USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 6 ASN : amide:sc= -2.41 K(o=-2.3,f=-3.3!) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.145 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -179:sc= -2.77! (180deg=-2.93!) USER MOD Set 2.2: A 57 GLN :FLIP amide:sc= -0.378 F(o=-4.3,f=-3.1) USER MOD Single : A 1 ALA N :NH3+ -169:sc=-0.00442 (180deg=-0.238) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 7 SER OG : rot 112:sc= 0.984 USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0884) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -23:sc= -0.283! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 150:sc= -1.63 USER MOD Single : A 29 GLN :FLIP amide:sc= 0.307 F(o=-0.51,f=0.31) USER MOD Single : A 33 SER OG : rot 87:sc= 0.762 USER MOD Single : A 34 GLN :FLIP amide:sc= -3.63! C(o=-5.5!,f=-3.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0054 USER MOD Single : A 50 THR OG1 : rot -39:sc= 0.316 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 52 HIS : no HD1:sc= -9.99! C(o=-10!,f=-12!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 54 ASN : amide:sc= -0.141! C(o=-0.14!,f=-6.7!) USER MOD Single : A 61 GLN :FLIP amide:sc= -3.46! C(o=-8.1!,f=-3.5!) USER MOD Single : A 62 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.15) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.439 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 105:sc= 0.0818 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.88 K(o=-2.9,f=-7.5!) USER MOD Single : A 90 GLN : amide:sc= -0.0924 X(o=-0.092,f=0) USER MOD Single : A 91 SER OG : rot 89:sc= 0.758 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 144:sc= -0.0483 (180deg=-0.571) USER MOD Single : A 100 GLN : amide:sc= -0.641 K(o=-0.64,f=-2.1!) USER MOD Single : A 105 GLN : amide:sc= -0.542 K(o=-0.54,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.291 46.198 5.557 1.00 18.33 N ATOM 2 CA ALA A 1 16.209 45.200 4.939 1.00 16.52 C ATOM 3 C ALA A 1 15.455 44.410 3.866 1.00 15.03 C ATOM 4 O ALA A 1 14.247 44.284 3.907 1.00 16.00 O ATOM 5 CB ALA A 1 16.717 44.241 6.018 1.00 17.21 C ATOM 0 H1 ALA A 1 15.840 46.856 6.147 1.00 18.33 H new ATOM 0 H2 ALA A 1 14.802 46.729 4.809 1.00 18.33 H new ATOM 0 H3 ALA A 1 14.590 45.706 6.147 1.00 18.33 H new ATOM 0 HA ALA A 1 17.055 45.715 4.483 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.389 43.510 5.568 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.253 44.804 6.782 1.00 17.21 H new ATOM 0 HB3 ALA A 1 15.872 43.725 6.473 1.00 17.21 H new ATOM 13 N GLN A 2 16.159 43.873 2.907 1.00 14.70 N ATOM 14 CA GLN A 2 15.483 43.088 1.836 1.00 14.58 C ATOM 15 C GLN A 2 16.538 42.411 0.959 1.00 12.38 C ATOM 16 O GLN A 2 16.856 41.252 1.141 1.00 12.11 O ATOM 17 CB GLN A 2 14.625 44.016 0.976 1.00 17.38 C ATOM 18 CG GLN A 2 14.025 43.221 -0.187 1.00 22.60 C ATOM 19 CD GLN A 2 12.870 44.009 -0.806 1.00 24.11 C ATOM 20 OE1 GLN A 2 12.779 45.210 -0.640 1.00 29.77 O ATOM 21 NE2 GLN A 2 11.978 43.380 -1.521 1.00 23.75 N ATOM 0 H GLN A 2 17.173 43.944 2.819 1.00 14.70 H new ATOM 0 HA GLN A 2 14.846 42.331 2.293 1.00 14.58 H new ATOM 0 HB2 GLN A 2 13.830 44.456 1.578 1.00 17.38 H new ATOM 0 HB3 GLN A 2 15.230 44.839 0.595 1.00 17.38 H new ATOM 0 HG2 GLN A 2 14.789 43.025 -0.939 1.00 22.60 H new ATOM 0 HG3 GLN A 2 13.670 42.253 0.166 1.00 22.60 H new ATOM 0 HE21 GLN A 2 12.054 42.372 -1.660 1.00 23.75 H new ATOM 0 HE22 GLN A 2 11.205 43.896 -1.941 1.00 23.75 H new ATOM 30 N GLU A 3 17.089 43.122 0.013 1.00 0.00 N ATOM 31 CA GLU A 3 18.126 42.506 -0.862 1.00 0.00 C ATOM 32 C GLU A 3 19.270 41.996 0.020 1.00 0.00 C ATOM 33 O GLU A 3 20.160 41.305 -0.434 1.00 0.00 O ATOM 34 CB GLU A 3 18.656 43.543 -1.869 1.00 0.00 C ATOM 35 CG GLU A 3 18.491 44.958 -1.309 1.00 0.00 C ATOM 36 CD GLU A 3 19.090 45.029 0.095 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.294 44.864 0.213 1.00 0.00 O ATOM 38 OE2 GLU A 3 18.336 45.246 1.029 1.00 0.00 O ATOM 0 H GLU A 3 16.868 44.097 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 3 17.692 41.677 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.707 43.349 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.117 43.453 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.984 45.678 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.435 45.227 -1.278 1.00 0.00 H new ATOM 45 N PHE A 4 19.243 42.328 1.283 1.00 11.75 N ATOM 46 CA PHE A 4 20.316 41.866 2.208 1.00 10.29 C ATOM 47 C PHE A 4 20.320 40.338 2.292 1.00 10.97 C ATOM 48 O PHE A 4 21.246 39.681 1.860 1.00 7.53 O ATOM 49 CB PHE A 4 20.053 42.442 3.609 1.00 11.72 C ATOM 50 CG PHE A 4 21.011 43.570 3.914 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.887 44.800 3.259 1.00 17.80 C ATOM 52 CD2 PHE A 4 22.019 43.383 4.867 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.774 45.842 3.557 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.905 44.421 5.164 1.00 19.72 C ATOM 55 CZ PHE A 4 22.784 45.652 4.510 1.00 20.03 C ATOM 0 H PHE A 4 18.519 42.903 1.715 1.00 11.75 H new ATOM 0 HA PHE A 4 21.281 42.207 1.833 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.027 42.804 3.672 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.160 41.656 4.356 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.109 44.946 2.525 1.00 17.80 H new ATOM 0 HD2 PHE A 4 22.112 42.434 5.374 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.680 46.792 3.052 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.683 44.274 5.898 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.468 46.455 4.739 1.00 20.03 H new ATOM 65 N VAL A 5 19.302 39.774 2.873 1.00 10.96 N ATOM 66 CA VAL A 5 19.252 38.296 3.022 1.00 12.03 C ATOM 67 C VAL A 5 18.953 37.638 1.674 1.00 12.91 C ATOM 68 O VAL A 5 19.518 36.617 1.339 1.00 10.57 O ATOM 69 CB VAL A 5 18.165 37.937 4.042 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.196 38.948 5.194 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.786 37.971 3.375 1.00 9.23 C ATOM 0 H VAL A 5 18.499 40.275 3.253 1.00 10.96 H new ATOM 0 HA VAL A 5 20.217 37.930 3.373 1.00 12.03 H new ATOM 0 HB VAL A 5 18.352 36.934 4.425 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.424 38.695 5.921 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.173 38.919 5.677 1.00 5.33 H new ATOM 0 HG13 VAL A 5 18.013 39.949 4.804 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.021 37.715 4.108 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.595 38.971 2.986 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.760 37.252 2.556 1.00 9.23 H new ATOM 81 N ASN A 6 18.079 38.211 0.895 1.00 13.95 N ATOM 82 CA ASN A 6 17.765 37.606 -0.425 1.00 13.93 C ATOM 83 C ASN A 6 19.060 37.446 -1.221 1.00 14.98 C ATOM 84 O ASN A 6 19.233 36.497 -1.959 1.00 13.88 O ATOM 85 CB ASN A 6 16.797 38.513 -1.185 1.00 19.23 C ATOM 86 CG ASN A 6 15.728 39.035 -0.225 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.250 40.143 -0.371 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.327 38.276 0.757 1.00 26.59 N ATOM 0 H ASN A 6 17.572 39.068 1.115 1.00 13.95 H new ATOM 0 HA ASN A 6 17.301 36.630 -0.284 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.338 39.347 -1.632 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.330 37.962 -2.001 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.612 38.612 1.402 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.728 37.346 0.880 1.00 26.59 H new ATOM 95 N SER A 7 19.975 38.365 -1.069 1.00 0.00 N ATOM 96 CA SER A 7 21.261 38.262 -1.810 1.00 0.00 C ATOM 97 C SER A 7 22.131 37.178 -1.168 1.00 0.00 C ATOM 98 O SER A 7 23.127 36.758 -1.724 1.00 0.00 O ATOM 99 CB SER A 7 21.996 39.602 -1.753 1.00 0.00 C ATOM 100 OG SER A 7 21.238 40.582 -2.449 1.00 0.00 O ATOM 0 H SER A 7 19.886 39.181 -0.464 1.00 0.00 H new ATOM 0 HA SER A 7 21.060 38.003 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.142 39.906 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 7 22.986 39.506 -2.199 1.00 0.00 H new ATOM 0 HG SER A 7 20.891 41.241 -1.812 1.00 0.00 H new ATOM 106 N LYS A 8 21.767 36.727 0.004 1.00 13.50 N ATOM 107 CA LYS A 8 22.580 35.678 0.686 1.00 11.83 C ATOM 108 C LYS A 8 21.975 34.294 0.418 1.00 12.94 C ATOM 109 O LYS A 8 22.669 33.369 0.045 1.00 11.22 O ATOM 110 CB LYS A 8 22.609 35.958 2.193 1.00 13.35 C ATOM 111 CG LYS A 8 23.440 37.220 2.461 1.00 9.72 C ATOM 112 CD LYS A 8 23.705 37.358 3.964 1.00 17.72 C ATOM 113 CE LYS A 8 24.127 38.796 4.286 1.00 15.70 C ATOM 114 NZ LYS A 8 25.431 39.094 3.627 1.00 22.87 N ATOM 0 H LYS A 8 20.943 37.039 0.517 1.00 13.50 H new ATOM 0 HA LYS A 8 23.598 35.696 0.297 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.595 36.091 2.569 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.037 35.108 2.724 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.384 37.166 1.919 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.911 38.099 2.093 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.808 37.098 4.526 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.486 36.663 4.270 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.365 39.495 3.941 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.215 38.927 5.365 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.782 40.017 3.954 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 26.120 38.355 3.872 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 25.301 39.119 2.595 1.00 22.87 H new ATOM 128 N ILE A 9 20.688 34.138 0.593 1.00 11.05 N ATOM 129 CA ILE A 9 20.061 32.806 0.331 1.00 13.61 C ATOM 130 C ILE A 9 19.852 32.624 -1.169 1.00 12.23 C ATOM 131 O ILE A 9 19.327 33.486 -1.846 1.00 12.72 O ATOM 132 CB ILE A 9 18.699 32.697 1.026 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.838 33.902 0.641 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.895 32.636 2.544 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.880 34.256 1.784 1.00 25.19 C ATOM 0 H ILE A 9 20.048 34.869 0.904 1.00 11.05 H new ATOM 0 HA ILE A 9 20.727 32.036 0.721 1.00 13.61 H new ATOM 0 HB ILE A 9 18.194 31.785 0.707 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.476 34.756 0.414 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.271 33.679 -0.263 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.924 32.559 3.033 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.500 31.766 2.798 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.401 33.540 2.882 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.273 35.115 1.497 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.230 33.406 1.991 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.454 34.500 2.678 1.00 25.19 H new ATOM 147 N GLN A 10 20.245 31.497 -1.686 1.00 11.13 N ATOM 148 CA GLN A 10 20.062 31.225 -3.135 1.00 10.86 C ATOM 149 C GLN A 10 19.932 29.703 -3.324 1.00 10.00 C ATOM 150 O GLN A 10 20.364 28.947 -2.477 1.00 10.42 O ATOM 151 CB GLN A 10 21.255 31.806 -3.917 1.00 14.27 C ATOM 152 CG GLN A 10 22.175 30.700 -4.437 1.00 22.05 C ATOM 153 CD GLN A 10 23.413 31.342 -5.064 1.00 30.84 C ATOM 154 OE1 GLN A 10 23.325 32.385 -5.681 1.00 32.99 O ATOM 155 NE2 GLN A 10 24.572 30.763 -4.927 1.00 34.61 N ATOM 0 H GLN A 10 20.690 30.745 -1.161 1.00 11.13 H new ATOM 0 HA GLN A 10 19.159 31.701 -3.518 1.00 10.86 H new ATOM 0 HB2 GLN A 10 20.888 32.400 -4.754 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.821 32.479 -3.273 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.466 30.037 -3.622 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.652 30.090 -5.174 1.00 22.05 H new ATOM 0 HE21 GLN A 10 24.647 29.887 -4.409 1.00 34.61 H new ATOM 0 HE22 GLN A 10 25.405 31.185 -5.338 1.00 34.61 H new ATOM 164 N PRO A 11 19.323 29.290 -4.411 1.00 6.53 N ATOM 165 CA PRO A 11 19.118 27.857 -4.687 1.00 7.75 C ATOM 166 C PRO A 11 20.431 27.077 -4.583 1.00 6.33 C ATOM 167 O PRO A 11 21.435 27.437 -5.162 1.00 9.49 O ATOM 168 CB PRO A 11 18.554 27.808 -6.117 1.00 8.32 C ATOM 169 CG PRO A 11 18.319 29.269 -6.575 1.00 7.94 C ATOM 170 CD PRO A 11 18.798 30.198 -5.448 1.00 11.72 C ATOM 0 HA PRO A 11 18.444 27.396 -3.965 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.250 27.304 -6.787 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.622 27.244 -6.142 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.865 29.473 -7.496 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.263 29.438 -6.786 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.568 30.884 -5.801 1.00 11.72 H new ATOM 0 HD3 PRO A 11 17.981 30.808 -5.063 1.00 11.72 H new ATOM 178 N GLY A 12 20.412 25.995 -3.857 1.00 5.64 N ATOM 179 CA GLY A 12 21.634 25.160 -3.719 1.00 8.39 C ATOM 180 C GLY A 12 22.659 25.837 -2.806 1.00 7.67 C ATOM 181 O GLY A 12 23.847 25.621 -2.937 1.00 10.24 O ATOM 0 H GLY A 12 19.596 25.652 -3.350 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.368 24.184 -3.313 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.074 24.988 -4.701 1.00 8.39 H new ATOM 185 N LYS A 13 22.221 26.643 -1.876 1.00 9.66 N ATOM 186 CA LYS A 13 23.192 27.309 -0.959 1.00 10.29 C ATOM 187 C LYS A 13 22.622 27.343 0.458 1.00 10.20 C ATOM 188 O LYS A 13 21.483 27.707 0.674 1.00 6.89 O ATOM 189 CB LYS A 13 23.462 28.738 -1.431 1.00 9.77 C ATOM 190 CG LYS A 13 24.441 