USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 SER OG : rot 43:sc= -0.623! USER MOD Set 1.2: A 62 MET CE :methyl 164:sc= -0.59 (180deg=-0.825) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -100:sc= 0.0483 (180deg=0) USER MOD Set 2.2: A 71 TYR OH : rot 60:sc= -0.963 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= -1.3! (180deg=-2.74!) USER MOD Single : A 42 HIS :FLIP no HE2:sc= -7.71! C(o=-10!,f=-7.7!) USER MOD Single : A 45 CYS SG : rot -49:sc= -6.44! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -11.4! C(o=-11!,f=-14!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 150:sc= -12.4! (180deg=-16.2!) USER MOD Single : A 55 MET CE :methyl -158:sc= -9.29! (180deg=-12.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.19! C(o=-1.2!,f=-3.2!) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.18! C(o=-4.9!,f=-2.2!) USER MOD Single : A 72 SER OG : rot 119:sc= -0.735! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -119:sc=-0.00744 (180deg=-0.543) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -156:sc= -0.0199 (180deg=-0.681) USER MOD Single : A 95 GLN : amide:sc= -5.74! C(o=-5.7!,f=-11!) USER MOD Single : A 104 SER OG : rot 180:sc= -1.54 USER MOD Single : A 106 MET CE :methyl 145:sc= -0.0726 (180deg=-0.751) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -17.5! C(o=-18!,f=-23!) USER MOD Single : A 126 MET CE :methyl 162:sc= -1.97 (180deg=-3.09!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 36 83.054 -15.142 0.914 1.00 1.37 N ATOM 86 CA ASN A 36 83.664 -14.446 2.083 1.00 0.81 C ATOM 87 C ASN A 36 84.474 -13.231 1.624 1.00 0.66 C ATOM 88 O ASN A 36 84.432 -12.180 2.230 1.00 0.84 O ATOM 89 CB ASN A 36 84.582 -15.485 2.728 1.00 1.36 C ATOM 90 CG ASN A 36 83.752 -16.689 3.181 1.00 1.80 C ATOM 91 OD1 ASN A 36 82.655 -16.533 3.679 1.00 2.49 O ATOM 92 ND2 ASN A 36 84.234 -17.892 3.031 1.00 2.33 N ATOM 0 HA ASN A 36 82.909 -14.077 2.777 1.00 0.81 H new ATOM 0 HB2 ASN A 36 85.345 -15.803 2.017 1.00 1.36 H new ATOM 0 HB3 ASN A 36 85.102 -15.047 3.580 1.00 1.36 H new ATOM 0 HD21 ASN A 36 83.690 -18.701 3.332 1.00 2.33 H new ATOM 0 HD22 ASN A 36 85.155 -18.024 2.613 1.00 2.33 H new ATOM 99 N ALA A 37 85.209 -13.366 0.558 1.00 0.53 N ATOM 100 CA ALA A 37 86.022 -12.224 0.064 1.00 0.48 C ATOM 101 C ALA A 37 85.204 -11.392 -0.919 1.00 0.45 C ATOM 102 O ALA A 37 84.600 -11.916 -1.826 1.00 0.73 O ATOM 103 CB ALA A 37 87.219 -12.865 -0.640 1.00 0.65 C ATOM 0 H ALA A 37 85.282 -14.221 0.006 1.00 0.53 H new ATOM 0 HA ALA A 37 86.334 -11.556 0.867 1.00 0.48 H new ATOM 0 HB1 ALA A 37 87.870 -12.085 -1.034 1.00 0.65 H new ATOM 0 HB2 ALA A 37 87.775 -13.476 0.071 1.00 0.65 H new ATOM 0 HB3 ALA A 37 86.867 -13.492 -1.459 1.00 0.65 H new ATOM 109 N VAL A 38 85.174 -10.104 -0.729 1.00 0.46 N ATOM 110 CA VAL A 38 84.392 -9.215 -1.646 1.00 0.40 C ATOM 111 C VAL A 38 85.065 -7.837 -1.694 1.00 0.40 C ATOM 112 O VAL A 38 85.677 -7.431 -0.724 1.00 0.42 O ATOM 113 CB VAL A 38 82.985 -9.118 -1.023 1.00 0.40 C ATOM 114 CG1 VAL A 38 82.583 -10.468 -0.418 1.00 0.59 C ATOM 115 CG2 VAL A 38 82.968 -8.053 0.080 1.00 0.88 C ATOM 0 H VAL A 38 85.660 -9.621 0.026 1.00 0.46 H new ATOM 0 HA VAL A 38 84.342 -9.595 -2.666 1.00 0.40 H new ATOM 0 HB VAL A 38 82.279 -8.843 -1.807 1.00 0.40 H new ATOM 0 HG11 VAL A 38 81.588 -10.389 0.019 1.00 0.59 H new ATOM 0 HG12 VAL A 38 82.577 -11.229 -1.198 1.00 0.59 H new ATOM 0 HG13 VAL A 38 83.298 -10.747 0.356 1.00 0.59 H new ATOM 0 HG21 VAL A 38 81.969 -7.993 0.513 1.00 0.88 H new ATOM 0 HG22 VAL A 38 83.684 -8.322 0.856 1.00 0.88 H new ATOM 0 HG23 VAL A 38 83.238 -7.086 -0.344 1.00 0.88 H new ATOM 125 N LYS A 39 84.977 -7.089 -2.775 1.00 0.40 N ATOM 126 CA LYS A 39 85.646 -5.760 -2.738 1.00 0.43 C ATOM 127 C LYS A 39 84.661 -4.728 -2.185 1.00 0.41 C ATOM 128 O LYS A 39 83.834 -4.194 -2.893 1.00 0.46 O ATOM 129 CB LYS A 39 85.985 -5.454 -4.183 1.00 0.51 C ATOM 130 CG LYS A 39 86.911 -4.239 -4.248 1.00 0.88 C ATOM 131 CD LYS A 39 88.103 -4.467 -3.314 1.00 0.75 C ATOM 132 CE LYS A 39 89.401 -4.096 -4.036 1.00 0.97 C ATOM 133 NZ LYS A 39 89.280 -2.638 -4.326 1.00 1.71 N ATOM 0 H LYS A 39 84.493 -7.332 -3.639 1.00 0.40 H new ATOM 0 HA LYS A 39 86.535 -5.743 -2.107 1.00 0.43 H new ATOM 0 HB2 LYS A 39 86.467 -6.316 -4.644 1.00 0.51 H new ATOM 0 HB3 LYS A 39 85.073 -5.259 -4.747 1.00 0.51 H new ATOM 0 HG2 LYS A 39 87.258 -4.085 -5.270 1.00 0.88 H new ATOM 0 HG3 LYS A 39 86.371 -3.339 -3.956 1.00 0.88 H new ATOM 0 HD2 LYS A 39 87.992 -3.864 -2.413 1.00 0.75 H new ATOM 0 HD3 LYS A 39 88.136 -5.510 -2.998 1.00 0.75 H new ATOM 0 HE2 LYS A 39 90.272 -4.303 -3.414 1.00 0.97 H new ATOM 0 HE3 LYS A 39 89.520 -4.672 -4.954 1.00 0.97 H new ATOM 0 HZ1 LYS A 39 90.209 -2.184 -4.217 1.00 1.71 H new ATOM 0 HZ2 LYS A 39 88.942 -2.505 -5.301 1.00 1.71 H new ATOM 0 HZ3 LYS A 39 88.604 -2.207 -3.663 1.00 1.71 H new ATOM 147 N VAL A 40 84.723 -4.483 -0.904 1.00 0.39 N ATOM 148 CA VAL A 40 83.763 -3.533 -0.273 1.00 0.40 C ATOM 149 C VAL A 40 84.285 -2.093 -0.228 1.00 0.42 C ATOM 150 O VAL A 40 85.468 -1.833 -0.126 1.00 0.52 O ATOM 151 CB VAL A 40 83.572 -4.065 1.147 1.00 0.46 C ATOM 152 CG1 VAL A 40 84.873 -3.900 1.934 1.00 1.35 C ATOM 153 CG2 VAL A 40 82.455 -3.281 1.838 1.00 1.44 C ATOM 0 H VAL A 40 85.400 -4.901 -0.266 1.00 0.39 H new ATOM 0 HA VAL A 40 82.839 -3.484 -0.848 1.00 0.40 H new ATOM 0 HB VAL A 40 83.304 -5.121 1.106 1.00 0.46 H new ATOM 0 HG11 VAL A 40 84.736 -4.280 2.947 1.00 1.35 H new ATOM 0 HG12 VAL A 40 85.669 -4.458 1.442 1.00 1.35 H new ATOM 0 HG13 VAL A 40 85.142 -2.844 1.975 1.00 1.35 H new ATOM 0 HG21 VAL A 40 82.318 -3.659 2.851 1.00 1.44 H new ATOM 0 HG22 VAL A 40 82.723 -2.225 1.878 1.00 1.44 H new ATOM 0 HG23 VAL A 40 81.527 -3.399 1.278 1.00 1.44 H new ATOM 163 N ARG A 41 83.369 -1.167 -0.279 1.00 0.40 N ATOM 164 CA ARG A 41 83.694 0.287 -0.216 1.00 0.42 C ATOM 165 C ARG A 41 82.741 0.901 0.815 1.00 0.44 C ATOM 166 O ARG A 41 81.666 0.373 1.020 1.00 0.51 O ATOM 167 CB ARG A 41 83.410 0.788 -1.630 1.00 0.51 C ATOM 168 CG ARG A 41 84.688 0.673 -2.468 1.00 0.62 C ATOM 169 CD ARG A 41 84.383 -0.076 -3.767 1.00 1.10 C ATOM 170 NE ARG A 41 85.719 -0.367 -4.360 1.00 1.15 N ATOM 171 CZ ARG A 41 85.844 -0.500 -5.652 1.00 1.31 C ATOM 172 NH1 ARG A 41 84.804 -0.803 -6.380 1.00 1.86 N ATOM 173 NH2 ARG A 41 87.009 -0.331 -6.216 1.00 1.89 N ATOM 0 H ARG A 41 82.372 -1.366 -0.365 1.00 0.40 H new ATOM 0 HA ARG A 41 84.715 0.532 0.078 1.00 0.42 H new ATOM 0 HB2 ARG A 41 82.609 0.203 -2.083 1.00 0.51 H new ATOM 0 HB3 ARG A 41 83.071 1.824 -1.601 1.00 0.51 H new ATOM 0 HG2 ARG A 41 85.079 1.666 -2.692 1.00 0.62 H new ATOM 0 HG3 ARG A 41 85.458 0.146 -1.905 1.00 0.62 H new ATOM 0 HD2 ARG A 41 83.827 -0.994 -3.574 1.00 1.10 H new ATOM 0 HD3 ARG A 41 83.775 0.529 -4.439 1.00 1.10 H new ATOM 0 HE ARG A 41 86.535 -0.462 -3.756 1.00 1.15 H new ATOM 0 HH11 ARG A 41 83.894 -0.936 -5.939 1.00 1.86 H new ATOM 0 HH12 ARG A 41 84.901 -0.907 -7.390 1.00 1.86 H new ATOM 0 HH21 ARG A 41 87.822 -0.095 -5.647 1.00 1.89 H new ATOM 0 HH22 ARG A 41 87.107 -0.435 -7.226 1.00 1.89 H new ATOM 187 N HIS A 42 83.089 1.949 1.527 1.00 0.47 N ATOM 188 CA HIS A 42 82.094 2.398 2.553 1.00 0.53 C ATOM 189 C HIS A 42 82.025 3.911 2.817 1.00 0.47 C ATOM 190 O HIS A 42 82.910 4.502 3.402 1.00 0.50 O ATOM 191 CB HIS A 42 82.538 1.679 3.813 1.00 0.63 C ATOM 192 CG HIS A 42 83.805 2.297 4.338 1.00 1.36 C ATOM 193 ND1 HIS A 42 85.028 2.525 3.757 1.00 2.39 N flip ATOM 194 CD2 HIS A 42 83.908 2.774 5.636 1.00 1.80 C flip ATOM 195 CE1 HIS A 42 85.877 3.134 4.677 1.00 3.20 C flip ATOM 196 NE2 HIS A 42 85.152 3.260 5.792 1.00 2.88 N flip ATOM 0 H HIS A 42 83.956 2.481 1.453 1.00 0.47 H new ATOM 0 HA HIS A 42 81.088 2.166 2.203 1.00 0.53 H new ATOM 0 HB2 HIS A 42 81.755 1.736 4.569 1.00 0.63 H new ATOM 0 HB3 HIS A 42 82.700 0.622 3.601 1.00 0.63 H new ATOM 0 HD1 HIS A 42 85.277 2.285 2.797 1.00 2.39 H new ATOM 0 HD2 HIS A 42 83.130 2.758 6.385 1.00 1.80 H new ATOM 0 HE1 HIS A 42 86.901 3.439 4.523 1.00 3.20 H new ATOM 204 N ILE A 43 80.927 4.521 2.430 1.00 0.47 N ATOM 205 CA ILE A 43 80.711 5.994 2.695 1.00 0.44 C ATOM 206 C ILE A 43 79.743 6.142 3.884 1.00 0.45 C ATOM 207 O ILE A 43 78.640 5.636 3.849 1.00 0.54 O ATOM 208 CB ILE A 43 80.086 6.599 1.398 1.00 0.47 C ATOM 209 CG1 ILE A 43 81.043 7.628 0.769 1.00 0.79 C ATOM 210 CG2 ILE A 43 78.760 7.312 1.701 1.00 0.84 C ATOM 211 CD1 ILE A 43 80.583 7.941 -0.657 1.00 0.85 C ATOM 0 H ILE A 43 80.161 4.062 1.937 1.00 0.47 H new ATOM 0 HA ILE A 43 81.640 6.509 2.940 1.00 0.44 H new ATOM 0 HB ILE A 43 79.910 5.772 0.710 1.00 0.47 H new ATOM 0 HG12 ILE A 43 81.059 8.539 1.367 1.00 0.79 H new ATOM 0 HG13 ILE A 43 82.060 7.236 0.758 1.00 0.79 H new ATOM 0 HG21 ILE A 43 78.349 7.723 0.779 1.00 0.84 H new ATOM 0 HG22 ILE A 43 78.053 6.600 2.128 1.00 0.84 H new ATOM 0 HG23 ILE A 43 78.935 8.120 2.412 1.00 0.84 H new ATOM 0 HD11 ILE A 43 81.258 8.669 -1.106 1.00 0.85 H new ATOM 0 HD12 ILE A 43 80.589 7.027 -1.250 1.00 0.85 H new ATOM 0 HD13 ILE A 43 79.573 8.350 -0.632 1.00 0.85 H new ATOM 223 N LEU A 44 80.123 6.836 4.924 1.00 0.44 N ATOM 224 CA LEU A 44 79.194 7.009 6.071 1.00 0.46 C ATOM 225 C LEU A 44 78.912 8.506 6.250 1.00 0.48 C ATOM 226 O LEU A 44 79.777 9.330 6.058 1.00 0.61 O ATOM 227 CB LEU A 44 79.947 6.421 7.280 1.00 0.65 C ATOM 228 CG LEU A 44 79.731 7.296 8.518 1.00 1.06 C ATOM 229 CD1 LEU A 44 78.232 7.446 8.783 1.00 1.77 C ATOM 230 CD2 LEU A 44 80.385 6.648 9.735 1.00 1.49 C ATOM 0 H LEU A 44 81.032 7.287 5.026 1.00 0.44 H new ATOM 0 HA LEU A 44 78.232 6.514 5.937 1.00 0.46 H new ATOM 0 HB2 LEU A 44 79.597 5.408 7.477 1.00 0.65 H new ATOM 0 HB3 LEU A 44 81.012 6.353 7.056 1.00 0.65 H new ATOM 0 HG LEU A 44 80.178 8.274 8.341 1.00 1.06 H new ATOM 0 HD11 LEU A 44 78.079 8.069 9.664 1.00 1.77 H new ATOM 0 HD12 LEU A 44 77.755 7.913 7.921 1.00 1.77 H new ATOM 0 HD13 LEU A 44 77.792 6.463 8.953 1.00 1.77 H new ATOM 0 HD21 LEU A 44 80.227 7.277 10.611 1.00 1.49 H new ATOM 0 HD22 LEU A 44 79.942 5.667 9.907 1.00 1.49 H new ATOM 0 HD23 LEU A 44 81.455 6.536 9.557 1.00 1.49 H new ATOM 242 N CYS A 45 77.718 8.866 6.618 1.00 0.52 N ATOM 243 CA CYS A 45 77.415 10.311 6.807 1.00 0.62 C ATOM 244 C CYS A 45 