOM 0 HB1 ALA A 44 -5.366 -21.473 -14.888 1.00 75.02 H new ATOM 0 HB2 ALA A 44 -6.539 -22.102 -13.706 1.00 75.02 H new ATOM 0 HB3 ALA A 44 -5.381 -23.206 -14.484 1.00 75.02 H new ATOM 653 N LEU A 45 -6.114 -24.073 -17.442 1.00 53.42 N ATOM 654 CA LEU A 45 -5.431 -24.430 -18.681 1.00 2.45 C ATOM 655 C LEU A 45 -6.235 -23.979 -19.896 1.00 32.42 C ATOM 656 O LEU A 45 -5.688 -23.806 -20.985 1.00 53.11 O ATOM 657 CB LEU A 45 -5.197 -25.940 -18.740 1.00 74.21 C ATOM 658 CG LEU A 45 -3.907 -26.446 -18.095 1.00 45.13 C ATOM 659 CD1 LEU A 45 -3.905 -27.965 -18.023 1.00 15.00 C ATOM 660 CD2 LEU A 45 -2.694 -25.946 -18.867 1.00 23.05 C ATOM 0 H LEU A 45 -6.458 -24.869 -16.905 1.00 53.42 H new ATOM 0 HA LEU A 45 -4.468 -23.919 -18.697 1.00 2.45 H new ATOM 0 HB2 LEU A 45 -6.039 -26.437 -18.258 1.00 74.21 H new ATOM 0 HB3 LEU A 45 -5.201 -26.247 -19.786 1.00 74.21 H new ATOM 0 HG LEU A 45 -3.854 -26.055 -17.079 1.00 45.13 H new ATOM 0 HD11 LEU A 45 -2.979 -28.306 -17.561 1.00 15.00 H new ATOM 0 HD12 LEU A 45 -4.753 -28.302 -17.427 1.00 15.00 H new ATOM 0 HD13 LEU A 45 -3.982 -28.377 -19.029 1.00 15.00 H new ATOM 0 HD21 LEU A 45 -1.784 -26.316 -18.394 1.00 23.05 H new ATOM 0 HD22 LEU A 45 -2.742 -26.308 -19.894 1.00 23.05 H new ATOM 0 HD23 LEU A 45 -2.686 -24.856 -18.866 1.00 23.05 H new ATOM 672 N ASP A 46 -7.535 -23.790 -19.701 1.00 35.21 N ATOM 673 CA ASP A 46 -8.415 -23.357 -20.780 1.00 53.41 C ATOM 674 C ASP A 46 -8.897 -21.928 -20.548 1.00 33.14 C ATOM 675 O ASP A 46 -9.983 -21.548 -20.987 1.00 12.12 O ATOM 676 CB ASP A 46 -9.614 -24.299 -20.900 1.00 23.33 C ATOM 677 CG ASP A 46 -9.791 -24.834 -22.307 1.00 75.11 C ATOM 678 OD1 ASP A 46 -8.772 -25.158 -22.952 1.00 52.14 O ATOM 679 OD2 ASP A 46 -10.950 -24.930 -22.763 1.00 41.41 O ATOM 0 H ASP A 46 -8.003 -23.930 -18.806 1.00 35.21 H new ATOM 0 HA ASP A 46 -7.848 -23.384 -21.710 1.00 53.41 H new ATOM 0 HB2 ASP A 46 -9.487 -25.134 -20.210 1.00 23.33 H new ATOM 0 HB3 ASP A 46 -10.519 -23.771 -20.599 1.00 23.33 H new ATOM 684 N THR A 47 -8.083 -21.140 -19.853 1.00 1.34 N ATOM 685 CA THR A 47 -8.427 -19.754 -19.559 1.00 63.14 C ATOM 686 C THR A 47 -7.474 -18.791 -20.259 1.00 24.55 C ATOM 687 O THR A 47 -7.521 -17.582 -20.032 1.00 34.13 O ATOM 688 CB THR A 47 -8.399 -19.477 -18.045 1.00 5.25 C ATOM 689 