29.408 -0.465 1.00 10.63 C ATOM 191 CD LYS A 13 25.018 30.670 -1.106 1.00 12.04 C ATOM 192 CE LYS A 13 25.842 31.436 -0.069 1.00 19.12 C ATOM 193 NZ LYS A 13 26.192 32.782 -0.606 1.00 25.36 N ATOM 0 H LYS A 13 21.240 26.868 -1.712 1.00 9.66 H new ATOM 0 HA LYS A 13 24.126 26.746 -0.964 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.876 28.729 -2.439 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.530 29.302 -1.474 1.00 9.77 H new ATOM 0 HG2 LYS A 13 23.932 29.661 0.465 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.245 28.718 -0.211 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.643 30.405 -1.959 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.213 31.300 -1.484 1.00 12.04 H new ATOM 0 HE2 LYS A 13 25.276 31.538 0.857 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.749 30.882 0.171 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 26.752 33.302 0.099 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 26.748 32.674 -1.478 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 25.321 33.310 -0.814 1.00 25.36 H new ATOM 207 N VAL A 14 23.413 26.971 1.429 1.00 10.89 N ATOM 208 CA VAL A 14 22.933 26.982 2.833 1.00 9.99 C ATOM 209 C VAL A 14 23.473 28.222 3.540 1.00 5.01 C ATOM 210 O VAL A 14 24.625 28.581 3.397 1.00 6.68 O ATOM 211 CB VAL A 14 23.427 25.728 3.554 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.942 25.749 5.004 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.870 24.489 2.852 1.00 5.86 C ATOM 0 H VAL A 14 24.376 26.659 1.305 1.00 10.89 H new ATOM 0 HA VAL A 14 21.843 26.999 2.845 1.00 9.99 H new ATOM 0 HB VAL A 14 24.517 25.702 3.535 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.294 24.855 5.518 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.333 26.634 5.506 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.852 25.773 5.023 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.220 23.593 3.364 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.781 24.517 2.874 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.211 24.473 1.817 1.00 5.86 H new ATOM 223 N VAL A 15 22.647 28.877 4.302 1.00 3.11 N ATOM 224 CA VAL A 15 23.097 30.095 5.027 1.00 10.10 C ATOM 225 C VAL A 15 22.391 30.143 6.384 1.00 9.35 C ATOM 226 O VAL A 15 21.245 29.758 6.510 1.00 11.00 O ATOM 227 CB VAL A 15 22.778 31.341 4.179 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.591 32.111 4.766 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.005 32.258 4.152 1.00 10.96 C ATOM 0 H VAL A 15 21.672 28.619 4.455 1.00 3.11 H new ATOM 0 HA VAL A 15 24.174 30.072 5.195 1.00 10.10 H new ATOM 0 HB VAL A 15 22.521 31.019 3.170 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.385 32.986 4.150 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.713 31.466 4.785 1.00 15.82 H new ATOM 0 HG13 VAL A 15 21.830 32.429 5.781 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.786 33.142 3.553 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.255 32.561 5.169 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.849 31.724 3.715 1.00 10.96 H new ATOM 239 N VAL A 16 23.079 30.577 7.406 1.00 8.87 N ATOM 240 CA VAL A 16 22.469 30.610 8.763 1.00 5.41 C ATOM 241 C VAL A 16 22.568 32.012 9.375 1.00 6.62 C ATOM 242 O VAL A 16 23.636 32.579 9.493 1.00 8.94 O ATOM 243 CB VAL A 16 23.222 29.619 9.655 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.550 29.535 11.027 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.212 28.237 8.997 1.00 5.31 C ATOM 0 H VAL A 16 24.041 30.911 7.357 1.00 8.87 H new ATOM 0 HA VAL A 16 21.415 30.343 8.687 1.00 5.41 H new ATOM 0 HB VAL A 16 24.250 29.959 9.782 1.00 7.47 H new ATOM 0 HG11 VAL A 16 23.092 28.828 11.655 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.558 30.518 11.497 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.520 29.199 10.908 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.747 27.529 9.630 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.183 27.903 8.869 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.699 28.294 8.023 1.00 5.31 H new ATOM 255 N PHE A 17 21.458 32.558 9.795 1.00 5.51 N ATOM 256 CA PHE A 17 21.474 33.900 10.436 1.00 5.80 C ATOM 257 C PHE A 17 21.569 33.697 11.951 1.00 7.23 C ATOM 258 O PHE A 17 20.748 33.024 12.542 1.00 5.39 O ATOM 259 CB PHE A 17 20.188 34.644 10.081 1.00 5.73 C ATOM 260 CG PHE A 17 20.170 34.907 8.595 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.806 33.887 7.709 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.530 36.167 8.100 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.800 34.125 6.330 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.526 36.404 6.721 1.00 5.88 C ATOM 265 CZ PHE A 17 20.161 35.383 5.836 1.00 5.73 C ATOM 0 H PHE A 17 20.536 32.127 9.720 1.00 5.51 H new ATOM 0 HA PHE A 17 22.323 34.488 10.086 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.319 34.053 10.370 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.132 35.583 10.631 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.529 32.915 8.090 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.811 36.955 8.783 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.517 33.338 5.647 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.805 37.375 6.339 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.158 35.566 4.772 1.00 5.73 H new ATOM 275 N ILE A 18 22.580 34.236 12.584 1.00 8.64 N ATOM 276 CA ILE A 18 22.733 34.021 14.056 1.00 6.83 C ATOM 277 C ILE A 18 22.981 35.334 14.800 1.00 10.62 C ATOM 278 O ILE A 18 22.989 36.413 14.240 1.00 6.74 O ATOM 279 CB ILE A 18 23.935 33.097 14.303 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.194 33.713 13.683 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.678 31.723 13.672 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.408 32.857 14.049 1.00 8.36 C ATOM 0 H ILE A 18 23.301 34.812 12.150 1.00 8.64 H new ATOM 0 HA ILE A 18 21.807 33.581 14.426 1.00 6.83 H new ATOM 0 HB ILE A 18 24.076 32.979 15.377 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.089 33.771 12.600 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.331 34.732 14.045 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.535 31.074 13.852 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.787 31.279 14.117 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.529 31.838 12.598 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.306 33.292 13.610 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.515 32.822 15.133 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.270 31.846 13.665 1.00 8.36 H new ATOM 294 N LYS A 19 23.214 35.206 16.073 1.00 12.12 N ATOM 295 CA LYS A 19 23.508 36.364 16.951 1.00 15.62 C ATOM 296 C LYS A 19 24.596 35.873 17.911 1.00 16.36 C ATOM 297 O LYS A 19 24.286 35.193 18.866 1.00 13.35 O ATOM 298 CB LYS A 19 22.263 36.730 17.774 1.00 18.25 C ATOM 299 CG LYS A 19 21.357 37.690 16.998 1.00 25.24 C ATOM 300 CD LYS A 19 20.317 38.275 17.961 1.00 30.64 C ATOM 301 CE LYS A 19 19.155 38.890 17.176 1.00 31.75 C ATOM 302 NZ LYS A 19 19.629 40.095 16.439 1.00 38.73 N ATOM 0 H LYS A 19 23.212 34.309 16.558 1.00 12.12 H new ATOM 0 HA LYS A 19 23.810 37.238 16.374 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.710 35.825 18.026 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.566 37.190 18.714 1.00 18.25 H new ATOM 0 HG2 LYS A 19 21.949 38.489 16.551 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.862 37.165 16.181 1.00 25.24 H new ATOM 0 HD2 LYS A 19 19.944 37.494 18.624 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.781 39.033 18.592 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.750 38.160 16.476 1.00 31.75 H new ATOM 0 HE3 LYS A 19 18.348 39.162 17.856 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.834 40.520 15.921 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.011 40.787 17.115 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 20.373 39.820 15.767 1.00 38.73 H new ATOM 316 N PRO A 20 25.840 36.169 17.615 1.00 17.46 N ATOM 317 CA PRO A 20 26.964 35.687 18.442 1.00 20.12 C ATOM 318 C PRO A 20 26.731 36.010 19.924 1.00 24.12 C ATOM 319 O PRO A 20 27.382 36.857 20.500 1.00 24.58 O ATOM 320 CB PRO A 20 28.201 36.402 17.870 1.00 20.63 C ATOM 321 CG PRO A 20 27.769 37.086 16.547 1.00 18.08 C ATOM 322 CD PRO A 20 26.234 37.006 16.464 1.00 17.14 C ATOM 0 HA PRO A 20 27.082 34.604 18.405 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.580 37.139 18.578 1.00 20.63 H new ATOM 0 HB3 PRO A 20 29.007 35.690 17.689 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.100 38.124 16.526 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.226 36.588 15.691 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.782 37.996 16.521 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.911 36.562 15.522 1.00 17.14 H new ATOM 330 N THR A 21 25.805 35.324 20.549 1.00 24.78 N ATOM 331 CA THR A 21 25.532 35.581 21.989 1.00 27.36 C ATOM 332 C THR A 21 24.598 34.502 22.551 1.00 24.99 C ATOM 333 O THR A 21 24.677 34.151 23.712 1.00 26.49 O ATOM 334 CB THR A 21 24.869 36.953 22.149 1.00 28.64 C ATOM 335 OG1 THR A 21 25.634 37.936 21.465 1.00 30.99 O ATOM 336 CG2 THR A 21 24.789 37.311 23.631 1.00 34.82 C ATOM 0 H THR A 21 25.229 34.599 20.121 1.00 24.78 H new ATOM 0 HA THR A 21 26.475 35.560 22.535 1.00 27.36 H new ATOM 0 HB THR A 21 23.864 36.919 21.728 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.557 37.622 21.367 1.00 30.99 H new ATOM 0 HG21 THR A 21 24.317 38.287 23.745 1.00 34.82 H new ATOM 0 HG22 THR A 21 24.199 36.560 24.155 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.794 37.342 24.052 1.00 34.82 H new ATOM 344 N CYS A 22 23.703 33.980 21.749 1.00 21.46 N ATOM 345 CA CYS A 22 22.758 32.935 22.258 1.00 17.23 C ATOM 346 C CYS A 22 23.286 31.524 21.893 1.00 14.71 C ATOM 347 O CYS A 22 23.688 31.298 20.770 1.00 13.71 O ATOM 348 CB CYS A 22 21.382 33.164 21.619 1.00 15.71 C ATOM 349 SG CYS A 22 20.084 32.940 22.859 1.00 9.78 S ATOM 0 H CYS A 22 23.585 34.230 20.767 1.00 21.46 H new ATOM 0 HA CYS A 22 22.676 33.004 23.343 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.328 34.169 21.201 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.234 32.467 20.794 1.00 15.71 H new ATOM 354 N PRO A 23 23.283 30.616 22.853 1.00 13.86 N ATOM 355 CA PRO A 23 23.774 29.231 22.640 1.00 13.47 C ATOM 356 C PRO A 23 22.987 28.474 21.553 1.00 8.59 C ATOM 357 O PRO A 23 23.490 27.535 20.970 1.00 10.79 O ATOM 358 CB PRO A 23 23.589 28.533 23.993 1.00 11.94 C ATOM 359 CG PRO A 23 23.022 29.568 24.984 1.00 7.24 C ATOM 360 CD PRO A 23 22.811 30.887 24.223 1.00 12.58 C ATOM 0 HA PRO A 23 24.808 29.246 22.296 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.910 27.686 23.896 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.540 28.140 24.353 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.080 29.216 25.405 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.709 29.714 25.817 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.762 31.182 24.228 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.373 31.701 24.680 1.00 12.58 H new ATOM 368 N TYR A 24 21.765 28.844 21.278 1.00 0.00 N ATOM 369 CA TYR A 24 20.995 28.090 20.242 1.00 0.00 C ATOM 370 C TYR A 24 21.619 28.309 18.870 1.00 0.00 C ATOM 371 O TYR A 24 21.856 27.373 18.131 1.00 0.00 O ATOM 372 CB TYR A 24 19.543 28.569 20.216 1.00 0.00 C ATOM 373 CG TYR A 24 18.754 27.863 21.291 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.868 28.267 22.626 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.903 26.805 20.947 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.128 27.613 23.619 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.165 26.151 21.940 1.00 0.00 C ATOM 378 CZ TYR A 24 17.277 26.555 23.276 1.00 0.00 C ATOM 379 OH TYR A 24 16.549 25.911 24.254 1.00 0.00 O ATOM 0 H TYR A 24 21.272 29.622 21.716 1.00 0.00 H new ATOM 0 HA TYR A 24 21.022 27.029 20.490 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.503 29.647 20.371 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.102 28.371 19.239 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.526 29.082 22.890 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.816 26.494 19.916 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.214 27.925 24.650 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.509 25.335 21.676 1.00 0.00 H new ATOM 0 HH TYR A 24 16.009 25.202 23.846 1.00 0.00 H new ATOM 389 N SER A 25 21.902 29.526 18.520 1.00 0.00 N ATOM 390 CA SER A 25 22.519 29.770 17.195 1.00 0.00 C ATOM 391 C SER A 25 23.837 29.009 17.151 1.00 0.00 C ATOM 392 O SER A 25 24.244 28.496 16.128 1.00 0.00 O ATOM 393 CB SER A 25 22.781 31.267 17.025 1.00 0.00 C ATOM 394 OG SER A 25 22.080 31.981 18.033 1.00 0.00 O ATOM 0 H SER A 25 21.735 30.356 19.088 1.00 0.00 H new ATOM 0 HA SER A 25 21.860 29.436 16.394 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.849 31.472 17.094 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.457 31.595 16.038 1.00 0.00 H new ATOM 0 HG SER A 25 22.569 32.801 18.253 1.00 0.00 H new ATOM 400 N ARG A 26 24.492 28.914 18.269 1.00 16.21 N ATOM 401 CA ARG A 26 25.774 28.169 18.317 1.00 15.67 C ATOM 402 C ARG A 