USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 855 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 111 GLN : amide:sc= 0.847 K(o=0.96,f=-0.84) USER MOD Set 1.2: A 113 TYR OH : rot 141:sc= 0.117 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.326 K(o=-0.11,f=-10!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -1.12 K(o=-0.11,f=-4.5!) USER MOD Set 2.3: A 145 SER OG : rot 83:sc= 1.33 USER MOD Single : A 44 GLN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00868) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= 2.34 (180deg=2.32) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 158:sc= 1.45 USER MOD Single : A 64 GLN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 66 GLN : amide:sc= -2.86! C(o=-2.9!,f=-7!) USER MOD Single : A 67 CYS SG : rot -28:sc= 0.276 USER MOD Single : A 70 SER OG : rot -120:sc= -0.045 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.223 K(o=-0.22,f=-0.78) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0266 K(o=-0.027,f=-8.1!) USER MOD Single : A 98 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.56) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot -28:sc= 1.3 USER MOD Single : A 104 SER OG : rot -77:sc= 1.28 USER MOD Single : A 105 ASN : amide:sc= 0.406 X(o=0.41,f=0) USER MOD Single : A 108 THR OG1 : rot 65:sc= 1.25 USER MOD Single : A 115 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.5) USER MOD Single : A 122 CYS SG : rot 180:sc= -0.653 USER MOD Single : A 127 GLN : amide:sc= 0.881 K(o=0.88,f=-0.0058) USER MOD Single : A 128 MET CE :methyl 177:sc= -1.12 (180deg=-1.19) USER MOD Single : A 130 GLN : amide:sc=-0.00331 X(o=-0.0033,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 139 LYS NZ :NH3+ -176:sc= 1.14 (180deg=1.13) USER MOD Single : A 140 LYS NZ :NH3+ 158:sc= 0.957 (180deg=-0.281!) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.606 -4.120 -17.604 1.00 0.77 N ATOM 129 CA ALA A 42 -2.212 -3.094 -16.748 1.00 0.70 C ATOM 130 C ALA A 42 -3.683 -3.360 -16.380 1.00 0.67 C ATOM 131 O ALA A 42 -4.068 -3.079 -15.254 1.00 0.63 O ATOM 132 CB ALA A 42 -2.055 -1.724 -17.403 1.00 0.81 C ATOM 0 HA ALA A 42 -1.674 -3.125 -15.801 1.00 0.70 H new ATOM 0 HB1 ALA A 42 -2.506 -0.963 -16.766 1.00 0.81 H new ATOM 0 HB2 ALA A 42 -0.996 -1.504 -17.538 1.00 0.81 H new ATOM 0 HB3 ALA A 42 -2.551 -1.726 -18.373 1.00 0.81 H new ATOM 138 N GLU A 43 -4.487 -3.959 -17.264 1.00 0.72 N ATOM 139 CA GLU A 43 -5.883 -4.356 -16.979 1.00 0.72 C ATOM 140 C GLU A 43 -6.020 -5.484 -15.940 1.00 0.64 C ATOM 141 O GLU A 43 -7.046 -5.579 -15.271 1.00 0.65 O ATOM 142 CB GLU A 43 -6.579 -4.756 -18.292 1.00 0.86 C ATOM 143 CG GLU A 43 -5.936 -5.971 -18.991 1.00 0.98 C ATOM 144 CD GLU A 43 -6.447 -6.195 -20.421 1.00 1.80 C ATOM 145 OE1 GLU A 43 -7.508 -5.643 -20.808 1.00 2.63 O ATOM 146 OE2 GLU A 43 -5.765 -6.934 -21.175 1.00 2.67 O ATOM 0 H GLU A 43 -4.189 -4.188 -18.212 1.00 0.72 H new ATOM 0 HA GLU A 43 -6.366 -3.487 -16.533 1.00 0.72 H new ATOM 0 HB2 GLU A 43 -7.625 -4.980 -18.084 1.00 0.86 H new ATOM 0 HB3 GLU A 43 -6.564 -3.906 -18.974 1.00 0.86 H new ATOM 0 HG2 GLU A 43 -4.855 -5.835 -19.017 1.00 0.98 H new ATOM 0 HG3 GLU A 43 -6.131 -6.866 -18.400 1.00 0.98 H new ATOM 153 N GLN A 44 -4.987 -6.313 -15.761 1.00 0.60 N ATOM 154 CA GLN A 44 -4.906 -7.276 -14.662 1.00 0.55 C ATOM 155 C GLN A 44 -4.476 -6.575 -13.377 1.00 0.44 C ATOM 156 O GLN A 44 -5.097 -6.770 -12.337 1.00 0.43 O ATOM 157 CB GLN A 44 -3.905 -8.368 -15.042 1.00 0.61 C ATOM 158 CG GLN A 44 -3.391 -9.258 -13.895 1.00 0.65 C ATOM 159 CD GLN A 44 -4.445 -10.125 -13.212 1.00 0.78 C ATOM 160 OE1 GLN A 44 -4.541 -11.317 -13.443 1.00 1.17 O ATOM 161 NE2 GLN A 44 -5.248 -9.593 -12.319 1.00 0.75 N ATOM 0 H GLN A 44 -4.177 -6.334 -16.381 1.00 0.60 H new ATOM 0 HA GLN A 44 -5.884 -7.724 -14.488 1.00 0.55 H new ATOM 0 HB2 GLN A 44 -4.369 -9.010 -15.791 1.00 0.61 H new ATOM 0 HB3 GLN A 44 -3.046 -7.893 -15.517 1.00 0.61 H new ATOM 0 HG2 GLN A 44 -2.609 -9.908 -14.286 1.00 0.65 H new ATOM 0 HG3 GLN A 44 -2.928 -8.619 -13.143 1.00 0.65 H new ATOM 0 HE21 GLN A 44 -5.187 -8.597 -12.108 1.00 0.75 H new ATOM 0 HE22 GLN A 44 -5.932 -10.176 -11.837 1.00 0.75 H new ATOM 170 N LEU A 45 -3.418 -5.767 -13.425 1.00 0.40 N ATOM 171 CA LEU A 45 -2.930 -5.016 -12.268 1.00 0.35 C ATOM 172 C LEU A 45 -3.987 -4.036 -11.721 1.00 0.33 C ATOM 173 O LEU A 45 -4.098 -3.882 -10.507 1.00 0.31 O ATOM 174 CB LEU A 45 -1.643 -4.307 -12.680 1.00 0.39 C ATOM 175 CG LEU A 45 -0.361 -5.166 -12.705 1.00 0.44 C ATOM 176 CD1 LEU A 45 0.232 -5.267 -11.296 1.00 0.42 C ATOM 177 CD2 LEU A 45 -0.501 -6.592 -13.249 1.00 0.54 C ATOM 0 H LEU A 45 -2.872 -5.614 -14.273 1.00 0.40 H new ATOM 0 HA LEU A 45 -2.725 -5.700 -11.445 1.00 0.35 H new ATOM 0 HB2 LEU A 45 -1.790 -3.884 -13.674 1.00 0.39 H new ATOM 0 HB3 LEU A 45 -1.481 -3.472 -11.999 1.00 0.39 H new ATOM 0 HG LEU A 45 0.284 -4.636 -13.406 1.00 0.44 H new ATOM 0 HD11 LEU A 45 1.136 -5.875 -11.325 1.00 0.42 H new ATOM 0 HD12 LEU A 45 0.477 -4.269 -10.932 1.00 0.42 H new ATOM 0 HD13 LEU A 45 -0.495 -5.729 -10.628 1.00 0.42 H new ATOM 0 HD21 LEU A 45 0.467 -7.091 -13.214 1.00 0.54 H new ATOM 0 HD22 LEU A 45 -1.217 -7.145 -12.640 1.00 0.54 H new ATOM 0 HD23 LEU A 45 -0.853 -6.555 -14.280 1.00 0.54 H new ATOM 189 N ASP A 46 -4.844 -3.480 -12.585 1.00 0.39 N ATOM 190 CA ASP A 46 -6.018 -2.680 -12.234 1.00 0.44 C ATOM 191 C ASP A 46 -7.049 -3.535 -11.455 1.00 0.44 C ATOM 192 O ASP A 46 -7.615 -3.140 -10.428 1.00 0.46 O ATOM 193 CB ASP A 46 -6.604 -2.151 -13.565 1.00 0.57 C ATOM 194 CG ASP A 46 -6.238 -0.698 -13.926 1.00 1.84 C ATOM 195 OD1 ASP A 46 -5.234 -0.152 -13.409 1.00 3.19 O ATOM 196 OD2 ASP A 46 -6.962 -0.067 -14.737 1.00 2.54 O ATOM 0 H ASP A 46 -4.731 -3.582 -13.594 1.00 0.39 H new ATOM 0 HA ASP A 46 -5.753 -1.850 -11.579 1.00 0.44 H new ATOM 0 HB2 ASP A 46 -6.269 -2.802 -14.372 1.00 0.57 H new ATOM 0 HB3 ASP A 46 -7.690 -2.232 -13.520 1.00 0.57 H new ATOM 201 N ALA A 47 -7.228 -4.784 -11.890 1.00 0.46 N ATOM 202 CA ALA A 47 -8.155 -5.718 -11.266 1.00 0.51 C ATOM 203 C ALA A 47 -7.599 -6.202 -9.921 1.00 0.47 C ATOM 204 O ALA A 47 -8.366 -6.473 -9.000 1.00 0.55 O ATOM 205 CB ALA A 47 -8.418 -6.869 -12.245 1.00 0.58 C ATOM 0 H ALA A 47 -6.729 -5.174 -12.690 1.00 0.46 H new ATOM 0 HA ALA A 47 -9.105 -5.230 -11.048 1.00 0.51 H new ATOM 0 HB1 ALA A 47 -9.111 -7.579 -11.794 1.00 0.58 H new ATOM 0 HB2 ALA A 47 -8.851 -6.473 -13.164 1.00 0.58 H new ATOM 0 HB3 ALA A 47 -7.479 -7.374 -12.474 1.00 0.58 H new ATOM 211 N LEU A 48 -6.269 -6.253 -9.800 1.00 0.39 N ATOM 212 CA LEU A 48 -5.507 -6.579 -8.599 1.00 0.36 C ATOM 213 C LEU A 48 -5.640 -5.480 -7.531 1.00 0.34 C ATOM 214 O LEU A 48 -6.033 -5.780 -6.405 1.00 0.40 O ATOM 215 CB LEU A 48 -4.050 -6.816 -9.034 1.00 0.32 C ATOM 216 CG LEU A 48 -3.577 -8.275 -8.963 1.00 0.46 C ATOM 217 CD1 LEU A 48 -2.356 -8.490 -9.857 1.00 0.49 C ATOM 218 CD2 LEU A 48 -3.193 -8.638 -7.546 1.00 0.91 C ATOM 0 H LEU A 48 -5.659 -6.054 -10.593 1.00 0.39 H new ATOM 0 HA LEU A 48 -5.896 -7.481 -8.126 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -3.931 -6.461 -10.058 1.00 0.32 H new ATOM 0 HB3 LEU A 48 -3.397 -6.208 -8.408 1.00 0.32 H new ATOM 0 HG LEU A 48 -4.400 -8.905 -9.301 1.00 0.46 H new ATOM 0 HD11 LEU A 48 -2.036 -9.530 -9.792 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -2.614 -8.253 -10.889 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -1.545 -7.840 -9.528 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -2.860 -9.675 -7.514 1.00 0.91 H new ATOM 0 HD22 LEU A 48 -2.386 -7.987 -7.210 1.00 0.91 H new ATOM 0 HD23 LEU A 48 -4.056 -8.513 -6.892 1.00 0.91 H new ATOM 230 N VAL A 49 -5.428 -4.201 -7.880 1.00 0.32 N ATOM 231 CA VAL A 49 -5.726 -3.079 -6.962 1.00 0.34 C ATOM 232 C VAL A 49 -7.207 -2.948 -6.644 1.00 0.38 C ATOM 233 O VAL A 49 -7.538 -2.372 -5.611 1.00 0.47 O ATOM 234 CB VAL A 49 -5.226 -1.706 -7.445 1.00 0.40 C ATOM 235 CG1 VAL A 49 -3.717 -1.635 -7.571 1.00 0.39 C ATOM 236 CG2 VAL A 49 -5.808 -1.302 -8.792 1.00 0.47 C ATOM 0 H VAL A 49 -5.054 -3.914 -8.785 1.00 0.32 H new ATOM 0 HA VAL A 49 -5.171 -3.352 -6.064 1.00 0.34 H new ATOM 0 HB VAL A 49 -5.567 -1.019 -6.670 1.00 0.40 H new ATOM 0 HG11 VAL A 49 -3.427 -0.642 -7.915 1.00 0.39 H new ATOM 0 HG12 VAL A 49 -3.261 -1.830 -6.600 1.00 0.39 H new ATOM 0 HG13 VAL A 49 -3.376 -2.382 -8.288 1.00 0.39 H new ATOM 0 HG21 VAL A 49 -5.418 -0.325 -9.079 1.00 0.47 H new ATOM 0 HG22 VAL A 49 -5.529 -2.039 -9.545 1.00 0.47 H new ATOM 0 HG23 VAL A 49 -6.894 -1.252 -8.719 1.00 0.47 H new ATOM 246 N LYS A 50 -8.105 -3.502 -7.471 1.00 0.38 N ATOM 247 CA LYS A 50 -9.531 -3.570 -7.136 1.00 0.41 C ATOM 248 C LYS A 50 -10.019 -4.799 -6.345 1.00 0.44 C ATOM 249 O LYS A 50 -11.226 -5.003 -6.220 1.00 0.62 O ATOM 250 CB LYS A 50 -10.393 -3.183 -8.347 1.00 0.40 C ATOM 251 CG LYS A 50 -11.454 -2.195 -7.860 1.00 1.46 C ATOM 252 CD LYS A 50 -10.913 -0.774 -7.664 1.00 0.77 C ATOM 253 CE LYS A 50 -11.993 0.137 -7.066 1.00 1.41 C ATOM 254 NZ LYS A 50 -13.082 0.421 -8.029 1.00 2.15 N ATOM 0 H LYS A 50 -7.867 -3.909 -8.376 1.00 0.38 H new ATOM 0 HA LYS A 50 -9.675 -2.809 -6.369 1.00 0.41 H new ATOM 0 HB2 LYS A 50 -9.779 -2.732 -9.126 1.00 0.40 H new ATOM 0 HB3 LYS A 50 -10.862 -4.066 -8.781 1.00 0.40 H new ATOM 0 HG2 LYS A 50 -12.273 -2.169 -8.578 1.00 1.46 H new ATOM 0 HG3 LYS A 50 -11.868 -2.552 -6.917 1.00 1.46 H new ATOM 0 HD2 LYS A 50 -10.044 -0.797 -7.006 1.00 0.77 H new ATOM 0 HD3 LYS A 50 -10.578 -0.371 -8.620 1.00 0.77 H new ATOM 0 HE2 LYS A 50 -12.411 -0.334 -6.176 1.00 1.41 H new ATOM 0 HE3 LYS A 50 -11.539 1.075 -6.747 1.00 1.41 H new ATOM 0 HZ1 LYS A 50 -13.762 1.080 -7.599 1.00 2.15 H new ATOM 0 HZ2 LYS A 50 -12.682 0.848 -8.889 1.00 2.15 H new ATOM 0 HZ3 LYS A 50 -13.567 -0.465 -8.276 1.00 2.15 H new ATOM 268 N LYS A 51 -9.131 -5.646 -5.808 1.00 0.38 N ATOM 269 CA LYS A 51 -9.497 -6.698 -4.829 1.00 0.41 C ATOM 270 C LYS A 51 -9.928 -6.142 -3.474 1.00 0.48 C ATOM 271 O LYS A 51 -10.818 -6.717 -2.842 1.00 0.68 O ATOM 272 CB LYS A 51 -8.327 -7.673 -4.625 1.00 0.55 C ATOM 273 CG LYS A 51 -8.463 -8.963 -5.430 1.00 0.77 C ATOM 274 CD LYS A 51 -8.587 -8.683 -6.922 1.00 0.95 C ATOM 275 CE LYS A 51 -8.460 -9.935 -7.777 1.00 0.95 C ATOM 276 NZ LYS A 51 -9.527 -10.924 -7.491 1.00 1.55 N ATOM 0 H LYS A 51 -8.137 -5.628 -6.035 1.00 0.38 H new ATOM 0 HA LYS A 51 -10.356 -7.217 -5.255 1.00 0.41 H new ATOM 0 HB2 LYS A 51 -7.398 -7.176 -4.904 1.00 0.55 H new ATOM 0 HB3 LYS A 51 -8.251 -7.921 -3.566 1.00 0.55 H new ATOM 0 HG2 LYS A 51 -7.596 -9.598 -5.249 1.00 0.77 H new ATOM 0 HG3 LYS A 51 -9.339 -9.515 -5.089 1.00 0.77 H new ATOM 0 HD2 LYS A 51 -9.550 -8.212 -7.118 1.00 0.95 H new ATOM 0 HD3 LYS A 51 -7.818 -7.969 -7.217 1.00 0.95 H new ATOM 0 HE2 LYS A 51 -8.498 -9.658 -8.831 1.00 0.95 H new ATOM 0 HE3 LYS A 51 -7.487 -10.394 -7.603 1.00 0.95 H new ATOM 0 HZ1 LYS A 51 -9.398 -11.759 -8.098 1.00 1.55 H new ATOM 0 HZ2 LYS A 51 -9.476 -11.210 -6.492 1.00 1.55 H new ATOM 0 HZ3 LYS A 51 -10.456 -10.497 -7.682 1.00 1.55 H new ATOM 290 N ASP A 52 -9.317 -5.049 -3.029 1.00 0.41 N ATOM 291 CA ASP A 52 -9.659 -4.393 -1.765 1.00 0.40 C ATOM 292 C ASP A 52 -9.734 -2.872 -1.919 1.00 0.38 C ATOM 293 O ASP A 52 -9.463 -2.316 -2.984 1.00 0.38 O ATOM 294 CB ASP A 52 -8.642 -4.786 -0.676 1.00 0.45 C ATOM 295 CG ASP A 52 -9.326 -4.922 0.678 1.00 0.63 C ATOM 296 OD1 ASP A 52 -9.863 -6.012 0.987 1.00 1.39 O ATOM 297 OD2 ASP A 52 -9.406 -3.899 1.387 1.00 1.94 O ATOM 0 H ASP A 52 -8.563 -4.587 -3.538 1.00 0.41 H new ATOM 0 HA ASP A 52 -10.649 -4.734 -1.464 1.00 0.40 H new ATOM 0 HB2 ASP A 52 -8.162 -5.728 -0.943 1.00 0.45 H new ATOM 0 HB3 ASP A 52 -7.856 -4.033 -0.617 1.00 0.45 H new ATOM 302 N LYS A 53 -10.059 -2.187 -0.825 1.00 0.43 N ATOM 303 CA LYS A 53 -9.941 -0.726 -0.703 1.00 0.45 C ATOM 304 C LYS A 53 -8.607 -0.249 -0.159 1.00 0.37 C ATOM 305 O LYS A 53 -8.333 0.944 -0.219 1.00 0.35 O ATOM 306 CB LYS A 53 -11.091 -0.113 0.077 1.00 0.55 C ATOM 307 CG LYS A 53 -11.929 -1.024 0.959 1.00 0.87 C ATOM 308 CD LYS A 53 -11.203 -1.357 2.261 1.00 0.70 C ATOM 309 CE LYS A 53 -11.831 -2.531 3.013 1.00 0.84 C ATOM 310 NZ LYS A 53 -10.776 -3.274 3.738 1.00 1.63 N ATOM 0 H LYS A 53 -10.418 -2.634 0.019 1.00 0.43 H new ATOM 0 HA LYS A 53 -9.995 -0.367 -1.731 1.00 0.45 H new ATOM 0 HB2 LYS A 53 -10.682 0.676 0.708 1.00 0.55 H new ATOM 0 HB3 LYS A 53 -11.760 0.365 -0.638 1.00 0.55 H new ATOM 0 HG2 LYS A 53 -12.880 -0.542 1.184 1.00 0.87 H new ATOM 0 HG3 LYS A 53 -12.157 -1.944 0.422 1.00 0.87 H new ATOM 0 HD2 LYS A 53 -10.161 -1.590 2.040 1.00 0.70 H new ATOM 0 HD3 LYS A 53 -11.203 -0.478 2.906 1.00 0.70 H new ATOM 0 HE2 LYS A 53 -12.582 -2.167 3.714 1.00 0.84 H new ATOM 0 HE3 LYS A 53 -12.342 -3.193 2.314 1.00 0.84 H new ATOM 0 HZ1 LYS A 53 -11.207 -4.052 4.277 1.00 1.63 H new ATOM 0 HZ2 LYS A 53 -10.093 -3.662 3.056 1.00 1.63 H new ATOM 0 HZ3 LYS A 53 -10.285 -2.631 4.392 1.00 1.63 H new ATOM 324 N VAL A 54 -7.807 -1.167 0.370 1.00 0.37 N ATOM 325 CA VAL A 54 -6.481 -0.918 0.948 1.00 0.33 C ATOM 326 C VAL A 54 -5.613 -2.046 0.448 1.00 0.39 C ATOM 327 O VAL A 54 -5.503 -3.113 1.054 1.00 0.60 O ATOM 328 CB VAL A 54 -6.450 -0.842 2.492 1.00 0.31 C ATOM 329 CG1 VAL A 54 -5.458 0.212 2.971 1.00 0.32 C ATOM 330 CG2 VAL A 54 -7.816 -0.571 3.098 1.00 0.37 C ATOM 0 H VAL A 54 -8.072 -2.151 0.412 1.00 0.37 H new ATOM 0 HA VAL A 54 -6.132 0.067 0.638 1.00 0.33 H new ATOM 0 HB VAL A 54 -6.128 -1.826 2.834 1.00 0.31 H new ATOM 0 HG11 VAL A 54 -5.458 0.243 4.061 1.00 0.32 H new ATOM 0 HG12 VAL A 54 -4.459 -0.040 2.615 1.00 0.32 H new ATOM 0 HG13 VAL A 54 -5.747 1.188 2.580 1.00 0.32 H new ATOM 0 HG21 VAL A 54 -7.730 -0.529 4.184 1.00 0.37 H new ATOM 0 HG22 VAL A 54 -8.196 0.381 2.727 1.00 0.37 H new ATOM 0 HG23 VAL A 54 -8.503 -1.370 2.819 1.00 0.37 H new ATOM 340 N VAL A 55 -5.075 -1.850 -0.742 1.00 0.36 N ATOM 341 CA VAL A 55 -4.228 -2.877 -1.341 1.00 0.33 C ATOM 342 C VAL A 55 -2.776 -2.462 -1.185 1.00 0.29 C ATOM 343 O VAL A 55 -2.346 -1.444 -1.727 1.00 0.29 O ATOM 344 CB VAL A 55 -4.648 -3.228 -2.778 1.00 0.33 C ATOM 345 CG1 VAL A 55 -4.159 -4.641 -3.042 1.00 0.89 C ATOM 346 CG2 VAL A 55 -6.161 -3.386 -2.956 1.00 0.92 C ATOM 0 H VAL A 55 -5.202 -1.010 -1.306 1.00 0.36 H new ATOM 0 HA VAL A 55 -4.358 -3.820 -0.810 1.00 0.33 H new ATOM 0 HB VAL A 55 -4.260 -2.433 -3.414 1.00 0.33 H new ATOM 0 HG11 VAL A 55 -4.434 -4.938 -4.054 1.00 0.89 H new ATOM 0 HG12 VAL A 55 -3.075 -4.677 -2.935 1.00 0.89 H new ATOM 0 HG13 VAL A 55 -4.617 -5.324 -2.326 1.00 0.89 H new ATOM 0 HG21 VAL A 55 -6.381 -3.633 -3.995 1.00 0.92 H new ATOM 0 HG22 VAL A 55 -6.522 -4.185 -2.308 1.00 0.92 H new ATOM 0 HG23 