OG1 THR A 47 -8.994 -20.569 -17.335 1.00 71.04 O ATOM 690 CG2 THR A 47 -9.139 -18.189 -17.716 1.00 45.23 C ATOM 0 H THR A 47 -7.180 -21.438 -19.483 1.00 1.34 H new ATOM 0 HA THR A 47 -9.439 -19.594 -19.931 1.00 63.14 H new ATOM 0 HB THR A 47 -7.359 -19.369 -17.738 1.00 5.25 H new ATOM 0 HG1 THR A 47 -9.970 -20.488 -17.369 1.00 71.04 H new ATOM 0 HG21 THR A 47 -9.106 -18.015 -16.641 1.00 45.23 H new ATOM 0 HG22 THR A 47 -8.665 -17.355 -18.234 1.00 45.23 H new ATOM 0 HG23 THR A 47 -10.177 -18.273 -18.038 1.00 45.23 H new ATOM 698 N ILE A 48 -6.610 -19.335 -21.109 1.00 63.01 N ATOM 699 CA ILE A 48 -5.647 -18.523 -21.843 1.00 2.14 C ATOM 700 C ILE A 48 -5.984 -18.478 -23.329 1.00 34.40 C ATOM 701 O ILE A 48 -5.696 -17.495 -24.011 1.00 72.51 O ATOM 702 CB ILE A 48 -4.212 -19.056 -21.669 1.00 75.52 C ATOM 703 CG1 ILE A 48 -4.078 -19.797 -20.337 1.00 10.20 C ATOM 704 CG2 ILE A 48 -3.209 -17.916 -21.751 1.00 15.50 C ATOM 705 CD1 ILE A 48 -4.400 -21.272 -20.430 1.00 50.12 C ATOM 0 H ILE A 48 -6.557 -20.334 -21.307 1.00 63.01 H new ATOM 0 HA ILE A 48 -5.704 -17.516 -21.430 1.00 2.14 H new ATOM 0 HB ILE A 48 -4.001 -19.757 -22.476 1.00 75.52 H new ATOM 0 HG12 ILE A 48 -3.060 -19.679 -19.966 1.00 10.20 H new ATOM 0 HG13 ILE A 48 -4.740 -19.334 -19.605 1.00 10.20 H new ATOM 0 HG21 ILE A 48 -2.200 -18.309 -21.626 1.00 15.50 H new ATOM 0 HG22 ILE A 48 -3.291 -17.429 -22.723 1.00 15.50 H new ATOM 0 HG23 ILE A 48 -3.416 -17.192 -20.963 1.00 15.50 H new ATOM 0 HD11 ILE A 48 -4.284 -21.732 -19.449 1.00 50.12 H new ATOM 0 HD12 ILE A 48 -5.427 -21.399 -20.771 1.00 50.12 H new ATOM 0 HD13 ILE A 48 -3.721 -21.749 -21.137 1.00 50.12 H new ATOM 717 N GLN A 49 -6.598 -19.549 -23.823 1.00 53.41 N ATOM 718 CA GLN A 49 -6.976 -19.631 -25.229 1.00 14.31 C ATOM 719 C GLN A 49 -7.754 -18.391 -25.657 1.00 12.42 C ATOM 720 O GLN A 49 -7.469 -17.795 -26.696 1.00 13.20 O ATOM 721 CB GLN A 49 -7.815 -20.885 -25.481 1.00 63.20 C ATOM 722 CG GLN A 49 -7.126 -22.172 -25.057 1.00 33.44 C ATOM 723 CD GLN A 49 -5.885 -22.468 -25.875 1.00 41.42 C ATOM 724 OE1 GLN A 49 -4.843 -21.837 -25.694 1.00 11.23 O ATOM 725 NE2 GLN A 49 -5.989 -23.431 -26.783 1.00 74.00 N ATOM 0 H GLN A 49 -6.844 -20.371 -23.271 1.00 53.41 H new ATOM 0 HA GLN A 49 -6.063 -19.688 -25.822 1.00 14.31 H new