26 25.503 26.708 17.943 1.00 13.70 C ATOM 403 O ARG A 26 26.248 26.099 17.200 1.00 12.41 O ATOM 404 CB ARG A 26 26.342 28.253 19.746 1.00 22.04 C ATOM 405 CG ARG A 26 27.802 28.723 19.721 1.00 31.64 C ATOM 406 CD ARG A 26 28.713 27.536 19.411 1.00 43.08 C ATOM 407 NE ARG A 26 30.134 27.979 19.436 1.00 52.93 N ATOM 408 CZ ARG A 26 31.091 27.096 19.511 1.00 57.80 C ATOM 409 NH1 ARG A 26 30.804 25.824 19.586 1.00 58.61 N ATOM 410 NH2 ARG A 26 32.336 27.483 19.516 1.00 59.59 N ATOM 0 H ARG A 26 24.193 29.322 19.155 1.00 16.21 H new ATOM 0 HA ARG A 26 26.495 28.594 17.619 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.743 28.942 20.341 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.277 27.277 20.227 1.00 22.04 H new ATOM 0 HG2 ARG A 26 27.932 29.501 18.969 1.00 31.64 H new ATOM 0 HG3 ARG A 26 28.071 29.161 20.682 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.556 26.743 20.142 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.468 27.122 18.433 1.00 43.08 H new ATOM 0 HE ARG A 26 30.359 28.973 19.394 1.00 52.93 H new ATOM 0 HH11 ARG A 26 29.830 25.520 19.586 1.00 58.61 H new ATOM 0 HH12 ARG A 26 31.554 25.135 19.645 1.00 58.61 H new ATOM 0 HH21 ARG A 26 32.562 28.476 19.461 1.00 59.59 H new ATOM 0 HH22 ARG A 26 33.084 26.793 19.575 1.00 59.59 H new ATOM 424 N ARG A 27 24.437 26.143 18.446 1.00 0.00 N ATOM 425 CA ARG A 27 24.125 24.727 18.110 1.00 0.00 C ATOM 426 C ARG A 27 24.039 24.581 16.588 1.00 0.00 C ATOM 427 O ARG A 27 24.577 23.656 16.012 1.00 0.00 O ATOM 428 CB ARG A 27 22.785 24.322 18.746 1.00 0.00 C ATOM 429 CG ARG A 27 23.030 23.676 20.119 1.00 0.00 C ATOM 430 CD ARG A 27 21.713 23.609 20.902 1.00 0.00 C ATOM 431 NE ARG A 27 22.000 23.556 22.371 1.00 0.00 N ATOM 432 CZ ARG A 27 22.810 22.663 22.872 1.00 0.00 C ATOM 433 NH1 ARG A 27 23.272 21.698 22.127 1.00 0.00 N ATOM 434 NH2 ARG A 27 23.123 22.713 24.135 1.00 0.00 N ATOM 0 H ARG A 27 23.773 26.600 19.072 1.00 0.00 H new ATOM 0 HA ARG A 27 24.911 24.079 18.498 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.145 25.198 18.856 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.260 23.623 18.094 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.440 22.674 19.992 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.767 24.254 20.677 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.098 24.480 20.673 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.144 22.729 20.601 1.00 0.00 H new ATOM 0 HE ARG A 27 21.554 24.231 22.992 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.001 21.637 21.146 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.904 21.004 22.526 1.00 0.00 H new ATOM 0 HH21 ARG A 27 22.736 23.447 24.728 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.755 22.018 24.532 1.00 0.00 H new ATOM 448 N ALA A 28 23.370 25.488 15.929 1.00 0.00 N ATOM 449 CA ALA A 28 23.260 25.390 14.449 1.00 0.00 C ATOM 450 C ALA A 28 24.660 25.465 13.839 1.00 0.00 C ATOM 451 O ALA A 28 24.955 24.825 12.850 1.00 0.00 O ATOM 452 CB ALA A 28 22.403 26.543 13.915 1.00 0.00 C ATOM 0 H ALA A 28 22.898 26.288 16.350 1.00 0.00 H new ATOM 0 HA ALA A 28 22.791 24.444 14.179 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.325 26.467 12.830 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.407 26.490 14.355 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.866 27.494 14.180 1.00 0.00 H new ATOM 458 N GLN A 29 25.523 26.240 14.429 1.00 19.83 N ATOM 459 CA GLN A 29 26.906 26.360 13.898 1.00 20.83 C ATOM 460 C GLN A 29 27.664 25.053 14.147 1.00 20.95 C ATOM 461 O GLN A 29 28.418 24.586 13.316 1.00 22.85 O ATOM 462 CB GLN A 29 27.627 27.506 14.623 1.00 21.33 C ATOM 463 CG GLN A 29 27.055 28.865 14.187 1.00 34.02 C ATOM 464 CD GLN A 29 28.176 29.909 14.149 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.629 30.400 15.270 1.00 42.72 O flip ATOM 466 NE2 GLN A 29 28.642 30.281 13.091 1.00 45.49 N flip ATOM 0 H GLN A 29 25.329 26.798 15.260 1.00 19.83 H new ATOM 0 HA GLN A 29 26.869 26.563 12.828 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.517 27.388 15.701 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.694 27.467 14.405 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.593 28.777 13.204 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.274 29.181 14.879 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.288 29.897 12.215 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.387 30.977 13.079 1.00 45.49 H new ATOM 475 N GLU A 30 27.481 24.480 15.300 1.00 22.87 N ATOM 476 CA GLU A 30 28.194 23.218 15.649 1.00 23.32 C ATOM 477 C GLU A 30 27.634 22.020 14.875 1.00 22.32 C ATOM 478 O GLU A 30 28.367 21.143 14.466 1.00 25.42 O ATOM 479 CB GLU A 30 28.036 22.963 17.145 1.00 24.18 C ATOM 480 CG GLU A 30 28.734 24.075 17.927 1.00 32.27 C ATOM 481 CD GLU A 30 30.250 23.892 17.829 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.722 22.828 18.195 1.00 32.92 O ATOM 483 OE2 GLU A 30 30.911 24.817 17.389 1.00 34.69 O ATOM 0 H GLU A 30 26.860 24.835 16.027 1.00 22.87 H new ATOM 0 HA GLU A 30 29.245 23.332 15.381 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.979 22.926 17.409 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.464 21.995 17.407 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.448 25.049 17.529 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.421 24.052 18.971 1.00 32.27 H new ATOM 490 N ILE A 31 26.344 21.951 14.692 1.00 0.00 N ATOM 491 CA ILE A 31 25.764 20.780 13.974 1.00 0.00 C ATOM 492 C ILE A 31 26.085 20.878 12.478 1.00 0.00 C ATOM 493 O ILE A 31 26.681 19.984 11.909 1.00 0.00 O ATOM 494 CB ILE A 31 24.244 20.746 14.214 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.650 19.405 13.741 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.563 21.908 13.491 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.817 19.225 12.226 1.00 0.00 C ATOM 0 H ILE A 31 25.670 22.649 15.006 1.00 0.00 H new ATOM 0 HA ILE A 31 26.199 19.855 14.352 1.00 0.00 H new ATOM 0 HB ILE A 31 24.065 20.847 15.284 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.140 18.583 14.263 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.592 19.362 14.000 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.489 21.869 13.671 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.960 22.852 13.865 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.754 21.833 12.421 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.388 18.270 11.924 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.305 20.034 11.705 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.877 19.243 11.972 1.00 0.00 H new ATOM 509 N LEU A 32 25.713 21.944 11.829 1.00 16.72 N ATOM 510 CA LEU A 32 26.019 22.061 10.382 1.00 15.05 C ATOM 511 C LEU A 32 27.533 22.023 10.175 1.00 15.55 C ATOM 512 O LEU A 32 28.016 21.745 9.094 1.00 17.28 O ATOM 513 CB LEU A 32 25.433 23.372 9.848 1.00 12.57 C ATOM 514 CG LEU A 32 24.017 23.123 9.298 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.140 24.355 9.541 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.098 22.842 7.792 1.00 12.45 C ATOM 0 H LEU A 32 25.213 22.734 12.237 1.00 16.72 H new ATOM 0 HA LEU A 32 25.574 21.228 9.838 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.399 24.117 10.643 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.073 23.774 9.063 1.00 12.57 H new ATOM 0 HG LEU A 32 23.579 22.265 9.808 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.139 24.172 9.149 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.080 24.554 10.611 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.575 25.217 9.036 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.096 22.665 7.400 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.540 23.700 7.285 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.716 21.961 7.619 1.00 12.45 H new ATOM 528 N SER A 33 28.290 22.281 11.202 1.00 16.31 N ATOM 529 CA SER A 33 29.766 22.235 11.051 1.00 18.98 C ATOM 530 C SER A 33 30.187 20.787 10.773 1.00 18.49 C ATOM 531 O SER A 33 31.197 20.530 10.149 1.00 21.34 O ATOM 532 CB SER A 33 30.433 22.722 12.341 1.00 19.20 C ATOM 533 OG SER A 33 30.513 24.142 12.324 1.00 24.11 O ATOM 0 H SER A 33 27.952 22.520 12.134 1.00 16.31 H new ATOM 0 HA SER A 33 30.073 22.879 10.227 1.00 18.98 H new ATOM 0 HB2 SER A 33 29.861 22.389 13.207 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.430 22.292 12.433 1.00 19.20 H new ATOM 0 HG SER A 33 29.683 24.521 12.682 1.00 24.11 H new ATOM 539 N GLN A 34 29.416 19.838 11.244 1.00 20.00 N ATOM 540 CA GLN A 34 29.762 18.404 11.028 1.00 24.71 C ATOM 541 C GLN A 34 29.102 17.882 9.744 1.00 23.33 C ATOM 542 O GLN A 34 29.267 16.736 9.379 1.00 26.27 O ATOM 543 CB GLN A 34 29.274 17.585 12.227 1.00 28.15 C ATOM 544 CG GLN A 34 30.245 17.754 13.404 1.00 37.01 C ATOM 545 CD GLN A 34 29.882 19.011 14.197 1.00 41.74 C ATOM 546 OE1 GLN A 34 30.506 20.129 13.945 1.00 44.07 O flip ATOM 547 NE2 GLN A 34 29.023 18.974 15.054 1.00 41.20 N flip ATOM 0 H GLN A 34 28.558 19.999 11.771 1.00 20.00 H new ATOM 0 HA GLN A 34 30.843 18.308 10.927 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.275 17.910 12.518 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.200 16.532 11.954 1.00 28.15 H new ATOM 0 HG2 GLN A 34 30.202 16.879 14.052 1.00 37.01 H new ATOM 0 HG3 GLN A 34 31.268 17.828 13.036 1.00 37.01 H new ATOM 0 HE21 GLN A 34 28.536 18.100 15.250 1.00 41.20 H new ATOM 0 HE22 GLN A 34 28.788 19.817 15.578 1.00 41.20 H new ATOM 556 N LEU A 35 28.366 18.706 9.047 1.00 19.63 N ATOM 557 CA LEU A 35 27.719 18.237 7.787 1.00 15.93 C ATOM 558 C LEU A 35 28.704 18.442 6.623 1.00 13.36 C ATOM 559 O LEU A 35 29.242 19.520 6.474 1.00 16.12 O ATOM 560 CB LEU A 35 26.459 19.071 7.516 1.00 13.69 C ATOM 561 CG LEU A 35 25.258 18.535 8.314 1.00 11.57 C ATOM 562 CD1 LEU A 35 24.015 19.371 7.974 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.987 17.063 7.953 1.00 16.28 C ATOM 0 H LEU A 35 28.185 19.679 9.294 1.00 19.63 H new ATOM 0 HA LEU A 35 27.450 17.185 7.881 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.643 20.111 7.785 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.229 19.053 6.451 1.00 13.69 H new ATOM 0 HG LEU A 35 25.481 18.604 9.379 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.160 18.996 8.536 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.194 20.413 8.238 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.808 19.297 6.906 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.134 16.699 8.526 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.769 16.984 6.888 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.866 16.463 8.189 1.00 16.28 H new ATOM 575 N PRO A 36 28.922 17.416 5.825 1.00 16.38 N ATOM 576 CA PRO A 36 29.845 17.515 4.680 1.00 17.59 C ATOM 577 C PRO A 36 29.234 18.422 3.610 1.00 19.11 C ATOM 578 O PRO A 36 28.885 17.988 2.531 1.00 21.54 O ATOM 579 CB PRO A 36 29.980 16.077 4.163 1.00 16.71 C ATOM 580 CG PRO A 36 28.838 15.262 4.807 1.00 16.59 C ATOM 581 CD PRO A 36 28.290 16.091 5.981 1.00 15.74 C ATOM 0 HA PRO A 36 30.812 17.940 4.948 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.909 16.049 3.076 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.951 15.660 4.430 1.00 16.71 H new ATOM 0 HG2 PRO A 36 28.052 15.060 4.079 1.00 16.59 H new ATOM 0 HG3 PRO A 36 29.204 14.297 5.156 1.00 16.59 H new ATOM 0 HD2 PRO A 36 27.203 16.163 5.943 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.546 15.639 6.939 1.00 15.74 H new ATOM 589 N ILE A 37 29.102 19.677 3.902 1.00 0.00 N ATOM 590 CA ILE A 37 28.513 20.604 2.904 1.00 0.00 C ATOM 591 C ILE A 37 29.571 20.918 1.844 1.00 0.00 C ATOM 592 O ILE A 37 30.755 20.887 2.108 1.00 0.00 O ATOM 593 CB ILE A 37 28.077 21.896 3.601 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.890 21.589 4.540 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.685 22.941 2.542 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.563 21.765 3.799 1.00 0.00 C ATOM 0 H ILE A 37 29.375 20.104 4.787 1.00 0.00 H new ATOM 0 HA ILE A 37 27.644 20.145 2.433 1.00 0.00 H new ATOM 0 HB ILE A 37 28.897 22.299 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.971 20.569 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.921 22.252 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.374 23.861 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.541 23.146 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.862 22.557 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.737 21.545 4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.478 22.792 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.528 21.084 2.949 1.00 0.00 H new ATOM 608 N LYS A 38 29.155 21.194 0.639 1.00 12.68 N ATOM 609 CA LYS A 38 30.136 21.481 -0.442 1.00 12.78 C ATOM 610 C LYS A 38 31.111 22.580 -0.006 1.00 14.66 C ATOM 611 O LYS A 38 31.179 22.950 1.148 1.00 13.94 O ATOM 612 CB LYS A 38 29.385 21.920 -1.697 1.00 11.68 C ATOM 613 CG LYS A 38 28.668 20.713 -2.324 1.00 12.28 C ATOM 614 CD LYS A 38 29.500 20.159 -3.489 1.00 13.74 C ATOM 615 CE LYS A 38 29.222 20.973 -4.758 1.00 20.88 C ATOM 616 NZ LYS A 38 30.442 20.993 -5.612 1.00 29.41 N ATOM 0 H LYS A 38 28.176 21.233 0.357 1.00 12.68 H new ATOM 0 HA LYS