VAL A 55 -6.658 -2.452 -2.692 1.00 0.92 H new ATOM 356 N VAL A 56 -2.036 -3.248 -0.403 1.00 0.29 N ATOM 357 CA VAL A 56 -0.654 -2.976 0.002 1.00 0.28 C ATOM 358 C VAL A 56 0.277 -3.908 -0.733 1.00 0.28 C ATOM 359 O VAL A 56 -0.099 -5.012 -1.098 1.00 0.30 O ATOM 360 CB VAL A 56 -0.495 -3.082 1.527 1.00 0.29 C ATOM 361 CG1 VAL A 56 0.856 -2.651 2.056 1.00 0.34 C ATOM 362 CG2 VAL A 56 -1.436 -2.083 2.184 1.00 0.32 C ATOM 0 H VAL A 56 -2.394 -4.123 -0.020 1.00 0.29 H new ATOM 0 HA VAL A 56 -0.393 -1.952 -0.266 1.00 0.28 H new ATOM 0 HB VAL A 56 -0.673 -4.135 1.747 1.00 0.29 H new ATOM 0 HG11 VAL A 56 0.874 -2.761 3.140 1.00 0.34 H new ATOM 0 HG12 VAL A 56 1.635 -3.273 1.615 1.00 0.34 H new ATOM 0 HG13 VAL A 56 1.034 -1.608 1.794 1.00 0.34 H new ATOM 0 HG21 VAL A 56 -1.335 -2.146 3.267 1.00 0.32 H new ATOM 0 HG22 VAL A 56 -1.184 -1.075 1.854 1.00 0.32 H new ATOM 0 HG23 VAL A 56 -2.464 -2.311 1.902 1.00 0.32 H new ATOM 372 N PHE A 57 1.487 -3.441 -0.980 1.00 0.27 N ATOM 373 CA PHE A 57 2.358 -3.988 -2.005 1.00 0.28 C ATOM 374 C PHE A 57 3.789 -3.884 -1.522 1.00 0.34 C ATOM 375 O PHE A 57 4.319 -2.776 -1.440 1.00 0.41 O ATOM 376 CB PHE A 57 2.178 -3.092 -3.226 1.00 0.28 C ATOM 377 CG PHE A 57 0.999 -3.452 -4.095 1.00 0.27 C ATOM 378 CD1 PHE A 57 1.102 -4.452 -5.080 1.00 1.78 C ATOM 379 CD2 PHE A 57 -0.205 -2.761 -3.919 1.00 1.95 C ATOM 380 CE1 PHE A 57 0.002 -4.737 -5.911 1.00 1.81 C ATOM 381 CE2 PHE A 57 -1.309 -3.055 -4.736 1.00 1.93 C ATOM 382 CZ PHE A 57 -1.207 -4.030 -5.746 1.00 0.30 C ATOM 0 H PHE A 57 1.898 -2.661 -0.468 1.00 0.27 H new ATOM 0 HA PHE A 57 2.129 -5.029 -2.231 1.00 0.28 H new ATOM 0 HB2 PHE A 57 2.066 -2.061 -2.891 1.00 0.28 H new ATOM 0 HB3 PHE A 57 3.085 -3.134 -3.829 1.00 0.28 H new ATOM 0 HD1 PHE A 57 2.025 -5.001 -5.198 1.00 1.78 H new ATOM 0 HD2 PHE A 57 -0.285 -2.002 -3.155 1.00 1.95 H new ATOM 0 HE1 PHE A 57 0.084 -5.497 -6.674 1.00 1.81 H new ATOM 0 HE2 PHE A 57 -2.241 -2.530 -4.588 1.00 1.93 H new ATOM 0 HZ PHE A 57 -2.049 -4.235 -6.390 1.00 0.30 H new ATOM 392 N LEU A 58 4.405 -5.005 -1.156 1.00 0.36 N ATOM 393 CA LEU A 58 5.763 -5.005 -0.646 1.00 0.37 C ATOM 394 C LEU A 58 6.512 -6.288 -1.044 1.00 0.39 C ATOM 395 O LEU A 58 5.891 -7.319 -1.312 1.00 0.41 O ATOM 396 CB LEU A 58 5.753 -4.665 0.869 1.00 0.34 C ATOM 397 CG LEU A 58 4.418 -4.731 1.664 1.00 0.35 C ATOM 398 CD1 LEU A 58 3.979 -6.124 2.102 1.00 0.35 C ATOM 399 CD2 LEU A 58 4.589 -3.851 2.889 1.00 0.42 C ATOM 0 H LEU A 58 3.977 -5.929 -1.206 1.00 0.36 H new ATOM 0 HA LEU A 58 6.348 -4.214 -1.115 1.00 0.37 H new ATOM 0 HB2 LEU A 58 6.457 -5.338 1.358 1.00 0.34 H new ATOM 0 HB3 LEU A 58 6.148 -3.655 0.979 1.00 0.34 H new ATOM 0 HG LEU A 58 3.629 -4.395 0.991 1.00 0.35 H new ATOM 0 HD11 LEU A 58 3.038 -6.054 2.647 1.00 0.35 H new ATOM 0 HD12 LEU A 58 3.844 -6.756 1.224 1.00 0.35 H new ATOM 0 HD13 LEU A 58 4.741 -6.559 2.748 1.00 0.35 H new ATOM 0 HD21 LEU A 58 3.673 -3.867 3.479 1.00 0.42 H new ATOM 0 HD22 LEU A 58 5.416 -4.225 3.493 1.00 0.42 H new ATOM 0 HD23 LEU A 58 4.801 -2.829 2.576 1.00 0.42 H new ATOM 411 N LYS A 59 7.846 -6.237 -1.150 1.00 0.45 N ATOM 412 CA LYS A 59 8.677 -7.408 -1.493 1.00 0.54 C ATOM 413 C LYS A 59 8.899 -8.267 -0.244 1.00 0.51 C ATOM 414 O LYS A 59 10.018 -8.438 0.223 1.00 0.59 O ATOM 415 CB LYS A 59 9.954 -6.933 -2.223 1.00 0.69 C ATOM 416 CG LYS A 59 10.850 -5.879 -1.522 1.00 0.68 C ATOM 417 CD LYS A 59 12.136 -6.365 -0.827 1.00 1.03 C ATOM 418 CE LYS A 59 12.970 -7.272 -1.735 1.00 1.77 C ATOM 419 NZ LYS A 59 14.308 -7.564 -1.168 1.00 2.64 N ATOM 0 H LYS A 59 8.384 -5.383 -1.001 1.00 0.45 H new ATOM 0 HA LYS A 59 8.176 -8.070 -2.199 1.00 0.54 H new ATOM 0 HB2 LYS A 59 10.568 -7.811 -2.425 1.00 0.69 H new ATOM 0 HB3 LYS A 59 9.654 -6.525 -3.188 1.00 0.69 H new ATOM 0 HG2 LYS A 59 11.134 -5.135 -2.266 1.00 0.68 H new ATOM 0 HG3 LYS A 59 10.241 -5.367 -0.776 1.00 0.68 H new ATOM 0 HD2 LYS A 59 12.733 -5.504 -0.527 1.00 1.03 H new ATOM 0 HD3 LYS A 59 11.875 -6.905 0.083 1.00 1.03 H new ATOM 0 HE2 LYS A 59 12.436 -8.208 -1.899 1.00 1.77 H new ATOM 0 HE3 LYS A 59 13.087 -6.797 -2.709 1.00 1.77 H new ATOM 0 HZ1 LYS A 59 14.834 -8.181 -1.819 1.00 2.64 H new ATOM 0 HZ2 LYS A 59 14.831 -6.675 -1.036 1.00 2.64 H new ATOM 0 HZ3 LYS A 59 14.200 -8.041 -0.250 1.00 2.64 H new ATOM 433 N GLY A 60 7.802 -8.810 0.280 1.00 0.48 N ATOM 434 CA GLY A 60 7.715 -9.300 1.655 1.00 0.49 C ATOM 435 C GLY A 60 6.289 -9.343 2.207 1.00 0.58 C ATOM 436 O GLY A 60 5.309 -9.344 1.465 1.00 0.80 O ATOM 0 H GLY A 60 6.936 -8.924 -0.246 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.143 -10.301 1.701 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.324 -8.663 2.297 1.00 0.49 H new ATOM 440 N THR A 61 6.171 -9.339 3.534 1.00 0.57 N ATOM 441 CA THR A 61 4.902 -9.476 4.279 1.00 0.56 C ATOM 442 C THR A 61 4.846 -8.542 5.494 1.00 0.52 C ATOM 443 O THR A 61 5.875 -8.016 5.930 1.00 0.56 O ATOM 444 CB THR A 61 4.721 -10.931 4.771 1.00 0.61 C ATOM 445 OG1 THR A 61 5.644 -11.225 5.795 1.00 0.69 O ATOM 446 CG2 THR A 61 4.889 -11.976 3.672 1.00 0.70 C ATOM 0 H THR A 61 6.978 -9.237 4.149 1.00 0.57 H new ATOM 0 HA THR A 61 4.102 -9.205 3.591 1.00 0.56 H new ATOM 0 HB THR A 61 3.695 -10.986 5.134 1.00 0.61 H new ATOM 0 HG1 THR A 61 5.312 -11.976 6.329 1.00 0.69 H new ATOM 0 HG21 THR A 61 4.748 -12.972 4.092 1.00 0.70 H new ATOM 0 HG22 THR A 61 4.149 -11.804 2.890 1.00 0.70 H new ATOM 0 HG23 THR A 61 5.890 -11.900 3.247 1.00 0.70 H new ATOM 454 N PRO A 62 3.653 -8.330 6.083 1.00 0.46 N ATOM 455 CA PRO A 62 3.514 -7.583 7.332 1.00 0.48 C ATOM 456 C PRO A 62 3.984 -8.373 8.571 1.00 0.65 C ATOM 457 O PRO A 62 4.297 -7.773 9.596 1.00 0.90 O ATOM 458 CB PRO A 62 2.022 -7.242 7.428 1.00 0.49 C ATOM 459 CG PRO A 62 1.348 -8.371 6.652 1.00 0.52 C ATOM 460 CD PRO A 62 2.344 -8.661 5.539 1.00 0.56 C ATOM 0 HA PRO A 62 4.148 -6.697 7.319 1.00 0.48 H new ATOM 0 HB2 PRO A 62 1.684 -7.209 8.464 1.00 0.49 H new ATOM 0 HB3 PRO A 62 1.804 -6.268 6.990 1.00 0.49 H new ATOM 0 HG2 PRO A 62 1.177 -9.246 7.279 1.00 0.52 H new ATOM 0 HG3 PRO A 62 0.378 -8.067 6.257 1.00 0.52 H new ATOM 0 HD2 PRO A 62 2.299 -9.707 5.237 1.00 0.56 H new ATOM 0 HD3 PRO A 62 2.126 -8.064 4.654 1.00 0.56 H new ATOM 468 N GLU A 63 4.028 -9.709 8.492 1.00 0.77 N ATOM 469 CA GLU A 63 4.377 -10.607 9.610 1.00 1.13 C ATOM 470 C GLU A 63 5.880 -10.929 9.720 1.00 1.21 C ATOM 471 O GLU A 63 6.358 -11.251 10.812 1.00 1.43 O ATOM 472 CB GLU A 63 3.471 -11.859 9.607 1.00 1.37 C ATOM 473 CG GLU A 63 3.311 -12.650 8.294 1.00 1.93 C ATOM 474 CD GLU A 63 4.433 -13.654 8.002 1.00 2.86 C ATOM 475 OE1 GLU A 63 4.617 -14.621 8.782 1.00 3.70 O ATOM 476 OE2 GLU A 63 5.094 -13.517 6.941 1.00 3.92 O ATOM 0 H GLU A 63 3.817 -10.212 7.630 1.00 0.77 H new ATOM 0 HA GLU A 63 4.173 -10.058 10.529 1.00 1.13 H new ATOM 0 HB2 GLU A 63 3.852 -12.546 10.363 1.00 1.37 H new ATOM 0 HB3 GLU A 63 2.477 -11.549 9.930 1.00 1.37 H new ATOM 0 HG2 GLU A 63 2.363 -13.186 8.324 1.00 1.93 H new ATOM 0 HG3 GLU A 63 3.252 -11.943 7.466 1.00 1.93 H new ATOM 483 N GLN A 64 6.653 -10.767 8.643 1.00 1.06 N ATOM 484 CA GLN A 64 8.108 -10.913 8.619 1.00 1.08 C ATOM 485 C GLN A 64 8.753 -9.727 7.876 1.00 1.11 C ATOM 486 O GLN A 64 8.421 -9.512 6.706 1.00 1.11 O ATOM 487 CB GLN A 64 8.461 -12.213 7.903 1.00 1.13 C ATOM 488 CG GLN A 64 8.135 -13.484 