76.881 10.558 8.217 1.00 0.74 C ATOM 245 O CYS A 45 75.974 9.893 8.672 1.00 1.47 O ATOM 246 CB CYS A 45 76.349 10.632 5.763 1.00 0.60 C ATOM 247 SG CYS A 45 76.977 10.196 4.124 1.00 1.67 S ATOM 0 H CYS A 45 76.942 8.228 6.796 1.00 0.52 H new ATOM 0 HA CYS A 45 78.299 10.938 6.690 1.00 0.62 H new ATOM 0 HB2 CYS A 45 75.435 10.077 5.976 1.00 0.60 H new ATOM 0 HB3 CYS A 45 76.094 11.691 5.799 1.00 0.60 H new ATOM 0 HG CYS A 45 78.167 10.696 3.968 1.00 1.67 H new ATOM 253 N GLU A 46 77.432 11.513 8.913 1.00 0.74 N ATOM 254 CA GLU A 46 76.943 11.801 10.289 1.00 0.84 C ATOM 255 C GLU A 46 75.670 12.646 10.204 1.00 0.84 C ATOM 256 O GLU A 46 74.731 12.456 10.951 1.00 1.00 O ATOM 257 CB GLU A 46 78.074 12.581 10.960 1.00 1.11 C ATOM 258 CG GLU A 46 78.437 11.911 12.287 1.00 1.44 C ATOM 259 CD GLU A 46 79.934 12.083 12.556 1.00 1.94 C ATOM 260 OE1 GLU A 46 80.345 13.203 12.810 1.00 2.41 O ATOM 261 OE2 GLU A 46 80.642 11.091 12.504 1.00 2.60 O ATOM 0 H GLU A 46 78.197 12.105 8.589 1.00 0.74 H new ATOM 0 HA GLU A 46 76.698 10.900 10.850 1.00 0.84 H new ATOM 0 HB2 GLU A 46 78.946 12.614 10.306 1.00 1.11 H new ATOM 0 HB3 GLU A 46 77.766 13.612 11.133 1.00 1.11 H new ATOM 0 HG2 GLU A 46 77.858 12.352 13.099 1.00 1.44 H new ATOM 0 HG3 GLU A 46 78.183 10.852 12.253 1.00 1.44 H new ATOM 268 N LYS A 47 75.630 13.568 9.281 1.00 0.77 N ATOM 269 CA LYS A 47 74.418 14.419 9.122 1.00 0.86 C ATOM 270 C LYS A 47 73.438 13.742 8.163 1.00 0.74 C ATOM 271 O LYS A 47 72.320 14.184 7.985 1.00 0.89 O ATOM 272 CB LYS A 47 74.935 15.728 8.527 1.00 0.94 C ATOM 273 CG LYS A 47 75.765 16.467 9.577 1.00 1.42 C ATOM 274 CD LYS A 47 76.011 17.905 9.115 1.00 1.49 C ATOM 275 CE LYS A 47 77.517 18.155 9.015 1.00 1.52 C ATOM 276 NZ LYS A 47 77.741 19.439 9.738 1.00 2.04 N ATOM 0 H LYS A 47 76.388 13.769 8.628 1.00 0.77 H new ATOM 0 HA LYS A 47 73.890 14.582 10.062 1.00 0.86 H new ATOM 0 HB2 LYS A 47 75.541 15.525 7.644 1.00 0.94 H new ATOM 0 HB3 LYS A 47 74.100 16.349 8.204 1.00 0.94 H new ATOM 0 HG2 LYS A 47 75.244 16.466 10.534 1.00 1.42 H new ATOM 0 HG3 LYS A 47 76.715 15.956 9.730 1.00 1.42 H new ATOM 0 HD2 LYS A 47 75.538 18.074 8.148 1.00 1.49 H new ATOM 0 HD3 LYS A 47 75.560 18.607 9.817 1.00 1.49 H new ATOM 0 HE2 LYS A 47 78.084 17.342 9.469 1.00 1.52 H new ATOM 0 HE3 LYS A 47 77.838 18.226 7.976 1.00 1.52 H new ATOM 0 HZ1 LYS A 47 78.753 19.679 9.714 1.00 2.04 H new ATOM 0 HZ2 LYS A 47 77.194 20.196 9.279 1.00 2.04 H new ATOM 0 HZ3 LYS A 47 77.433 19.339 10.726 1.00 2.04 H new ATOM 290 N HIS A 48 73.854 12.670 7.541 1.00 0.59 N ATOM 291 CA HIS A 48 72.957 11.954 6.590 1.00 0.67 C ATOM 292 C HIS A 48 72.489 12.903 5.484 1.00 0.65 C ATOM 293 O HIS A 48 71.555 12.618 4.762 1.00 0.82 O ATOM 294 CB HIS A 48 71.782 11.481 7.440 1.00 0.92 C ATOM 295 CG HIS A 48 72.238 10.354 8.326 1.00 1.07 C ATOM 296 ND1 HIS A 48 73.580 10.084 8.544 1.00 1.10 N ATOM 297 CD2 HIS A 48 71.546 9.417 9.050 1.00 1.47 C ATOM 298 CE1 HIS A 48 73.655 9.023 9.370 1.00 1.35 C ATOM 299 NE2 HIS A 48 72.442 8.577 9.710 1.00 1.64 N ATOM 0 H HIS A 48 74.781 12.259 7.652 1.00 0.59 H new ATOM 0 HA HIS A 48 73.456 11.122 6.093 1.00 0.67 H new ATOM 0 HB2 HIS A 48 71.400 12.304 8.044 1.00 0.92 H new ATOM 0 HB3 HIS A 48 70.964 11.149 6.800 1.00 0.92 H new ATOM 0 HD1 HIS A 48 74.369 10.597 8.150 1.00 1.10 H new ATOM 0 HD2 HIS A 48 70.470 9.341 9.101 1.00 1.47 H new ATOM 0 HE1 HIS A 48 74.581 8.587 9.715 1.00 1.35 H new ATOM 307 N GLY A 49 73.141 14.023 5.342 1.00 0.55 N ATOM 308 CA GLY A 49 72.747 14.986 4.277 1.00 0.62 C ATOM 309 C GLY A 49 73.563 14.693 3.016 1.00 0.61 C ATOM 310 O GLY A 49 73.042 14.666 1.919 1.00 0.87 O ATOM 0 H GLY A 49 73.931 14.313 5.918 1.00 0.55 H new ATOM 0 HA2 GLY A 49 71.681 14.898 4.065 1.00 0.62 H new ATOM 0 HA3 GLY A 49 72.923 16.009 4.610 1.00 0.62 H new ATOM 314 N LYS A 50 74.840 14.467 3.168 1.00 0.47 N ATOM 315 CA LYS A 50 75.691 14.167 1.981 1.00 0.51 C ATOM 316 C LYS A 50 75.515 12.711 1.563 1.00 0.44 C ATOM 317 O LYS A 50 75.839 12.337 0.455 1.00 0.43 O ATOM 318 CB LYS A 50 77.125 14.435 2.438 1.00 0.62 C ATOM 319 CG LYS A 50 77.509 13.436 3.528 1.00 1.07 C ATOM 320 CD LYS A 50 77.510 14.137 4.888 1.00 0.81 C ATOM 321 CE LYS A 50 78.953 14.365 5.341 1.00 1.02 C ATOM 322 NZ LYS A 50 79.025 15.817 5.669 1.00 1.71 N ATOM 0 H LYS A 50 75.330 14.477 4.062 1.00 0.47 H new ATOM 0 HA LYS A 50 75.426 14.776 1.117 1.00 0.51 H new ATOM 0 HB2 LYS A 50 77.809 14.349 1.594 1.00 0.62 H new ATOM 0 HB3 LYS A 50 77.213 15.453 2.816 1.00 0.62 H new ATOM 0 HG2 LYS A 50 76.805 12.604 3.537 1.00 1.07 H new ATOM 0 HG3 LYS A 50 78.494 13.018 3.322 1.00 1.07 H new ATOM 0 HD2 LYS A 50 76.984 15.089 4.819 1.00 0.81 H new ATOM 0 HD3 LYS A 50 76.978 13.532 5.622 1.00 0.81 H new ATOM 0 HE2 LYS A 50 79.197 13.751 6.208 1.00 1.02 H new ATOM 0 HE3 LYS A 50 79.661 14.102 4.555 1.00 1.02 H new ATOM 0 HZ1 LYS A 50 79.986 16.053 5.989 1.00 1.71 H new ATOM 0 HZ2 LYS A 50 78.794 16.376 4.823 1.00 1.71 H new ATOM 0 HZ3 LYS A 50 78.345 16.036 6.425 1.00 1.71 H new ATOM 336 N ILE A 51 74.989 11.882 2.423 1.00 0.46 N ATOM 337 CA ILE A 51 74.792 10.464 2.022 1.00 0.48 C ATOM 338 C ILE A 51 74.113 10.443 0.658 1.00 0.48 C ATOM 339 O ILE A 51 74.394 9.604 -0.176 1.00 0.54 O ATOM 340 CB ILE A 51 73.906 9.841 3.105 1.00 0.58 C ATOM 341 CG1 ILE A 51 73.696 8.358 2.794 1.00 0.84 C ATOM 342 CG2 ILE A 51 72.550 10.548 3.145 1.00 0.63 C ATOM 343 CD1 ILE A 51 74.922 7.564 3.251 1.00 0.56 C ATOM 0 H ILE A 51 74.692 12.121 3.369 1.00 0.46 H new ATOM 0 HA ILE A 51 75.725 9.906 1.937 1.00 0.48 H new ATOM 0 HB ILE A 51 74.394 9.951 4.074 1.00 0.58 H new ATOM 0 HG12 ILE A 51 72.803 7.992 3.300 1.00 0.84 H new ATOM 0 HG13 ILE A 51 73.536 8.218 1.725 1.00 0.84 H new ATOM 0 HG21 ILE A 51 71.928 10.098 3.918 1.00 0.63 H new ATOM 0 HG22 ILE A 51 72.697 11.605 3.367 1.00 0.63 H new ATOM 0 HG23 ILE A 51 72.058 10.446 2.178 1.00 0.63 H new ATOM 0 HD11 ILE A 51 74.774 6.507 3.030 1.00 0.56 H new ATOM 0 HD12 ILE A 51 75.806 7.924 2.725 1.00 0.56 H new ATOM 0 HD13 ILE A 51 75.061 7.694 4.324 1.00 0.56 H new ATOM 355 N MET A 52 73.246 11.386 0.408 1.00 0.48 N ATOM 356 CA MET A 52 72.584 11.445 -0.917 1.00 0.55 C ATOM 357 C MET A 52 73.527 12.124 -1.898 1.00 0.52 C ATOM 358 O MET A 52 73.773 11.641 -2.986 1.00 0.61 O ATOM 359 CB MET A 52 71.322 12.276 -0.707 1.00 0.66 C ATOM 360 CG MET A 52 70.118 11.504 -1.237 1.00 1.21 C ATOM 361 SD MET A 52 69.697 12.104 -2.893 1.00 2.06 S ATOM 362 CE MET A 52 71.321 11.849 -3.653 1.00 2.15 C ATOM 0 H MET A 52 72.971 12.115 1.066 1.00 0.48 H new ATOM 0 HA MET A 52 72.336 10.462 -1.316 1.00 0.55 H new ATOM 0 HB2 MET A 52 71.190 12.497 0.352 1.00 0.66 H new ATOM 0 HB3 MET A 52 71.412 13.232 -1.223 1.00 0.66 H new ATOM 0 HG2 MET A 52 70.342 10.438 -1.271 1.00 1.21 H new ATOM 0 HG3 MET A 52 69.268 11.630 -0.566 1.00 1.21 H new ATOM 0 HE1 MET A 52 71.196 11.636 -4.715 1.00 2.15 H new ATOM 0 HE2 MET A 52 71.925 12.748 -3.532 1.00 2.15 H new ATOM 0 HE3 MET A 52 71.821 11.009 -3.171 1.00 2.15 H new ATOM 372 N GLU A 53 74.107 13.209 -1.495 1.00 0.47 N ATOM 373 CA GLU A 53 75.085 13.884 -2.375 1.00 0.51 C ATOM 374 C GLU A 53 76.109 12.833 -2.756 1.00 0.49 C ATOM 375 O GLU A 53 76.681 12.847 -3.827 1.00 0.57 O ATOM 376 CB GLU A 53 75.712 14.990 -1.526 1.00 0.53 C ATOM 377 CG GLU A 53 75.752 16.289 -2.333 1.00 0.68 C ATOM 378 CD GLU A 53 76.718 17.273 -1.669 1.00 1.11 C ATOM 379 OE1 GLU A 53 77.094 17.029 -0.535 1.00 1.65 O ATOM 380 OE2 GLU A 53 77.065 18.253 -2.308 1.00 1.79 O ATOM 0 H GLU A 53 73.946 13.658 -0.594 1.00 0.47 H new ATOM 0 HA GLU A 53 74.658 14.314 -3.281 1.00 0.51 H new ATOM 0 HB2 GLU A 53 75.135 15.134 -0.613 1.00 0.53 H new ATOM 0 HB3 GLU A 53 76.720 14.705 -1.224 1.00 0.53 H new ATOM 0 HG2 GLU A 53 76.070 16.085 -3.355 1.00 0.68 H new ATOM 0 HG3 GLU A 53 74.755 16.725 -2.390 1.00 0.68 H new ATOM 387 N ALA A 54 76.305 11.890 -1.875 1.00 0.43 N ATOM 388 CA ALA A 54 77.255 10.787 -2.166 1.00 0.46 C ATOM 389 C ALA A 54 76.562 9.804 -3.099 1.00 0.45 C ATOM 390 O ALA A 54 77.183 9.155 -3.915 1.00 0.48 O ATOM 391 CB ALA A 54 77.553 10.139 -0.814 1.00 0.55 C ATOM 0 H ALA A 54 75.846 11.839 -0.966 1.00 0.43 H new ATOM 0 HA ALA A 54 78.176 11.121 -2.644 1.00 0.46 H new ATOM 0 HB1 ALA A 54 78.251 9.313 -0.952 1.00 0.55 H new ATOM 0 HB2 ALA A 54 77.994 10.878 -0.145 1.00 0.55 H new ATOM 0 HB3 ALA A 54 76.627 9.763 -0.379 1.00 0.55 H new ATOM 397 N MET A 55 75.265 9.709 -2.991 1.00 0.44 N ATOM 398 CA MET A 55 74.513 8.782 -3.885 1.00 0.50 C ATOM 399 C MET A 55 74.396 9.400 -5.280 1.00 0.48 C ATOM 400 O MET A 55 74.601 8.744 -6.282 1.00 0.53 O ATOM 401 CB MET A 55 73.131 8.637 -3.250 1.00 0.58 C ATOM 402 CG MET A 55 73.136 7.465 -2.267 1.00 0.73 C ATOM 403 SD MET A 55 71.527 6.637 -2.313 1.00 0.98 S ATOM 404 CE MET A 55 71.313 6.459 -0.525 1.00 0.66 C ATOM 0 H MET A 55 74.695 10.231 -2.325 1.00 0.44 H new ATOM 0 HA MET A 55 75.008 7.817 -3.992 1.00 0.50 H new ATOM 0 HB2 MET A 55 72.860 9.557 -2.733 1.00 0.58 H new ATOM 0 HB3 MET A 55 72.380 8.473 -4.023 1.00 0.58 H new ATOM 0 HG2 MET A 55 73.927 6.762 -2.526 1.00 0.73 H new ATOM 0 HG3 MET A 55 73.345 7.822 -1.259 1.00 0.73 H new ATOM 0 HE1 MET A 55 70.607 5.654 -0.321 1.00 0.66 H new ATOM 0 HE2 MET A 55 72.273 6.225 -0.065 1.00 0.66 H new ATOM 0 HE3 MET A 55 70.930 7.391 -0.110 1.00 0.66 H new ATOM 414 N GLU A 56 74.072 10.664 -5.349 1.00 0.49 N ATOM 415 CA GLU A 56 73.946 11.332 -6.676 1.00 0.54 C ATOM 416 C GLU A 56 75.323 11.455 -7.331 1.00 0.53 C ATOM 417 O GLU A 56 75.563 10.922 -8.396 1.00 0.57 O ATOM 418 CB GLU A 56 73.370 12.716 -6.373 1.00 0.58 C ATOM 419 CG GLU A 56 72.007 12.861 -7.054 1.00 0.72 C ATOM 420 CD GLU A 56 71.809 14.313 -7.493 1.00 1.23 C ATOM 421 OE1 GLU A 56 72.629 15.139 -7.128 1.00 1.84 O ATOM 422 OE2 GLU A 56 70.840 14.574 -8.187 1.00 1.93 O ATOM 0 H GLU A 56 73.889 11.262 -4.543 1.00 0.49 H new ATOM 0 HA GLU A 56 73.312 10.772 -7.364 1.00 0.54 H new ATOM 0 HB2 GLU A 56 73.267 12.851 -5.296 1.00 0.58 H new ATOM 0 HB3 GLU A 56 74.050 13.490 -6.728 1.00 0.58 H new ATOM 0 HG2 GLU A 56 71.947 12.198 -7.917 1.00 0.72 H new ATOM 0 HG3 GLU A 56 71.213 12.565 -6.369 1.00 0.72 H new ATOM 429 N LYS A 57 76.234 12.147 -6.699 1.00 0.51 N ATOM 430 