A 38 30.709 20.578 -0.653 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.661 22.695 -1.446 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.081 22.355 -2.415 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.517 19.938 -1.573 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.681 21.009 -2.679 1.00 12.28 H new ATOM 0 HD2 LYS A 38 30.561 20.202 -3.243 1.00 13.74 H new ATOM 0 HD3 LYS A 38 29.254 19.110 -3.657 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.388 20.537 -5.307 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.933 21.990 -4.494 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 30.254 21.545 -6.473 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 31.227 21.428 -5.086 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 30.698 20.020 -5.874 1.00 29.41 H new ATOM 630 N GLN A 39 31.883 23.078 -0.932 1.00 0.00 N ATOM 631 CA GLN A 39 32.889 24.133 -0.614 1.00 0.00 C ATOM 632 C GLN A 39 32.261 25.314 0.136 1.00 0.00 C ATOM 633 O GLN A 39 31.676 25.161 1.190 1.00 0.00 O ATOM 634 CB GLN A 39 33.517 24.628 -1.919 1.00 0.00 C ATOM 635 CG GLN A 39 34.272 23.476 -2.585 1.00 0.00 C ATOM 636 CD GLN A 39 34.874 23.954 -3.908 1.00 0.00 C ATOM 637 OE1 GLN A 39 34.179 24.493 -4.746 1.00 0.00 O ATOM 638 NE2 GLN A 39 36.147 23.777 -4.130 1.00 0.00 N ATOM 0 H GLN A 39 31.859 22.794 -1.912 1.00 0.00 H new ATOM 0 HA GLN A 39 33.648 23.697 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.744 25.006 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.197 25.456 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.060 23.115 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 39 33.596 22.639 -2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.729 23.324 -3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.560 24.091 -5.008 1.00 0.00 H new ATOM 647 N GLY A 40 32.414 26.500 -0.391 1.00 11.96 N ATOM 648 CA GLY A 40 31.869 27.707 0.290 1.00 8.67 C ATOM 649 C GLY A 40 30.347 27.739 0.180 1.00 10.51 C ATOM 650 O GLY A 40 29.764 28.745 -0.171 1.00 15.27 O ATOM 0 H GLY A 40 32.897 26.684 -1.270 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.164 27.705 1.339 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.291 28.607 -0.158 1.00 8.67 H new ATOM 654 N LEU A 41 29.700 26.654 0.483 1.00 8.78 N ATOM 655 CA LEU A 41 28.210 26.629 0.398 1.00 6.78 C ATOM 656 C LEU A 41 27.625 26.917 1.774 1.00 7.45 C ATOM 657 O LEU A 41 26.580 27.524 1.908 1.00 2.18 O ATOM 658 CB LEU A 41 27.745 25.236 -0.049 1.00 6.98 C ATOM 659 CG LEU A 41 26.876 25.341 -1.308 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.773 25.450 -2.542 1.00 7.97 C ATOM 661 CD2 LEU A 41 25.985 24.095 -1.417 1.00 6.68 C ATOM 0 H LEU A 41 30.133 25.782 0.786 1.00 8.78 H new ATOM 0 HA LEU A 41 27.877 27.380 -0.319 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.610 24.603 -0.248 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.180 24.760 0.752 1.00 6.98 H new ATOM 0 HG LEU A 41 26.247 26.229 -1.246 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.154 25.525 -3.436 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.399 26.338 -2.459 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.406 24.565 -2.611 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.366 24.167 -2.311 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.611 23.205 -1.480 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.345 24.027 -0.537 1.00 6.68 H new ATOM 673 N LEU A 42 28.292 26.475 2.794 1.00 7.13 N ATOM 674 CA LEU A 42 27.783 26.696 4.170 1.00 6.20 C ATOM 675 C LEU A 42 28.385 27.979 4.735 1.00 5.03 C ATOM 676 O LEU A 42 29.571 28.224 4.632 1.00 5.38 O ATOM 677 CB LEU A 42 28.194 25.507 5.040 1.00 3.82 C ATOM 678 CG LEU A 42 27.760 25.738 6.491 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.235 25.856 6.564 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.222 24.555 7.349 1.00 2.48 C ATOM 0 H LEU A 42 29.174 25.966 2.735 1.00 7.13 H new ATOM 0 HA LEU A 42 26.697 26.788 4.157 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.739 24.593 4.658 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.274 25.369 4.993 1.00 3.82 H new ATOM 0 HG LEU A 42 28.208 26.660 6.861 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.932 26.020 7.598 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.905 26.695 5.952 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.781 24.937 6.194 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.916 24.714 8.383 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.771 23.636 6.974 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.308 24.473 7.301 1.00 2.48 H new ATOM 692 N GLU A 43 27.570 28.802 5.330 1.00 5.92 N ATOM 693 CA GLU A 43 28.079 30.073 5.906 1.00 7.54 C ATOM 694 C GLU A 43 27.321 30.374 7.198 1.00 6.00 C ATOM 695 O GLU A 43 26.370 29.701 7.546 1.00 4.97 O ATOM 696 CB GLU A 43 27.851 31.206 4.900 1.00 8.77 C ATOM 697 CG GLU A 43 28.331 32.536 5.491 1.00 16.17 C ATOM 698 CD GLU A 43 28.565 33.543 4.363 1.00 21.65 C ATOM 699 OE1 GLU A 43 29.431 33.292 3.542 1.00 22.03 O ATOM 700 OE2 GLU A 43 27.872 34.547 4.339 1.00 19.19 O ATOM 0 H GLU A 43 26.568 28.647 5.442 1.00 5.92 H new ATOM 0 HA GLU A 43 29.144 29.986 6.120 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.387 30.995 3.975 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.793 31.272 4.647 1.00 8.77 H new ATOM 0 HG2 GLU A 43 27.590 32.923 6.190 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.252 32.384 6.054 1.00 16.17 H new ATOM 707 N PHE A 44 27.725 31.395 7.898 1.00 7.78 N ATOM 708 CA PHE A 44 27.033 31.782 9.159 1.00 9.60 C ATOM 709 C PHE A 44 26.896 33.303 9.147 1.00 6.71 C ATOM 710 O PHE A 44 27.870 34.027 9.225 1.00 6.85 O ATOM 711 CB PHE A 44 27.855 31.321 10.364 1.00 12.09 C ATOM 712 CG PHE A 44 28.281 29.886 10.154 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.404 28.839 10.470 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.552 29.601 9.641 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.801 27.509 10.274 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.948 28.273 9.446 1.00 16.33 C ATOM 717 CZ PHE A 44 29.073 27.227 9.762 1.00 10.85 C ATOM 0 H PHE A 44 28.517 31.987 7.647 1.00 7.78 H new ATOM 0 HA PHE A 44 26.051 31.314 9.231 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.730 31.959 10.488 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.265 31.408 11.277 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.423 29.057 10.864 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.228 30.407 9.395 1.00 15.90 H new ATOM 0 HE1 PHE A 44 27.126 26.702 10.518 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.929 28.055 9.051 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.379 26.202 9.611 1.00 10.85 H new ATOM 727 N VAL A 45 25.698 33.793 8.986 1.00 6.10 N ATOM 728 CA VAL A 45 25.496 35.267 8.895 1.00 6.58 C ATOM 729 C VAL A 45 25.134 35.881 10.252 1.00 6.12 C ATOM 730 O VAL A 45 24.033 35.740 10.743 1.00 5.14 O ATOM 731 CB VAL A 45 24.369 35.532 7.894 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.034 37.024 7.876 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.822 35.091 6.499 1.00 2.33 C ATOM 0 H VAL A 45 24.848 33.235 8.913 1.00 6.10 H new ATOM 0 HA VAL A 45 26.428 35.729 8.570 1.00 6.58 H new ATOM 0 HB VAL A 45 23.482 34.971 8.187 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.231 37.208 7.162 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.715 37.337 8.870 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.917 37.592 7.583 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.023 35.277 5.781 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.709 35.655 6.209 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.057 34.027 6.512 1.00 2.33 H new ATOM 743 N ASP A 46 26.060 36.590 10.844 1.00 6.79 N ATOM 744 CA ASP A 46 25.791 37.254 12.148 1.00 6.49 C ATOM 745 C ASP A 46 25.068 38.578 11.882 1.00 9.11 C ATOM 746 O ASP A 46 25.677 39.562 11.511 1.00 7.52 O ATOM 747 CB ASP A 46 27.121 37.520 12.851 1.00 7.84 C ATOM 748 CG ASP A 46 27.929 36.223 12.900 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.456 35.233 12.365 1.00 15.32 O ATOM 750 OD2 ASP A 46 29.007 36.239 13.471 1.00 10.50 O ATOM 0 H ASP A 46 26.999 36.737 10.474 1.00 6.79 H new ATOM 0 HA ASP A 46 25.170 36.619 12.780 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.679 38.291 12.320 1.00 7.84 H new ATOM 0 HB3 ASP A 46 26.945 37.892 13.860 1.00 7.84 H new ATOM 755 N ILE A 47 23.774 38.605 12.040 1.00 8.21 N ATOM 756 CA ILE A 47 23.016 39.861 11.765 1.00 8.33 C ATOM 757 C ILE A 47 23.397 40.965 12.757 1.00 10.92 C ATOM 758 O ILE A 47 22.858 42.054 12.713 1.00 9.40 O ATOM 759 CB ILE A 47 21.515 39.587 11.835 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.163 38.942 13.175 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.130 38.638 10.703 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.644 38.949 13.353 1.00 7.93 C ATOM 0 H ILE A 47 23.208 37.814 12.347 1.00 8.21 H new ATOM 0 HA ILE A 47 23.274 40.204 10.763 1.00 8.33 H new ATOM 0 HB ILE A 47 20.971 40.527 11.738 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.541 37.920 13.211 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.639 39.486 13.990 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.060 38.437 10.745 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.376 39.096 9.745 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.680 37.703 10.810 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.387 38.490 14.308 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.280 39.976 13.335 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.180 38.386 12.543 1.00 7.93 H new ATOM 774 N THR A 48 24.326 40.712 13.640 1.00 13.41 N ATOM 775 CA THR A 48 24.732 41.774 14.609 1.00 16.67 C ATOM 776 C THR A 48 25.953 42.499 14.046 1.00 16.58 C ATOM 777 O THR A 48 26.153 43.677 14.272 1.00 18.03 O ATOM 778 CB THR A 48 25.094 41.142 15.959 1.00 15.80 C ATOM 779 OG1 THR A 48 26.324 40.441 15.838 1.00 21.06 O ATOM 780 CG2 THR A 48 23.991 40.173 16.389 1.00 21.72 C ATOM 0 H THR A 48 24.819 39.824 13.733 1.00 13.41 H new ATOM 0 HA THR A 48 23.909 42.473 14.757 1.00 16.67 H new ATOM 0 HB THR A 48 25.194 41.926 16.710 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.557 40.038 16.700 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.253 39.727 17.348 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.049 40.713 16.485 1.00 21.72 H new ATOM 0 HG23 THR A 48 23.884 39.388 15.641 1.00 21.72 H new ATOM 788 N ALA A 49 26.765 41.801 13.302 1.00 15.36 N ATOM 789 CA ALA A 49 27.971 42.436 12.702 1.00 18.08 C ATOM 790 C ALA A 49 27.576 43.192 11.428 1.00 20.63 C ATOM 791 O ALA A 49 28.393 43.426 10.559 1.00 22.45 O ATOM 792 CB ALA A 49 28.992 41.351 12.354 1.00 18.76 C ATOM 0 H ALA A 49 26.644 40.812 13.083 1.00 15.36 H new ATOM 0 HA ALA A 49 28.407 43.135 13.416 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.877 41.811 11.914 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.275 40.813 13.259 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.553 40.654 11.640 1.00 18.76 H new ATOM 798 N THR A 50 26.328 43.566 11.302 1.00 22.30 N ATOM 799 CA THR A 50 25.885 44.296 10.073 1.00 25.27 C ATOM 800 C THR A 50 24.880 45.393 10.448 1.00 24.34 C ATOM 801 O THR A 50 24.426 46.142 9.606 1.00 25.49 O ATOM 802 CB THR A 50 25.227 43.309 9.104 1.00 22.85 C ATOM 803 OG1 THR A 50 24.980 43.958 7.865 1.00 23.28 O ATOM 804 CG2 THR A 50 23.905 42.810 9.694 1.00 25.63 C ATOM 0 H THR A 50 25.598 43.399 11.994 1.00 22.30 H new ATOM 0 HA THR A 50 26.752 44.755 9.597 1.00 25.27 H new ATOM 0 HB THR A 50 25.892 42.460 8.945 1.00 22.85 H new ATOM 0 HG1 THR A 50 24.685 44.878 8.031 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.440 42.108 9.002 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.096 42.310 10.644 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.237 43.656 9.857 1.00 25.63 H new ATOM 812 N ASN A 51 24.537 45.491 11.705 1.00 0.00 N ATOM 813 CA ASN A 51 23.574 46.541 12.157 1.00 0.00 C ATOM 814 C ASN A 51 22.193 46.286 11.541 1.00 0.00 C ATOM 815 O ASN A 51 21.928 45.229 11.002 1.00 0.00 O ATOM 816 CB ASN A 51 24.094 47.937 11.780 1.00 0.00 C ATOM 817 CG ASN A 51 25.039 48.428 12.879 1.00 0.00 C ATOM 818 OD1 ASN A 51 25.724 47.641 13.501 1.00 0.00 O ATOM 819 ND2 ASN A 51 25.108 49.703 13.146 1.00 0.00 N ATOM 0 H ASN A 51 24.886 44.883 12.446 1.00 0.00 H new ATOM 0 HA ASN A 51 23.480 46.496 13.242 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.616 47.899 10.824 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.261 48.630 11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 51 25.737 50.038 13.876 1.00 0.00 H new ATOM 0 HD22 ASN A 51 24.533 50.365 12.625 1.00 0.00 H new ATOM 826 N HIS A 52 21.300 47.233 11.650 1.00 0.00 N ATOM 827 CA HIS A 52 19.923 47.033 11.107 1.00 0.00 C ATOM 828 C HIS A 52 19.385 45.709 11.654 1.00 0.00 C ATOM 829 O HIS A 52 18.466 45.127 11.118 1.00 0.00 O ATOM 830 CB HIS A 52 19.922 46.993 9.566 1.00 0.00 C ATOM 831 CG HIS A 52 21.291 47.264 9.014 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.089 48.301 9.470 1.00 0.00 N ATOM 833 