ATOM 0 HB2 GLN A 49 -8.759 -20.794 -24.944 1.00 63.20 H new ATOM 0 HB3 GLN A 49 -8.056 -20.944 -26.542 1.00 63.20 H new ATOM 0 HG2 GLN A 49 -6.854 -22.104 -24.004 1.00 33.44 H new ATOM 0 HG3 GLN A 49 -7.826 -23.002 -25.152 1.00 33.44 H new ATOM 0 HE21 GLN A 49 -6.872 -23.929 -26.900 1.00 74.00 H new ATOM 0 HE22 GLN A 49 -5.186 -23.673 -27.364 1.00 74.00 H new ATOM 734 N TYR A 50 -8.737 -18.007 -24.850 1.00 31.42 N ATOM 735 CA TYR A 50 -9.558 -16.839 -25.146 1.00 71.53 C ATOM 736 C TYR A 50 -10.402 -16.445 -23.938 1.00 23.43 C ATOM 737 O TYR A 50 -10.843 -17.300 -23.170 1.00 12.14 O ATOM 738 CB TYR A 50 -10.465 -17.119 -26.346 1.00 10.10 C ATOM 739 CG TYR A 50 -11.571 -18.108 -26.052 1.00 44.41 C ATOM 740 CD1 TYR A 50 -12.777 -17.688 -25.504 1.00 25.22 C ATOM 741 CD2 TYR A 50 -11.409 -19.461 -26.321 1.00 51.04 C ATOM 742 CE1 TYR A 50 -13.789 -18.588 -25.233 1.00 13.11 C ATOM 743 CE2 TYR A 50 -12.417 -20.367 -26.055 1.00 62.52 C ATOM 744 CZ TYR A 50 -13.605 -19.926 -25.511 1.00 22.22 C ATOM 745 OH TYR A 50 -14.611 -20.826 -25.243 1.00 24.42 O ATOM 0 H TYR A 50 -8.985 -18.488 -23.985 1.00 31.42 H new ATOM 0 HA TYR A 50 -8.892 -16.010 -25.387 1.00 71.53 H new ATOM 0 HB2 TYR A 50 -10.907 -16.182 -26.683 1.00 10.10 H new ATOM 0 HB3 TYR A 50 -9.859 -17.499 -27.168 1.00 10.10 H new ATOM 0 HD1 TYR A 50 -12.925 -16.641 -25.286 1.00 25.22 H new ATOM 0 HD2 TYR A 50 -10.479 -19.810 -26.745 1.00 51.04 H new ATOM 0 HE1 TYR A 50 -14.720 -18.246 -24.805 1.00 13.11 H new ATOM 0 HE2 TYR A 50 -12.276 -21.415 -26.272 1.00 62.52 H new ATOM 0 HH TYR A 50 -14.321 -21.727 -25.498 1.00 24.42 H new ATOM 755 N SER A 51 -10.622 -15.144 -23.777 1.00 23.53 N ATOM 756 CA SER A 51 -11.409 -14.635 -22.660 1.00 55.15 C ATOM 757 C SER A 51 -11.528 -13.115 -22.729 1.00 35.45 C ATOM 758 O SER A 51 -10.950 -12.474 -23.606 1.00 54.12 O ATOM 759 CB SER A 51 -10.776 -15.049 -21.331 1.00 34.12 C ATOM 760 OG SER A 51 -9.376 -14.834 -21.344 1.00 1.54 O ATOM 0 H SER A 51 -10.266 -14.424 -24.406 1.00 23.53 H new ATOM 0 HA SER A 51 -12.409 -15.064 -22.726 1.00 55.15 H new ATOM 0 HB2 SER A 51 -11.227 -14.481 -20.517 1.00 34.12 H new ATOM 0 HB3 SER A 51 -10.984 -16.101 -21.138 1.00 34.12 H new ATOM 0 HG SER A 51 -8.995 -15.105 -20.483 1.00 1.54 H new ATOM 766 N LYS A 52 -12.283 -12.545 -21.795 1.00 61.03 N ATOM 767 CA LYS A 52 -12.479 -11.101 -21.746 1.00 43.01 C ATOM 768 C LYS A 52 -11.576 -10.465 -20.694 1.00 22.01 C ATOM 769 O LYS A 52 -10.802 -9.555 -20.994 1.00 21.25 O ATOM 770 CB LYS A 52 -13.943 -10.774 -21.442 1.00 64.21 C ATOM 771 CG LYS A 52 -14.887 -11.089 -22.589 1.00 60.42 C ATOM 772 CD LYS A 52 -15.556 -9.833 -23.122 1.00 32.43 C ATOM 773 CE LYS A 52 -16.981 -10.111 -23.576 1.00 41.02 C ATOM 774 NZ LYS A 52 -17.019 -11.004 -24.767 1.00 71.40 N ATOM 0 H LYS A 52 -12.769 -13.061 -21.062 1.00 61.03 H new ATOM 0 HA LYS A 52 -12.217 -10.691 -22.721 1.00 43.01 H new ATOM 0 HB2 LYS A 52 -14.256 -11.334 -20.561 1.00 64.21 H new ATOM 0 HB3 LYS A 52 -14.026 -9.716 -21.194 1.00 64.21 H new ATOM 0 HG2 LYS A 52 -14.335 -11.577 -23.392 1.00 60.42 H new ATOM 0 HG3 LYS A 52 -15.648 -11.793 -22.252 1.00 60.42 H new ATOM 0 HD2 LYS A 52 -15.563 -9.066 -22.347 1.00 32.43 H new ATOM 0 HD3 LYS A 52 -14.977 -9.438 -23.957 1.00 32.43 H new ATOM 0 HE2 LYS A 52 -17.539 -10.570 -22.760 1.00 41.02 H new ATOM 0 HE3 LYS A 52 -17.477 -9.170 -23.812 1.00 41.02 H new ATOM 0 HZ1 LYS A 52 -18.007 -11.169 -25.045 1.00 71.40 H new ATOM 0 HZ2 LYS A 52 -16.508 -10.555 -25.554 1.00 71.40 H new ATOM 0 HZ3 LYS A 52 -16.568 -11.912 -24.535 1.00 71.40 H new ATOM 788 N HIS A 53 -11.679 -10.950 -19.461 1.00 22.43 N ATOM 789 CA HIS A 53 -10.869 -10.430 -18.364 1.00 74.24 C ATOM 790 C HIS A 53 -11.045 -8.921 -18.228 1.00 40.21 C ATOM 791 O HIS A 53 -10.416 -8.287 -17.380 1.00 32.44 O ATOM 792 CB HIS A 53 -9.395 -10.766 -18.587 1.00 44.25 C ATOM 793 CG HIS A 53 -8.574 -10.723 -17.335 1.00 35.31 C ATOM 794 ND1 HIS A 53 -7.934 -9.585 -16.893 1.00 11.11 N ATOM 795 CD2 HIS A 53 -8.293 -11.688 -16.428 1.00 15.44 C ATOM 796 CE1 HIS A 53 -7.293 -9.851 -15.769 1.00 33.32 C ATOM 797 NE2 HIS A 53 -7.496 -11.121 -15.464 1.00 43.55 N ATOM 0 H HIS A 53 -12.315 -11.702 -19.196 1.00 22.43 H new ATOM 0 HA HIS A 53 -11.205 -10.902 -17.441 1.00 74.24 H new ATOM 0 HB2 HIS A 53 -9.320 -11.761 -19.027 1.00 44.25 H new ATOM 0 HB3 HIS A 53 -8.977 -10.066 -19.310 1.00 44.25 H new ATOM 0 HD2 HIS A 53 -8.632 -12.713 -16.457 1.00 15.44 H new ATOM 0 HE1 HIS A 53 -6.703 -9.150 -15.197 1.00 33.32 H new ATOM 0 HE2 HIS A 53 -7.122 -11.602 -14.646 1.00 43.55 H new TER 805 HIS A 53