CA LYS A 57 77.596 12.290 -7.289 1.00 0.54 C ATOM 431 C LYS A 57 78.066 10.935 -7.820 1.00 0.53 C ATOM 432 O LYS A 57 78.187 10.735 -9.012 1.00 0.63 O ATOM 433 CB LYS A 57 78.482 12.764 -6.137 1.00 0.53 C ATOM 434 CG LYS A 57 78.209 14.246 -5.864 1.00 0.78 C ATOM 435 CD LYS A 57 79.532 14.976 -5.628 1.00 0.79 C ATOM 436 CE LYS A 57 79.415 16.418 -6.125 1.00 0.80 C ATOM 437 NZ LYS A 57 79.226 17.232 -4.891 1.00 1.21 N ATOM 0 H LYS A 57 76.095 12.617 -5.804 1.00 0.51 H new ATOM 0 HA LYS A 57 77.624 12.990 -8.124 1.00 0.54 H new ATOM 0 HB2 LYS A 57 78.281 12.175 -5.242 1.00 0.53 H new ATOM 0 HB3 LYS A 57 79.533 12.616 -6.387 1.00 0.53 H new ATOM 0 HG2 LYS A 57 77.682 14.691 -6.708 1.00 0.78 H new ATOM 0 HG3 LYS A 57 77.563 14.353 -4.993 1.00 0.78 H new ATOM 0 HD2 LYS A 57 79.781 14.965 -4.567 1.00 0.79 H new ATOM 0 HD3 LYS A 57 80.340 14.464 -6.151 1.00 0.79 H new ATOM 0 HE2 LYS A 57 80.310 16.723 -6.667 1.00 0.80 H new ATOM 0 HE3 LYS A 57 78.574 16.534 -6.808 1.00 0.80 H new ATOM 0 HZ1 LYS A 57 78.218 17.459 -4.776 1.00 1.21 H new ATOM 0 HZ2 LYS A 57 79.556 16.693 -4.065 1.00 1.21 H new ATOM 0 HZ3 LYS A 57 79.772 18.114 -4.970 1.00 1.21 H new ATOM 451 N LEU A 58 78.317 9.996 -6.946 1.00 0.46 N ATOM 452 CA LEU A 58 78.761 8.650 -7.413 1.00 0.49 C ATOM 453 C LEU A 58 77.915 8.215 -8.614 1.00 0.58 C ATOM 454 O LEU A 58 78.393 7.566 -9.523 1.00 0.65 O ATOM 455 CB LEU A 58 78.514 7.712 -6.229 1.00 0.47 C ATOM 456 CG LEU A 58 79.775 7.624 -5.366 1.00 0.64 C ATOM 457 CD1 LEU A 58 79.684 8.633 -4.221 1.00 0.83 C ATOM 458 CD2 LEU A 58 79.897 6.212 -4.788 1.00 0.97 C ATOM 0 H LEU A 58 78.234 10.102 -5.935 1.00 0.46 H new ATOM 0 HA LEU A 58 79.805 8.645 -7.726 1.00 0.49 H new ATOM 0 HB2 LEU A 58 77.678 8.077 -5.632 1.00 0.47 H new ATOM 0 HB3 LEU A 58 78.239 6.721 -6.590 1.00 0.47 H new ATOM 0 HG LEU A 58 80.649 7.847 -5.978 1.00 0.64 H new ATOM 0 HD11 LEU A 58 80.583 8.569 -3.607 1.00 0.83 H new ATOM 0 HD12 LEU A 58 79.594 9.640 -4.629 1.00 0.83 H new ATOM 0 HD13 LEU A 58 78.810 8.411 -3.609 1.00 0.83 H new ATOM 0 HD21 LEU A 58 80.795 6.147 -4.173 1.00 0.97 H new ATOM 0 HD22 LEU A 58 79.022 5.992 -4.177 1.00 0.97 H new ATOM 0 HD23 LEU A 58 79.962 5.490 -5.602 1.00 0.97 H new ATOM 470 N LYS A 59 76.658 8.572 -8.621 1.00 0.60 N ATOM 471 CA LYS A 59 75.771 8.184 -9.757 1.00 0.71 C ATOM 472 C LYS A 59 76.059 9.060 -10.977 1.00 0.76 C ATOM 473 O LYS A 59 76.681 8.629 -11.928 1.00 0.91 O ATOM 474 CB LYS A 59 74.351 8.433 -9.250 1.00 0.74 C ATOM 475 CG LYS A 59 73.737 7.111 -8.788 1.00 1.28 C ATOM 476 CD LYS A 59 72.604 6.716 -9.738 1.00 1.53 C ATOM 477 CE LYS A 59 71.300 7.371 -9.276 1.00 1.83 C ATOM 478 NZ LYS A 59 70.278 6.924 -10.265 1.00 2.13 N ATOM 0 H LYS A 59 76.206 9.117 -7.887 1.00 0.60 H new ATOM 0 HA LYS A 59 75.923 7.149 -10.064 1.00 0.71 H new ATOM 0 HB2 LYS A 59 74.367 9.147 -8.426 1.00 0.74 H new ATOM 0 HB3 LYS A 59 73.743 8.872 -10.041 1.00 0.74 H new ATOM 0 HG2 LYS A 59 74.498 6.331 -8.768 1.00 1.28 H new ATOM 0 HG3 LYS A 59 73.356 7.210 -7.772 1.00 1.28 H new ATOM 0 HD2 LYS A 59 72.841 7.030 -10.755 1.00 1.53 H new ATOM 0 HD3 LYS A 59 72.492 5.632 -9.757 1.00 1.53 H new ATOM 0 HE2 LYS A 59 71.036 7.058 -8.266 1.00 1.83 H new ATOM 0 HE3 LYS A 59 71.387 8.457 -9.261 1.00 1.83 H new ATOM 0 HZ1 LYS A 59 69.354 7.332 -10.017 1.00 2.13 H new ATOM 0 HZ2 LYS A 59 70.553 7.242 -11.216 1.00 2.13 H new ATOM 0 HZ3 LYS A 59 70.213 5.886 -10.252 1.00 2.13 H new ATOM 492 N SER A 60 75.608 10.285 -10.955 1.00 0.77 N ATOM 493 CA SER A 60 75.849 11.200 -12.110 1.00 0.86 C ATOM 494 C SER A 60 77.266 11.006 -12.651 1.00 0.88 C ATOM 495 O SER A 60 77.497 11.044 -13.843 1.00 1.00 O ATOM 496 CB SER A 60 75.684 12.612 -11.543 1.00 0.84 C ATOM 497 OG SER A 60 75.538 12.550 -10.131 1.00 0.92 O ATOM 0 H SER A 60 75.081 10.694 -10.184 1.00 0.77 H new ATOM 0 HA SER A 60 75.163 11.009 -12.935 1.00 0.86 H new ATOM 0 HB2 SER A 60 76.550 13.221 -11.802 1.00 0.84 H new ATOM 0 HB3 SER A 60 74.812 13.092 -11.987 1.00 0.84 H new ATOM 0 HG SER A 60 76.183 11.911 -9.763 1.00 0.92 H new ATOM 503 N GLY A 61 78.216 10.797 -11.783 1.00 0.85 N ATOM 504 CA GLY A 61 79.616 10.598 -12.247 1.00 0.89 C ATOM 505 C GLY A 61 80.491 11.744 -11.737 1.00 0.79 C ATOM 506 O GLY A 61 81.461 12.120 -12.364 1.00 0.89 O ATOM 0 H GLY A 61 78.083 10.755 -10.773 1.00 0.85 H new ATOM 0 HA2 GLY A 61 79.999 9.645 -11.883 1.00 0.89 H new ATOM 0 HA3 GLY A 61 79.647 10.559 -13.336 1.00 0.89 H new ATOM 510 N MET A 62 80.165 12.299 -10.601 1.00 0.70 N ATOM 511 CA MET A 62 80.991 13.412 -10.061 1.00 0.67 C ATOM 512 C MET A 62 82.262 12.843 -9.429 1.00 0.63 C ATOM 513 O MET A 62 82.764 11.817 -9.844 1.00 0.81 O ATOM 514 CB MET A 62 80.112 14.085 -9.006 1.00 0.68 C ATOM 515 CG MET A 62 80.013 15.581 -9.308 1.00 1.28 C ATOM 516 SD MET A 62 78.789 15.853 -10.613 1.00 1.98 S ATOM 517 CE MET A 62 77.316 15.763 -9.566 1.00 2.28 C ATOM 0 H MET A 62 79.366 12.030 -10.027 1.00 0.70 H new ATOM 0 HA MET A 62 81.302 14.119 -10.830 1.00 0.67 H new ATOM 0 HB2 MET A 62 79.119 13.636 -9.004 1.00 0.68 H new ATOM 0 HB3 MET A 62 80.533 13.930 -8.013 1.00 0.68 H new ATOM 0 HG2 MET A 62 79.728 16.126 -8.408 1.00 1.28 H new ATOM 0 HG3 MET A 62 80.984 15.965 -9.620 1.00 1.28 H new ATOM 0 HE1 MET A 62 76.463 16.180 -10.101 1.00 2.28 H new ATOM 0 HE2 MET A 62 77.112 14.722 -9.313 1.00 2.28 H new ATOM 0 HE3 MET A 62 77.484 16.332 -8.652 1.00 2.28 H new ATOM 527 N ARG A 63 82.786 13.491 -8.429 1.00 0.69 N ATOM 528 CA ARG A 63 84.020 12.972 -7.782 1.00 0.74 C ATOM 529 C ARG A 63 83.729 11.673 -7.045 1.00 0.63 C ATOM 530 O ARG A 63 82.859 11.617 -6.204 1.00 0.58 O ATOM 531 CB ARG A 63 84.417 14.026 -6.762 1.00 0.92 C ATOM 532 CG ARG A 63 84.784 15.325 -7.458 1.00 0.83 C ATOM 533 CD ARG A 63 84.528 16.485 -6.491 1.00 0.88 C ATOM 534 NE ARG A 63 85.804 17.255 -6.472 1.00 0.93 N ATOM 535 CZ ARG A 63 85.787 18.551 -6.624 1.00 1.19 C ATOM 536 NH1 ARG A 63 84.781 19.249 -6.172 1.00 1.89 N ATOM 537 NH2 ARG A 63 86.777 19.149 -7.228 1.00 1.75 N ATOM 0 H ARG A 63 82.415 14.355 -8.033 1.00 0.69 H new ATOM 0 HA ARG A 63 84.798 12.778 -8.520 1.00 0.74 H new ATOM 0 HB2 ARG A 63 83.594 14.198 -6.068 1.00 0.92 H new ATOM 0 HB3 ARG A 63 85.262 13.671 -6.173 1.00 0.92 H new ATOM 0 HG2 ARG A 63 85.831 15.309 -7.762 1.00 0.83 H new ATOM 0 HG3 ARG A 63 84.191 15.450 -8.364 1.00 0.83 H new ATOM 0 HD2 ARG A 63 83.697 17.105 -6.828 1.00 0.88 H new ATOM 0 HD3 ARG A 63 84.271 16.121 -5.496 1.00 0.88 H new ATOM 0 HE ARG A 63 86.691 16.769 -6.340 1.00 0.93 H new ATOM 0 HH11 ARG A 63 84.007 18.782 -5.699 1.00 1.89 H new ATOM 0 HH12 ARG A 63 84.769 20.262 -6.291 1.00 1.89 H new ATOM 0 HH21 ARG A 63 87.563 18.604 -7.581 1.00 1.75 H new ATOM 0 HH22 ARG A 63 86.765 20.162 -7.347 1.00 1.75 H new ATOM 551 N PHE A 64 84.464 10.639 -7.320 1.00 0.67 N ATOM 552 CA PHE A 64 84.233 9.369 -6.588 1.00 0.66 C ATOM 553 C PHE A 64 85.117 9.353 -5.340 1.00 0.65 C ATOM 554 O PHE A 64 84.764 8.794 -4.320 1.00 0.68 O ATOM 555 CB PHE A 64 84.638 8.262 -7.561 1.00 0.82 C ATOM 556 CG PHE A 64 83.397 7.619 -8.132 1.00 0.98 C ATOM 557 CD1 PHE A 64 82.433 7.076 -7.274 1.00 1.69 C ATOM 558 CD2 PHE A 64 83.209 7.567 -9.518 1.00 1.63 C ATOM 559 CE1 PHE A 64 81.282 6.480 -7.803 1.00 2.07 C ATOM 560 CE2 PHE A 64 82.058 6.970 -10.047 1.00 2.06 C ATOM 561 CZ PHE A 64 81.094 6.427 -9.189 1.00 2.00 C ATOM 0 H PHE A 64 85.210 10.617 -8.015 1.00 0.67 H new ATOM 0 HA PHE A 64 83.200 9.244 -6.263 1.00 0.66 H new ATOM 0 HB2 PHE A 64 85.250 8.674 -8.364 1.00 0.82 H new ATOM 0 HB3 PHE A 64 85.245 7.516 -7.048 1.00 0.82 H new ATOM 0 HD1 PHE A 64 82.577 7.117 -6.204 1.00 1.69 H new ATOM 0 HD2 PHE A 64 83.952 7.987 -10.180 1.00 1.63 H new ATOM 0 HE1 PHE A 64 80.539 6.061 -7.141 1.00 2.07 H new ATOM 0 HE2 PHE A 64 81.914 6.928 -11.117 1.00 2.06 H new ATOM 0 HZ PHE A 64 80.206 5.967 -9.596 1.00 2.00 H new ATOM 571 N ASN A 65 86.269 9.970 -5.415 1.00 0.70 N ATOM 572 CA ASN A 65 87.179 9.999 -4.237 1.00 0.74 C ATOM 573 C ASN A 65 86.895 11.228 -3.368 1.00 0.59 C ATOM 574 O ASN A 65 87.015 11.177 -2.162 1.00 0.62 O ATOM 575 CB ASN A 65 88.594 10.051 -4.826 1.00 0.93 C ATOM 576 CG ASN A 65 89.566 10.660 -3.809 1.00 1.12 C ATOM 577 OD1 ASN A 65 89.494 11.836 -3.511 1.00 1.88 O ATOM 578 ND2 ASN A 65 90.479 9.904 -3.261 1.00 1.73 N ATOM 0 H ASN A 65 86.616 10.454 -6.243 1.00 0.70 H new ATOM 0 HA ASN A 65 87.045 9.131 -3.591 1.00 0.74 H new ATOM 0 HB2 ASN A 65 88.921 9.047 -5.097 1.00 0.93 H new ATOM 0 HB3 ASN A 65 88.594 10.644 -5.741 1.00 0.93 H new ATOM 0 HD21 ASN A 65 91.130 10.301 -2.584 1.00 1.73 H new ATOM 0 HD22 ASN A 65 90.541 8.917 -3.510 1.00 1.73 H new ATOM 585 N GLU A 66 86.514 12.329 -3.960 1.00 0.51 N ATOM 586 CA GLU A 66 86.229 13.532 -3.132 1.00 0.47 C ATOM 587 C GLU A 66 85.002 13.245 -2.287 1.00 0.39 C ATOM 588 O GLU A 66 85.029 13.358 -1.079 1.00 0.41 O ATOM 589 CB GLU A 66 85.970 14.676 -4.110 1.00 0.54 C ATOM 590 CG GLU A 66 87.088 14.723 -5.155 1.00 1.21 C ATOM 591 CD GLU A 66 88.089 15.818 -4.780 1.00 1.70 C ATOM 592 OE1 GLU A 66 87.778 16.977 -4.999 1.00 2.08 O ATOM 593 OE2 GLU A 66 89.149 15.479 -4.280 1.00 2.39 O ATOM 0 H GLU A 66 86.390 12.445 -4.966 1.00 0.51 H new ATOM 0 HA GLU A 66 87.050 13.791 -2.464 1.00 0.47 H new ATOM 0 HB2 GLU A 66 85.006 14.537 -4.600 1.00 0.54 H new ATOM 0 HB3 GLU A 66 85.921 15.623 -3.573 1.00 0.54 H new ATOM 0 HG2 GLU A 66 87.591 13.758 -5.209 1.00 1.21 H new ATOM 0 HG3 GLU A 66 86.670 14.920 -6.142 1.00 1.21 H new ATOM 600 N VAL A 67 83.929 12.833 -2.899 1.00 0.36 N ATOM 601 CA VAL A 67 82.742 12.503 -2.089 1.00 0.34 C ATOM 602 C VAL A 67 83.146 11.392 -1.120 1.00 0.37 C ATOM 603 O VAL A 67 83.013 11.508 0.078 1.00 0.45 O ATOM 604 CB VAL A 67 81.670 12.000 -3.064 1.00 0.36 C ATOM 605 CG1 VAL A 67 81.247 13.119 -4.000 1.00 0.57 C ATOM 606 CG2 VAL A 67 82.204 10.842 -3.887 1.00 0.58 C ATOM 0 H VAL A 67 83.829 12.714 -3.907 1.00 0.36 H new ATOM 0 HA VAL A 67 82.362 13.355 -1.524 1.00 0.34 H new ATOM 0 HB VAL A 67 80.811 11.665 -2.483 1.00 0.36 H new ATOM 0 HG11 VAL A 67 80.486 12.750 -4.687 1.00 0.57 H new ATOM 0 HG12 VAL A 67 80.840 13.946 -3.418 1.00 0.57 H new ATOM 0 HG13 VAL A 67 82.111 13.465 -4.567 1.00 0.57 H new ATOM 0 HG21 VAL A 67 81.431 10.497 -4.574 1.00 0.58 H new ATOM 0 HG22 VAL A 67 83.074 11.170 -4.455 1.00 0.58 H new ATOM 0 HG23 VAL A 67 82.491 10.026 -3.224 1.00 0.58 H new ATOM 616 N ALA A 68 83.689 10.325 -1.638 1.00 0.45 N ATOM 617 CA ALA A 68 84.131 9.222 -0.765 1.00 0.53 C ATOM 618 C ALA A 68 84.987 9.800 0.338 1.00 0.49 C ATOM 619 O ALA A 68 84.882 9.418 1.479 1.00 0.56 O ATOM 620 CB ALA A 68 84.956 8.309 -1.666 1.00 0.64 C ATOM 0 H ALA A 68 83.843 10.177 -2.635 1.00 0.45 H new ATOM 0 HA ALA A 68 83.307 8.679 -0.303 1.00 0.53 H new ATOM 0 HB1 ALA A 68 85.322 7.461 -1.087 1.00 0.64 H new ATOM 0 HB2 ALA A 68 84.334 7.948 -2.485 1.00 0.64 H new ATOM 0 HB3 ALA A 68 85.802 8.865 -2.070 1.00 0.64 H new ATOM 626 N ALA A 69 85.825 10.738 0.006 1.00 0.46 N ATOM 627 CA ALA A 69 86.674 11.351 1.048 1.00 0.50 C ATOM 628 C ALA A 69 85.795 11.830 2.197 1.00 0.47 C ATOM 629 O ALA A 69 85.798 11.254 3.266 1.00 0.53 O ATOM 630 CB ALA A 69 87.377 12.534 0.378 1.00 0.56 C ATOM 0 H ALA A 69 85.955 11.102 -0.938 1.00 0.46 H new ATOM 0 HA ALA A 69 87.399 10.647 1.456 1.00 0.50 H new ATOM 0 HB1 ALA A 69 88.023 13.031 1.102 1.00 0.56 H new ATOM 0 HB2 ALA A 69 87.978 12.175 -0.458 1.00 0.56 H new ATOM 0 HB3 ALA A 69 86.632 13.240 0.012 1.00 0.56 H new ATOM 636 N GLN A 70 85.045 12.885 2.008 1.00 0.46 N ATOM 637 CA GLN A 70 84.198 13.355 3.142 1.00 0.53 C ATOM 638 C GLN A 70 82.802 12.756 3.146 1.00 0.58 C ATOM 639 O GLN A 70 82.285 12.418 4.183 1.00 0.71 O ATOM 640 CB GLN A 70 84.088 14.872 3.059 1.00 0.64 C ATOM 641 CG GLN A 70 84.978 15.522 4.133 1.00 1.05 C ATOM 642 CD GLN A 70 84.908 14.739 5.467 1.00 1.46 C ATOM 643 OE1 GLN A 70 83.870 13.974 5.742 1.00 2.28 O flip ATOM 644 NE2 GLN A 70 85.814 14.826 6.272 1.00 1.30 N flip ATOM 0 H GLN A 70 84.982 13.426 1.146 1.00 0.46 H new ATOM 0 HA GLN A 70 84.679 13.030 4.065 1.00 0.53 H new ATOM 0 HB2 GLN A 70 84.390 15.213 2.069 1.00 0.64 H new ATOM 0 HB3 GLN A 70 83.051 15.178 3.199 1.00 0.64 H new ATOM 0 HG2 GLN A 70 86.009 15.557 3.782 1.00 1.05 H new ATOM 0 HG3 GLN A 70 84.662 16.552 4.296 1.00 1.05 H new ATOM 0 HE21 GLN A 70 86.622 15.415 6.069 1.00 1.30 H new ATOM 0 HE22 GLN A 70 85.767 14.310 7.151 1.00 1.30 H new ATOM 653 N TYR A 71 82.148 12.681 2.027 1.00 0.54 N ATOM 654 CA TYR A 71 80.763 12.149 2.059 1.00 0.63 C ATOM 655 C TYR A 71 80.771 10.849 2.857 1.00 0.66 C ATOM 656 O TYR A 71 79.811 10.496 3.511 1.00 0.82 O ATOM 657 CB TYR A 71 80.329 11.949 0.606 1.00 0.58 C ATOM 658 CG TYR A 71 80.111 13.300 -0.060 1.00 0.64 C ATOM 659 CD1 TYR A 71 80.742 14.468 0.422 1.00 0.84 C ATOM 660 CD2 TYR A 71 79.266 13.382 -1.172 1.00 1.01 C ATOM 661 CE1 TYR A 71 80.519 15.695 -0.215 1.00 0.92 C ATOM 662 CE2 TYR A 71 79.048 14.611 -1.805 1.00 1.10 C ATOM 663 CZ TYR A 71 79.674 15.766 -1.327 1.00 0.86 C ATOM 664 OH TYR A 71 79.457 16.977 -1.953 1.00 1.01 O ATOM 0 H TYR A 71 82.501 12.958 1.111 1.00 0.54 H new ATOM 0 HA TYR A 71 80.056 12.823 2.543 1.00 0.63 H new ATOM 0 HB2 TYR A 71 81.089 11.385 0.065 1.00 0.58 H new ATOM 0 HB3 TYR A 71 79.411 11.363 0.569 1.00 0.58 H new ATOM 0 HD1 TYR A 71 81.395 14.415 1.280 1.00 0.84 H new ATOM 0 HD2 TYR A 71 78.779 12.492 -1.544 1.00 1.01 H new ATOM 0 HE1 TYR A 71 81.001 16.589 0.153 1.00 0.92 H new ATOM 0 HE2 TYR A 71 78.395 14.667 -2.664 1.00 1.10 H new ATOM 0 HH TYR A 71 80.309 17.334 -2.280 1.00 1.01 H new ATOM 674 N SER A 72 81.876 10.153 2.832 1.00 0.59 N ATOM 675 CA SER A 72 81.982 8.892 3.619 1.00 0.70 C ATOM 676 C SER A 72 82.141 9.219 5.113 1.00 0.85 C ATOM 677 O SER A 72 82.198 8.330 5.939 1.00 1.59 O ATOM 678 CB SER A 72 83.247 8.205 3.106 1.00 0.67 C ATOM 679 OG SER A 72 83.437 6.979 3.799 1.00 1.30 O ATOM 0 H SER A 72 82.710 10.404 2.300 1.00 0.59 H new ATOM 0 HA SER A 72 81.097 8.265 3.508 1.00 0.70 H new ATOM 0 HB2 SER A 72 83.164 8.020 2.035 1.00 0.67 H new ATOM 0 HB3 SER A 72 84.110 8.854 3.251 1.00 0.67 H new ATOM 0 HG SER A 72 83.421 6.236 3.160 1.00 1.30 H new ATOM 685 N GLU A 73 82.209 10.488 5.448 1.00 1.25 N ATOM 686 CA GLU A 73 82.368 10.927 6.869 1.00 1.42 C ATOM 687 C GLU A 73 83.050 9.842 7.697 1.00 1.10 C ATOM 688 O GLU A 73 82.607 9.496 8.774 1.00 1.60 O ATOM 689 CB GLU A 73 80.947 11.183 7.356 1.00 2.18 C ATOM 690 CG GLU A 73 80.923 12.448 8.214 1.00 3.04 C ATOM 691 CD GLU A 73 81.668 12.192 9.525 1.00 3.45 C ATOM 692 OE1 GLU A 73 81.291 11.267 10.226 1.00 3.94 O ATOM 693 OE2 GLU A 73 82.602 12.924 9.805 1.00 3.73 O ATOM 0 H GLU A 73 82.159 11.254 4.777 1.00 1.25 H new ATOM 0 HA GLU A 73 82.995 11.814 6.962 1.00 1.42 H new ATOM 0 HB2 GLU A 73 80.274 11.295 6.506 1.00 2.18 H new ATOM 0 HB3 GLU A 73 80.590 10.331 7.935 1.00 2.18 H new ATOM 0 HG2 GLU A 73 81.387 13.274 7.675 1.00 3.04 H new ATOM 0 HG3 GLU A 73 79.893 12.741 8.420 1.00 3.04 H new ATOM 700 N ASP A 74 84.126 9.305 7.184 1.00 0.83 N ATOM 701 CA ASP A 74 84.868 8.223 7.911 1.00 1.38 C ATOM 702 C ASP A 74 85.808 7.484 6.945 1.00 1.37 C ATOM 703 O ASP A 74 85.379 6.913 5.963 1.00 1.93 O ATOM 704 CB ASP A 74 83.785 7.267 8.438 1.00 1.92 C ATOM 705 CG ASP A 74 84.382 5.879 8.690 1.00 2.86 C ATOM 706 OD1 ASP A 74 85.449 5.813 9.278 1.00 3.40 O ATOM 707 OD2 ASP A 74 83.762 4.908 8.290 1.00 3.53 O ATOM 0 H ASP A 74 84.529 9.570 6.285 1.00 0.83 H new ATOM 0 HA ASP A 74 85.483 8.622 8.718 1.00 1.38 H new ATOM 0 HB2 ASP A 74 83.360 7.661 9.361 1.00 1.92 H new ATOM 0 HB3 ASP A 74 82.971 7.195 7.717 1.00 1.92 H new ATOM 712 N LYS A 75 87.084 7.481 7.230 1.00 1.25 N ATOM 713 CA LYS A 75 88.056 6.767 6.346 1.00 1.24 C ATOM 714 C LYS A 75 87.696 6.956 4.867 1.00 1.09 C ATOM 715 O LYS A 75 87.859 6.060 4.064 1.00 1.64 O ATOM 716 CB LYS A 75 87.931 5.294 6.738 1.00 1.43 C ATOM 717 CG LYS A 75 88.978 4.468 5.987 1.00 1.78 C ATOM 718 CD LYS A 75 90.061 4.008 6.967 1.00 2.31 C ATOM 719 CE LYS A 75 90.908 2.914 6.315 1.00 2.67 C ATOM 720 NZ LYS A 75 92.250 3.037 6.952 1.00 3.04 N ATOM 0 H LYS A 75 87.497 7.944 8.040 1.00 1.25 H new ATOM 0 HA LYS A 75 89.070 7.147 6.469 1.00 1.24 H new ATOM 0 HB2 LYS A 75 88.068 5.181 7.813 1.00 1.43 H new ATOM 0 HB3 LYS A 75 86.931 4.929 6.504 1.00 1.43 H new ATOM 0 HG2 LYS A 75 88.507 3.605 5.517 1.00 1.78 H new ATOM 0 HG3 LYS A 75 89.423 5.063 5.189 1.00 1.78 H new ATOM 0 HD2 LYS A 75 90.692 4.851 7.250 1.00 2.31 H new ATOM 0 HD3 LYS A 75 89.603 3.631 7.881 1.00 2.31 H new ATOM 0 HE2 LYS A 75 90.478 1.927 6.486 1.00 2.67 H new ATOM 0 HE3 LYS A 75 90.969 3.052 5.236 1.00 2.67 H new ATOM 0 HZ1 LYS A 75 92.889 2.318 6.556 1.00 3.04 H new ATOM 0 HZ2 LYS A 75 92.637 3.984 6.767 1.00 3.04 H new ATOM 0 HZ3 LYS A 75 92.162 2.894 7.978 1.00 3.04 H new ATOM 799 N ASP A 81 88.503 2.520 -0.052 1.00 0.89 N ATOM 800 CA ASP A 81 88.334 1.115 -0.522 1.00 0.67 C ATOM 801 C ASP A 81 88.770 0.128 0.562 1.00 0.67 C ATOM 802 O ASP A 81 89.885 -0.357 0.538 1.00 0.77 O ATOM 803 CB ASP A 81 89.238 1.000 -1.749 1.00 0.70 C ATOM 804 CG ASP A 81 88.830 -0.225 -2.568 1.00 1.36 C ATOM 805 OD1 ASP A 81 88.526 -1.242 -1.965 1.00 1.98 O ATOM 806 OD2 ASP A 81 88.827 -0.127 -3.784 1.00 2.11 O ATOM 0 HA ASP A 81 87.295 0.882 -0.754 1.00 0.67 H new ATOM 0 HB2 ASP A 81 89.159 1.901 -2.358 1.00 0.70 H new ATOM 0 HB3 ASP A 81 90.280 0.914 -1.440 1.00 0.70 H new ATOM 811 N LEU A 82 87.916 -0.170 1.521 1.00 0.72 N ATOM 812 CA LEU A 82 88.317 -1.127 2.595 1.00 0.86 C ATOM 813 C LEU A 82 89.178 -2.254 2.015 1.00 0.85 C ATOM 814 O LEU A 82 90.035 -2.798 2.681 1.00 1.08 O ATOM 815 CB LEU A 82 87.007 -1.676 3.150 1.00 1.00 C ATOM 816 CG LEU A 82 86.823 -1.147 4.569 1.00 0.99 C ATOM 817 CD1 LEU A 82 85.747 -0.062 4.575 1.00 1.50 C ATOM 818 CD2 LEU A 82 86.408 -2.291 5.495 1.00 1.56 C ATOM 0 H LEU A 82 86.971 0.206 1.601 1.00 0.72 H new ATOM 0 HA LEU A 82 88.914 -0.647 3.370 1.00 0.86 H new ATOM 0 HB2 LEU A 82 86.171 -1.370 2.520 1.00 1.00 H new ATOM 0 HB3 LEU A 82 87.023 -2.766 3.151 1.00 1.00 H new ATOM 0 HG LEU A 82 87.763 -0.724 4.922 1.00 0.99 H new ATOM 0 HD11 LEU A 82 85.616 0.315 5.589 1.00 1.50 H new ATOM 0 HD12 LEU A 82 86.050 0.755 3.920 1.00 1.50 H new ATOM 0 HD13 LEU A 82 84.806 -0.481 4.220 1.00 1.50 H new ATOM 0 HD21 LEU A 82 86.277 -1.910 6.508 1.00 1.56 H new ATOM 0 HD22 LEU A 82 85.469 -2.720 5.145 1.00 1.56 H new ATOM 0 HD23 LEU A 82 87.181 -3.059 5.493 1.00 1.56 H new ATOM 830 N GLY A 83 88.969 -2.593 0.771 1.00 0.69 N ATOM 831 CA GLY A 83 89.790 -3.666 0.141 1.00 0.77 C ATOM 832 C GLY A 83 89.143 -5.030 0.375 1.00 0.69 C ATOM 833 O GLY A 83 88.100 -5.143 0.989 1.00 0.69 O ATOM 0 H GLY A 83 88.265 -2.173 0.164 1.00 0.69 H new ATOM 0 HA2 GLY A 83 89.887 -3.480 -0.929 1.00 0.77 H new ATOM 0 HA3 GLY A 83 90.797 -3.656 0.558 1.00 0.77 H new ATOM 837 N TRP A 84 89.762 -6.069 -0.113 1.00 0.69 N ATOM 838 CA TRP A 84 89.201 -7.437 0.071 1.00 0.64 C ATOM 839 C TRP A 84 88.817 -7.657 1.535 1.00 0.63 C ATOM 840 O TRP A 84 89.542 -7.290 2.438 1.00 0.82 O ATOM 841 CB TRP A 84 90.337 -8.372 -0.346 1.00 0.69 C ATOM 842 CG TRP A 84 90.273 -8.587 -1.818 1.00 0.73 C ATOM 843 CD1 TRP A 84 91.176 -8.120 -2.701 1.00 0.91 C ATOM 844 CD2 TRP A 84 89.274 -9.307 -2.590 1.00 0.69 C ATOM 845 NE1 TRP A 84 90.794 -8.499 -3.975 1.00 0.96 N ATOM 846 CE2 TRP A 84 89.625 -9.236 -3.958 1.00 0.80 C ATOM 847 CE3 TRP A 84 88.107 -10.008 -2.239 1.00 0.68 C ATOM 848 CZ2 TRP A 84 88.843 -9.836 -4.946 1.00 0.82 C ATOM 849 CZ3 TRP A 84 87.320 -10.613 -3.228 1.00 0.74 C ATOM 850 CH2 TRP A 84 87.685 -10.528 -4.580 1.00 0.77 C ATOM 0 H TRP A 84 90.638 -6.029 -0.635 1.00 0.69 H new ATOM 0 HA TRP A 84 88.297 -7.607 -0.513 1.00 0.64 H new ATOM 0 HB2 TRP A 84 91.299 -7.941 -0.070 1.00 0.69 H new ATOM 0 HB3 TRP A 84 90.252 -9.324 0.178 1.00 0.69 H new ATOM 0 HD1 TRP A 84 92.055 -7.543 -2.454 1.00 0.91 H new ATOM 0 HE1 TRP A 84 91.311 -8.264 -4.822 1.00 0.96 H new ATOM 0 HE3 TRP A 84 87.816 -10.081 -1.202 1.00 0.68 H new ATOM 0 HZ2 TRP A 84 89.130 -9.766 -5.985 1.00 0.82 H new ATOM 0 HZ3 TRP A 84 86.425 -11.149 -2.947 1.00 0.74 H new ATOM 0 HH2 TRP A 84 87.073 -10.996 -5.336 1.00 0.77 H new ATOM 861 N MET A 85 87.679 -8.248 1.780 1.00 0.50 N ATOM 862 CA MET A 85 87.255 -8.480 3.191 1.00 0.55 C ATOM 863 C MET A 85 86.642 -9.873 3.342 1.00 0.46 C ATOM 864 O MET A 85 85.933 -10.346 2.474 1.00 0.43 O ATOM 865 CB MET A 85 86.209 -7.401 3.471 1.00 0.64 C ATOM 866 CG MET A 85 86.821 -6.317 4.361 1.00 0.94 C ATOM 867 SD MET A 85 87.091 -6.982 6.023 1.00 1.48 S ATOM 868 CE MET A 85 88.273 -5.730 6.579 1.00 1.66 C ATOM 0 H MET A 85 87.027 -8.579 1.068 1.00 0.50 H new ATOM 0 HA MET A 85 88.093 -8.428 3.886 1.00 0.55 H new ATOM 0 HB2 MET A 85 85.861 -6.965 2.535 1.00 0.64 H new ATOM 0 HB3 MET A 85 85.340 -7.840 3.960 1.00 0.64 H new ATOM 0 HG2 MET A 85 87.765 -5.974 3.937 1.00 0.94 H new ATOM 0 HG3 MET A 85 86.159 -5.452 4.407 1.00 0.94 H new ATOM 0 HE1 MET A 85 89.222 -6.208 6.821 1.00 1.66 H new ATOM 0 HE2 MET A 85 88.427 -4.998 5.786 1.00 1.66 H new ATOM 0 HE3 MET A 85 87.882 -5.229 7.465 1.00 1.66 H new ATOM 878 N THR A 86 86.910 -10.530 4.440 1.00 0.51 N ATOM 879 CA THR A 86 86.347 -11.894 4.657 1.00 0.49 C ATOM 880 C THR A 86 85.466 -11.911 5.910 1.00 0.51 C ATOM 881 O THR A 86 85.733 -11.227 6.878 1.00 0.55 O ATOM 882 CB THR A 86 87.564 -12.801 4.844 1.00 0.53 C ATOM 883 OG1 THR A 86 88.655 -12.034 5.335 1.00 1.23 O ATOM 884 CG2 THR A 86 87.941 -13.430 3.503 1.00 1.27 C ATOM 0 H THR A 86 87.496 -10.179 5.197 1.00 0.51 H new ATOM 0 HA THR A 86 85.721 -12.219 3.826 1.00 0.49 H new ATOM 0 HB THR A 86 87.325 -13.589 5.559 1.00 0.53 H new ATOM 0 HG1 THR A 86 89.435 -12.615 5.457 1.00 1.23 H new ATOM 0 HG21 THR A 86 88.808 -14.077 3.635 1.00 1.27 H new ATOM 0 HG22 THR A 86 87.103 -14.019 3.129 1.00 1.27 H new ATOM 0 HG23 THR A 86 88.180 -12.644 2.787 1.00 1.27 H new ATOM 892 N ARG A 87 84.417 -12.687 5.899 1.00 0.58 N ATOM 893 CA ARG A 87 83.519 -12.747 7.089 1.00 0.70 C ATOM 894 C ARG A 87 84.278 -13.298 8.299 1.00 0.78 C ATOM 895 O ARG A 87 84.068 -14.419 8.718 1.00 1.57 O ATOM 896 CB ARG A 87 82.388 -13.693 6.689 1.00 0.80 C ATOM 897 CG ARG A 87 81.051 -12.953 6.774 1.00 0.95 C ATOM 898 CD ARG A 87 79.913 -13.967 6.908 1.00 1.38 C ATOM 899 NE ARG A 87 79.783 -14.204 8.373 1.00 1.69 N ATOM 900 CZ ARG A 87 79.458 -15.388 8.815 1.00 2.13 C ATOM 901 NH1 ARG A 87 78.599 -16.117 8.157 1.00 2.75 N ATOM 902 NH2 ARG A 87 79.992 -15.843 9.916 1.00 2.57 N ATOM 0 H ARG A 87 84.142 -13.282 5.118 1.00 0.58 H new ATOM 0 HA ARG A 87 83.144 -11.763 7.371 1.00 0.70 H new ATOM 0 HB2 ARG A 87 82.548 -14.061 5.676 1.00 0.80 H new ATOM 0 HB3 ARG A 87 82.377 -14.563 7.346 1.00 0.80 H new ATOM 0 HG2 ARG A 87 81.052 -12.276 7.629 1.00 0.95 H new ATOM 0 HG3 ARG A 87 80.904 -12.342 5.883 1.00 0.95 H new ATOM 0 HD2 ARG A 87 78.986 -13.579 6.487 1.00 1.38 H new ATOM 0 HD3 ARG A 87 80.142 -14.891 6.377 1.00 1.38 H new ATOM 0 HE ARG A 87 79.948 -13.441 9.030 1.00 1.69 H new ATOM 0 HH11 ARG A 87 78.181 -15.761 7.297 1.00 2.75 H new ATOM 0 HH12 ARG A 87 78.345 -17.042 8.503 1.00 2.75 H new ATOM 0 HH21 ARG A 87 80.663 -15.273 10.431 1.00 2.57 H new ATOM 0 HH22 ARG A 87 79.738 -16.768 10.261 1.00 2.57 H new ATOM 916 N GLY A 88 85.155 -12.516 8.864 1.00 1.11 N ATOM 917 CA GLY A 88 85.926 -12.989 10.048 1.00 1.17 C ATOM 918 C GLY A 88 86.200 -11.803 10.973 1.00 1.06 C ATOM 919 O GLY A 88 85.917 -11.845 12.155 1.00 1.24 O ATOM 0 H GLY A 88 85.372 -11.568 8.556 1.00 1.11 H new ATOM 0 HA2 GLY A 88 85.365 -13.758 10.579 1.00 1.17 H new ATOM 0 HA3 GLY A 88 86.865 -13.442 9.729 1.00 1.17 H new ATOM 923 N SER A 89 86.743 -10.742 10.443 1.00 0.88 N ATOM 924 CA SER A 89 87.032 -9.548 11.287 1.00 0.88 C ATOM 925 C SER A 89 85.978 -8.465 11.040 1.00 0.91 C ATOM 926 O SER A 89 86.002 -7.412 11.645 1.00 1.64 O ATOM 927 CB SER A 89 88.410 -9.068 10.833 1.00 1.04 C ATOM 928 OG SER A 89 89.352 -9.281 11.874 1.00 1.53 O ATOM 0 H SER A 89 87.000 -10.650 9.460 1.00 0.88 H new ATOM 0 HA SER A 89 87.012 -9.777 12.352 1.00 0.88 H new ATOM 0 HB2 SER A 89 88.716 -9.605 9.935 1.00 1.04 H new ATOM 0 HB3 SER A 89 88.371 -8.010 10.574 1.00 1.04 H new ATOM 0 HG SER A 89 90.236 -8.975 11.583 1.00 1.53 H new ATOM 934 N MET A 90 85.054 -8.716 10.153 1.00 0.68 N ATOM 935 CA MET A 90 84.000 -7.704 9.863 1.00 0.75 C ATOM 936 C MET A 90 83.094 -7.514 11.082 1.00 0.94 C ATOM 937 O MET A 90 83.458 -7.839 12.195 1.00 1.86 O ATOM 938 CB MET A 90 83.205 -8.287 8.694 1.00 0.83 C ATOM 939 CG MET A 90 83.241 -7.315 7.514 1.00 1.21 C ATOM 940 SD MET A 90 81.821 -7.626 6.436 1.00 1.37 S ATOM 941 CE MET A 90 82.683 -7.418 4.860 1.00 0.90 C ATOM 0 H MET A 90 84.984 -9.580 9.616 1.00 0.68 H new ATOM 0 HA MET A 90 84.422 -6.727 9.627 1.00 0.75 H new ATOM 0 HB2 MET A 90 83.625 -9.249 8.399 1.00 0.83 H new ATOM 0 HB3 MET A 90 82.174 -8.469 8.997 1.00 0.83 H new ATOM 0 HG2 MET A 90 83.219 -6.287 7.875 1.00 1.21 H new ATOM 0 HG3 MET A 90 84.169 -7.438 6.956 1.00 1.21 H new ATOM 0 HE1 MET A 90 81.966 -7.145 4.086 1.00 0.90 H new ATOM 0 HE2 MET A 90 83.431 -6.631 4.956 1.00 0.90 H new ATOM 0 HE3 MET A 90 83.173 -8.353 4.587 1.00 0.90 H new ATOM 951 N VAL A 91 81.916 -6.991 10.879 1.00 0.85 N ATOM 952 CA VAL A 91 80.984 -6.780 12.026 1.00 0.92 C ATOM 953 C VAL A 91 79.753 -7.680 11.862 1.00 0.86 C ATOM 954 O VAL A 91 79.746 -8.594 11.062 1.00 1.45 O ATOM 955 CB VAL A 91 80.586 -5.299 11.965 1.00 1.15 C ATOM 956 CG1 VAL A 91 80.118 -4.839 13.348 1.00 1.61 C ATOM 957 CG2 VAL A 91 81.786 -4.449 11.534 1.00 1.80 C ATOM 0 H VAL A 91 81.557 -6.700 9.969 1.00 0.85 H new ATOM 0 HA VAL A 91 81.442 -7.028 12.984 1.00 0.92 H new ATOM 0 HB VAL A 91 79.780 -5.179 11.241 1.00 1.15 H new ATOM 0 HG11 VAL A 91 79.835 -3.787 13.305 1.00 1.61 H new ATOM 0 HG12 VAL A 91 79.258 -5.434 13.658 1.00 1.61 H new ATOM 0 HG13 VAL A 91 80.927 -4.968 14.067 1.00 1.61 H new ATOM 0 HG21 VAL A 91 81.493 -3.400 11.494 1.00 1.80 H new ATOM 0 HG22 VAL A 91 82.596 -4.572 12.253 1.00 1.80 H new ATOM 0 HG23 VAL A 91 82.124 -4.769 10.548 1.00 1.80 H new ATOM 967 N GLY A 92 78.713 -7.434 12.612 1.00 0.83 N ATOM 968 CA GLY A 92 77.494 -8.282 12.493 1.00 0.83 C ATOM 969 C GLY A 92 76.629 -7.783 11.330 1.00 0.70 C ATOM 970 O GLY A 92 76.565 -8.415 10.294 1.00 0.71 O ATOM 0 H GLY A 92 78.655 -6.684 13.301 1.00 0.83 H new ATOM 0 HA2 GLY A 92 77.777 -9.322 12.328 1.00 0.83 H new ATOM 0 HA3 GLY A 92 76.925 -8.250 13.422 1.00 0.83 H new ATOM 974 N PRO A 93 75.983 -6.661 11.538 1.00 0.68 N ATOM 975 CA PRO A 93 75.107 -6.077 10.494 1.00 0.68 C ATOM 976 C PRO A 93 75.913 -5.732 9.237 1.00 0.59 C ATOM 977 O PRO A 93 75.528 -6.060 8.132 1.00 0.61 O ATOM 978 CB PRO A 93 74.577 -4.809 11.170 1.00 0.83 C ATOM 979 CG PRO A 93 75.176 -4.715 12.588 1.00 0.89 C ATOM 980 CD PRO A 93 76.092 -5.923 12.820 1.00 0.79 C ATOM 0 HA PRO A 93 74.318 -6.752 10.161 1.00 0.68 H new ATOM 0 HB2 PRO A 93 74.848 -3.929 10.587 1.00 0.83 H new ATOM 0 HB3 PRO A 93 73.489 -4.835 11.221 1.00 0.83 H new ATOM 0 HG2 PRO A 93 75.739 -3.788 12.699 1.00 0.89 H new ATOM 0 HG3 PRO A 93 74.381 -4.696 13.333 1.00 0.89 H new ATOM 0 HD2 PRO A 93 77.118 -5.620 13.027 1.00 0.79 H new ATOM 0 HD3 PRO A 93 75.761 -6.527 13.665 1.00 0.79 H new ATOM 988 N PHE A 94 77.026 -5.069 9.396 1.00 0.57 N ATOM 989 CA PHE A 94 77.853 -4.699 8.211 1.00 0.58 C ATOM 990 C PHE A 94 77.926 -5.867 7.221 1.00 0.56 C ATOM 991 O PHE A 94 77.878 -5.679 6.022 1.00 0.66 O ATOM 992 CB PHE A 94 79.239 -4.393 8.778 1.00 0.67 C ATOM 993 CG PHE A 94 79.968 -3.453 7.848 1.00 0.71 C ATOM 994 CD1 PHE A 94 80.590 -3.952 6.697 1.00 1.42 C ATOM 995 CD2 PHE A 94 80.022 -2.084 8.135 1.00 1.45 C ATOM 996 CE1 PHE A 94 81.267 -3.082 5.834 1.00 1.58 C ATOM 997 CE2 PHE A 94 80.698 -1.214 7.272 1.00 1.56 C ATOM 998 CZ PHE A 94 81.321 -1.713 6.122 1.00 1.14 C ATOM 0 H PHE A 94 77.399 -4.767 10.296 1.00 0.57 H new ATOM 0 HA PHE A 94 77.435 -3.852 7.668 1.00 0.58 H new ATOM 0 HB2 PHE A 94 79.148 -3.945 9.767 1.00 0.67 H new ATOM 0 HB3 PHE A 94 79.806 -5.316 8.897 1.00 0.67 H new ATOM 0 HD1 PHE A 94 80.547 -5.008 6.475 1.00 1.42 H new ATOM 0 HD2 PHE A 94 79.542 -1.699 9.023 1.00 1.45 H new ATOM 0 HE1 PHE A 94 81.747 -3.467 4.947 1.00 1.58 H new ATOM 0 HE2 PHE A 94 80.739 -0.158 7.493 1.00 1.56 H new ATOM 0 HZ PHE A 94 81.844 -1.042 5.457 1.00 1.14 H new ATOM 1008 N GLN A 95 78.047 -7.069 7.714 1.00 0.55 N ATOM 1009 CA GLN A 95 78.129 -8.246 6.800 1.00 0.62 C ATOM 1010 C GLN A 95 76.731 -8.800 6.507 1.00 0.64 C ATOM 1011 O GLN A 95 76.387 -9.072 5.375 1.00 0.74 O ATOM 1012 CB GLN A 95 78.965 -9.276 7.560 1.00 0.71 C ATOM 1013 CG GLN A 95 78.871 -10.631 6.858 1.00 1.22 C ATOM 1014 CD GLN A 95 78.353 -11.681 7.842 1.00 1.59 C ATOM 1015 OE1 GLN A 95 78.967 -11.932 8.860 1.00 2.15 O ATOM 1016 NE2 GLN A 95 77.240 -12.310 7.580 1.00 2.05 N ATOM 0 H GLN A 95 78.093 -7.288 8.709 1.00 0.55 H new ATOM 0 HA GLN A 95 78.570 -7.987 5.837 1.00 0.62 H new ATOM 0 HB2 GLN A 95 80.004 -8.951 7.608 1.00 0.71 H new ATOM 0 HB3 GLN A 95 78.610 -9.362 8.587 1.00 0.71 H new ATOM 0 HG2 GLN A 95 78.204 -10.562 5.999 1.00 1.22 H new ATOM 0 HG3 GLN A 95 79.850 -10.924 6.478 1.00 1.22 H new ATOM 0 HE21 GLN A 95 76.724 -12.100 6.726 1.00 2.05 H new ATOM 0 HE22 GLN A 95 76.886 -13.012 8.230 1.00 2.05 H new ATOM 1025 N GLU A 96 75.928 -8.975 7.522 1.00 0.62 N ATOM 1026 CA GLU A 96 74.553 -9.519 7.310 1.00 0.72 C ATOM 1027 C GLU A 96 73.921 -8.929 6.045 1.00 0.63 C ATOM 1028 O GLU A 96 73.108 -9.558 5.397 1.00 0.75 O ATOM 1029 CB GLU A 96 73.766 -9.092 8.549 1.00 0.82 C ATOM 1030 CG GLU A 96 73.676 -10.265 9.526 1.00 1.20 C ATOM 1031 CD GLU A 96 72.216 -10.478 9.933 1.00 1.83 C ATOM 1032 OE1 GLU A 96 71.350 -10.228 9.111 1.00 2.61 O ATOM 1033 OE2 GLU A 96 71.990 -10.888 11.059 1.00 2.09 O ATOM 0 H GLU A 96 76.165 -8.764 8.492 1.00 0.62 H new ATOM 0 HA GLU A 96 74.560 -10.601 7.177 1.00 0.72 H new ATOM 0 HB2 GLU A 96 74.254 -8.243 9.028 1.00 0.82 H new ATOM 0 HB3 GLU A 96 72.766 -8.766 8.263 1.00 0.82 H new ATOM 0 HG2 GLU A 96 74.071 -11.169 9.063 1.00 1.20 H new ATOM 0 HG3 GLU A 96 74.285 -10.066 10.408 1.00 1.20 H new ATOM 1040 N ALA A 97 74.279 -7.724 5.692 1.00 0.56 N ATOM 1041 CA ALA A 97 73.687 -7.099 4.473 1.00 0.54 C ATOM 1042 C ALA A 97 74.526 -7.424 3.234 1.00 0.54 C ATOM 1043 O ALA A 97 74.206 -8.317 2.474 1.00 0.81 O ATOM 1044 CB ALA A 97 73.710 -5.596 4.751 1.00 0.59 C ATOM 0 H ALA A 97 74.954 -7.146 6.193 1.00 0.56 H new ATOM 0 HA ALA A 97 72.681 -7.468 4.274 1.00 0.54 H new ATOM 0 HB1 ALA A 97 73.290 -5.062 3.899 1.00 0.59 H new ATOM 0 HB2 ALA A 97 73.119 -5.382 5.641 1.00 0.59 H new ATOM 0 HB3 ALA A 97 74.738 -5.271 4.911 1.00 0.59 H new ATOM 1050 N ALA A 98 75.589 -6.696 3.026 1.00 0.47 N ATOM 1051 CA ALA A 98 76.457 -6.940 1.833 1.00 0.57 C ATOM 1052 C ALA A 98 76.572 -8.439 1.537 1.00 0.67 C ATOM 1053 O ALA A 98 76.089 -8.920 0.531 1.00 0.83 O ATOM 1054 CB ALA A 98 77.820 -6.365 2.216 1.00 0.73 C ATOM 0 H ALA A 98 75.897 -5.937 3.634 1.00 0.47 H new ATOM 0 HA ALA A 98 76.050 -6.478 0.933 1.00 0.57 H new ATOM 0 HB1 ALA A 98 78.518 -6.504 1.391 1.00 0.73 H new ATOM 0 HB2 ALA A 98 77.719 -5.301 2.430 1.00 0.73 H new ATOM 0 HB3 ALA A 98 78.196 -6.879 3.100 1.00 0.73 H new ATOM 1060 N PHE A 99 77.213 -9.178 2.400 1.00 0.73 N ATOM 1061 CA PHE A 99 77.364 -10.643 2.163 1.00 0.93 C ATOM 1062 C PHE A 99 76.057 -11.238 1.637 1.00 1.00 C ATOM 1063 O PHE A 99 75.982 -11.711 0.520 1.00 1.32 O ATOM 1064 CB PHE A 99 77.706 -11.232 3.531 1.00 1.06 C ATOM 1065 CG PHE A 99 79.179 -11.558 3.583 1.00 0.88 C ATOM 1066 CD1 PHE A 99 80.126 -10.525 3.574 1.00 1.31 C ATOM 1067 CD2 PHE A 99 79.599 -12.892 3.642 1.00 1.64 C ATOM 1068 CE1 PHE A 99 81.492 -10.828 3.624 1.00 1.35 C ATOM 1069 CE2 PHE A 99 80.965 -13.194 3.691 1.00 1.81 C ATOM 1070 CZ PHE A 99 81.911 -12.162 3.683 1.00 1.21 C ATOM 0 H PHE A 99 77.639 -8.831 3.259 1.00 0.73 H new ATOM 0 HA PHE A 99 78.131 -10.860 1.419 1.00 0.93 H new ATOM 0 HB2 PHE A 99 77.451 -10.523 4.318 1.00 1.06 H new ATOM 0 HB3 PHE A 99 77.117 -12.131 3.709 1.00 1.06 H new ATOM 0 HD1 PHE A 99 79.802 -9.496 3.529 1.00 1.31 H new ATOM 0 HD2 PHE A 99 78.869 -13.688 3.650 1.00 1.64 H new ATOM 0 HE1 PHE A 99 82.222 -10.032 3.617 1.00 1.35 H new ATOM 0 HE2 PHE A 99 81.289 -14.223 3.735 1.00 1.81 H new ATOM 0 HZ PHE A 99 82.965 -12.395 3.722 1.00 1.21 H new ATOM 1080 N ALA A 100 75.030 -11.221 2.435 1.00 0.92 N ATOM 1081 CA ALA A 100 73.726 -11.788 1.987 1.00 1.08 C ATOM 1082 C ALA A 100 73.175 -10.984 0.806 1.00 1.06 C ATOM 1083 O ALA A 100 72.296 -11.430 0.096 1.00 1.29 O ATOM 1084 CB ALA A 100 72.802 -11.665 3.198 1.00 1.13 C ATOM 0 H ALA A 100 75.035 -10.839 3.381 1.00 0.92 H new ATOM 0 HA ALA A 100 73.820 -12.820 1.650 1.00 1.08 H new ATOM 0 HB1 ALA A 100 71.819 -12.063 2.947 1.00 1.13 H new ATOM 0 HB2 ALA A 100 73.219 -12.228 4.033 1.00 1.13 H new ATOM 0 HB3 ALA A 100 72.708 -10.616 3.479 1.00 1.13 H new ATOM 1090 N LEU A 101 73.685 -9.803 0.590 1.00 0.95 N ATOM 1091 CA LEU A 101 73.188 -8.975 -0.546 1.00 1.00 C ATOM 1092 C LEU A 101 74.118 -9.122 -1.757 1.00 0.88 C ATOM 1093 O LEU A 101 75.277 -9.452 -1.608 1.00 0.88 O ATOM 1094 CB LEU A 101 73.205 -7.538 -0.026 1.00 1.09 C ATOM 1095 CG LEU A 101 71.943 -7.285 0.802 1.00 1.34 C ATOM 1096 CD1 LEU A 101 72.086 -5.963 1.558 1.00 1.77 C ATOM 1097 CD2 LEU A 101 70.730 -7.213 -0.127 1.00 1.72 C ATOM 0 H LEU A 101 74.423 -9.376 1.150 1.00 0.95 H new ATOM 0 HA LEU A 101 72.193 -9.277 -0.873 1.00 1.00 H new ATOM 0 HB2 LEU A 101 74.093 -7.370 0.583 1.00 1.09 H new ATOM 0 HB3 LEU A 101 73.253 -6.838 -0.860 1.00 1.09 H new ATOM 0 HG LEU A 101 71.807 -8.098 1.515 1.00 1.34 H new ATOM 0 HD11 LEU A 101 71.187 -5.782 2.148 1.00 1.77 H new ATOM 0 HD12 LEU A 101 72.950 -6.014 2.220 1.00 1.77 H new ATOM 0 HD13 LEU A 101 72.222 -5.149 0.846 1.00 1.77 H new ATOM 0 HD21 LEU A 101 69.831 -7.033 0.462 1.00 1.72 H new ATOM 0 HD22 LEU A 101 70.866 -6.400 -0.840 1.00 1.72 H new ATOM 0 HD23 LEU A 101 70.628 -8.155 -0.666 1.00 1.72 H new ATOM 1109 N PRO A 102 73.576 -8.875 -2.925 1.00 0.88 N ATOM 1110 CA PRO A 102 74.366 -8.986 -4.174 1.00 0.82 C ATOM 1111 C PRO A 102 75.526 -7.985 -4.177 1.00 0.69 C ATOM 1112 O PRO A 102 75.437 -6.913 -3.613 1.00 0.80 O ATOM 1113 CB PRO A 102 73.340 -8.633 -5.254 1.00 0.99 C ATOM 1114 CG PRO A 102 71.989 -8.326 -4.575 1.00 1.14 C ATOM 1115 CD PRO A 102 72.153 -8.476 -3.058 1.00 1.04 C ATOM 0 HA PRO A 102 74.822 -9.966 -4.312 1.00 0.82 H new ATOM 0 HB2 PRO A 102 73.678 -7.771 -5.828 1.00 0.99 H new ATOM 0 HB3 PRO A 102 73.231 -9.460 -5.955 1.00 0.99 H new ATOM 0 HG2 PRO A 102 71.664 -7.315 -4.821 1.00 1.14 H new ATOM 0 HG3 PRO A 102 71.220 -9.006 -4.941 1.00 1.14 H new ATOM 0 HD2 PRO A 102 71.942 -7.544 -2.533 1.00 1.04 H new ATOM 0 HD3 PRO A 102 71.480 -9.231 -2.650 1.00 1.04 H new ATOM 1123 N VAL A 103 76.611 -8.328 -4.817 1.00 0.66 N ATOM 1124 CA VAL A 103 77.775 -7.397 -4.869 1.00 0.67 C ATOM 1125 C VAL A 103 77.305 -6.009 -5.320 1.00 0.81 C ATOM 1126 O VAL A 103 76.159 -5.825 -5.676 1.00 1.17 O ATOM 1127 CB VAL A 103 78.722 -8.024 -5.902 1.00 0.76 C ATOM 1128 CG1 VAL A 103 79.678 -6.964 -6.456 1.00 1.48 C ATOM 1129 CG2 VAL A 103 79.535 -9.137 -5.237 1.00 1.05 C ATOM 0 H VAL A 103 76.742 -9.213 -5.306 1.00 0.66 H new ATOM 0 HA VAL A 103 78.262 -7.265 -3.903 1.00 0.67 H new ATOM 0 HB VAL A 103 78.130 -8.434 -6.721 1.00 0.76 H new ATOM 0 HG11 VAL A 103 80.344 -7.422 -7.187 1.00 1.48 H new ATOM 0 HG12 VAL A 103 79.104 -6.171 -6.935 1.00 1.48 H new ATOM 0 HG13 VAL A 103 80.268 -6.544 -5.641 1.00 1.48 H new ATOM 0 HG21 VAL A 103 80.208 -9.583 -5.969 1.00 1.05 H new ATOM 0 HG22 VAL A 103 80.118 -8.721 -4.415 1.00 1.05 H new ATOM 0 HG23 VAL A 103 78.859 -9.901 -4.852 1.00 1.05 H new ATOM 1139 N SER A 104 78.179 -5.033 -5.307 1.00 0.77 N ATOM 1140 CA SER A 104 77.789 -3.652 -5.738 1.00 1.03 C ATOM 1141 C SER A 104 76.909 -2.974 -4.684 1.00 0.95 C ATOM 1142 O SER A 104 76.416 -3.602 -3.768 1.00 1.93 O ATOM 1143 CB SER A 104 77.008 -3.828 -7.044 1.00 1.49 C ATOM 1144 OG SER A 104 77.637 -4.817 -7.845 1.00 2.44 O ATOM 0 H SER A 104 79.151 -5.133 -5.015 1.00 0.77 H new ATOM 0 HA SER A 104 78.667 -3.019 -5.869 1.00 1.03 H new ATOM 0 HB2 SER A 104 75.980 -4.120 -6.828 1.00 1.49 H new ATOM 0 HB3 SER A 104 76.964 -2.882 -7.584 1.00 1.49 H new ATOM 0 HG SER A 104 77.135 -4.930 -8.679 1.00 2.44 H new ATOM 1150 N GLY A 105 76.712 -1.690 -4.818 1.00 0.60 N ATOM 1151 CA GLY A 105 75.867 -0.944 -3.842 1.00 0.81 C ATOM 1152 C GLY A 105 75.743 0.511 -4.304 1.00 0.80 C ATOM 1153 O GLY A 105 74.982 0.826 -5.197 1.00 1.05 O ATOM 0 H GLY A 105 77.104 -1.121 -5.569 1.00 0.60 H new ATOM 0 HA2 GLY A 105 74.881 -1.402 -3.770 1.00 0.81 H new ATOM 0 HA3 GLY A 105 76.312 -0.987 -2.848 1.00 0.81 H new ATOM 1157 N MET A 106 76.495 1.399 -3.712 1.00 0.68 N ATOM 1158 CA MET A 106 76.433 2.832 -4.125 1.00 0.87 C ATOM 1159 C MET A 106 74.994 3.360 -4.049 1.00 1.07 C ATOM 1160 O MET A 106 74.537 3.784 -3.006 1.00 1.56 O ATOM 1161 CB MET A 106 76.939 2.845 -5.568 1.00 0.94 C ATOM 1162 CG MET A 106 76.855 4.267 -6.125 1.00 1.33 C ATOM 1163 SD MET A 106 77.514 4.295 -7.810 1.00 1.62 S ATOM 1164 CE MET A 106 76.013 3.733 -8.651 1.00 1.64 C ATOM 0 H MET A 106 77.151 1.194 -2.958 1.00 0.68 H new ATOM 0 HA MET A 106 77.029 3.472 -3.474 1.00 0.87 H new ATOM 0 HB2 MET A 106 77.968 2.488 -5.607 1.00 0.94 H new ATOM 0 HB3 MET A 106 76.343 2.168 -6.180 1.00 0.94 H new ATOM 0 HG2 MET A 106 75.820 4.610 -6.122 1.00 1.33 H new ATOM 0 HG3 MET A 106 77.419 4.951 -5.491 1.00 1.33 H new ATOM 0 HE1 MET A 106 75.933 4.226 -9.620 1.00 1.64 H new ATOM 0 HE2 MET A 106 76.059 2.654 -8.795 1.00 1.64 H new ATOM 0 HE3 MET A 106 75.142 3.981 -8.045 1.00 1.64 H new ATOM 1174 N ASP A 107 74.278 3.348 -5.144 1.00 1.30 N ATOM 1175 CA ASP A 107 72.875 3.860 -5.123 1.00 1.56 C ATOM 1176 C ASP A 107 72.089 3.318 -6.320 1.00 1.17 C ATOM 1177 O ASP A 107 71.408 4.050 -7.010 1.00 1.40 O ATOM 1178 CB ASP A 107 73.008 5.380 -5.214 1.00 2.17 C ATOM 1179 CG ASP A 107 71.619 6.006 -5.356 1.00 2.43 C ATOM 1180 OD1 ASP A 107 70.708 5.535 -4.694 1.00 2.89 O ATOM 1181 OD2 ASP A 107 71.489 6.945 -6.124 1.00 2.89 O ATOM 0 H ASP A 107 74.603 3.007 -6.049 1.00 1.30 H new ATOM 0 HA ASP A 107 72.338 3.548 -4.227 1.00 1.56 H new ATOM 0 HB2 ASP A 107 73.503 5.766 -4.323 1.00 2.17 H new ATOM 0 HB3 ASP A 107 73.630 5.651 -6.067 1.00 2.17 H new ATOM 1186 N LYS A 108 72.174 2.042 -6.569 1.00 1.26 N ATOM 1187 CA LYS A 108 71.431 1.455 -7.714 1.00 1.47 C ATOM 1188 C LYS A 108 71.605 -0.070 -7.730 1.00 1.29 C ATOM 1189 O LYS A 108 70.634 -0.793 -7.628 1.00 1.69 O ATOM 1190 CB LYS A 108 72.041 2.094 -8.955 1.00 2.03 C ATOM 1191 CG LYS A 108 70.987 2.957 -9.653 1.00 2.65 C ATOM 1192 CD LYS A 108 70.954 2.622 -11.145 1.00 3.18 C ATOM 1193 CE LYS A 108 69.535 2.827 -11.680 1.00 3.84 C ATOM 1194 NZ LYS A 108 69.351 1.759 -12.705 1.00 4.27 N ATOM 0 H LYS A 108 72.728 1.379 -6.026 1.00 1.26 H new ATOM 0 HA LYS A 108 70.359 1.644 -7.656 1.00 1.47 H new ATOM 0 HB2 LYS A 108 72.901 2.704 -8.678 1.00 2.03 H new ATOM 0 HB3 LYS A 108 72.403 1.322 -9.634 1.00 2.03 H new ATOM 0 HG2 LYS A 108 70.007 2.782 -9.209 1.00 2.65 H new ATOM 0 HG3 LYS A 108 71.216 4.013 -9.512 1.00 2.65 H new ATOM 0 HD2 LYS A 108 71.654 3.257 -11.687 1.00 3.18 H new ATOM 0 HD3 LYS A 108 71.269 1.591 -11.305 1.00 3.18 H new ATOM 0 HE2 LYS A 108 68.796 2.741 -10.883 1.00 3.84 H new ATOM 0 HE3 LYS A 108 69.417 3.818 -12.117 1.00 3.84 H new ATOM 0 HZ1 LYS A 108 68.399 1.834 -13.118 1.00 4.27 H new ATOM 0 HZ2 LYS A 108 70.063 1.871 -13.454 1.00 4.27 H new ATOM 0 HZ3 LYS A 108 69.462 0.826 -12.258 1.00 4.27 H new ATOM 1208 N PRO A 109 72.834 -0.523 -7.843 1.00 1.39 N ATOM 1209 CA PRO A 109 73.097 -1.981 -7.851 1.00 1.79 C ATOM 1210 C PRO A 109 72.546 -2.618 -6.573 1.00 1.25 C ATOM 1211 O PRO A 109 71.634 -2.099 -5.961 1.00 1.35 O ATOM 1212 CB PRO A 109 74.626 -2.050 -7.888 1.00 2.54 C ATOM 1213 CG PRO A 109 75.185 -0.614 -7.901 1.00 2.60 C ATOM 1214 CD PRO A 109 74.013 0.373 -7.966 1.00 1.83 C ATOM 0 HA PRO A 109 72.629 -2.512 -8.680 1.00 1.79 H new ATOM 0 HB2 PRO A 109 75.001 -2.594 -7.021 1.00 2.54 H new ATOM 0 HB3 PRO A 109 74.958 -2.593 -8.773 1.00 2.54 H new ATOM 0 HG2 PRO A 109 75.781 -0.433 -7.007 1.00 2.60 H new ATOM 0 HG3 PRO A 109 75.844 -0.474 -8.757 1.00 2.60 H new ATOM 0 HD2 PRO A 109 74.053 1.105 -7.159 1.00 1.83 H new ATOM 0 HD3 PRO A 109 74.003 0.931 -8.902 1.00 1.83 H new ATOM 1222 N VAL A 110 73.097 -3.733 -6.164 1.00 1.17 N ATOM 1223 CA VAL A 110 72.609 -4.404 -4.920 1.00 0.90 C ATOM 1224 C VAL A 110 71.079 -4.286 -4.822 1.00 0.91 C ATOM 1225 O VAL A 110 70.407 -4.082 -5.813 1.00 1.33 O ATOM 1226 CB VAL A 110 73.319 -3.662 -3.780 1.00 1.27 C ATOM 1227 CG1 VAL A 110 72.606 -2.340 -3.486 1.00 2.33 C ATOM 1228 CG2 VAL A 110 73.330 -4.534 -2.522 1.00 1.52 C ATOM 0 H VAL A 110 73.865 -4.208 -6.638 1.00 1.17 H new ATOM 0 HA VAL A 110 72.827 -5.472 -4.893 