CD2 HIS A 52 22.002 46.655 8.012 1.00 0.00 C ATOM 834 CE1 HIS A 52 23.223 48.288 8.744 1.00 0.00 C ATOM 835 NE2 HIS A 52 23.221 47.302 7.841 1.00 0.00 N ATOM 0 H HIS A 52 21.464 48.138 12.092 1.00 0.00 H new ATOM 0 HA HIS A 52 19.294 47.869 11.415 1.00 0.00 H new ATOM 0 HB2 HIS A 52 19.577 46.017 9.225 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.219 47.732 9.181 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.666 45.802 7.442 1.00 0.00 H new ATOM 0 HE1 HIS A 52 24.035 48.988 8.875 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.955 47.074 7.171 1.00 0.00 H new ATOM 843 N THR A 53 19.974 45.231 12.713 1.00 18.27 N ATOM 844 CA THR A 53 19.541 43.939 13.314 1.00 16.01 C ATOM 845 C THR A 53 18.020 43.767 13.198 1.00 16.57 C ATOM 846 O THR A 53 17.538 42.842 12.576 1.00 18.87 O ATOM 847 CB THR A 53 19.951 43.924 14.792 1.00 15.02 C ATOM 848 OG1 THR A 53 20.948 44.913 15.012 1.00 13.32 O ATOM 849 CG2 THR A 53 20.511 42.550 15.164 1.00 9.59 C ATOM 0 H THR A 53 20.749 45.687 13.195 1.00 18.27 H new ATOM 0 HA THR A 53 20.018 43.117 12.780 1.00 16.01 H new ATOM 0 HB THR A 53 19.078 44.134 15.409 1.00 15.02 H new ATOM 0 HG1 THR A 53 21.211 44.908 15.956 1.00 13.32 H new ATOM 0 HG21 THR A 53 20.800 42.547 16.215 1.00 9.59 H new ATOM 0 HG22 THR A 53 19.749 41.789 14.995 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.383 42.334 14.547 1.00 9.59 H new ATOM 857 N ASN A 54 17.265 44.637 13.808 1.00 13.94 N ATOM 858 CA ASN A 54 15.779 44.507 13.757 1.00 18.93 C ATOM 859 C ASN A 54 15.286 44.471 12.309 1.00 16.34 C ATOM 860 O ASN A 54 14.344 43.776 11.992 1.00 15.61 O ATOM 861 CB ASN A 54 15.135 45.692 14.481 1.00 24.12 C ATOM 862 CG ASN A 54 15.734 45.830 15.882 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.934 45.747 16.054 1.00 45.21 O ATOM 864 ND2 ASN A 54 14.942 46.039 16.899 1.00 37.58 N ATOM 0 H ASN A 54 17.612 45.434 14.341 1.00 13.94 H new ATOM 0 HA ASN A 54 15.498 43.574 14.246 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.298 46.609 13.914 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.057 45.546 14.549 1.00 24.12 H new ATOM 0 HD21 ASN A 54 15.331 46.133 17.837 1.00 37.58 H new ATOM 0 HD22 ASN A 54 13.935 46.109 16.755 1.00 37.58 H new ATOM 871 N GLU A 55 15.893 45.217 11.431 1.00 16.09 N ATOM 872 CA GLU A 55 15.421 45.217 10.019 1.00 15.04 C ATOM 873 C GLU A 55 15.562 43.814 9.422 1.00 15.56 C ATOM 874 O GLU A 55 14.666 43.326 8.763 1.00 18.95 O ATOM 875 CB GLU A 55 16.246 46.215 9.201 1.00 18.55 C ATOM 876 CG GLU A 55 15.842 47.645 9.571 1.00 23.55 C ATOM 877 CD GLU A 55 15.824 47.804 11.093 1.00 30.41 C ATOM 878 OE1 GLU A 55 16.888 47.982 11.663 1.00 33.02 O ATOM 879 OE2 GLU A 55 14.746 47.746 11.663 1.00 31.49 O ATOM 0 H GLU A 55 16.690 45.823 11.627 1.00 16.09 H new ATOM 0 HA GLU A 55 14.371 45.510 9.992 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.309 46.066 9.392 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.087 46.046 8.136 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.542 48.355 9.131 1.00 23.55 H new ATOM 0 HG3 GLU A 55 14.858 47.872 9.161 1.00 23.55 H new ATOM 886 N ILE A 56 16.667 43.151 9.639 1.00 9.56 N ATOM 887 CA ILE A 56 16.818 41.785 9.063 1.00 8.91 C ATOM 888 C ILE A 56 15.815 40.834 9.724 1.00 7.70 C ATOM 889 O ILE A 56 15.039 40.187 9.052 1.00 9.84 O ATOM 890 CB ILE A 56 18.249 41.272 9.276 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.198 41.951 8.270 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.284 39.752 9.066 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.833 43.186 8.910 1.00 8.03 C ATOM 0 H ILE A 56 17.461 43.491 10.182 1.00 9.56 H new ATOM 0 HA ILE A 56 16.621 41.828 7.992 1.00 8.91 H new ATOM 0 HB ILE A 56 18.570 41.507 10.291 1.00 5.82 H new ATOM 0 HG12 ILE A 56 19.974 41.252 7.959 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.648 42.237 7.373 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.300 39.387 9.217 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.616 39.271 9.780 1.00 2.31 H new ATOM 0 HG23 ILE A 56 17.961 39.517 8.052 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.503 43.663 8.195 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.051 43.889 9.199 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.398 42.888 9.794 1.00 8.03 H new ATOM 905 N GLN A 57 15.802 40.742 11.028 1.00 7.49 N ATOM 906 CA GLN A 57 14.822 39.824 11.673 1.00 6.88 C ATOM 907 C GLN A 57 13.435 40.235 11.219 1.00 9.50 C ATOM 908 O GLN A 57 12.614 39.420 10.845 1.00 11.03 O ATOM 909 CB GLN A 57 14.889 39.949 13.194 1.00 11.02 C ATOM 910 CG GLN A 57 16.339 40.132 13.642 1.00 12.13 C ATOM 911 CD GLN A 57 16.550 39.434 14.989 1.00 16.77 C ATOM 912 OE1 GLN A 57 16.598 40.148 16.082 1.00 17.49 O flip ATOM 913 NE2 GLN A 57 16.671 38.227 15.048 1.00 17.84 N flip ATOM 0 H GLN A 57 16.416 41.253 11.663 1.00 7.49 H new ATOM 0 HA GLN A 57 15.048 38.795 11.393 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.288 40.797 13.524 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.466 39.058 13.659 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.016 39.717 12.896 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.572 41.193 13.730 1.00 12.13 H new ATOM 0 HE21 GLN A 57 16.634 37.668 14.195 1.00 17.84 H new ATOM 0 HE22 GLN A 57 16.810 37.772 15.950 1.00 17.84 H new ATOM 922 N ASP A 58 13.178 41.508 11.233 1.00 13.48 N ATOM 923 CA ASP A 58 11.857 41.994 10.786 1.00 13.94 C ATOM 924 C ASP A 58 11.606 41.413 9.404 1.00 13.32 C ATOM 925 O ASP A 58 10.496 41.072 9.046 1.00 14.28 O ATOM 926 CB ASP A 58 11.878 43.521 10.705 1.00 12.80 C ATOM 927 CG ASP A 58 11.757 44.114 12.110 1.00 17.19 C ATOM 928 OD1 ASP A 58 12.121 43.433 13.053 1.00 15.13 O ATOM 929 OD2 ASP A 58 11.302 45.241 12.218 1.00 18.84 O ATOM 0 H ASP A 58 13.829 42.232 11.536 1.00 13.48 H new ATOM 0 HA ASP A 58 11.074 41.691 11.481 1.00 13.94 H new ATOM 0 HB2 ASP A 58 12.803 43.857 10.236 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.058 43.873 10.079 1.00 12.80 H new ATOM 934 N TYR A 59 12.649 41.277 8.631 1.00 12.69 N ATOM 935 CA TYR A 59 12.493 40.692 7.273 1.00 10.10 C ATOM 936 C TYR A 59 12.379 39.171 7.390 1.00 7.75 C ATOM 937 O TYR A 59 11.514 38.560 6.795 1.00 5.81 O ATOM 938 CB TYR A 59 13.694 41.047 6.396 1.00 12.40 C ATOM 939 CG TYR A 59 13.422 40.560 4.995 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.666 39.223 4.660 1.00 6.81 C ATOM 941 CD2 TYR A 59 12.913 41.441 4.034 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.403 38.768 3.363 1.00 10.94 C ATOM 943 CE2 TYR A 59 12.648 40.985 2.738 1.00 8.47 C ATOM 944 CZ TYR A 59 12.894 39.649 2.402 1.00 9.37 C ATOM 945 OH TYR A 59 12.631 39.199 1.124 1.00 12.99 O ATOM 0 H TYR A 59 13.600 41.546 8.882 1.00 12.69 H new ATOM 0 HA TYR A 59 11.592 41.099 6.814 1.00 10.10 H new ATOM 0 HB2 TYR A 59 13.859 42.124 6.397 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.600 40.585 6.789 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.057 38.543 5.402 1.00 6.81 H new ATOM 0 HD2 TYR A 59 12.725 42.473 4.293 1.00 11.52 H new ATOM 0 HE1 TYR A 59 13.593 37.737 3.104 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.254 41.664 1.997 1.00 8.47 H new ATOM 0 HH TYR A 59 12.282 39.937 0.583 1.00 12.99 H new ATOM 955 N LEU A 60 13.241 38.548 8.157 1.00 10.71 N ATOM 956 CA LEU A 60 13.157 37.066 8.300 1.00 11.04 C ATOM 957 C LEU A 60 11.732 36.709 8.700 1.00 10.32 C ATOM 958 O LEU A 60 11.169 35.733 8.250 1.00 14.61 O ATOM 959 CB LEU A 60 14.124 36.575 9.384 1.00 7.24 C ATOM 960 CG LEU A 60 15.565 36.936 9.011 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.513 36.399 10.087 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.925 36.313 7.656 1.00 7.23 C ATOM 0 H LEU A 60 13.990 38.998 8.683 1.00 10.71 H new ATOM 0 HA LEU A 60 13.426 36.592 7.356 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.865 37.024 10.343 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.031 35.495 9.503 1.00 7.24 H new ATOM 0 HG LEU A 60 15.660 38.020 8.942 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.540 36.653 9.826 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.262 36.845 11.049 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.413 35.316 10.152 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.951 36.574 7.397 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.831 35.229 7.717 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.249 36.693 6.890 1.00 7.23 H new ATOM 974 N GLN A 61 11.142 37.511 9.533 1.00 10.78 N ATOM 975 CA GLN A 61 9.749 37.246 9.960 1.00 11.72 C ATOM 976 C GLN A 61 8.860 37.181 8.716 1.00 14.05 C ATOM 977 O GLN A 61 8.170 36.211 8.480 1.00 14.24 O ATOM 978 CB GLN A 61 9.297 38.394 10.864 1.00 17.47 C ATOM 979 CG GLN A 61 7.883 38.133 11.378 1.00 25.06 C ATOM 980 CD GLN A 61 7.938 37.156 12.553 1.00 31.26 C ATOM 981 OE1 GLN A 61 9.066 36.569 12.843 1.00 40.45 O flip ATOM 982 NE2 GLN A 61 6.945 36.924 13.214 1.00 30.05 N flip ATOM 0 H GLN A 61 11.568 38.344 9.939 1.00 10.78 H new ATOM 0 HA GLN A 61 9.681 36.303 10.502 1.00 11.72 H new ATOM 0 HB2 GLN A 61 9.984 38.498 11.704 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.324 39.334 10.312 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.420 39.069 11.691 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.265 37.723 10.579 1.00 25.06 H new ATOM 0 HE21 GLN A 61 6.063 37.383 12.987 1.00 30.05 H new ATOM 0 HE22 GLN A 61 6.994 36.270 13.995 1.00 30.05 H new ATOM 991 N GLN A 62 8.878 38.211 7.917 1.00 15.71 N ATOM 992 CA GLN A 62 8.045 38.221 6.687 1.00 18.54 C ATOM 993 C GLN A 62 8.566 37.163 5.704 1.00 19.36 C ATOM 994 O GLN A 62 7.822 36.608 4.919 1.00 19.52 O ATOM 995 CB GLN A 62 8.135 39.612 6.048 1.00 25.59 C ATOM 996 CG GLN A 62 7.061 40.527 6.646 1.00 34.08 C ATOM 997 CD GLN A 62 5.698 40.171 6.052 1.00 38.28 C ATOM 998 OE1 GLN A 62 4.753 39.928 6.775 1.00 41.81 O ATOM 999 NE2 GLN A 62 5.555 40.128 4.755 1.00 36.81 N ATOM 0 H GLN A 62 9.438 39.050 8.066 1.00 15.71 H new ATOM 0 HA GLN A 62 7.008 37.993 6.935 1.00 18.54 H new ATOM 0 HB2 GLN A 62 9.124 40.037 6.218 1.00 25.59 H new ATOM 0 HB3 GLN A 62 8.002 39.536 4.969 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.037 40.417 7.730 1.00 34.08 H new ATOM 0 HG3 GLN A 62 7.299 41.570 6.437 1.00 34.08 H new ATOM 0 HE21 GLN A 62 6.348 40.332 4.147 1.00 36.81 H new ATOM 0 HE22 GLN A 62 4.650 39.890 4.349 1.00 36.81 H new ATOM 1008 N LEU A 63 9.840 36.876 5.747 1.00 17.09 N ATOM 1009 CA LEU A 63 10.416 35.856 4.822 1.00 16.00 C ATOM 1010 C LEU A 63 9.819 34.487 5.127 1.00 11.34 C ATOM 1011 O LEU A 63 9.091 33.917 4.337 1.00 10.68 O ATOM 1012 CB LEU A 63 11.935 35.792 5.022 1.00 19.91 C ATOM 1013 CG LEU A 63 12.608 35.126 3.819 1.00 21.77 C ATOM 1014 CD1 LEU A 63 14.106 34.978 4.096 1.00 21.25 C ATOM 1015 CD2 LEU A 63 12.009 33.738 3.563 1.00 19.51 C ATOM 0 H LEU A 63 10.509 37.306 6.386 1.00 17.09 H new ATOM 0 HA LEU A 63 10.185 36.134 3.793 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.332 36.798 5.157 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.165 35.234 5.930 1.00 19.91 H new ATOM 0 HG LEU A 63 12.445 35.749 2.940 1.00 21.77 H new ATOM 0 HD11 LEU A 63 14.589 34.504 3.241 1.00 21.25 H new ATOM 0 HD12 LEU A 63 14.545 35.962 4.261 1.00 21.25 H new ATOM 0 HD13 LEU A 63 14.253 34.362 4.983 1.00 21.25 H new ATOM 0 HD21 LEU A 63 12.501 33.282 2.704 1.00 19.51 H new ATOM 0 HD22 LEU A 63 12.157 33.110 4.442 1.00 19.51 H new ATOM 0 HD23 LEU A 63 10.942 33.834 3.361 1.00 19.51 H new ATOM 1027 N THR A 64 10.147 33.952 6.265 1.00 10.04 N ATOM 1028 CA THR A 64 9.634 32.603 6.644 1.00 8.87 C ATOM 1029 C THR A 64 8.511 32.748 7.671 1.00 10.75 C ATOM 1030 O THR A 64 7.426 32.231 7.486 1.00 11.38 O ATOM 1031 CB THR A 64 10.776 31.765 7.241 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.309 31.067 8.389 1.00 6.36 O ATOM 1033 CG2 THR A 64 11.942 32.674 7.640 1.00 6.96 C ATOM 0 H THR A 64 10.753 34.392 6.957 1.00 10.04 H new ATOM 0 HA THR A 64 9.246 32.103 5.756 1.00 8.87 H new ATOM 0 HB THR A 64 11.118 31.051 6.492 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.039 30.533 8.766 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.746 32.071 8.062 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.309 33.203 6.760 1.00 6.96 H new ATOM 0 HG23 THR A 64 11.603 33.396 8.382 1.00 6.96 H new ATOM 1041 N GLY A 65 8.740 33.452 8.747 1.00 10.19 N ATOM 1042 CA GLY A 65 7.651 33.613 9.752 1.00 13.28 C ATOM 1043 C GLY A 65 8.223 33.840 11.154 1.00 14.66 C ATOM 1044 O GLY A 65 7.733 34.662 11.902 1.00 14.79 O ATOM 0 H GLY A 65 9.620 33.916 8.971 1.00 10.19 H new ATOM 0 HA2 GLY A 65 7.017 34.455 9.474 1.00 13.28 H new ATOM 0 HA3 GLY A 65 7.019 32.725 9.753 1.00 13.28 H new ATOM 1048 N ALA A 66 9.236 33.109 11.534 1.00 12.02 N ATOM 1049 CA ALA A 66 9.803 33.282 12.905 1.00 9.85 C ATOM 1050 C ALA A 66 11.014 34.215 12.875 1.00 14.04 C ATOM 1051 O ALA A 66 11.796 34.217 11.945 1.00 17.81 O ATOM 1052 CB ALA A 66 10.221 31.917 13.452 1.00 13.74 C ATOM 0 H ALA A 66 9.694 32.403 10.959 1.00 12.02 H new ATOM 0 HA ALA A 66 9.042 33.724 13.548 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.636 32.038 14.453 