8.696 1.00 1.27 C ATOM 489 CD GLN A 64 8.344 -14.720 7.834 1.00 1.78 C ATOM 490 OE1 GLN A 64 9.309 -15.457 7.970 1.00 2.31 O ATOM 491 NE2 GLN A 64 7.469 -14.989 6.891 1.00 2.43 N ATOM 0 H GLN A 64 6.267 -10.522 7.731 1.00 1.06 H new ATOM 0 HA GLN A 64 8.485 -10.932 9.641 1.00 1.08 H new ATOM 0 HB2 GLN A 64 7.928 -12.246 6.953 1.00 1.13 H new ATOM 0 HB3 GLN A 64 9.526 -12.208 7.671 1.00 1.13 H new ATOM 0 HG2 GLN A 64 8.769 -13.540 9.581 1.00 1.27 H new ATOM 0 HG3 GLN A 64 7.103 -13.447 9.045 1.00 1.27 H new ATOM 0 HE21 GLN A 64 6.657 -14.386 6.762 1.00 2.43 H new ATOM 0 HE22 GLN A 64 7.602 -15.801 6.288 1.00 2.43 H new ATOM 500 N PRO A 65 9.713 -8.992 8.469 1.00 1.34 N ATOM 501 CA PRO A 65 10.404 -7.901 7.790 1.00 1.40 C ATOM 502 C PRO A 65 11.389 -8.460 6.760 1.00 1.24 C ATOM 503 O PRO A 65 12.531 -8.806 7.073 1.00 1.51 O ATOM 504 CB PRO A 65 11.064 -7.084 8.903 1.00 1.74 C ATOM 505 CG PRO A 65 11.353 -8.128 9.979 1.00 1.97 C ATOM 506 CD PRO A 65 10.193 -9.118 9.838 1.00 1.68 C ATOM 0 HA PRO A 65 9.738 -7.259 7.214 1.00 1.40 H new ATOM 0 HB2 PRO A 65 11.977 -6.598 8.558 1.00 1.74 H new ATOM 0 HB3 PRO A 65 10.404 -6.299 9.271 1.00 1.74 H new ATOM 0 HG2 PRO A 65 12.316 -8.613 9.819 1.00 1.97 H new ATOM 0 HG3 PRO A 65 11.382 -7.682 10.973 1.00 1.97 H new ATOM 0 HD2 PRO A 65 10.524 -10.136 10.042 1.00 1.68 H new ATOM 0 HD3 PRO A 65 9.400 -8.892 10.551 1.00 1.68 H new ATOM 514 N GLN A 66 10.915 -8.532 5.517 1.00 0.91 N ATOM 515 CA GLN A 66 11.670 -8.733 4.272 1.00 0.65 C ATOM 516 C GLN A 66 13.069 -8.101 4.306 1.00 0.77 C ATOM 517 O GLN A 66 14.078 -8.789 4.133 1.00 0.93 O ATOM 518 CB GLN A 66 10.877 -8.119 3.103 1.00 0.51 C ATOM 519 CG GLN A 66 10.069 -6.858 3.474 1.00 1.14 C ATOM 520 CD GLN A 66 9.687 -5.940 2.320 1.00 0.75 C ATOM 521 OE1 GLN A 66 8.683 -6.124 1.664 1.00 1.65 O ATOM 522 NE2 GLN A 66 10.346 -4.820 2.128 1.00 0.96 N ATOM 0 H GLN A 66 9.915 -8.445 5.336 1.00 0.91 H new ATOM 0 HA GLN A 66 11.803 -9.808 4.147 1.00 0.65 H new ATOM 0 HB2 GLN A 66 11.571 -7.868 2.301 1.00 0.51 H new ATOM 0 HB3 GLN A 66 10.193 -8.871 2.709 1.00 0.51 H new ATOM 0 HG2 GLN A 66 9.155 -7.173 3.978 1.00 1.14 H new ATOM 0 HG3 GLN A 66 10.648 -6.280 4.194 1.00 1.14 H new ATOM 0 HE21 GLN A 66 11.195 -4.630 2.661 1.00 0.96 H new ATOM 0 HE22 GLN A 66 10.009 -4.140 1.446 1.00 0.96 H new ATOM 531 N CYS A 67 13.099 -6.785 4.532 1.00 0.81 N ATOM 532 CA CYS A 67 14.292 -5.947 4.634 1.00 1.08 C ATOM 533 C CYS A 67 13.906 -4.681 5.433 1.00 1.20 C ATOM 534 O CYS A 67 13.152 -4.788 6.404 1.00 2.02 O ATOM 535 CB CYS A 67 14.801 -5.667 3.205 1.00 1.19 C ATOM 536 SG CYS A 67 16.521 -5.086 3.272 1.00 1.76 S ATOM 0 H CYS A 67 12.241 -6.247 4.655 1.00 0.81 H new ATOM 0 HA CYS A 67 15.113 -6.424 5.169 1.00 1.08 H new ATOM 0 HB2 CYS A 67 14.736 -6.572 2.601 1.00 1.19 H new ATOM 0 HB3 CYS A 67 14.172 -4.917 2.725 1.00 1.19 H new ATOM 0 HG CYS A 67 16.733 -4.487 4.406 1.00 1.76 H new ATOM 542 N GLY A 68 14.335 -3.489 5.011 1.00 1.00 N ATOM 543 CA GLY A 68 13.709 -2.221 5.407 1.00 1.04 C ATOM 544 C GLY A 68 12.292 -2.028 4.834 1.00 1.11 C ATOM 545 O GLY A 68 11.722 -2.928 4.206 1.00 2.00 O ATOM 0 H GLY A 68 15.130 -3.374 4.382 1.00 1.00 H new ATOM 0 HA2 GLY A 68 13.662 -2.173 6.495 1.00 1.04 H new ATOM 0 HA3 GLY A 68 14.340 -1.395 5.079 1.00 1.04 H new ATOM 549 N PHE A 69 11.743 -0.823 5.048 1.00 0.87 N ATOM 550 CA PHE A 69 10.488 -0.252 4.514 1.00 0.72 C ATOM 551 C PHE A 69 9.166 -0.943 4.908 1.00 0.60 C ATOM 552 O PHE A 69 8.131 -0.291 5.023 1.00 0.58 O ATOM 553 CB PHE A 69 10.582 -0.096 2.984 1.00 1.36 C ATOM 554 CG PHE A 69 11.434 1.042 2.446 1.00 0.71 C ATOM 555 CD1 PHE A 69 12.753 1.298 2.874 1.00 1.68 C ATOM 556 CD2 PHE A 69 10.871 1.864 1.462 1.00 1.79 C ATOM 557 CE1 PHE A 69 13.465 2.392 2.348 1.00 2.05 C ATOM 558 CE2 PHE A 69 11.558 2.974 0.958 1.00 1.84 C ATOM 559 CZ PHE A 69 12.867 3.237 1.394 1.00 1.43 C ATOM 0 H PHE A 69 12.210 -0.154 5.660 1.00 0.87 H new ATOM 0 HA PHE A 69 10.418 0.716 5.011 1.00 0.72 H new ATOM 0 HB2 PHE A 69 10.969 -1.029 2.574 1.00 1.36 H new ATOM 0 HB3 PHE A 69 9.571 0.028 2.596 1.00 1.36 H new ATOM 0 HD1 PHE A 69 13.217 0.654 3.606 1.00 1.68 H new ATOM 0 HD2 PHE A 69 9.885 1.636 1.084 1.00 1.79 H new ATOM 0 HE1 PHE A 69 14.475 2.584 2.678 1.00 2.05 H new ATOM 0 HE2 PHE A 69 11.084 3.625 0.238 1.00 1.84 H new ATOM 0 HZ PHE A 69 13.411 4.082 1.000 1.00 1.43 H new ATOM 569 N SER A 70 9.170 -2.256 5.106 1.00 0.71 N ATOM 570 CA SER A 70 7.977 -3.109 5.138 1.00 0.69 C ATOM 571 C SER A 70 7.095 -2.913 6.373 1.00 0.59 C ATOM 572 O SER A 70 5.870 -2.916 6.281 1.00 0.59 O ATOM 573 CB SER A 70 8.486 -4.547 5.030 1.00 0.89 C ATOM 574 OG SER A 70 8.979 -5.083 6.248 1.00 2.01 O ATOM 0 H SER A 70 10.033 -2.779 5.255 1.00 0.71 H new ATOM 0 HA SER A 70 7.318 -2.842 4.312 1.00 0.69 H new ATOM 0 HB2 SER A 70 7.676 -5.181 4.669 1.00 0.89 H new ATOM 0 HB3 SER A 70 9.278 -4.585 4.282 1.00 0.89 H new ATOM 0 HG SER A 70 9.920 -5.334 6.138 1.00 2.01 H new ATOM 580 N ASN A 71 7.718 -2.684 7.528 1.00 0.61 N ATOM 581 CA ASN A 71 7.034 -2.389 8.778 1.00 0.57 C ATOM 582 C ASN A 71 6.675 -0.903 8.871 1.00 0.55 C ATOM 583 O ASN A 71 5.667 -0.580 9.481 1.00 0.57 O ATOM 584 CB ASN A 71 7.942 -2.834 9.936 1.00 0.69 C ATOM 585 CG ASN A 71 7.160 -3.337 11.137 1.00 1.94 C ATOM 586 OD1 ASN A 71 6.566 -4.412 11.108 1.00 3.12 O ATOM 587 ND2 ASN A 71 7.134 -2.595 12.219 1.00 2.44 N ATOM 0 H ASN A 71 8.734 -2.700 7.619 1.00 0.61 H new ATOM 0 HA ASN A 71 6.092 -2.934 8.829 1.00 0.57 H new ATOM 0 HB2 ASN A 71 8.609 -3.622 9.586 1.00 0.69 H new ATOM 0 HB3 ASN A 71 8.570 -1.997 10.242 1.00 0.69 H new ATOM 0 HD21 ASN A 71 6.619 -2.910 13.041 1.00 2.44 H new ATOM 0 HD22 ASN A 71 7.629 -1.703 12.238 1.00 2.44 H new ATOM 594 N ALA A 72 7.438 -0.013 8.225 1.00 0.54 N ATOM 595 CA ALA A 72 7.166 1.430 8.207 1.00 0.52 C ATOM 596 C ALA A 72 5.784 1.752 7.630 1.00 0.46 C ATOM 597 O ALA A 72 5.013 2.510 8.228 1.00 0.46 O ATOM 598 CB ALA A 72 8.283 2.159 7.442 1.00 0.56 C ATOM 0 H ALA A 72 8.269 -0.276 7.695 1.00 0.54 H new ATOM 0 HA ALA A 72 7.155 1.786 9.237 1.00 0.52 H new ATOM 0 HB1 ALA A 72 8.078 3.229 7.431 1.00 0.56 H new ATOM 0 HB2 ALA A 72 9.239 1.978 7.934 1.00 0.56 H new ATOM 0 HB3 ALA A 72 8.326 1.787 6.418 1.00 0.56 H new ATOM 604 N VAL A 73 5.422 1.117 6.515 1.00 0.44 N ATOM 605 CA VAL A 73 4.129 1.288 5.881 1.00 0.44 C ATOM 606 C VAL A 73 2.987 0.636 6.661 1.00 0.39 C ATOM 607 O VAL A 73 1.900 1.201 6.771 1.00 0.38 O ATOM 608 CB VAL A 73 4.216 0.768 4.442 1.00 0.55 C ATOM 609 CG1 VAL A 73 5.115 1.663 3.585 1.00 0.66 C ATOM 610 CG2 VAL A 73 4.746 -0.645 4.312 1.00 0.55 C ATOM 0 H VAL A 73 6.032 0.462 6.026 1.00 0.44 H new ATOM 0 HA VAL A 73 3.887 2.351 5.871 1.00 0.44 H new ATOM 0 HB VAL A 73 3.182 0.778 4.097 1.00 0.55 H new ATOM 0 HG11 VAL A 73 5.158 1.270 2.569 1.00 0.66 H new ATOM 0 HG12 VAL A 73 4.709 2.674 3.566 1.00 0.66 H new ATOM 0 HG13 VAL A 73 6.119 1.683 4.009 1.00 0.66 H new ATOM 0 HG21 VAL A 73 4.773 -0.928 3.260 1.00 0.55 H new ATOM 0 HG22 VAL A 73 5.753 -0.696 4.727 1.00 0.55 H new ATOM 0 HG23 VAL A 73 4.095 -1.329 4.856 1.00 0.55 H new ATOM 620 N VAL A 74 3.247 -0.528 7.258 1.00 0.39 N ATOM 621 CA VAL A 74 2.255 -1.301 8.019 1.00 0.41 C ATOM 622 C VAL A 74 1.992 -0.684 9.397 1.00 0.38 C ATOM 623 O VAL A 74 0.846 -0.670 9.843 1.00 0.41 O ATOM 624 CB VAL A 74 