1.00 0.90 H new ATOM 0 HB VAL A 110 74.345 -3.451 -4.082 1.00 1.27 H new ATOM 0 HG11 VAL A 110 73.119 -1.822 -2.675 1.00 2.33 H new ATOM 0 HG12 VAL A 110 72.616 -1.715 -4.379 1.00 2.33 H new ATOM 0 HG13 VAL A 110 71.575 -2.540 -3.194 1.00 2.33 H new ATOM 0 HG21 VAL A 110 73.835 -4.003 -1.715 1.00 1.52 H new ATOM 0 HG22 VAL A 110 72.305 -4.756 -2.224 1.00 1.52 H new ATOM 0 HG23 VAL A 110 73.857 -5.465 -2.729 1.00 1.52 H new ATOM 1238 N PHE A 111 70.515 -4.420 -3.649 1.00 0.90 N ATOM 1239 CA PHE A 111 69.030 -4.319 -3.531 1.00 0.95 C ATOM 1240 C PHE A 111 68.629 -3.339 -2.425 1.00 0.78 C ATOM 1241 O PHE A 111 68.004 -2.328 -2.675 1.00 0.89 O ATOM 1242 CB PHE A 111 68.567 -5.733 -3.182 1.00 1.11 C ATOM 1243 CG PHE A 111 68.149 -6.450 -4.442 1.00 1.22 C ATOM 1244 CD1 PHE A 111 67.170 -5.892 -5.273 1.00 1.73 C ATOM 1245 CD2 PHE A 111 68.739 -7.674 -4.781 1.00 1.76 C ATOM 1246 CE1 PHE A 111 66.781 -6.557 -6.442 1.00 1.87 C ATOM 1247 CE2 PHE A 111 68.351 -8.339 -5.949 1.00 1.94 C ATOM 1248 CZ PHE A 111 67.372 -7.780 -6.780 1.00 1.64 C ATOM 0 H PHE A 111 71.013 -4.593 -2.776 1.00 0.90 H new ATOM 0 HA PHE A 111 68.577 -3.947 -4.450 1.00 0.95 H new ATOM 0 HB2 PHE A 111 69.371 -6.279 -2.690 1.00 1.11 H new ATOM 0 HB3 PHE A 111 67.734 -5.692 -2.481 1.00 1.11 H new ATOM 0 HD1 PHE A 111 66.715 -4.948 -5.012 1.00 1.73 H new ATOM 0 HD2 PHE A 111 69.494 -8.105 -4.140 1.00 1.76 H new ATOM 0 HE1 PHE A 111 66.025 -6.127 -7.083 1.00 1.87 H new ATOM 0 HE2 PHE A 111 68.806 -9.283 -6.210 1.00 1.94 H new ATOM 0 HZ PHE A 111 67.073 -8.293 -7.682 1.00 1.64 H new ATOM 1258 N THR A 112 68.969 -3.641 -1.206 1.00 0.68 N ATOM 1259 CA THR A 112 68.592 -2.738 -0.077 1.00 0.60 C ATOM 1260 C THR A 112 69.078 -1.312 -0.332 1.00 0.57 C ATOM 1261 O THR A 112 69.424 -0.945 -1.438 1.00 0.75 O ATOM 1262 CB THR A 112 69.290 -3.317 1.153 1.00 0.62 C ATOM 1263 OG1 THR A 112 68.768 -2.701 2.323 1.00 0.97 O ATOM 1264 CG2 THR A 112 70.794 -3.053 1.063 1.00 0.76 C ATOM 0 H THR A 112 69.492 -4.474 -0.938 1.00 0.68 H new ATOM 0 HA THR A 112 67.510 -2.685 0.047 1.00 0.60 H new ATOM 0 HB THR A 112 69.116 -4.392 1.197 1.00 0.62 H new ATOM 0 HG1 THR A 112 69.213 -3.072 3.114 1.00 0.97 H new ATOM 0 HG21 THR A 112 71.289 -3.467 1.941 1.00 0.76 H new ATOM 0 HG22 THR A 112 71.193 -3.525 0.165 1.00 0.76 H new ATOM 0 HG23 THR A 112 70.973 -1.979 1.018 1.00 0.76 H new ATOM 1272 N ASP A 113 69.110 -0.508 0.695 1.00 0.49 N ATOM 1273 CA ASP A 113 69.578 0.898 0.532 1.00 0.57 C ATOM 1274 C ASP A 113 71.055 0.997 0.928 1.00 0.53 C ATOM 1275 O ASP A 113 71.492 0.320 1.838 1.00 0.54 O ATOM 1276 CB ASP A 113 68.710 1.723 1.483 1.00 0.65 C ATOM 1277 CG ASP A 113 67.240 1.579 1.085 1.00 1.54 C ATOM 1278 OD1 ASP A 113 66.943 1.760 -0.085 1.00 2.10 O ATOM 1279 OD2 ASP A 113 66.436 1.290 1.956 1.00 2.31 O ATOM 0 H ASP A 113 68.832 -0.764 1.642 1.00 0.49 H new ATOM 0 HA ASP A 113 69.492 1.250 -0.496 1.00 0.57 H new ATOM 0 HB2 ASP A 113 68.855 1.386 2.509 1.00 0.65 H new ATOM 0 HB3 ASP A 113 69.007 2.771 1.447 1.00 0.65 H new ATOM 1284 N PRO A 114 71.787 1.825 0.227 1.00 0.55 N ATOM 1285 CA PRO A 114 73.229 1.986 0.513 1.00 0.57 C ATOM 1286 C PRO A 114 73.484 2.463 1.954 1.00 0.53 C ATOM 1287 O PRO A 114 74.227 1.830 2.673 1.00 0.53 O ATOM 1288 CB PRO A 114 73.673 3.010 -0.535 1.00 0.65 C ATOM 1289 CG PRO A 114 72.453 3.392 -1.399 1.00 0.67 C ATOM 1290 CD PRO A 114 71.223 2.634 -0.881 1.00 0.61 C ATOM 0 HA PRO A 114 73.787 1.052 0.450 1.00 0.57 H new ATOM 0 HB2 PRO A 114 74.084 3.895 -0.049 1.00 0.65 H new ATOM 0 HB3 PRO A 114 74.463 2.593 -1.160 1.00 0.65 H new ATOM 0 HG2 PRO A 114 72.280 4.467 -1.354 1.00 0.67 H new ATOM 0 HG3 PRO A 114 72.638 3.143 -2.444 1.00 0.67 H new ATOM 0 HD2 PRO A 114 70.445 3.313 -0.532 1.00 0.61 H new ATOM 0 HD3 PRO A 114 70.777 2.008 -1.654 1.00 0.61 H new ATOM 1298 N PRO A 115 72.871 3.556 2.337 1.00 0.54 N ATOM 1299 CA PRO A 115 73.062 4.103 3.705 1.00 0.53 C ATOM 1300 C PRO A 115 72.552 3.116 4.756 1.00 0.50 C ATOM 1301 O PRO A 115 71.508 3.307 5.348 1.00 0.56 O ATOM 1302 CB PRO A 115 72.207 5.372 3.682 1.00 0.59 C ATOM 1303 CG PRO A 115 71.557 5.505 2.291 1.00 0.62 C ATOM 1304 CD PRO A 115 71.957 4.289 1.441 1.00 0.61 C ATOM 0 HA PRO A 115 74.105 4.291 3.959 1.00 0.53 H new ATOM 0 HB2 PRO A 115 71.440 5.325 4.455 1.00 0.59 H new ATOM 0 HB3 PRO A 115 72.822 6.246 3.897 1.00 0.59 H new ATOM 0 HG2 PRO A 115 70.472 5.560 2.385 1.00 0.62 H new ATOM 0 HG3 PRO A 115 71.882 6.427 1.809 1.00 0.62 H new ATOM 0 HD2 PRO A 115 71.092 3.687 1.163 1.00 0.61 H new ATOM 0 HD3 PRO A 115 72.449 4.586 0.515 1.00 0.61 H new ATOM 1312 N VAL A 116 73.280 2.061 4.990 1.00 0.46 N ATOM 1313 CA VAL A 116 72.841 1.060 5.997 1.00 0.48 C ATOM 1314 C VAL A 116 73.412 1.406 7.375 1.00 0.46 C ATOM 1315 O VAL A 116 74.476 1.981 7.490 1.00 0.44 O ATOM 1316 CB VAL A 116 73.407 -0.268 5.500 1.00 0.50 C ATOM 1317 CG1 VAL A 116 73.155 -0.406 3.997 1.00 0.47 C ATOM 1318 CG2 VAL A 116 74.910 -0.317 5.774 1.00 0.60 C ATOM 0 H VAL A 116 74.163 1.849 4.525 1.00 0.46 H new ATOM 0 HA VAL A 116 71.757 1.029 6.105 1.00 0.48 H new ATOM 0 HB VAL A 116 72.916 -1.088 6.024 1.00 0.50 H new ATOM 0 HG11 VAL A 116 73.560 -1.355 3.646 1.00 0.47 H new ATOM 0 HG12 VAL A 116 72.083 -0.376 3.804 1.00 0.47 H new ATOM 0 HG13 VAL A 116 73.642 0.414 3.470 1.00 0.47 H new ATOM 0 HG21 VAL A 116 75.314 -1.265 5.419 1.00 0.60 H new ATOM 0 HG22 VAL A 116 75.402 0.505 5.253 1.00 0.60 H new ATOM 0 HG23 VAL A 116 75.088 -0.225 6.846 1.00 0.60 H new ATOM 1328 N LYS A 117 72.715 1.056 8.419 1.00 0.53 N ATOM 1329 CA LYS A 117 73.220 1.360 9.788 1.00 0.56 C ATOM 1330 C LYS A 117 73.825 0.103 10.419 1.00 0.53 C ATOM 1331 O LYS A 117 73.333 -0.993 10.238 1.00 0.62 O ATOM 1332 CB LYS A 117 71.988 1.812 10.565 1.00 0.73 C ATOM 1333 CG LYS A 117 72.421 2.664 11.760 1.00 0.92 C ATOM 1334 CD LYS A 117 71.690 2.188 13.017 1.00 1.27 C ATOM 1335 CE LYS A 117 71.088 3.394 13.742 1.00 1.63 C ATOM 1336 NZ LYS A 117 69.784 2.909 14.277 1.00 2.08 N ATOM 0 H LYS A 117 71.817 0.573 8.385 1.00 0.53 H new ATOM 0 HA LYS A 117 74.003 2.119 9.785 1.00 0.56 H new ATOM 0 HB2 LYS A 117 71.327 2.386 9.916 1.00 0.73 H new ATOM 0 HB3 LYS A 117 71.424 0.945 10.909 1.00 0.73 H new ATOM 0 HG2 LYS A 117 73.499 2.588 11.903 1.00 0.92 H new ATOM 0 HG3 LYS A 117 72.197 3.714 11.572 1.00 0.92 H new ATOM 0 HD2 LYS A 117 70.904 1.482 12.749 1.00 1.27 H new ATOM 0 HD3 LYS A 117 72.381 1.661 13.675 1.00 1.27 H new ATOM 0 HE2 LYS A 117 71.740 3.739 14.544 1.00 1.63 H new ATOM 0 HE3 LYS A 117 70.948 4.234 13.062 1.00 1.63 H new ATOM 0 HZ1 LYS A 117 69.310 3.681 14.788 1.00 2.08 H new ATOM 0 HZ2 LYS A 117 69.182 2.594 13.490 1.00 2.08 H new ATOM 0 HZ3 LYS A 117 69.949 2.114 14.926 1.00 2.08 H new ATOM 1350 N THR A 118 74.889 0.254 11.158 1.00 0.55 N ATOM 1351 CA THR A 118 75.525 -0.933 11.799 1.00 0.56 C ATOM 1352 C THR A 118 75.876 -0.623 13.256 1.00 0.85 C ATOM 1353 O THR A 118 75.737 -1.457 14.130 1.00 1.45 O ATOM 1354 CB THR A 118 76.793 -1.189 10.984 1.00 0.64 C ATOM 1355 OG1 THR A 118 77.681 -0.091 11.139 1.00 1.49 O ATOM 1356 CG2 THR A 118 76.429 -1.348 9.506 1.00 0.82 C ATOM 0 H THR A 118 75.346 1.146 11.346 1.00 0.55 H new ATOM 0 HA THR A 118 74.865 -1.800 11.810 1.00 0.56 H new ATOM 0 HB THR A 118 77.275 -2.101 11.337 1.00 0.64 H new ATOM 0 HG1 THR A 118 78.496 -0.253 10.619 1.00 1.49 H new ATOM 0 HG21 THR A 118 77.334 -1.530 8.926 1.00 0.82 H new ATOM 0 HG22 THR A 118 75.746 -2.190 9.388 1.00 0.82 H new ATOM 0 HG23 THR A 118 75.947 -0.437 9.150 1.00 0.82 H new ATOM 1364 N LYS A 119 76.330 0.570 13.525 1.00 1.14 N ATOM 1365 CA LYS A 119 76.690 0.934 14.926 1.00 1.55 C ATOM 1366 C LYS A 119 76.998 2.430 15.019 1.00 1.25 C ATOM 1367 O LYS A 119 76.715 3.072 16.011 1.00 1.41 O ATOM 1368 CB LYS A 119 77.936 0.108 15.242 1.00 2.16 C ATOM 1369 CG LYS A 119 78.438 0.462 16.643 1.00 2.73 C ATOM 1370 CD LYS A 119 79.852 -0.091 16.834 1.00 3.29 C ATOM 1371 CE LYS A 119 79.817 -1.619 16.767 1.00 3.57 C ATOM 1372 NZ LYS A 119 80.940 -1.986 15.859 1.00 4.09 N ATOM 0 H LYS A 119 76.468 1.309 12.836 1.00 1.14 H new ATOM 0 HA LYS A 119 75.880 0.732 15.627 1.00 1.55 H new ATOM 0 HB2 LYS A 119 77.705 -0.956 15.184 1.00 2.16 H new ATOM 0 HB3 LYS A 119 78.714 0.306 14.504 1.00 2.16 H new ATOM 0 HG2 LYS A 119 78.438 1.544 16.778 1.00 2.73 H new ATOM 0 HG3 LYS A 119 77.769 0.046 17.396 1.00 2.73 H new ATOM 0 HD2 LYS A 119 80.515 0.302 16.063 1.00 3.29 H new ATOM 0 HD3 LYS A 119 80.253 0.232 17.794 1.00 3.29 H new ATOM 0 HE2 LYS A 119 79.946 -2.061 17.755 1.00 3.57 H new ATOM 0 HE3 LYS A 119 78.863 -1.976 16.380 1.00 3.57 H new ATOM 0 HZ1 LYS A 119 80.983 -3.020 15.761 1.00 4.09 H new ATOM 0 HZ2 LYS A 119 80.786 -1.556 14.925 1.00 4.09 H new ATOM 0 HZ3 LYS A 119 81.836 -1.638 16.257 1.00 4.09 H new ATOM 1386 N PHE A 120 77.575 2.991 13.992 1.00 1.12 N ATOM 1387 CA PHE A 120 77.900 4.446 14.022 1.00 1.06 C ATOM 1388 C PHE A 120 76.754 5.254 13.407 1.00 1.01 C ATOM 1389 O PHE A 120 76.219 6.157 14.020 1.00 1.36 O ATOM 1390 CB PHE A 120 79.168 4.587 13.180 1.00 1.41 C ATOM 1391 CG PHE A 120 80.290 5.114 14.042 1.00 1.76 C ATOM 1392 CD1 PHE A 120 80.863 4.294 15.022 1.00 2.28 C ATOM 1393 CD2 PHE A 120 80.760 6.420 13.860 1.00 2.35 C ATOM 1394 CE1 PHE A 120 81.905 4.781 15.820 1.00 2.76 C ATOM 1395 CE2 PHE A 120 81.802 6.907 14.659 1.00 2.85 C ATOM 1396 CZ PHE A 120 82.374 6.087 15.639 1.00 2.86 C ATOM 0 H PHE A 120 77.836 2.505 13.134 1.00 1.12 H new ATOM 0 HA PHE A 120 78.043 4.817 15.037 1.00 1.06 H new ATOM 0 HB2 PHE A 120 79.444 3.622 12.755 1.00 1.41 H new ATOM 0 HB3 PHE A 120 78.989 5.264 12.344 1.00 1.41 H new ATOM 0 HD1 PHE A 120 80.501 3.286 15.162 1.00 2.28 H new ATOM 0 HD2 PHE A 120 80.319 7.052 13.103 1.00 2.35 H new ATOM 0 HE1 PHE A 120 82.347 4.149 16.576 1.00 2.76 H new ATOM 0 HE2 PHE A 120 82.164 7.915 14.519 1.00 2.85 H new ATOM 0 HZ PHE A 120 83.177 6.462 16.255 1.00 2.86 H new ATOM 1406 N GLY A 121 76.373 4.936 12.200 1.00 0.84 N ATOM 1407 CA GLY A 121 75.263 5.684 11.546 1.00 0.81 C ATOM 1408 C GLY A 121 74.942 5.034 10.199 1.00 0.70 C ATOM 1409 O GLY A 121 75.167 3.857 9.999 1.00 0.84 O ATOM 0 H GLY A 121 76.783 4.190 11.638 1.00 0.84 H new ATOM 0 HA2 GLY A 121 74.380 5.680 12.185 