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.352 31.261 13.496 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.974 31.478 12.798 1.00 13.74 H new ATOM 1058 N ARG A 67 11.170 35.000 13.907 1.00 15.81 N ATOM 1059 CA ARG A 67 12.320 35.943 13.992 1.00 16.07 C ATOM 1060 C ARG A 67 13.256 35.470 15.106 1.00 14.37 C ATOM 1061 O ARG A 67 13.993 36.240 15.690 1.00 14.43 O ATOM 1062 CB ARG A 67 11.790 37.341 14.324 1.00 15.97 C ATOM 1063 CG ARG A 67 10.767 37.266 15.477 1.00 17.12 C ATOM 1064 CD ARG A 67 11.232 38.141 16.645 1.00 22.31 C ATOM 1065 NE ARG A 67 11.285 39.564 16.214 1.00 23.80 N ATOM 1066 CZ ARG A 67 11.343 40.511 17.109 1.00 23.98 C ATOM 1067 NH1 ARG A 67 11.337 40.208 18.378 1.00 29.76 N ATOM 1068 NH2 ARG A 67 11.405 41.759 16.736 1.00 21.50 N ATOM 0 H ARG A 67 10.538 35.027 14.707 1.00 15.81 H new ATOM 0 HA ARG A 67 12.860 35.974 13.046 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.617 37.994 14.604 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.323 37.779 13.442 1.00 15.97 H new ATOM 0 HG2 ARG A 67 9.789 37.599 15.129 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.654 36.234 15.807 1.00 17.12 H new ATOM 0 HD2 ARG A 67 10.550 38.031 17.488 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.215 37.817 16.986 1.00 22.31 H new ATOM 0 HE ARG A 67 11.276 39.798 15.221 1.00 23.80 H new ATOM 0 HH11 ARG A 67 11.287 39.232 18.669 1.00 29.76 H new ATOM 0 HH12 ARG A 67 11.382 40.947 19.079 1.00 29.76 H new ATOM 0 HH21 ARG A 67 11.408 41.995 15.744 1.00 21.50 H new ATOM 0 HH22 ARG A 67 11.450 42.499 17.437 1.00 21.50 H new ATOM 1082 N THR A 68 13.200 34.205 15.413 1.00 13.52 N ATOM 1083 CA THR A 68 14.046 33.634 16.502 1.00 14.97 C ATOM 1084 C THR A 68 15.461 33.324 15.982 1.00 12.85 C ATOM 1085 O THR A 68 15.717 33.345 14.795 1.00 10.80 O ATOM 1086 CB THR A 68 13.385 32.331 16.978 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.127 32.183 16.333 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.172 32.354 18.493 1.00 14.06 C ATOM 0 H THR A 68 12.594 33.529 14.948 1.00 13.52 H new ATOM 0 HA THR A 68 14.130 34.352 17.318 1.00 14.97 H new ATOM 0 HB THR A 68 14.039 31.496 16.728 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.702 31.352 16.632 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.703 31.422 18.809 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.134 32.464 18.994 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.527 33.192 18.757 1.00 14.06 H new ATOM 1096 N VAL A 69 16.373 33.006 16.872 1.00 8.20 N ATOM 1097 CA VAL A 69 17.770 32.659 16.456 1.00 5.92 C ATOM 1098 C VAL A 69 17.984 31.162 16.728 1.00 5.25 C ATOM 1099 O VAL A 69 17.677 30.707 17.803 1.00 5.78 O ATOM 1100 CB VAL A 69 18.777 33.442 17.314 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.151 33.415 16.653 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.330 34.894 17.479 1.00 4.08 C ATOM 0 H VAL A 69 16.207 32.972 17.878 1.00 8.20 H new ATOM 0 HA VAL A 69 17.914 32.902 15.403 1.00 5.92 H new ATOM 0 HB VAL A 69 18.829 32.972 18.296 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.860 33.971 17.266 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.487 32.383 16.555 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.089 33.871 15.665 1.00 2.07 H new ATOM 0 HG21 VAL A 69 19.056 35.431 18.089 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.259 35.366 16.499 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.355 34.922 17.966 1.00 4.08 H new ATOM 1112 N PRO A 70 18.518 30.421 15.791 1.00 5.33 N ATOM 1113 CA PRO A 70 18.931 30.893 14.450 1.00 6.04 C ATOM 1114 C PRO A 70 17.758 30.920 13.459 1.00 7.79 C ATOM 1115 O PRO A 70 16.607 30.741 13.804 1.00 7.15 O ATOM 1116 CB PRO A 70 19.916 29.806 13.989 1.00 3.22 C ATOM 1117 CG PRO A 70 19.617 28.543 14.834 1.00 6.88 C ATOM 1118 CD PRO A 70 18.789 29.000 16.039 1.00 6.17 C ATOM 0 HA PRO A 70 19.335 31.905 14.489 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.792 29.598 12.926 1.00 3.22 H new ATOM 0 HB3 PRO A 70 20.946 30.132 14.132 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.070 27.806 14.246 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.543 28.068 15.159 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.864 28.430 16.122 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.336 28.858 16.971 1.00 6.17 H new ATOM 1126 N ARG A 71 18.097 31.095 12.210 1.00 6.15 N ATOM 1127 CA ARG A 71 17.101 31.091 11.102 1.00 7.10 C ATOM 1128 C ARG A 71 17.824 30.471 9.898 1.00 4.23 C ATOM 1129 O ARG A 71 18.501 31.146 9.151 1.00 6.47 O ATOM 1130 CB ARG A 71 16.648 32.525 10.780 1.00 10.23 C ATOM 1131 CG ARG A 71 15.270 32.501 10.090 1.00 15.67 C ATOM 1132 CD ARG A 71 14.154 32.633 11.134 1.00 20.29 C ATOM 1133 NE ARG A 71 14.005 31.353 11.878 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.411 31.341 13.039 1.00 19.78 C ATOM 1135 NH1 ARG A 71 12.967 32.452 13.554 1.00 22.60 N ATOM 1136 NH2 ARG A 71 13.264 30.217 13.688 1.00 23.53 N ATOM 0 H ARG A 71 19.058 31.246 11.903 1.00 6.15 H new ATOM 0 HA ARG A 71 16.206 30.528 11.367 1.00 7.10 H new ATOM 0 HB2 ARG A 71 16.595 33.113 11.697 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.379 33.009 10.133 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.202 33.315 9.369 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.150 31.572 9.534 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.386 33.442 11.827 1.00 20.29 H new ATOM 0 HD3 ARG A 71 13.215 32.891 10.645 1.00 20.29 H new ATOM 0 HE ARG A 71 14.367 30.486 11.481 1.00 26.05 H new ATOM 0 HH11 ARG A 71 13.084 33.331 13.049 1.00 22.60 H new ATOM 0 HH12 ARG A 71 12.502 32.443 14.462 1.00 22.60 H new ATOM 0 HH21 ARG A 71 13.614 29.347 13.287 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.799 30.209 14.596 1.00 23.53 H new ATOM 1150 N VAL A 72 17.739 29.175 9.752 1.00 4.55 N ATOM 1151 CA VAL A 72 18.479 28.481 8.651 1.00 6.53 C ATOM 1152 C VAL A 72 17.705 28.522 7.333 1.00 8.68 C ATOM 1153 O VAL A 72 16.498 28.662 7.308 1.00 6.48 O ATOM 1154 CB VAL A 72 18.703 27.027 9.068 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.410 26.266 7.943 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.568 26.998 10.333 1.00 3.35 C ATOM 0 H VAL A 72 17.186 28.562 10.351 1.00 4.55 H new ATOM 0 HA VAL A 72 19.428 28.993 8.489 1.00 6.53 H new ATOM 0 HB VAL A 72 17.742 26.552 9.267 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.567 25.231 8.246 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.794 26.291 7.044 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.373 26.733 7.737 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.733 25.964 10.638 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.527 27.473 10.129 1.00 3.35 H new ATOM 0 HG23 VAL A 72 19.060 27.536 11.134 1.00 3.35 H new ATOM 1166 N PHE A 73 18.409 28.414 6.229 1.00 5.39 N ATOM 1167 CA PHE A 73 17.736 28.462 4.900 1.00 6.90 C ATOM 1168 C PHE A 73 18.383 27.495 3.908 1.00 7.16 C ATOM 1169 O PHE A 73 19.283 27.863 3.178 1.00 14.07 O ATOM 1170 CB PHE A 73 17.854 29.871 4.325 1.00 6.44 C ATOM 1171 CG PHE A 73 16.974 30.813 5.101 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.460 31.429 6.257 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.672 31.070 4.661 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.642 32.305 6.977 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.853 31.945 5.381 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.337 32.563 6.539 1.00 7.54 C ATOM 0 H PHE A 73 19.421 28.295 6.196 1.00 5.39 H new ATOM 0 HA PHE A 73 16.694 28.179 5.047 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.890 30.206 4.370 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.564 29.870 3.274 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.466 31.229 6.594 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.299 30.593 3.766 1.00 12.42 H new ATOM 0 HE1 PHE A 73 17.016 32.782 7.870 1.00 6.98 H new ATOM 0 HE2 PHE A 73 13.847 32.144 5.043 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.704 33.239 7.095 1.00 7.54 H new ATOM 1186 N ILE A 74 17.902 26.288 3.816 1.00 5.91 N ATOM 1187 CA ILE A 74 18.475 25.367 2.799 1.00 7.08 C ATOM 1188 C ILE A 74 17.975 25.891 1.456 1.00 8.52 C ATOM 1189 O ILE A 74 16.786 25.926 1.211 1.00 6.64 O ATOM 1190 CB ILE A 74 17.967 23.937 3.025 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.795 23.679 4.526 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.966 22.933 2.438 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.109 23.953 5.262 1.00 9.34 C ATOM 0 H ILE A 74 17.151 25.905 4.390 1.00 5.91 H new ATOM 0 HA ILE A 74 19.563 25.335 2.850 1.00 7.08 H new ATOM 0 HB ILE A 74 17.004 23.817 2.528 1.00 6.37 H new ATOM 0 HG12 ILE A 74 17.006 24.317 4.924 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.485 22.647 4.692 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.601 21.919 2.601 1.00 4.80 H new ATOM 0 HG22 ILE A 74 19.076 23.112 1.368 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.933 23.054 2.927 1.00 4.80 H new ATOM 0 HD11 ILE A 74 18.975 23.766 6.328 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.887 23.296 4.874 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.402 24.992 5.110 1.00 9.34 H new ATOM 1205 N GLY A 75 18.840 26.368 0.608 1.00 9.27 N ATOM 1206 CA GLY A 75 18.332 26.950 -0.663 1.00 9.68 C ATOM 1207 C GLY A 75 17.362 28.064 -0.258 1.00 12.42 C ATOM 1208 O GLY A 75 17.413 28.541 0.857 1.00 11.15 O ATOM 0 H GLY A 75 19.852 26.381 0.734 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.150 27.345 -1.266 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.828 26.194 -1.265 1.00 9.68 H new ATOM 1212 N LYS A 76 16.467 28.477 -1.106 1.00 14.40 N ATOM 1213 CA LYS A 76 15.519 29.543 -0.673 1.00 16.68 C ATOM 1214 C LYS A 76 14.432 28.908 0.204 1.00 16.27 C ATOM 1215 O LYS A 76 13.519 29.569 0.656 1.00 14.00 O ATOM 1216 CB LYS A 76 14.870 30.195 -1.893 1.00 23.46 C ATOM 1217 CG LYS A 76 15.935 30.937 -2.708 1.00 30.10 C ATOM 1218 CD LYS A 76 15.257 31.790 -3.793 1.00 38.66 C ATOM 1219 CE LYS A 76 16.141 32.990 -4.154 1.00 42.17 C ATOM 1220 NZ LYS A 76 15.870 34.106 -3.205 1.00 44.86 N ATOM 0 H LYS A 76 16.349 28.134 -2.059 1.00 14.40 H new ATOM 0 HA LYS A 76 16.059 30.305 -0.111 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.389 29.436 -2.510 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.092 30.889 -1.576 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.531 31.572 -2.053 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.618 30.223 -3.168 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.074 31.184 -4.680 1.00 38.66 H new ATOM 0 HD3 LYS A 76 14.287 32.138 -3.439 1.00 38.66 H new ATOM 0 HE2 LYS A 76 17.193 32.707 -4.110 1.00 42.17 H new ATOM 0 HE3 LYS A 76 15.940 33.310 -5.176 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 16.468 34.921 -3.448 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 14.869 34.380 -3.269 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 16.083 33.797 -2.235 1.00 44.86 H new ATOM 1234 N ASP A 77 14.531 27.623 0.442 1.00 0.00 N ATOM 1235 CA ASP A 77 13.515 26.923 1.286 1.00 0.00 C ATOM 1236 C ASP A 77 13.923 26.989 2.764 1.00 0.00 C ATOM 1237 O ASP A 77 14.898 26.391 3.174 1.00 0.00 O ATOM 1238 CB ASP A 77 13.426 25.459 0.850 1.00 0.00 C ATOM 1239 CG ASP A 77 13.417 25.381 -0.677 1.00 0.00 C ATOM 1240 OD1 ASP A 77 14.449 25.649 -1.270 1.00 0.00 O ATOM 1241 OD2 ASP A 77 12.379 25.054 -1.229 1.00 0.00 O ATOM 0 H ASP A 77 15.277 27.026 0.085 1.00 0.00 H new ATOM 0 HA ASP A 77 12.547 27.409 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.271 24.898 1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.522 25.003 1.253 1.00 0.00 H new ATOM 1246 N SER A 78 13.184 27.710 3.564 1.00 0.00 N ATOM 1247 CA SER A 78 13.518 27.818 5.016 1.00 0.00 C ATOM 1248 C SER A 78 13.097 26.544 5.759 1.00 0.00 C ATOM 1249 O SER A 78 12.071 25.961 5.471 1.00 0.00 O ATOM 1250 CB SER A 78 12.777 29.016 5.610 1.00 0.00 C ATOM 1251 OG SER A 78 13.279 29.282 6.913 1.00 0.00 O ATOM 0 H SER A 78 12.358 28.233 3.273 1.00 0.00 H new ATOM 0 HA SER A 78 14.595 27.949 5.124 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.907 29.891 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.708 28.810 5.655 1.00 0.00 H new ATOM 0 HG SER A 78 13.853 30.076 6.887 1.00 0.00 H new ATOM 1257 N ILE A 79 13.866 26.120 6.736 1.00 14.84 N ATOM 1258 CA ILE A 79 13.487 24.899 7.513 1.00 16.24 C ATOM 1259 C ILE A 79 13.015 25.324 8.907 1.00 13.64 C ATOM 1260 O ILE A 79 12.303 24.602 9.578 1.00 15.36 O ATOM 1261 CB ILE A 79 14.690 23.963 7.668 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.942 24.772 8.048 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.936 23.211 6.358 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.813 23.953 9.008 1.00 20.45 C ATOM 0 H ILE A 79 14.736 26.566 7.027 1.00 14.84 H new ATOM 0 HA ILE A 79 12.694 24.375 6.979 1.00 16.24 H new ATOM 0 HB ILE A 79 14.479 23.244 8.459 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.509 25.025 7.152 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.651 25.712 8.517 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.793 22.547 6.475 