2.692 -2.775 8.075 1.00 0.46 C ATOM 625 CG1 VAL A 74 1.823 -3.630 8.996 1.00 0.54 C ATOM 626 CG2 VAL A 74 2.613 -3.376 6.663 1.00 0.55 C ATOM 0 H VAL A 74 4.166 -0.970 7.228 1.00 0.39 H new ATOM 0 HA VAL A 74 1.293 -1.265 7.508 1.00 0.41 H new ATOM 0 HB VAL A 74 3.708 -2.783 8.471 1.00 0.46 H new ATOM 0 HG11 VAL A 74 2.186 -4.658 8.989 1.00 0.54 H new ATOM 0 HG12 VAL A 74 1.871 -3.236 10.011 1.00 0.54 H new ATOM 0 HG13 VAL A 74 0.791 -3.608 8.646 1.00 0.54 H new ATOM 0 HG21 VAL A 74 2.921 -4.421 6.695 1.00 0.55 H new ATOM 0 HG22 VAL A 74 1.588 -3.311 6.297 1.00 0.55 H new ATOM 0 HG23 VAL A 74 3.273 -2.823 5.995 1.00 0.55 H new ATOM 636 N GLN A 75 3.009 -0.086 10.026 1.00 0.35 N ATOM 637 CA GLN A 75 2.866 0.739 11.225 1.00 0.39 C ATOM 638 C GLN A 75 1.998 1.963 10.953 1.00 0.33 C ATOM 639 O GLN A 75 1.056 2.182 11.706 1.00 0.35 O ATOM 640 CB GLN A 75 4.231 1.126 11.819 1.00 0.51 C ATOM 641 CG GLN A 75 4.800 -0.005 12.695 1.00 0.82 C ATOM 642 CD GLN A 75 4.018 -0.245 13.991 1.00 1.30 C ATOM 643 OE1 GLN A 75 3.166 0.530 14.412 1.00 2.50 O ATOM 644 NE2 GLN A 75 4.276 -1.325 14.689 1.00 0.91 N ATOM 0 H GLN A 75 3.975 -0.165 9.707 1.00 0.35 H new ATOM 0 HA GLN A 75 2.355 0.137 11.977 1.00 0.39 H new ATOM 0 HB2 GLN A 75 4.930 1.352 11.014 1.00 0.51 H new ATOM 0 HB3 GLN A 75 4.127 2.033 12.414 1.00 0.51 H new ATOM 0 HG2 GLN A 75 4.813 -0.928 12.115 1.00 0.82 H new ATOM 0 HG3 GLN A 75 5.835 0.229 12.945 1.00 0.82 H new ATOM 0 HE21 GLN A 75 4.980 -1.987 14.363 1.00 0.91 H new ATOM 0 HE22 GLN A 75 3.773 -1.503 15.558 1.00 0.91 H new ATOM 653 N ILE A 76 2.215 2.706 9.858 1.00 0.30 N ATOM 654 CA ILE A 76 1.357 3.869 9.546 1.00 0.28 C ATOM 655 C ILE A 76 -0.107 3.436 9.408 1.00 0.27 C ATOM 656 O ILE A 76 -0.994 4.071 9.980 1.00 0.27 O ATOM 657 CB ILE A 76 1.877 4.621 8.300 1.00 0.29 C ATOM 658 CG1 ILE A 76 3.157 5.380 8.703 1.00 0.33 C ATOM 659 CG2 ILE A 76 0.846 5.615 7.726 1.00 0.32 C ATOM 660 CD1 ILE A 76 3.931 5.953 7.516 1.00 0.36 C ATOM 0 H ILE A 76 2.960 2.532 9.183 1.00 0.30 H new ATOM 0 HA ILE A 76 1.403 4.574 10.376 1.00 0.28 H new ATOM 0 HB ILE A 76 2.073 3.889 7.517 1.00 0.29 H new ATOM 0 HG12 ILE A 76 2.889 6.193 9.378 1.00 0.33 H new ATOM 0 HG13 ILE A 76 3.809 4.706 9.259 1.00 0.33 H new ATOM 0 HG21 ILE A 76 1.268 6.113 6.853 1.00 0.32 H new ATOM 0 HG22 ILE A 76 -0.056 5.077 7.436 1.00 0.32 H new ATOM 0 HG23 ILE A 76 0.597 6.359 8.483 1.00 0.32 H new ATOM 0 HD11 ILE A 76 4.818 6.473 7.877 1.00 0.36 H new ATOM 0 HD12 ILE A 76 4.230 5.143 6.851 1.00 0.36 H new ATOM 0 HD13 ILE A 76 3.297 6.653 6.972 1.00 0.36 H new ATOM 672 N LEU A 77 -0.358 2.319 8.723 1.00 0.27 N ATOM 673 CA LEU A 77 -1.703 1.758 8.585 1.00 0.28 C ATOM 674 C LEU A 77 -2.338 1.401 9.939 1.00 0.32 C ATOM 675 O LEU A 77 -3.375 1.979 10.275 1.00 0.34 O ATOM 676 CB LEU A 77 -1.668 0.586 7.588 1.00 0.31 C ATOM 677 CG LEU A 77 -1.479 1.061 6.136 1.00 0.31 C ATOM 678 CD1 LEU A 77 -1.125 -0.117 5.230 1.00 0.36 C ATOM 679 CD2 LEU A 77 -2.753 1.725 5.602 1.00 0.39 C ATOM 0 H LEU A 77 0.365 1.778 8.249 1.00 0.27 H new ATOM 0 HA LEU A 77 -2.364 2.522 8.176 1.00 0.28 H new ATOM 0 HB2 LEU A 77 -0.857 -0.091 7.855 1.00 0.31 H new ATOM 0 HB3 LEU A 77 -2.595 0.019 7.665 1.00 0.31 H new ATOM 0 HG LEU A 77 -0.667 1.788 6.134 1.00 0.31 H new ATOM 0 HD11 LEU A 77 -0.995 0.237 4.207 1.00 0.36 H new ATOM 0 HD12 LEU A 77 -0.199 -0.576 5.576 1.00 0.36 H new ATOM 0 HD13 LEU A 77 -1.928 -0.853 5.260 1.00 0.36 H new ATOM 0 HD21 LEU A 77 -2.590 2.051 4.575 1.00 0.39 H new ATOM 0 HD22 LEU A 77 -3.575 1.010 5.630 1.00 0.39 H new ATOM 0 HD23 LEU A 77 -3.001 2.587 6.221 1.00 0.39 H new ATOM 691 N ARG A 78 -1.728 0.537 10.763 1.00 0.36 N ATOM 692 CA ARG A 78 -2.282 0.153 12.053 1.00 0.44 C ATOM 693 C ARG A 78 -2.362 1.294 13.076 1.00 0.41 C ATOM 694 O ARG A 78 -3.318 1.316 13.847 1.00 0.47 O ATOM 695 CB ARG A 78 -1.524 -1.085 12.536 1.00 0.57 C ATOM 696 CG ARG A 78 -0.144 -0.805 13.139 1.00 0.64 C ATOM 697 CD ARG A 78 0.487 -2.002 13.863 1.00 0.84 C ATOM 698 NE ARG A 78 0.727 -3.149 12.970 1.00 2.08 N ATOM 699 CZ ARG A 78 1.721 -4.016 13.026 1.00 3.01 C ATOM 700 NH1 ARG A 78 2.650 -3.983 13.934 1.00 3.13 N ATOM 701 NH2 ARG A 78 1.787 -4.954 12.132 1.00 4.65 N ATOM 0 H ARG A 78 -0.837 0.089 10.547 1.00 0.36 H new ATOM 0 HA ARG A 78 -3.335 -0.100 11.930 1.00 0.44 H new ATOM 0 HB2 ARG A 78 -2.132 -1.597 13.281 1.00 0.57 H new ATOM 0 HB3 ARG A 78 -1.405 -1.770 11.697 1.00 0.57 H new ATOM 0 HG2 ARG A 78 0.528 -0.482 12.344 1.00 0.64 H new ATOM 0 HG3 ARG A 78 -0.229 0.025 13.841 1.00 0.64 H new ATOM 0 HD2 ARG A 78 1.431 -1.693 14.311 1.00 0.84 H new ATOM 0 HD3 ARG A 78 -0.166 -2.313 14.678 1.00 0.84 H new ATOM 0 HE ARG A 78 0.047 -3.289 12.223 1.00 2.08 H new ATOM 0 HH11 ARG A 78 2.635 -3.260 14.653 1.00 3.13 H new ATOM 0 HH12 ARG A 78 3.395 -4.680 13.927 1.00 3.13 H new ATOM 0 HH21 ARG A 78 1.078 -5.013 11.401 1.00 4.65 H new ATOM 0 HH22 ARG A 78 2.548 -5.632 12.160 1.00 4.65 H new ATOM 715 N LEU A 79 -1.463 2.286 13.044 1.00 0.36 N ATOM 716 CA LEU A 79 -1.545 3.507 13.855 1.00 0.36 C ATOM 717 C LEU A 79 -2.801 4.326 13.526 1.00 0.36 C ATOM 718 O LEU A 79 -3.451 4.847 14.434 1.00 0.40 O ATOM 719 CB LEU A 79 -0.300 4.370 13.585 1.00 0.35 C ATOM 720 CG LEU A 79 1.006 3.914 14.260 1.00 0.37 C ATOM 721 CD1 LEU A 79 2.153 4.749 13.686 1.00 0.38 C ATOM 722 CD2 LEU A 79 0.975 4.115 15.777 1.00 0.44 C ATOM 0 H LEU A 79 -0.641 2.261 12.441 1.00 0.36 H new ATOM 0 HA LEU A 79 -1.597 3.215 14.904 1.00 0.36 H new ATOM 0 HB2 LEU A 79 -0.135 4.404 12.508 1.00 0.35 H new ATOM 0 HB3 LEU A 79 -0.514 5.389 13.907 1.00 0.35 H new ATOM 0 HG LEU A 79 1.136 2.849 14.066 1.00 0.37 H new ATOM 0 HD11 LEU A 79 3.092 4.445 14.149 1.00 0.38 H new ATOM 0 HD12 LEU A 79 2.213 4.594 12.609 1.00 0.38 H new ATOM 0 HD13 LEU A 79 1.973 5.804 13.891 1.00 0.38 H new ATOM 0 HD21 LEU A 79 1.918 3.779 16.208 1.00 0.44 H new ATOM 0 HD22 LEU A 79 0.830 5.172 16.001 1.00 0.44 H new ATOM 0 HD23 LEU A 79 0.155 3.538 16.204 1.00 0.44 H new ATOM 734 N HIS A 80 -3.175 4.380 12.242 1.00 0.33 N ATOM 735 CA HIS A 80 -4.448 4.916 11.758 1.00 0.33 C ATOM 736 C HIS A 80 -5.640 3.955 11.975 1.00 0.35 C ATOM 737 O HIS A 80 -6.771 4.272 11.601 1.00 0.37 O ATOM 738 CB HIS A 80 -4.271 5.315 10.281 1.00 0.31 C ATOM 739 CG HIS A 80 -3.618 6.665 10.103 1.00 0.29 C ATOM 740 ND1 HIS A 80 -4.233 7.851 10.379 1.00 0.32 N ATOM 741 CD2 HIS A 80 -2.368 6.977 9.635 1.00 0.27 C ATOM 742 CE1 HIS A 80 -3.413 8.860 10.083 1.00 0.31 C ATOM 743 NE2 HIS A 80 -2.247 8.379 9.609 1.00 0.28 N ATOM 0 H HIS A 80 -2.578 4.040 11.488 1.00 0.33 H new ATOM 0 HA HIS A 80 -4.706 5.796 12.347 1.00 0.33 H new ATOM 0 HB2 HIS A 80 -3.670 4.559 9.777 1.00 0.31 H new ATOM 0 HB3 HIS A 80 -5.246 5.323 9.794 1.00 0.31 H new ATOM 0 HD2 HIS A 80 -1.608 6.270 9.338 1.00 0.27 H new ATOM 0 HE1 HIS A 80 -3.648 9.907 10.205 1.00 0.31 H new ATOM 0 HE2 HIS A 80 -1.441 8.920 9.295 1.00 0.28 H new ATOM 751 N GLY A 81 -5.427 2.797 12.608 1.00 0.36 N ATOM 752 CA GLY A 81 -6.460 1.807 12.916 1.00 0.40 C ATOM 753 C GLY A 81 -6.675 0.726 11.843 1.00 0.42 C ATOM 754 O GLY A 81 -7.579 -0.096 11.989 1.00 0.56 O ATOM 0 H GLY A 81 -4.501 2.515 12.930 1.00 0.36 H new ATOM 0 HA2 GLY A 81 -6.202 1.317 13.855 1.00 0.40 H new ATOM 0 HA3 GLY A 81 -7.403 2.329 13.077 1.00 0.40 H new ATOM 758 N VAL A 82 -5.878 0.721 10.767 