1.00 0.81 H new ATOM 0 HA3 GLY A 121 75.547 6.726 11.402 1.00 0.81 H new ATOM 1413 N TYR A 122 74.422 5.790 9.271 1.00 0.60 N ATOM 1414 CA TYR A 122 74.094 5.208 7.937 1.00 0.53 C ATOM 1415 C TYR A 122 75.294 5.342 6.998 1.00 0.50 C ATOM 1416 O TYR A 122 75.913 6.384 6.915 1.00 0.68 O ATOM 1417 CB TYR A 122 72.915 6.032 7.414 1.00 0.59 C ATOM 1418 CG TYR A 122 71.728 5.895 8.342 1.00 0.72 C ATOM 1419 CD1 TYR A 122 71.644 4.817 9.234 1.00 1.39 C ATOM 1420 CD2 TYR A 122 70.706 6.850 8.304 1.00 1.51 C ATOM 1421 CE1 TYR A 122 70.539 4.699 10.086 1.00 1.56 C ATOM 1422 CE2 TYR A 122 69.603 6.732 9.155 1.00 1.67 C ATOM 1423 CZ TYR A 122 69.518 5.656 10.047 1.00 1.23 C ATOM 1424 OH TYR A 122 68.429 5.540 10.886 1.00 1.52 O ATOM 0 H TYR A 122 74.210 6.782 9.377 1.00 0.60 H new ATOM 0 HA TYR A 122 73.850 4.148 8.001 1.00 0.53 H new ATOM 0 HB2 TYR A 122 73.203 7.080 7.332 1.00 0.59 H new ATOM 0 HB3 TYR A 122 72.644 5.697 6.413 1.00 0.59 H new ATOM 0 HD1 TYR A 122 72.431 4.078 9.264 1.00 1.39 H new ATOM 0 HD2 TYR A 122 70.769 7.680 7.616 1.00 1.51 H new ATOM 0 HE1 TYR A 122 70.474 3.869 10.774 1.00 1.56 H new ATOM 0 HE2 TYR A 122 68.816 7.471 9.124 1.00 1.67 H new ATOM 0 HH TYR A 122 67.815 6.288 10.731 1.00 1.52 H new ATOM 1434 N HIS A 123 75.627 4.298 6.290 1.00 0.45 N ATOM 1435 CA HIS A 123 76.788 4.376 5.358 1.00 0.45 C ATOM 1436 C HIS A 123 76.509 3.553 4.101 1.00 0.36 C ATOM 1437 O HIS A 123 75.790 2.579 4.142 1.00 0.35 O ATOM 1438 CB HIS A 123 77.967 3.800 6.141 1.00 0.53 C ATOM 1439 CG HIS A 123 77.662 2.389 6.561 1.00 0.99 C ATOM 1440 ND1 HIS A 123 77.974 1.299 5.766 1.00 2.26 N ATOM 1441 CD2 HIS A 123 77.088 1.874 7.697 1.00 0.88 C ATOM 1442 CE1 HIS A 123 77.591 0.192 6.429 1.00 2.76 C ATOM 1443 NE2 HIS A 123 77.045 0.486 7.611 1.00 1.93 N ATOM 0 H HIS A 123 75.148 3.398 6.316 1.00 0.45 H new ATOM 0 HA HIS A 123 76.988 5.395 5.026 1.00 0.45 H new ATOM 0 HB2 HIS A 123 78.867 3.819 5.526 1.00 0.53 H new ATOM 0 HB3 HIS A 123 78.167 4.415 7.019 1.00 0.53 H new ATOM 0 HD1 HIS A 123 78.414 1.329 4.846 1.00 2.26 H new ATOM 0 HD2 HIS A 123 76.725 2.457 8.530 1.00 0.88 H new ATOM 0 HE1 HIS A 123 77.711 -0.812 6.050 1.00 2.76 H new ATOM 1451 N ILE A 124 77.065 3.943 2.983 1.00 0.34 N ATOM 1452 CA ILE A 124 76.814 3.186 1.720 1.00 0.32 C ATOM 1453 C ILE A 124 77.851 2.074 1.546 1.00 0.34 C ATOM 1454 O ILE A 124 79.040 2.292 1.669 1.00 0.42 O ATOM 1455 CB ILE A 124 76.956 4.222 0.603 1.00 0.35 C ATOM 1456 CG1 ILE A 124 76.046 5.420 0.891 1.00 0.38 C ATOM 1457 CG2 ILE A 124 76.555 3.592 -0.732 1.00 0.45 C ATOM 1458 CD1 ILE A 124 76.130 6.413 -0.273 1.00 0.45 C ATOM 0 H ILE A 124 77.681 4.751 2.890 1.00 0.34 H new ATOM 0 HA ILE A 124 75.834 2.709 1.718 1.00 0.32 H new ATOM 0 HB ILE A 124 77.992 4.557 0.554 1.00 0.35 H new ATOM 0 HG12 ILE A 124 75.017 5.086 1.025 1.00 0.38 H new ATOM 0 HG13 ILE A 124 76.347 5.905 1.820 1.00 0.38 H new ATOM 0 HG21 ILE A 124 76.656 4.330 -1.528 1.00 0.45 H new ATOM 0 HG22 ILE A 124 77.203 2.741 -0.942 1.00 0.45 H new ATOM 0 HG23 ILE A 124 75.520 3.255 -0.679 1.00 0.45 H new ATOM 0 HD11 ILE A 124 75.483 7.267 -0.070 1.00 0.45 H new ATOM 0 HD12 ILE A 124 77.159 6.756 -0.385 1.00 0.45 H new ATOM 0 HD13 ILE A 124 75.808 5.924 -1.192 1.00 0.45 H new ATOM 1470 N ILE A 125 77.403 0.881 1.262 1.00 0.35 N ATOM 1471 CA ILE A 125 78.348 -0.255 1.082 1.00 0.39 C ATOM 1472 C ILE A 125 78.360 -0.703 -0.385 1.00 0.36 C ATOM 1473 O ILE A 125 77.339 -1.047 -0.946 1.00 0.45 O ATOM 1474 CB ILE A 125 77.791 -1.362 1.986 1.00 0.45 C ATOM 1475 CG1 ILE A 125 78.313 -1.172 3.410 1.00 0.76 C ATOM 1476 CG2 ILE A 125 78.227 -2.735 1.468 1.00 0.56 C ATOM 1477 CD1 ILE A 125 77.826 -2.329 4.286 1.00 0.78 C ATOM 0 H ILE A 125 76.417 0.645 1.147 1.00 0.35 H new ATOM 0 HA ILE A 125 79.375 0.005 1.337 1.00 0.39 H new ATOM 0 HB ILE A 125 76.702 -1.306 1.982 1.00 0.45 H new ATOM 0 HG12 ILE A 125 79.402 -1.136 3.408 1.00 0.76 H new ATOM 0 HG13 ILE A 125 77.963 -0.222 3.814 1.00 0.76 H new ATOM 0 HG21 ILE A 125 77.826 -3.513 2.117 1.00 0.56 H new ATOM 0 HG22 ILE A 125 77.851 -2.878 0.455 1.00 0.56 H new ATOM 0 HG23 ILE A 125 79.315 -2.793 1.462 1.00 0.56 H new ATOM 0 HD11 ILE A 125 78.197 -2.197 5.303 1.00 0.78 H new ATOM 0 HD12 ILE A 125 76.736 -2.344 4.296 1.00 0.78 H new ATOM 0 HD13 ILE A 125 78.198 -3.271 3.884 1.00 0.78 H new ATOM 1489 N MET A 126 79.507 -0.711 -1.004 1.00 0.37 N ATOM 1490 CA MET A 126 79.584 -1.147 -2.421 1.00 0.37 C ATOM 1491 C MET A 126 80.580 -2.311 -2.540 1.00 0.39 C ATOM 1492 O MET A 126 81.774 -2.137 -2.402 1.00 0.41 O ATOM 1493 CB MET A 126 80.051 0.108 -3.184 1.00 0.45 C ATOM 1494 CG MET A 126 81.135 -0.246 -4.206 1.00 1.19 C ATOM 1495 SD MET A 126 81.422 1.166 -5.304 1.00 1.12 S ATOM 1496 CE MET A 126 81.304 2.470 -4.054 1.00 0.79 C ATOM 0 H MET A 126 80.395 -0.433 -0.587 1.00 0.37 H new ATOM 0 HA MET A 126 78.640 -1.515 -2.822 1.00 0.37 H new ATOM 0 HB2 MET A 126 79.203 0.567 -3.692 1.00 0.45 H new ATOM 0 HB3 MET A 126 80.437 0.845 -2.479 1.00 0.45 H new ATOM 0 HG2 MET A 126 82.059 -0.514 -3.693 1.00 1.19 H new ATOM 0 HG3 MET A 126 80.830 -1.116 -4.788 1.00 1.19 H new ATOM 0 HE1 MET A 126 81.757 3.384 -4.438 1.00 0.79 H new ATOM 0 HE2 MET A 126 80.256 2.656 -3.820 1.00 0.79 H new ATOM 0 HE3 MET A 126 81.828 2.157 -3.151 1.00 0.79 H new ATOM 1506 N VAL A 127 80.093 -3.496 -2.793 1.00 0.45 N ATOM 1507 CA VAL A 127 81.006 -4.670 -2.919 1.00 0.50 C ATOM 1508 C VAL A 127 81.448 -4.813 -4.374 1.00 0.61 C ATOM 1509 O VAL A 127 80.731 -4.441 -5.283 1.00 0.84 O ATOM 1510 CB VAL A 127 80.169 -5.874 -2.488 1.00 0.58 C ATOM 1511 CG1 VAL A 127 80.892 -7.163 -2.884 1.00 1.03 C ATOM 1512 CG2 VAL A 127 79.975 -5.843 -0.970 1.00 0.77 C ATOM 0 H VAL A 127 79.102 -3.702 -2.918 1.00 0.45 H new ATOM 0 HA VAL A 127 81.906 -4.572 -2.312 1.00 0.50 H new ATOM 0 HB VAL A 127 79.196 -5.837 -2.979 1.00 0.58 H new ATOM 0 HG11 VAL A 127 80.297 -8.023 -2.577 1.00 1.03 H new ATOM 0 HG12 VAL A 127 81.031 -7.185 -3.965 1.00 1.03 H new ATOM 0 HG13 VAL A 127 81.864 -7.201 -2.392 1.00 1.03 H new ATOM 0 HG21 VAL A 127 79.378 -6.701 -0.662 1.00 0.77 H new ATOM 0 HG22 VAL A 127 80.947 -5.882 -0.478 1.00 0.77 H new ATOM 0 HG23 VAL A 127 79.462 -4.924 -0.688 1.00 0.77 H new ATOM 1522 N GLU A 128 82.621 -5.332 -4.618 1.00 0.54 N ATOM 1523 CA GLU A 128 83.067 -5.460 -6.025 1.00 0.68 C ATOM 1524 C GLU A 128 83.949 -6.698 -6.234 1.00 0.60 C ATOM 1525 O GLU A 128 85.149 -6.668 -6.142 1.00 0.74 O ATOM 1526 CB GLU A 128 83.846 -4.177 -6.316 1.00 0.95 C ATOM 1527 CG GLU A 128 83.231 -3.471 -7.526 1.00 1.15 C ATOM 1528 CD GLU A 128 84.341 -3.066 -8.498 1.00 1.65 C ATOM 1529 OE1 GLU A 128 85.187 -3.899 -8.780 1.00 2.24 O ATOM 1530 OE2 GLU A 128 84.326 -1.931 -8.944 1.00 2.30 O ATOM 0 H GLU A 128 83.277 -5.667 -3.913 1.00 0.54 H new ATOM 0 HA GLU A 128 82.220 -5.588 -6.699 1.00 0.68 H new ATOM 0 HB2 GLU A 128 83.822 -3.519 -5.447 1.00 0.95 H new ATOM 0 HB3 GLU A 128 84.893 -4.411 -6.511 1.00 0.95 H new ATOM 0 HG2 GLU A 128 82.520 -4.131 -8.023 1.00 1.15 H new ATOM 0 HG3 GLU A 128 82.676 -2.590 -7.203 1.00 1.15 H new ATOM 1537 N GLY A 129 83.343 -7.779 -6.544 1.00 0.57 N ATOM 1538 CA GLY A 129 84.109 -9.026 -6.822 1.00 0.69 C ATOM 1539 C GLY A 129 84.332 -9.826 -5.553 1.00 0.63 C ATOM 1540 O GLY A 129 84.926 -9.356 -4.604 1.00 1.16 O ATOM 0 H GLY A 129 82.330 -7.871 -6.623 1.00 0.57 H new ATOM 0 HA2 GLY A 129 83.569 -9.634 -7.548 1.00 0.69 H new ATOM 0 HA3 GLY A 129 85.070 -8.774 -7.270 1.00 0.69 H new ATOM 1544 N ARG A 130 83.883 -11.046 -5.540 1.00 0.71 N ATOM 1545 CA ARG A 130 84.094 -11.888 -4.339 1.00 0.63 C ATOM 1546 C ARG A 130 84.540 -13.293 -4.750 1.00 0.86 C ATOM 1547 O ARG A 130 84.592 -13.622 -5.918 1.00 1.39 O ATOM 1548 CB ARG A 130 82.747 -11.940 -3.611 1.00 0.73 C ATOM 1549 CG ARG A 130 81.598 -11.939 -4.624 1.00 1.19 C ATOM 1550 CD ARG A 130 80.333 -12.487 -3.962 1.00 1.35 C ATOM 1551 NE ARG A 130 79.885 -13.591 -4.855 1.00 1.42 N ATOM 1552 CZ ARG A 130 78.676 -14.070 -4.745 1.00 1.65 C ATOM 1553 NH1 ARG A 130 78.223 -14.436 -3.578 1.00 2.24 N ATOM 1554 NH2 ARG A 130 77.919 -14.181 -5.803 1.00 2.09 N ATOM 0 H ARG A 130 83.381 -11.494 -6.307 1.00 0.71 H new ATOM 0 HA ARG A 130 84.873 -11.479 -3.695 1.00 0.63 H new ATOM 0 HB2 ARG A 130 82.695 -12.835 -2.991 1.00 0.73 H new ATOM 0 HB3 ARG A 130 82.653 -11.084 -2.943 1.00 0.73 H new ATOM 0 HG2 ARG A 130 81.421 -10.927 -4.988 1.00 1.19 H new ATOM 0 HG3 ARG A 130 81.861 -12.548 -5.489 1.00 1.19 H new ATOM 0 HD2 ARG A 130 80.539 -12.851 -2.955 1.00 1.35 H new ATOM 0 HD3 ARG A 130 79.568 -11.716 -3.872 1.00 1.35 H new ATOM 0 HE ARG A 130 80.523 -13.973 -5.553 1.00 1.42 H new ATOM 0 HH11 ARG A 130 78.814 -14.348 -2.751 1.00 2.24 H new ATOM 0 HH12 ARG A 130 77.278 -14.810 -3.492 1.00 2.24 H new ATOM 0 HH21 ARG A 130 78.273 -13.893 -6.716 1.00 2.09 H new ATOM 0 HH22 ARG A 130 76.974 -14.555 -5.717 1.00 2.09 H new ATOM 1568 N LYS A 131 84.865 -14.123 -3.798 1.00 1.12 N ATOM 1569 CA LYS A 131 85.310 -15.506 -4.133 1.00 1.45 C ATOM 1570 C LYS A 131 84.364 -16.533 -3.505 1.00 2.02 C ATOM 1571 O LYS A 131 84.858 -17.483 -2.919 1.00 2.71 O ATOM 1572 CB LYS A 131 86.709 -15.628 -3.529 1.00 1.43 C ATOM 1573 CG LYS A 131 87.695 -14.797 -4.354 1.00 2.07 C ATOM 1574 CD LYS A 131 88.707 -14.132 -3.419 1.00 2.40 C ATOM 1575 CE LYS A 131 90.021 -14.914 -3.454 1.00 3.03 C ATOM 1576 NZ LYS A 131 90.925 -14.181 -2.522 1.00 3.75 N ATOM 1577 OXT LYS A 131 83.164 -16.352 -3.620 1.00 2.47 O ATOM 0 H LYS A 131 84.842 -13.904 -2.802 1.00 1.12 H new ATOM 0 HA LYS A 131 85.311 -15.691 -5.207 1.00 1.45 H new ATOM 0 HB2 LYS A 131 86.702 -15.283 -2.495 1.00 1.43 H new ATOM 0 HB3 LYS A 131 87.021 -16.672 -3.514 1.00 1.43 H new ATOM 0 HG2 LYS A 131 88.211 -15.433 -5.073 1.00 2.07 H new ATOM 0 HG3 LYS A 131 87.159 -14.039 -4.926 1.00 2.07 H new ATOM 0 HD2 LYS A 131 88.877 -13.100 -3.724 1.00 2.40 H new ATOM 0 HD3 LYS A 131 88.315 -14.103 -2.402 1.00 2.40 H new ATOM 0 HE2 LYS A 131 89.876 -15.946 -3.135 1.00 3.03 H new ATOM 0 HE3 LYS A 131 90.435 -14.948 -4.462 1.00 3.03 H new ATOM 0 HZ1 LYS A 131 91.850 -14.656 -2.490 1.00 3.75 H new ATOM 0 HZ2 LYS A 131 91.049 -13.204 -2.856 1.00 3.75 H new ATOM 0 HZ3 LYS A 131 90.508 -14.171 -1.569 1.00 3.75 H new