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.054 22.623 6.105 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.137 23.926 5.560 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.699 24.528 9.276 1.00 20.45 H new ATOM 0 HD12 ILE A 79 16.244 23.723 9.909 1.00 20.45 H new ATOM 0 HD13 ILE A 79 17.116 23.025 8.523 1.00 20.45 H new ATOM 1276 N GLY A 80 13.401 26.497 9.347 1.00 12.42 N ATOM 1277 CA GLY A 80 12.968 26.973 10.696 1.00 13.73 C ATOM 1278 C GLY A 80 14.172 27.493 11.485 1.00 12.94 C ATOM 1279 O GLY A 80 15.100 28.054 10.934 1.00 13.82 O ATOM 0 H GLY A 80 13.997 27.144 8.830 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.225 27.763 10.589 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.491 26.159 11.241 1.00 13.73 H new ATOM 1283 N GLY A 81 14.154 27.316 12.782 1.00 12.24 N ATOM 1284 CA GLY A 81 15.283 27.801 13.630 1.00 10.24 C ATOM 1285 C GLY A 81 16.180 26.634 14.032 1.00 11.98 C ATOM 1286 O GLY A 81 16.411 25.717 13.269 1.00 12.42 O ATOM 0 H GLY A 81 13.401 26.854 13.292 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.864 28.544 13.084 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.893 28.293 14.521 1.00 10.24 H new ATOM 1290 N SER A 82 16.697 26.672 15.228 1.00 0.00 N ATOM 1291 CA SER A 82 17.594 25.581 15.696 1.00 0.00 C ATOM 1292 C SER A 82 16.781 24.321 15.972 1.00 0.00 C ATOM 1293 O SER A 82 16.978 23.292 15.357 1.00 0.00 O ATOM 1294 CB SER A 82 18.301 26.024 16.979 1.00 0.00 C ATOM 1295 OG SER A 82 18.612 24.882 17.767 1.00 0.00 O ATOM 0 H SER A 82 16.535 27.417 15.905 1.00 0.00 H new ATOM 0 HA SER A 82 18.333 25.366 14.924 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.212 26.570 16.735 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.663 26.705 17.542 1.00 0.00 H new ATOM 0 HG SER A 82 19.066 25.165 18.588 1.00 0.00 H new ATOM 1301 N SER A 83 15.871 24.398 16.896 1.00 0.00 N ATOM 1302 CA SER A 83 15.041 23.210 17.233 1.00 0.00 C ATOM 1303 C SER A 83 14.408 22.652 15.959 1.00 0.00 C ATOM 1304 O SER A 83 14.062 21.490 15.882 1.00 0.00 O ATOM 1305 CB SER A 83 13.950 23.623 18.222 1.00 0.00 C ATOM 1306 OG SER A 83 13.126 22.500 18.508 1.00 0.00 O ATOM 0 H SER A 83 15.664 25.237 17.437 1.00 0.00 H new ATOM 0 HA SER A 83 15.665 22.440 17.686 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.400 24.002 19.140 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.351 24.431 17.803 1.00 0.00 H new ATOM 0 HG SER A 83 12.426 22.761 19.143 1.00 0.00 H new ATOM 1312 N ASP A 84 14.264 23.470 14.958 1.00 12.98 N ATOM 1313 CA ASP A 84 13.667 22.992 13.680 1.00 14.53 C ATOM 1314 C ASP A 84 14.700 22.154 12.922 1.00 11.28 C ATOM 1315 O ASP A 84 14.435 21.044 12.508 1.00 12.09 O ATOM 1316 CB ASP A 84 13.257 24.193 12.825 1.00 17.72 C ATOM 1317 CG ASP A 84 11.997 24.833 13.410 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.078 25.360 14.507 1.00 21.94 O ATOM 1319 OD2 ASP A 84 10.972 24.787 12.749 1.00 27.06 O ATOM 0 H ASP A 84 14.535 24.453 14.968 1.00 12.98 H new ATOM 0 HA ASP A 84 12.788 22.384 13.893 1.00 14.53 H new ATOM 0 HB2 ASP A 84 14.066 24.923 12.793 1.00 17.72 H new ATOM 0 HB3 ASP A 84 13.073 23.876 11.799 1.00 17.72 H new ATOM 1324 N LEU A 85 15.876 22.686 12.740 1.00 11.34 N ATOM 1325 CA LEU A 85 16.942 21.942 12.009 1.00 11.04 C ATOM 1326 C LEU A 85 17.100 20.539 12.598 1.00 12.09 C ATOM 1327 O LEU A 85 16.936 19.544 11.919 1.00 11.43 O ATOM 1328 CB LEU A 85 18.266 22.698 12.160 1.00 9.45 C ATOM 1329 CG LEU A 85 19.295 22.175 11.147 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.535 23.075 11.166 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.707 20.738 11.504 1.00 15.31 C ATOM 0 H LEU A 85 16.148 23.613 13.069 1.00 11.34 H new ATOM 0 HA LEU A 85 16.669 21.861 10.957 1.00 11.04 H new ATOM 0 HB2 LEU A 85 18.103 23.765 12.006 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.649 22.577 13.173 1.00 9.45 H new ATOM 0 HG LEU A 85 18.847 22.183 10.153 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.265 22.704 10.447 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.250 24.093 10.901 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.973 23.069 12.164 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.437 20.378 10.779 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.148 20.723 12.501 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.829 20.093 11.486 1.00 15.31 H new ATOM 1343 N VAL A 86 17.434 20.457 13.856 1.00 0.00 N ATOM 1344 CA VAL A 86 17.631 19.122 14.495 1.00 0.00 C ATOM 1345 C VAL A 86 16.441 18.215 14.191 1.00 0.00 C ATOM 1346 O VAL A 86 16.605 17.104 13.733 1.00 0.00 O ATOM 1347 CB VAL A 86 17.765 19.279 16.020 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.236 19.165 16.429 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.232 20.647 16.442 1.00 0.00 C ATOM 0 H VAL A 86 17.580 21.257 14.472 1.00 0.00 H new ATOM 0 HA VAL A 86 18.542 18.678 14.093 1.00 0.00 H new ATOM 0 HB VAL A 86 17.191 18.492 16.510 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.323 19.277 17.510 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.621 18.189 16.133 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.813 19.947 15.936 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.327 20.757 17.522 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.805 21.430 15.945 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.183 20.731 16.160 1.00 0.00 H new ATOM 1359 N SER A 87 15.248 18.672 14.443 1.00 14.12 N ATOM 1360 CA SER A 87 14.060 17.818 14.170 1.00 14.37 C ATOM 1361 C SER A 87 14.229 17.154 12.801 1.00 13.29 C ATOM 1362 O SER A 87 13.864 16.013 12.599 1.00 11.18 O ATOM 1363 CB SER A 87 12.799 18.692 14.176 1.00 13.30 C ATOM 1364 OG SER A 87 11.663 17.883 14.453 1.00 21.79 O ATOM 0 H SER A 87 15.044 19.596 14.825 1.00 14.12 H new ATOM 0 HA SER A 87 13.966 17.049 14.936 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.891 19.477 14.926 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.681 19.185 13.211 1.00 13.30 H new ATOM 0 HG SER A 87 10.857 18.441 14.459 1.00 21.79 H new ATOM 1370 N LEU A 88 14.779 17.871 11.863 1.00 0.00 N ATOM 1371 CA LEU A 88 14.986 17.313 10.497 1.00 0.00 C ATOM 1372 C LEU A 88 16.259 16.454 10.426 1.00 0.00 C ATOM 1373 O LEU A 88 16.283 15.426 9.781 1.00 0.00 O ATOM 1374 CB LEU A 88 15.084 18.473 9.507 1.00 0.00 C ATOM 1375 CG LEU A 88 13.877 19.395 9.698 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.042 20.645 8.834 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.595 18.656 9.295 1.00 0.00 C ATOM 0 H LEU A 88 15.098 18.832 11.985 1.00 0.00 H new ATOM 0 HA LEU A 88 14.142 16.669 10.248 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.009 19.027 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.111 18.095 8.485 1.00 0.00 H new ATOM 0 HG LEU A 88 13.810 19.688 10.746 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.181 21.299 8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.950 21.173 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.113 20.356 7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.737 19.314 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.660 18.358 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.475 17.770 9.918 1.00 0.00 H new ATOM 1389 N GLN A 89 17.325 16.879 11.050 1.00 0.00 N ATOM 1390 CA GLN A 89 18.597 16.099 10.977 1.00 0.00 C ATOM 1391 C GLN A 89 18.396 14.679 11.508 1.00 0.00 C ATOM 1392 O GLN A 89 18.631 13.710 10.813 1.00 0.00 O ATOM 1393 CB GLN A 89 19.667 16.799 11.815 1.00 0.00 C ATOM 1394 CG GLN A 89 21.040 16.195 11.510 1.00 0.00 C ATOM 1395 CD GLN A 89 21.442 16.530 10.072 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.942 17.603 9.804 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.244 15.648 9.131 1.00 0.00 N ATOM 0 H GLN A 89 17.371 17.732 11.607 1.00 0.00 H new ATOM 0 HA GLN A 89 18.910 16.042 9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.672 17.867 11.597 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.440 16.692 12.876 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.783 16.585 12.206 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.011 15.114 11.648 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.824 14.747 9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.509 15.860 8.169 1.00 0.00 H new ATOM 1406 N GLN A 90 17.979 14.540 12.734 1.00 0.00 N ATOM 1407 CA GLN A 90 17.788 13.173 13.294 1.00 0.00 C ATOM 1408 C GLN A 90 16.735 12.432 12.475 1.00 0.00 C ATOM 1409 O GLN A 90 16.716 11.219 12.417 1.00 0.00 O ATOM 1410 CB GLN A 90 17.366 13.244 14.773 1.00 0.00 C ATOM 1411 CG GLN A 90 17.103 14.693 15.189 1.00 0.00 C ATOM 1412 CD GLN A 90 16.792 14.741 16.685 1.00 0.00 C ATOM 1413 OE1 GLN A 90 15.763 15.246 17.090 1.00 0.00 O ATOM 1414 NE2 GLN A 90 17.646 14.231 17.529 1.00 0.00 N ATOM 0 H GLN A 90 17.763 15.308 13.370 1.00 0.00 H new ATOM 0 HA GLN A 90 18.733 12.632 13.240 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.468 12.646 14.930 1.00 0.00 H new ATOM 0 HB3 GLN A 90 18.147 12.816 15.401 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.973 15.311 14.967 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.268 15.101 14.619 1.00 0.00 H new ATOM 0 HE21 GLN A 90 18.509 13.808 17.188 1.00 0.00 H new ATOM 0 HE22 GLN A 90 17.451 14.256 18.530 1.00 0.00 H new ATOM 1423 N SER A 91 15.866 13.154 11.834 1.00 0.00 N ATOM 1424 CA SER A 91 14.818 12.493 11.007 1.00 0.00 C ATOM 1425 C SER A 91 15.420 12.081 9.663 1.00 0.00 C ATOM 1426 O SER A 91 15.226 10.975 9.196 1.00 0.00 O ATOM 1427 CB SER A 91 13.653 13.456 10.780 1.00 0.00 C ATOM 1428 OG SER A 91 13.117 13.846 12.037 1.00 0.00 O ATOM 0 H SER A 91 15.833 14.173 11.845 1.00 0.00 H new ATOM 0 HA SER A 91 14.450 11.608 11.526 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.992 14.333 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.883 12.977 10.175 1.00 0.00 H new ATOM 0 HG SER A 91 13.587 14.643 12.360 1.00 0.00 H new ATOM 1434 N GLY A 92 16.162 12.960 9.048 1.00 19.34 N ATOM 1435 CA GLY A 92 16.801 12.631 7.737 1.00 19.37 C ATOM 1436 C GLY A 92 16.180 13.469 6.616 1.00 22.29 C ATOM 1437 O GLY A 92 16.668 13.488 5.503 1.00 25.64 O ATOM 0 H GLY A 92 16.356 13.898 9.397 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.873 12.820 7.790 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.675 11.570 7.520 1.00 19.37 H new ATOM 1441 N GLU A 93 15.119 14.168 6.894 1.00 22.54 N ATOM 1442 CA GLU A 93 14.486 15.005 5.839 1.00 24.53 C ATOM 1443 C GLU A 93 15.417 16.180 5.526 1.00 23.48 C ATOM 1444 O GLU A 93 15.396 16.747 4.451 1.00 22.85 O ATOM 1445 CB GLU A 93 13.142 15.523 6.355 1.00 27.50 C ATOM 1446 CG GLU A 93 12.405 16.251 5.234 1.00 36.43 C ATOM 1447 CD GLU A 93 11.962 15.243 4.173 1.00 44.30 C ATOM 1448 OE1 GLU A 93 12.733 14.996 3.260 1.00 50.26 O ATOM 1449 OE2 GLU A 93 10.860 14.734 4.291 1.00 42.86 O ATOM 0 H GLU A 93 14.662 14.197 7.805 1.00 22.54 H new ATOM 0 HA GLU A 93 14.319 14.421 4.934 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.538 14.693 6.721 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.300 16.197 7.197 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.538 16.776 5.636 1.00 36.43 H new ATOM 0 HG3 GLU A 93 13.054 17.003 4.787 1.00 36.43 H new ATOM 1456 N LEU A 94 16.234 16.540 6.473 1.00 24.17 N ATOM 1457 CA LEU A 94 17.188 17.669 6.282 1.00 22.19 C ATOM 1458 C LEU A 94 18.135 17.385 5.121 1.00 22.62 C ATOM 1459 O LEU A 94 18.154 18.089 4.131 1.00 21.76 O ATOM 1460 CB LEU A 94 18.009 17.824 7.560 1.00 23.15 C ATOM 1461 CG LEU A 94 18.715 19.187 7.576 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.743 20.281 8.042 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.913 19.124 8.532 1.00 21.18 C ATOM 0 H LEU A 94 16.283 16.092 7.388 1.00 24.17 H new ATOM 0 HA LEU A 94 16.628 18.578 6.062 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.360 17.732 8.431 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.746 17.024 7.626 1.00 23.15 H new ATOM 0 HG LEU A 94 19.058 19.425 6.569 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.255 21.243 8.049 1.00 18.74 H new ATOM 0 HD12 LEU A 94 16.893 20.327 7.361 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.390 20.050 9.047 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.418 20.090 8.547 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.565 18.881 9.536 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.609 18.356 8.193 1.00 21.18 H new ATOM 1475 N LEU A 95 18.938 16.369 5.247 1.00 0.00 N ATOM 1476 CA LEU A 95 19.905 16.056 4.166 1.00 0.00 C ATOM 1477 C LEU A 95 19.150 15.919 2.854 1.00 0.00 C ATOM 1478 O LEU A 95 19.668 16.188 1.790 1.00 0.00 O ATOM 1479 CB LEU A 95 20.647 14.756 4.516 1.00 0.00 C ATOM 1480 CG LEU A 95 19.916 13.515 3.967 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.429 13.186 2.560 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.182 12.316 4.892 1.00 0.00 C ATOM 0 H LEU A 95 18.966 15.743 6.052 1.00 0.00 H new ATOM 0 HA LEU A 95 20.639 16.855 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.657 14.793 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.743 14.672 5.599 1.00 0.00 H new ATOM 0 HG LEU A 95 18.847 13.721 