1.00 0.35 N ATOM 759 CA VAL A 82 -6.120 -0.069 9.546 1.00 0.36 C ATOM 760 C VAL A 82 -5.273 -1.342 9.488 1.00 0.36 C ATOM 761 O VAL A 82 -4.045 -1.291 9.484 1.00 0.41 O ATOM 762 CB VAL A 82 -5.943 0.788 8.275 1.00 0.37 C ATOM 763 CG1 VAL A 82 -6.379 0.016 7.022 1.00 0.40 C ATOM 764 CG2 VAL A 82 -6.774 2.078 8.333 1.00 0.41 C ATOM 0 H VAL A 82 -5.025 1.279 10.717 1.00 0.35 H new ATOM 0 HA VAL A 82 -7.160 -0.393 9.588 1.00 0.36 H new ATOM 0 HB VAL A 82 -4.882 1.034 8.224 1.00 0.37 H new ATOM 0 HG11 VAL A 82 -6.243 0.644 6.142 1.00 0.40 H new ATOM 0 HG12 VAL A 82 -5.774 -0.885 6.921 1.00 0.40 H new ATOM 0 HG13 VAL A 82 -7.430 -0.260 7.112 1.00 0.40 H new ATOM 0 HG21 VAL A 82 -6.620 2.651 7.419 1.00 0.41 H new ATOM 0 HG22 VAL A 82 -7.830 1.826 8.430 1.00 0.41 H new ATOM 0 HG23 VAL A 82 -6.462 2.673 9.191 1.00 0.41 H new ATOM 774 N ARG A 83 -5.946 -2.492 9.387 1.00 0.37 N ATOM 775 CA ARG A 83 -5.385 -3.847 9.377 1.00 0.41 C ATOM 776 C ARG A 83 -6.054 -4.813 8.389 1.00 0.44 C ATOM 777 O ARG A 83 -5.532 -5.894 8.103 1.00 0.55 O ATOM 778 CB ARG A 83 -5.371 -4.386 10.793 1.00 0.57 C ATOM 779 CG ARG A 83 -6.703 -4.288 11.534 1.00 0.79 C ATOM 780 CD ARG A 83 -6.509 -5.115 12.796 1.00 1.74 C ATOM 781 NE ARG A 83 -7.691 -5.062 13.670 1.00 2.20 N ATOM 782 CZ ARG A 83 -7.927 -4.154 14.593 1.00 3.53 C ATOM 783 NH1 ARG A 83 -7.027 -3.301 14.985 1.00 4.95 N ATOM 784 NH2 ARG A 83 -9.104 -4.070 15.127 1.00 4.06 N ATOM 0 H ARG A 83 -6.963 -2.502 9.305 1.00 0.37 H new ATOM 0 HA ARG A 83 -4.365 -3.770 9.001 1.00 0.41 H new ATOM 0 HB2 ARG A 83 -5.064 -5.432 10.765 1.00 0.57 H new ATOM 0 HB3 ARG A 83 -4.615 -3.847 11.363 1.00 0.57 H new ATOM 0 HG2 ARG A 83 -6.947 -3.253 11.773 1.00 0.79 H new ATOM 0 HG3 ARG A 83 -7.522 -4.677 10.929 1.00 0.79 H new ATOM 0 HD2 ARG A 83 -6.304 -6.150 12.524 1.00 1.74 H new ATOM 0 HD3 ARG A 83 -5.638 -4.750 13.340 1.00 1.74 H new ATOM 0 HE ARG A 83 -8.390 -5.795 13.550 1.00 2.20 H new ATOM 0 HH11 ARG A 83 -6.094 -3.319 14.574 1.00 4.95 H new ATOM 0 HH12 ARG A 83 -7.254 -2.614 15.704 1.00 4.95 H new ATOM 0 HH21 ARG A 83 -9.844 -4.706 14.832 1.00 4.06 H new ATOM 0 HH22 ARG A 83 -9.290 -3.367 15.843 1.00 4.06 H new ATOM 798 N ASP A 84 -7.178 -4.390 7.819 1.00 0.52 N ATOM 799 CA ASP A 84 -7.970 -5.111 6.818 1.00 0.58 C ATOM 800 C ASP A 84 -7.528 -4.807 5.369 1.00 0.48 C ATOM 801 O ASP A 84 -8.314 -4.962 4.430 1.00 0.57 O ATOM 802 CB ASP A 84 -9.459 -4.848 7.096 1.00 0.92 C ATOM 803 CG ASP A 84 -10.431 -5.748 6.323 1.00 2.48 C ATOM 804 OD1 ASP A 84 -10.406 -6.989 6.488 1.00 3.67 O ATOM 805 OD2 ASP A 84 -11.316 -5.217 5.610 1.00 3.41 O ATOM 0 H ASP A 84 -7.587 -3.485 8.054 1.00 0.52 H new ATOM 0 HA ASP A 84 -7.793 -6.183 6.910 1.00 0.58 H new ATOM 0 HB2 ASP A 84 -9.642 -4.974 8.163 1.00 0.92 H new ATOM 0 HB3 ASP A 84 -9.680 -3.808 6.855 1.00 0.92 H new ATOM 810 N TYR A 85 -6.258 -4.423 5.163 1.00 0.37 N ATOM 811 CA TYR A 85 -5.658 -4.389 3.834 1.00 0.33 C ATOM 812 C TYR A 85 -5.490 -5.825 3.309 1.00 0.33 C ATOM 813 O TYR A 85 -5.458 -6.799 4.066 1.00 0.37 O ATOM 814 CB TYR A 85 -4.246 -3.728 3.841 1.00 0.33 C ATOM 815 CG TYR A 85 -3.349 -4.136 4.983 1.00 0.35 C ATOM 816 CD1 TYR A 85 -2.705 -5.374 4.887 1.00 1.64 C ATOM 817 CD2 TYR A 85 -3.204 -3.337 6.137 1.00 1.80 C ATOM 818 CE1 TYR A 85 -2.001 -5.885 5.996 1.00 1.63 C ATOM 819 CE2 TYR A 85 -2.443 -3.814 7.221 1.00 1.82 C ATOM 820 CZ TYR A 85 -1.878 -5.107 7.170 1.00 0.42 C ATOM 821 OH TYR A 85 -1.237 -5.601 8.261 1.00 0.49 O ATOM 0 H TYR A 85 -5.629 -4.131 5.911 1.00 0.37 H new ATOM 0 HA TYR A 85 -6.323 -3.802 3.201 1.00 0.33 H new ATOM 0 HB2 TYR A 85 -3.745 -3.969 2.903 1.00 0.33 H new ATOM 0 HB3 TYR A 85 -4.370 -2.645 3.867 1.00 0.33 H new ATOM 0 HD1 TYR A 85 -2.747 -5.937 3.966 1.00 1.64 H new ATOM 0 HD2 TYR A 85 -3.674 -2.366 6.188 1.00 1.80 H new ATOM 0 HE1 TYR A 85 -1.557 -6.868 5.949 1.00 1.63 H new ATOM 0 HE2 TYR A 85 -2.292 -3.192 8.091 1.00 1.82 H new ATOM 0 HH TYR A 85 -1.245 -4.931 8.976 1.00 0.49 H new ATOM 831 N ALA A 86 -5.273 -5.932 2.003 1.00 0.32 N ATOM 832 CA ALA A 86 -4.643 -7.088 1.379 1.00 0.33 C ATOM 833 C ALA A 86 -3.164 -6.754 1.167 1.00 0.31 C ATOM 834 O ALA A 86 -2.854 -5.860 0.379 1.00 0.34 O ATOM 835 CB ALA A 86 -5.393 -7.392 0.078 1.00 0.42 C ATOM 0 H ALA A 86 -5.535 -5.205 1.337 1.00 0.32 H new ATOM 0 HA ALA A 86 -4.692 -7.985 1.996 1.00 0.33 H new ATOM 0 HB1 ALA A 86 -4.940 -8.255 -0.410 1.00 0.42 H new ATOM 0 HB2 ALA A 86 -6.438 -7.608 0.302 1.00 0.42 H new ATOM 0 HB3 ALA A 86 -5.336 -6.529 -0.585 1.00 0.42 H new ATOM 841 N ALA A 87 -2.256 -7.397 1.910 1.00 0.31 N ATOM 842 CA ALA A 87 -0.823 -7.159 1.786 1.00 0.31 C ATOM 843 C ALA A 87 -0.237 -8.135 0.738 1.00 0.32 C ATOM 844 O ALA A 87 -0.010 -9.310 1.043 1.00 0.38 O ATOM 845 CB ALA A 87 -0.113 -7.354 3.138 1.00 0.34 C ATOM 0 H ALA A 87 -2.499 -8.096 2.612 1.00 0.31 H new ATOM 0 HA ALA A 87 -0.663 -6.129 1.466 1.00 0.31 H new ATOM 0 HB1 ALA A 87 0.955 -7.171 3.018 1.00 0.34 H new ATOM 0 HB2 ALA A 87 -0.522 -6.655 3.868 1.00 0.34 H new ATOM 0 HB3 ALA A 87 -0.269 -8.375 3.487 1.00 0.34 H new ATOM 851 N TYR A 88 0.015 -7.674 -0.483 1.00 0.30 N ATOM 852 CA TYR A 88 0.613 -8.448 -1.572 1.00 0.32 C ATOM 853 C TYR A 88 2.129 -8.525 -1.454 1.00 0.34 C ATOM 854 O TYR A 88 2.836 -7.526 -1.628 1.00 0.35 O ATOM 855 CB TYR A 88 0.196 -7.869 -2.931 1.00 0.33 C ATOM 856 CG TYR A 88 -1.216 -8.238 -3.332 1.00 0.42 C ATOM 857 CD1 TYR A 88 -2.315 -7.553 -2.777 1.00 1.84 C ATOM 858 CD2 TYR A 88 -1.427 -9.265 -4.270 1.00 1.85 C ATOM 859 CE1 TYR A 88 -3.627 -7.897 -3.156 1.00 1.87 C ATOM 860 CE2 TYR A 88 -2.735 -9.601 -4.659 1.00 1.94 C ATOM 861 CZ TYR A 88 -3.836 -8.926 -4.093 1.00 0.78 C ATOM 862 OH TYR A 88 -5.095 -9.266 -4.460 1.00 0.97 O ATOM 0 H TYR A 88 -0.199 -6.714 -0.754 1.00 0.30 H new ATOM 0 HA TYR A 88 0.237 -9.468 -1.496 1.00 0.32 H new ATOM 0 HB2 TYR A 88 0.285 -6.783 -2.898 1.00 0.33 H new ATOM 0 HB3 TYR A 88 0.887 -8.222 -3.696 1.00 0.33 H new ATOM 0 HD1 TYR A 88 -2.151 -6.763 -2.060 1.00 1.84 H new ATOM 0 HD2 TYR A 88 -0.585 -9.795 -4.691 1.00 1.85 H new ATOM 0 HE1 TYR A 88 -4.470 -7.373 -2.729 1.00 1.87 H new ATOM 0 HE2 TYR A 88 -2.897 -10.377 -5.392 1.00 1.94 H new ATOM 0 HH TYR A 88 -5.059 -9.994 -5.115 1.00 0.97 H new ATOM 872 N ASN A 89 2.619 -9.750 -1.247 1.00 0.42 N ATOM 873 CA ASN A 89 3.994 -10.113 -1.440 1.00 0.45 C ATOM 874 C ASN A 89 4.338 -10.232 -2.932 1.00 0.47 C ATOM 875 O ASN A 89 3.898 -11.163 -3.613 1.00 0.59 O ATOM 876 CB ASN A 89 4.188 -11.431 -0.696 1.00 0.55 C ATOM 877 CG ASN A 89 5.649 -11.752 -0.550 1.00 1.16 C ATOM 878 OD1 ASN A 89 6.476 -11.460 -1.400 1.00 2.22 O ATOM 879 ND2 ASN A 89 5.999 -12.337 0.560 1.00 1.04 N ATOM 0 H ASN A 89 2.039 -10.528 -0.931 1.00 0.42 H new ATOM 0 HA ASN A 89 4.668 -9.349 -1.052 1.00 0.45 H new ATOM 0 HB2 ASN A 89 3.725 -11.369 0.289 1.00 0.55 H new ATOM 0 HB3 ASN A 89 3.687 -12.235 -1.235 1.00 0.55 H new ATOM 0 HD21 ASN A 89 6.979 -12.560 0.732 1.00 1.04 H new ATOM 0 HD22 ASN A 89 5.293 -12.572 1.257 1.00 1.04 H new ATOM 886 N VAL A 90 5.155 -9.308 -3.433 1.00 0.44 N ATOM 887 CA VAL A 90 5.613 -9.299 -4.839 1.00 0.54 C ATOM 888 C VAL A 90 6.860 -10.156 -5.114 1.00 0.67 C ATOM 889 O VAL A 90 7.356 -10.152 -6.234 1.00 0.93 O ATOM 890 CB VAL A 90 5.728 -7.877 -5.421 1.00 0.59 C ATOM 891 CG1 VAL A 90 4.401 -7.123 -5.226 1.00 0.55 C ATOM 892 CG2 VAL A 90 6.872 -7.059 -4.813 1.00 0.67 C ATOM 0 H VAL A 90 5.526 -8.536 -2.879 1.00 0.44 H new ATOM 0 HA VAL A 90 4.814 -9.798 -5.386 1.00 0.54 H new ATOM 0 HB VAL A 90 5.952 -7.996 -6.481 1.00 0.59 H new ATOM 0 HG11 VAL A 90 4.489 -6.118 -5.640 1.00 0.55 H new ATOM 0 HG12 VAL A 90 3.600 -7.657 -5.738 1.00 0.55 H new ATOM 0 HG13 VAL A 90 4.172 -7.059 -4.162 1.00 0.55 H new ATOM 0 HG21 VAL A 90 6.894 -6.069 -5.269 1.00 0.67 H new ATOM 0 HG22 VAL A 90 6.718 -6.960 -3.739 1.00 0.67 H new ATOM 0 HG23 VAL A 90 7.820 -7.565 -4.998 1.00 0.67 H new ATOM 902 N LEU A 91 7.353 -10.922 -4.134 1.00 0.60 N ATOM 903 CA LEU A 91 8.357 -11.984 -4.340 1.00 0.74 C ATOM 904 C LEU A 91 7.713 -13.358 -4.579 1.00 0.63 C ATOM 905 O LEU A 91 8.382 -14.299 -5.016 1.00 0.67 O ATOM 906 CB LEU A 91 9.288 -12.064 -3.121 1.00 1.02 C ATOM 907 CG LEU A 91 10.042 -10.772 -2.795 1.00 1.34 C ATOM 908 CD1 LEU A 91 10.761 -10.939 -1.460 1.00 1.56 C ATOM 909 CD2 LEU A 91 11.065 -10.424 -3.879 1.00 1.79 C ATOM 0 H LEU A 91 7.065 -10.824 -3.160 1.00 0.60 H new ATOM 0 HA LEU A 91 8.924 -11.723 -5.234 1.00 0.74 H new ATOM 0 HB2 LEU A 91 8.698 -12.352 -2.251 1.00 1.02 H new ATOM 0 HB3 LEU A 91 10.015 -12.858 -3.290 1.00 1.02 H new ATOM 0 HG LEU A 91 9.317 -9.959 -2.743 1.00 1.34 H new ATOM 0 HD11 LEU A 91 11.301 -10.023 -1.220 1.00 1.56 H new ATOM 0 HD12 LEU A 91 10.031 -11.146 -0.677 1.00 1.56 H new ATOM 0 HD13 LEU A 91 11.465 -11.768 -1.527 1.00 1.56 H new ATOM 0 HD21 LEU A 91 11.579 -9.501 -3.611 1.00 1.79 H new ATOM 0 HD22 LEU A 91 11.792 -11.232 -3.966 1.00 1.79 H new ATOM 0 HD23 LEU A 91 10.554 -10.291 -4.832 1.00 1.79 H new ATOM 921 N ASP A 92 6.418 -13.478 -4.285 1.00 0.68 N ATOM 922 CA ASP A 92 5.663 -14.736 -4.336 1.00 0.78 C ATOM 923 C ASP A 92 5.497 -15.267 -5.764 1.00 0.60 C ATOM 924 O ASP A 92 5.580 -16.475 -6.003 1.00 0.85 O ATOM 925 CB ASP A 92 4.291 -14.484 -3.733 1.00 1.10 C ATOM 926 CG ASP A 92 3.529 -15.773 -3.425 1.00 1.44 C ATOM 927 OD1 ASP A 92 4.036 -16.602 -2.629 1.00 1.85 O ATOM 928 OD2 ASP A 92 2.418 -15.957 -3.970 1.00 2.47 O ATOM 0 H ASP A 92 5.848 -12.683 -3.997 1.00 0.68 H new ATOM 0 HA ASP A 92 6.217 -15.491 -3.778 1.00 0.78 H new ATOM 0 HB2 ASP A 92 4.404 -13.907 -2.815 1.00 1.10 H new ATOM 0 HB3 ASP A 92 3.703 -13.877 -4.421 1.00 1.10 H new ATOM 933 N ASP A 93 5.283 -14.344 -6.700 1.00 0.46 N ATOM 934 CA ASP A 93 5.188 -14.560 -8.134 1.00 0.65 C ATOM 935 C ASP A 93 6.033 -13.533 -8.923 1.00 0.61 C ATOM 936 O ASP A 93 5.869 -12.321 -8.724 1.00 0.55 O ATOM 937 CB ASP A 93 3.717 -14.429 -8.533 1.00 0.92 C ATOM 938 CG ASP A 93 2.887 -15.691 -8.276 1.00 1.13 C ATOM 939 OD1 ASP A 93 3.299 -16.798 -8.702 1.00 2.33 O ATOM 940 OD2 ASP A 93 1.767 -15.585 -7.719 1.00 1.27 O ATOM 0 H ASP A 93 5.164 -13.361 -6.455 1.00 0.46 H new ATOM 0 HA ASP A 93 5.574 -15.551 -8.372 1.00 0.65 H new ATOM 0 HB2 ASP A 93 3.275 -13.598 -7.984 1.00 0.92 H new ATOM 0 HB3 ASP A 93 3.659 -14.178 -9.592 1.00 0.92 H new ATOM 945 N PRO A 94 6.856 -13.970 -9.900 1.00 0.69 N ATOM 946 CA PRO A 94 7.614 -13.047 -10.749 1.00 0.69 C ATOM 947 C PRO A 94 6.691 -12.209 -11.646 1.00 0.62 C ATOM 948 O PRO A 94 7.041 -11.102 -12.041 1.00 0.59 O ATOM 949 CB PRO A 94 8.540 -13.944 -11.567 1.00 0.86 C ATOM 950 CG PRO A 94 7.717 -15.221 -11.735 1.00 0.89 C ATOM 951 CD PRO A 94 7.038 -15.341 -10.369 1.00 0.80 C ATOM 0 HA PRO A 94 8.170 -12.317 -10.161 1.00 0.69 H new ATOM 0 HB2 PRO A 94 8.791 -13.496 -12.528 1.00 0.86 H new ATOM 0 HB3 PRO A 94 9.480 -14.134 -11.049 1.00 0.86 H new ATOM 0 HG2 PRO A 94 6.993 -15.136 -12.545 1.00 0.89 H new ATOM 0 HG3 PRO A 94 8.344 -16.085 -11.957 1.00 0.89 H new ATOM 0 HD2 PRO A 94 6.082 -15.858 -10.450 1.00 0.80 H new ATOM 0 HD3 PRO A 94 7.652 -15.915 -9.675 1.00 0.80 H new ATOM 959 N GLU A 95 5.477 -12.699 -11.910 1.00 0.64 N ATOM 960 CA GLU A 95 4.388 -11.986 -12.548 1.00 0.64 C ATOM 961 C GLU A 95 3.919 -10.773 -11.748 1.00 0.56 C ATOM 962 O GLU A 95 3.715 -9.706 -12.319 1.00 0.56 O ATOM 963 CB GLU A 95 3.237 -12.968 -12.681 1.00 0.73 C ATOM 964 CG GLU A 95 3.573 -14.202 -13.533 1.00 0.84 C ATOM 965 CD GLU A 95 4.066 -13.866 -14.948 1.00 1.95 C ATOM 966 OE1 GLU A 95 3.606 -12.866 -15.544 1.00 2.88 O ATOM 967 OE2 GLU A 95 4.878 -14.634 -15.514 1.00 3.10 O ATOM 0 H GLU A 95 5.223 -13.657 -11.668 1.00 0.64 H new ATOM 0 HA GLU A 95 4.733 -11.608 -13.511 1.00 0.64 H new ATOM 0 HB2 GLU A 95 2.934 -13.296 -11.687 1.00 0.73 H new ATOM 0 HB3 GLU A 95 2.382 -12.455 -13.122 1.00 0.73 H new ATOM 0 HG2 GLU A 95 4.338 -14.787 -13.022 1.00 0.84 H new ATOM 0 HG3 GLU A 95 2.687 -14.832 -13.608 1.00 0.84 H new ATOM 974 N LEU A 96 3.814 -10.911 -10.419 1.00 0.55 N ATOM 975 CA LEU A 96 3.550 -9.771 -9.544 1.00 0.51 C ATOM 976 C LEU A 96 4.757 -8.828 -9.534 1.00 0.48 C ATOM 977 O LEU A 96 4.582 -7.614 -9.604 1.00 0.48 O ATOM 978 CB LEU A 96 3.234 -10.197 -8.094 1.00 0.54 C ATOM 979 CG LEU A 96 1.815 -10.718 -7.814 1.00 0.52 C ATOM 980 CD1 LEU A 96 1.745 -11.133 -6.343 1.00 0.59 C ATOM 981 CD2 LEU A 96 0.729 -9.660 -8.042 1.00 0.60 C ATOM 0 H LEU A 96 3.908 -11.802 -9.931 1.00 0.55 H new ATOM 0 HA LEU A 96 2.671 -9.264 -9.943 1.00 0.51 H new ATOM 0 HB2 LEU A 96 3.943 -10.974 -7.807 1.00 0.54 H new ATOM 0 HB3 LEU A 96 3.416 -9.342 -7.442 1.00 0.54 H new ATOM 0 HG LEU A 96 1.631 -11.544 -8.501 1.00 0.52 H new ATOM 0 HD11 LEU A 96 0.746 -11.507 -6.118 1.00 0.59 H new ATOM 0 HD12 LEU A 96 2.478 -11.916 -6.151 1.00 0.59 H new ATOM 0 HD13 LEU A 96 1.961 -10.271 -5.711 1.00 0.59 H new ATOM 0 HD21 LEU A 96 -0.249 -10.090 -7.827 1.00 0.60 H new ATOM 0 HD22 LEU A 96 0.904 -8.810 -7.382 1.00 0.60 H new ATOM 0 HD23 LEU A 96 0.759 -9.326 -9.079 1.00 0.60 H new ATOM 993 N ARG A 97 5.977 -9.385 -9.477 1.00 0.50 N ATOM 994 CA ARG A 97 7.223 -8.594 -9.433 1.00 0.49 C ATOM 995 C ARG A 97 7.396 -7.699 -10.667 1.00 0.49 C ATOM 996 O ARG A 97 7.516 -6.477 -10.553 1.00 0.50 O ATOM 997 CB ARG A 97 8.421 -9.538 -9.221 1.00 0.57 C ATOM 998 CG ARG A 97 9.583 -8.815 -8.529 1.00 0.63 C ATOM 999 CD ARG A 97 10.653 -9.814 -8.074 1.00 0.86 C ATOM 1000 NE ARG A 97 11.738 -9.117 -7.357 1.00 2.41 N ATOM 1001 CZ ARG A 97 12.803 -9.651 -6.787 1.00 3.30 C ATOM 1002 NH1 ARG A 97 13.033 -10.929 -6.811 1.00 2.74 N ATOM 1003 NH2 ARG A 97 13.671 -8.909 -6.161 1.00 4.97 N ATOM 0 H ARG A 97 6.130 -10.393 -9.460 1.00 0.50 H new ATOM 0 HA ARG A 97 7.166 -7.908 -8.588 1.00 0.49 H new ATOM 0 HB2 ARG A 97 8.112 -10.393 -8.619 1.00 0.57 H new ATOM 0 HB3 ARG A 97 8.754 -9.929 -10.183 1.00 0.57 H new ATOM 0 HG2 ARG A 97 10.024 -8.089 -9.212 1.00 0.63 H new ATOM 0 HG3 ARG A 97 9.210 -8.258 -7.669 1.00 0.63 H new ATOM 0 HD2 ARG A 97 10.204 -10.566 -7.425 1.00 0.86 H new ATOM 0 HD3 ARG A 97 11.059 -10.340 -8.938 1.00 0.86 H new ATOM 0 HE ARG A 97 11.656 -8.102 -7.294 1.00 2.41 H new ATOM 0 HH11 ARG A 97 12.380 -11.556 -7.281 1.00 2.74 H new ATOM 0 HH12 ARG A 97 13.867 -11.306 -6.360 1.00 2.74 H new ATOM 0 HH21 ARG A 97 13.534 -7.900 -6.106 1.00 4.97 H new ATOM 0 HH22 ARG A 97 14.488 -9.337 -5.726 1.00 4.97 H new ATOM 1017 N GLN A 98 7.326 -8.289 -11.859 1.00 0.51 N ATOM 1018 CA GLN A 98 7.367 -7.565 -13.132 1.00 0.53 C ATOM 1019 C GLN A 98 6.153 -6.666 -13.298 1.00 0.52 C ATOM 1020 O GLN A 98 6.284 -5.488 -13.642 1.00 0.54 O ATOM 1021 CB GLN A 98 7.454 -8.594 -14.275 1.00 0.59 C ATOM 1022 CG GLN A 98 7.763 -7.998 -15.661 