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.908 12.308 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.245 14.033 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.499 12.983 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.666 11.437 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.253 12.119 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.816 12.541 5.894 1.00 0.00 H new ATOM 1494 N THR A 96 17.919 15.527 2.933 1.00 15.75 N ATOM 1495 CA THR A 96 17.109 15.395 1.695 1.00 17.89 C ATOM 1496 C THR A 96 16.922 16.782 1.078 1.00 14.96 C ATOM 1497 O THR A 96 17.167 16.983 -0.094 1.00 17.84 O ATOM 1498 CB THR A 96 15.745 14.767 2.018 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.814 13.363 1.809 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.656 15.360 1.112 1.00 28.03 C ATOM 0 H THR A 96 17.435 15.291 3.799 1.00 15.75 H new ATOM 0 HA THR A 96 17.623 14.746 0.987 1.00 17.89 H new ATOM 0 HB THR A 96 15.495 14.979 3.058 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.946 12.958 2.016 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.695 14.905 1.353 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.598 16.437 1.270 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.901 15.159 0.069 1.00 28.03 H new ATOM 1508 N ARG A 97 16.502 17.747 1.858 1.00 12.39 N ATOM 1509 CA ARG A 97 16.312 19.109 1.292 1.00 13.82 C ATOM 1510 C ARG A 97 17.651 19.573 0.726 1.00 14.98 C ATOM 1511 O ARG A 97 17.713 20.283 -0.259 1.00 16.48 O ATOM 1512 CB ARG A 97 15.821 20.068 2.387 1.00 18.70 C ATOM 1513 CG ARG A 97 14.293 19.967 2.496 1.00 27.27 C ATOM 1514 CD ARG A 97 13.785 20.822 3.661 1.00 36.05 C ATOM 1515 NE ARG A 97 13.681 22.246 3.236 1.00 38.76 N ATOM 1516 CZ ARG A 97 12.940 23.077 3.918 1.00 40.02 C ATOM 1517 NH1 ARG A 97 12.256 22.648 4.945 1.00 39.86 N ATOM 1518 NH2 ARG A 97 12.873 24.331 3.568 1.00 40.96 N ATOM 0 H ARG A 97 16.286 17.649 2.850 1.00 12.39 H new ATOM 0 HA ARG A 97 15.562 19.095 0.501 1.00 13.82 H new ATOM 0 HB2 ARG A 97 16.283 19.817 3.342 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.114 21.091 2.150 1.00 18.70 H new ATOM 0 HG2 ARG A 97 13.833 20.298 1.565 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.000 18.928 2.644 1.00 27.27 H new ATOM 0 HD2 ARG A 97 12.812 20.460 3.992 1.00 36.05 H new ATOM 0 HD3 ARG A 97 14.463 20.735 4.510 1.00 36.05 H new ATOM 0 HE ARG A 97 14.188 22.571 2.413 1.00 38.76 H new ATOM 0 HH11 ARG A 97 12.301 21.665 5.213 1.00 39.86 H new ATOM 0 HH12 ARG A 97 11.677 23.296 5.479 1.00 39.86 H new ATOM 0 HH21 ARG A 97 13.400 24.664 2.761 1.00 40.96 H new ATOM 0 HH22 ARG A 97 12.294 24.979 4.102 1.00 40.96 H new ATOM 1532 N LEU A 98 18.726 19.135 1.313 1.00 12.44 N ATOM 1533 CA LEU A 98 20.062 19.495 0.786 1.00 12.45 C ATOM 1534 C LEU A 98 20.284 18.718 -0.516 1.00 14.25 C ATOM 1535 O LEU A 98 20.832 19.220 -1.478 1.00 12.19 O ATOM 1536 CB LEU A 98 21.133 19.083 1.803 1.00 13.23 C ATOM 1537 CG LEU A 98 21.287 20.152 2.890 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.131 20.052 3.886 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.608 19.928 3.631 1.00 15.05 C ATOM 0 H LEU A 98 18.734 18.539 2.141 1.00 12.44 H new ATOM 0 HA LEU A 98 20.124 20.568 0.607 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.862 18.131 2.258 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.086 18.934 1.295 1.00 13.23 H new ATOM 0 HG LEU A 98 21.280 21.139 2.428 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.247 20.815 4.656 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.186 20.204 3.364 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.134 19.065 4.349 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.723 20.686 4.406 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.605 18.939 4.088 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.437 20.000 2.927 1.00 15.05 H new ATOM 1551 N LYS A 99 19.873 17.477 -0.524 1.00 0.00 N ATOM 1552 CA LYS A 99 20.057 16.606 -1.722 1.00 0.00 C ATOM 1553 C LYS A 99 19.250 17.111 -2.926 1.00 0.00 C ATOM 1554 O LYS A 99 19.781 17.262 -4.009 1.00 0.00 O ATOM 1555 CB LYS A 99 19.600 15.188 -1.371 1.00 0.00 C ATOM 1556 CG LYS A 99 19.954 14.231 -2.513 1.00 0.00 C ATOM 1557 CD LYS A 99 19.608 12.796 -2.103 1.00 0.00 C ATOM 1558 CE LYS A 99 19.817 11.857 -3.294 1.00 0.00 C ATOM 1559 NZ LYS A 99 21.213 11.994 -3.798 1.00 0.00 N ATOM 0 H LYS A 99 19.410 17.023 0.263 1.00 0.00 H new ATOM 0 HA LYS A 99 21.112 16.621 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 99 20.078 14.860 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.524 15.176 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.406 14.505 -3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.015 14.307 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.235 12.485 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.574 12.744 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.627 10.826 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.108 12.095 -4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.560 11.067 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.230 12.662 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.824 12.349 -3.035 1.00 0.00 H new ATOM 1573 N GLN A 100 17.970 17.344 -2.770 1.00 18.17 N ATOM 1574 CA GLN A 100 17.161 17.797 -3.941 1.00 18.02 C ATOM 1575 C GLN A 100 17.828 18.993 -4.630 1.00 18.05 C ATOM 1576 O GLN A 100 17.751 19.133 -5.835 1.00 19.19 O ATOM 1577 CB GLN A 100 15.730 18.164 -3.512 1.00 20.45 C ATOM 1578 CG GLN A 100 15.698 18.596 -2.046 1.00 29.25 C ATOM 1579 CD GLN A 100 14.539 19.570 -1.826 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.672 20.756 -2.062 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.400 19.117 -1.379 1.00 38.64 N ATOM 0 H GLN A 100 17.457 17.242 -1.894 1.00 18.17 H new ATOM 0 HA GLN A 100 17.107 16.971 -4.650 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.352 18.969 -4.142 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.071 17.308 -3.658 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.582 17.725 -1.402 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.641 19.070 -1.775 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.289 18.123 -1.181 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.621 19.757 -1.227 1.00 38.64 H new ATOM 1590 N ILE A 101 18.496 19.848 -3.900 1.00 0.00 N ATOM 1591 CA ILE A 101 19.167 21.006 -4.560 1.00 0.00 C ATOM 1592 C ILE A 101 20.652 20.684 -4.727 1.00 0.00 C ATOM 1593 O ILE A 101 21.353 21.308 -5.500 1.00 0.00 O ATOM 1594 CB ILE A 101 19.008 22.269 -3.709 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.613 22.035 -2.323 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.526 22.619 -3.565 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.366 23.265 -1.444 1.00 0.00 C ATOM 0 H ILE A 101 18.605 19.796 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 101 18.709 21.183 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 101 19.526 23.094 -4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.168 21.152 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.683 21.845 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.422 23.519 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.096 22.795 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.002 21.794 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.797 23.099 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.832 24.138 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.293 23.434 -1.348 1.00 0.00 H new ATOM 1609 N GLY A 102 21.130 19.697 -4.020 1.00 11.15 N ATOM 1610 CA GLY A 102 22.565 19.308 -4.142 1.00 12.21 C ATOM 1611 C GLY A 102 23.441 20.231 -3.298 1.00 14.73 C ATOM 1612 O GLY A 102 24.482 20.682 -3.732 1.00 18.54 O ATOM 0 H GLY A 102 20.587 19.140 -3.360 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.697 18.275 -3.819 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.874 19.357 -5.186 1.00 12.21 H new ATOM 1616 N ALA A 103 23.033 20.513 -2.095 1.00 10.84 N ATOM 1617 CA ALA A 103 23.851 21.406 -1.224 1.00 9.88 C ATOM 1618 C ALA A 103 24.909 20.581 -0.491 1.00 9.21 C ATOM 1619 O ALA A 103 25.841 21.113 0.080 1.00 7.47 O ATOM 1620 CB ALA A 103 22.949 22.095 -0.200 1.00 4.30 C ATOM 0 H ALA A 103 22.171 20.166 -1.675 1.00 10.84 H new ATOM 0 HA ALA A 103 24.340 22.159 -1.843 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.550 22.746 0.434 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.196 22.688 -0.719 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.457 21.342 0.416 1.00 4.30 H new ATOM 1626 N LEU A 104 24.770 19.286 -0.499 1.00 0.00 N ATOM 1627 CA LEU A 104 25.762 18.418 0.200 1.00 0.00 C ATOM 1628 C LEU A 104 26.823 17.937 -0.792 1.00 0.00 C ATOM 1629 O LEU A 104 26.836 18.325 -1.943 1.00 0.00 O ATOM 1630 CB LEU A 104 25.043 17.211 0.823 1.00 0.00 C ATOM 1631 CG LEU A 104 24.689 16.170 -0.249 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.879 15.042 0.394 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.851 16.818 -1.355 1.00 0.00 C ATOM 0 H LEU A 104 24.010 18.787 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 104 26.249 18.992 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.679 16.755 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.135 17.544 1.326 1.00 0.00 H new ATOM 0 HG LEU A 104 25.609 15.774 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.625 14.300 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.470 14.572 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.964 15.450 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.605 16.071 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.932 17.218 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.419 17.626 -1.815 1.00 0.00 H new ATOM 1645 N GLN A 105 27.716 17.093 -0.349 1.00 0.00 N ATOM 1646 CA GLN A 105 28.780 16.581 -1.258 1.00 0.00 C ATOM 1647 C GLN A 105 28.196 15.499 -2.170 1.00 0.00 C ATOM 1648 O GLN A 105 27.864 15.820 -3.299 1.00 0.00 O ATOM 1649 CB GLN A 105 29.919 15.983 -0.424 1.00 0.00 C ATOM 1650 CG GLN A 105 30.831 17.102 0.086 1.00 0.00 C ATOM 1651 CD GLN A 105 31.738 17.577 -1.049 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.447 18.554 -1.709 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.835 16.919 -1.306 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.093 14.368 -1.725 1.00 0.00 O ATOM 0 H GLN A 105 27.754 16.736 0.606 1.00 0.00 H new ATOM 0 HA GLN A 105 29.164 17.401 -1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.511 15.422 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.493 15.280 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.232 17.933 0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.433 16.743 0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 105 33.079 16.098 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.448 17.225 -2.061 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.630 27.619 19.861 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.398 28.654 18.814 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.054 27.977 17.485 1.00 0.00 C HETATM 1667 O11 GSH A 106 14.720 27.014 17.142 1.00 0.00 O HETATM 1668 O12 GSH A 106 13.132 28.437 16.831 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.666 29.492 18.643 1.00 0.00 C HETATM 1670 CG1 GSH A 106 16.164 29.973 20.016 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.292 31.501 20.044 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.825 32.113 19.142 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.876 32.113 21.117 1.00 0.00 N HETATM 1674 CA2 GSH A 106 16.151 33.567 21.301 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.455 34.395 20.214 1.00 0.00 C HETATM 1676 O2 GSH A 106 15.565 34.100 19.042 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.665 33.788 21.232 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.505 32.282 21.788 1.00 0.00 S HETATM 1679 N3 GSH A 106 15.019 35.577 20.570 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.564 36.559 19.539 1.00 0.00 C HETATM 1681 C3 GSH A 106 14.156 37.867 20.222 1.00 0.00 C HETATM 1682 O31 GSH A 106 13.932 38.836 19.516 1.00 0.00 O HETATM 1683 O32 GSH A 106 14.178 37.906 21.443 1.00 0.00 O HETATM 0 HN12 GSH A 106 14.871 27.900 20.811 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.548 26.630 19.627 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.473 29.647 20.793 1.00 0.00 H new HETATM 0 HG12 GSH A 106 17.130 29.519 20.237 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.964 34.032 20.213 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.951 34.632 21.859 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.439 28.901 18.152 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.463 30.348 18.000 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.363 36.745 18.822 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.722 36.151 18.980 1.00 0.00 H new HETATM 0 HN3 GSH A 106 14.990 35.830 21.558 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.362 31.597 21.831 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.765 33.888 22.268 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.570 29.295 19.116 1.00 0.00 H new