1.00 0.93 C ATOM 1023 CD GLN A 98 6.570 -7.340 -16.360 1.00 2.01 C ATOM 1024 OE1 GLN A 98 5.480 -7.891 -16.491 1.00 3.52 O ATOM 1025 NE2 GLN A 98 6.726 -6.134 -16.851 1.00 2.78 N ATOM 0 H GLN A 98 7.238 -9.299 -11.971 1.00 0.51 H new ATOM 0 HA GLN A 98 8.243 -6.916 -13.152 1.00 0.53 H new ATOM 0 HB2 GLN A 98 8.225 -9.324 -14.029 1.00 0.59 H new ATOM 0 HB3 GLN A 98 6.509 -9.135 -14.330 1.00 0.59 H new ATOM 0 HG2 GLN A 98 8.556 -7.258 -15.554 1.00 0.93 H new ATOM 0 HG3 GLN A 98 8.150 -8.789 -16.303 1.00 0.93 H new ATOM 0 HE21 GLN A 98 7.622 -5.656 -16.755 1.00 2.78 H new ATOM 0 HE22 GLN A 98 5.951 -5.674 -17.329 1.00 2.78 H new ATOM 1034 N GLY A 99 4.985 -7.218 -12.975 1.00 0.53 N ATOM 1035 CA GLY A 99 3.718 -6.509 -13.016 1.00 0.57 C ATOM 1036 C GLY A 99 3.778 -5.184 -12.269 1.00 0.53 C ATOM 1037 O GLY A 99 3.358 -4.170 -12.826 1.00 0.58 O ATOM 0 H GLY A 99 4.896 -8.188 -12.673 1.00 0.53 H new ATOM 0 HA2 GLY A 99 3.438 -6.327 -14.054 1.00 0.57 H new ATOM 0 HA3 GLY A 99 2.939 -7.135 -12.581 1.00 0.57 H new ATOM 1041 N ILE A 100 4.379 -5.155 -11.074 1.00 0.49 N ATOM 1042 CA ILE A 100 4.444 -3.954 -10.248 1.00 0.50 C ATOM 1043 C ILE A 100 5.616 -3.044 -10.611 1.00 0.54 C ATOM 1044 O ILE A 100 5.446 -1.824 -10.582 1.00 0.60 O ATOM 1045 CB ILE A 100 4.381 -4.319 -8.766 1.00 0.47 C ATOM 1046 CG1 ILE A 100 3.814 -3.173 -7.919 1.00 0.52 C ATOM 1047 CG2 ILE A 100 5.728 -4.762 -8.169 1.00 0.52 C ATOM 1048 CD1 ILE A 100 2.545 -2.446 -8.391 1.00 0.68 C ATOM 0 H ILE A 100 4.833 -5.967 -10.656 1.00 0.49 H new ATOM 0 HA ILE A 100 3.562 -3.351 -10.463 1.00 0.50 H new ATOM 0 HB ILE A 100 3.709 -5.177 -8.729 1.00 0.47 H new ATOM 0 HG12 ILE A 100 3.613 -3.569 -6.924 1.00 0.52 H new ATOM 0 HG13 ILE A 100 4.600 -2.425 -7.812 1.00 0.52 H new ATOM 0 HG21 ILE A 100 5.597 -5.003 -7.114 1.00 0.52 H new ATOM 0 HG22 ILE A 100 6.089 -5.642 -8.700 1.00 0.52 H new ATOM 0 HG23 ILE A 100 6.453 -3.955 -8.269 1.00 0.52 H new ATOM 0 HD11 ILE A 100 2.285 -1.666 -7.675 1.00 0.68 H new ATOM 0 HD12 ILE A 100 2.725 -1.997 -9.368 1.00 0.68 H new ATOM 0 HD13 ILE A 100 1.724 -3.159 -8.465 1.00 0.68 H new ATOM 1060 N LYS A 101 6.771 -3.593 -11.022 1.00 0.54 N ATOM 1061 CA LYS A 101 7.893 -2.779 -11.528 1.00 0.58 C ATOM 1062 C LYS A 101 7.512 -1.985 -12.778 1.00 0.63 C ATOM 1063 O LYS A 101 8.007 -0.874 -12.971 1.00 0.74 O ATOM 1064 CB LYS A 101 9.126 -3.655 -11.797 1.00 0.60 C ATOM 1065 CG LYS A 101 9.803 -4.103 -10.488 1.00 0.60 C ATOM 1066 CD LYS A 101 10.887 -5.173 -10.693 1.00 0.68 C ATOM 1067 CE LYS A 101 12.040 -4.674 -11.571 1.00 1.36 C ATOM 1068 NZ LYS A 101 13.051 -5.729 -11.806 1.00 1.46 N ATOM 0 H LYS A 101 6.954 -4.596 -11.014 1.00 0.54 H new ATOM 0 HA LYS A 101 8.141 -2.057 -10.750 1.00 0.58 H new ATOM 0 HB2 LYS A 101 8.831 -4.532 -12.373 1.00 0.60 H new ATOM 0 HB3 LYS A 101 9.841 -3.101 -12.405 1.00 0.60 H new ATOM 0 HG2 LYS A 101 10.248 -3.234 -10.003 1.00 0.60 H new ATOM 0 HG3 LYS A 101 9.043 -4.492 -9.810 1.00 0.60 H new ATOM 0 HD2 LYS A 101 11.279 -5.480 -9.723 1.00 0.68 H new ATOM 0 HD3 LYS A 101 10.441 -6.056 -11.151 1.00 0.68 H new ATOM 0 HE2 LYS A 101 11.646 -4.330 -12.527 1.00 1.36 H new ATOM 0 HE3 LYS A 101 12.514 -3.816 -11.094 1.00 1.36 H new ATOM 0 HZ1 LYS A 101 13.814 -5.352 -12.404 1.00 1.46 H new ATOM 0 HZ2 LYS A 101 13.446 -6.040 -10.896 1.00 1.46 H new ATOM 0 HZ3 LYS A 101 12.604 -6.538 -12.284 1.00 1.46 H new ATOM 1082 N ASP A 102 6.608 -2.505 -13.611 1.00 0.60 N ATOM 1083 CA ASP A 102 6.067 -1.750 -14.745 1.00 0.68 C ATOM 1084 C ASP A 102 4.901 -0.823 -14.338 1.00 0.73 C ATOM 1085 O ASP A 102 4.921 0.373 -14.628 1.00 0.83 O ATOM 1086 CB ASP A 102 5.673 -2.722 -15.861 1.00 0.75 C ATOM 1087 CG ASP A 102 5.460 -1.987 -17.183 1.00 0.94 C ATOM 1088 OD1 ASP A 102 6.456 -1.827 -17.931 1.00 1.97 O ATOM 1089 OD2 ASP A 102 4.315 -1.576 -17.485 1.00 1.49 O ATOM 0 H ASP A 102 6.234 -3.450 -13.521 1.00 0.60 H new ATOM 0 HA ASP A 102 6.846 -1.085 -15.118 1.00 0.68 H new ATOM 0 HB2 ASP A 102 6.451 -3.476 -15.982 1.00 0.75 H new ATOM 0 HB3 ASP A 102 4.760 -3.248 -15.583 1.00 0.75 H new ATOM 1094 N TYR A 103 3.909 -1.333 -13.598 1.00 0.69 N ATOM 1095 CA TYR A 103 2.681 -0.609 -13.236 1.00 0.76 C ATOM 1096 C TYR A 103 2.881 0.537 -12.230 1.00 0.85 C ATOM 1097 O TYR A 103 2.111 1.503 -12.223 1.00 1.07 O ATOM 1098 CB TYR A 103 1.718 -1.646 -12.670 1.00 0.81 C ATOM 1099 CG TYR A 103 0.329 -1.155 -12.369 1.00 0.78 C ATOM 1100 CD1 TYR A 103 -0.671 -1.235 -13.353 1.00 2.14 C ATOM 1101 CD2 TYR A 103 0.027 -0.718 -11.071 1.00 1.88 C ATOM 1102 CE1 TYR A 103 -2.009 -0.946 -13.014 1.00 2.15 C ATOM 1103 CE2 TYR A 103 -1.305 -0.420 -10.733 1.00 1.95 C ATOM 1104 CZ TYR A 103 -2.324 -0.545 -11.699 1.00 0.94 C ATOM 1105 OH TYR A 103 -3.603 -0.245 -11.368 1.00 1.09 O ATOM 0 H TYR A 103 3.937 -2.282 -13.225 1.00 0.69 H new ATOM 0 HA TYR A 103 2.298 -0.118 -14.131 1.00 0.76 H new ATOM 0 HB2 TYR A 103 1.646 -2.471 -13.378 1.00 0.81 H new ATOM 0 HB3 TYR A 103 2.147 -2.050 -11.753 1.00 0.81 H new ATOM 0 HD1 TYR A 103 -0.416 -1.516 -14.364 1.00 2.14 H new ATOM 0 HD2 TYR A 103 0.812 -0.611 -10.337 1.00 1.88 H new ATOM 0 HE1 TYR A 103 -2.788 -1.031 -13.757 1.00 2.15 H new ATOM 0 HE2 TYR A 103 -1.548 -0.095 -9.732 1.00 1.95 H new ATOM 0 HH TYR A 103 -4.079 0.079 -12.161 1.00 1.09 H new ATOM 1115 N SER A 104 3.925 0.464 -11.403 1.00 0.78 N ATOM 1116 CA SER A 104 4.418 1.588 -10.584 1.00 0.84 C ATOM 1117 C SER A 104 5.540 2.392 -11.256 1.00 0.93 C ATOM 1118 O SER A 104 6.012 3.387 -10.703 1.00 1.06 O ATOM 1119 CB SER A 104 4.865 1.107 -9.201 1.00 0.85 C ATOM 1120 OG SER A 104 6.079 0.384 -9.269 1.00 2.36 O ATOM 0 H SER A 104 4.466 -0.391 -11.277 1.00 0.78 H new ATOM 0 HA SER A 104 3.572 2.266 -10.474 1.00 0.84 H new ATOM 0 HB2 SER A 104 4.988 1.964 -8.539 1.00 0.85 H new ATOM 0 HB3 SER A 104 4.089 0.477 -8.766 1.00 0.85 H new ATOM 0 HG SER A 104 5.902 -0.522 -9.599 1.00 2.36 H new ATOM 1126 N ASN A 105 5.976 1.946 -12.438 1.00 0.94 N ATOM 1127 CA ASN A 105 7.126 2.457 -13.196 1.00 1.04 C ATOM 1128 C ASN A 105 8.449 2.547 -12.385 1.00 1.01 C ATOM 1129 O ASN A 105 9.321 3.342 -12.746 1.00 1.11 O ATOM 1130 CB ASN A 105 6.722 3.781 -13.894 1.00 1.24 C ATOM 1131 CG ASN A 105 7.376 4.019 -15.241 1.00 1.42 C ATOM 1132 OD1 ASN A 105 6.775 3.869 -16.299 1.00 1.62 O ATOM 1133 ND2 ASN A 105 8.617 4.424 -15.243 1.00 1.48 N ATOM 0 H ASN A 105 5.511 1.176 -12.920 1.00 0.94 H new ATOM 0 HA ASN A 105 7.376 1.722 -13.961 1.00 1.04 H new ATOM 0 HB2 ASN A 105 5.640 3.790 -14.025 1.00 1.24 H new ATOM 0 HB3 ASN A 105 6.970 4.613 -13.234 1.00 1.24 H new ATOM 0 HD21 ASN A 105 9.089 4.617 -16.126 1.00 1.48 H new ATOM 0 HD22 ASN A 105 9.114 4.548 -14.361 1.00 1.48 H new ATOM 1140 N TRP A 106 8.622 1.795 -11.285 1.00 0.93 N ATOM 1141 CA TRP A 106 9.754 1.935 -10.355 1.00 0.88 C ATOM 1142 C TRP A 106 10.539 0.624 -10.157 1.00 0.79 C ATOM 1143 O TRP A 106 9.915 -0.432 -10.038 1.00 0.82 O ATOM 1144 CB TRP A 106 9.275 2.504 -9.006 1.00 0.94 C ATOM 1145 CG TRP A 106 10.038 3.715 -8.564 1.00 1.01 C ATOM 1146 CD1 TRP A 106 10.914 3.777 -7.535 1.00 1.01 C ATOM 1147 CD2 TRP A 106 10.042 5.044 -9.171 1.00 1.16 C ATOM 1148 NE1 TRP A 106 11.424 5.056 -7.433 1.00 1.14 N ATOM 1149 CE2 TRP A 106 10.946 5.871 -8.439 1.00 1.24 C ATOM 1150 CE3 TRP A 106 9.388 5.623 -10.282 1.00 1.31 C ATOM 1151 CZ2 TRP A 106 11.200 7.201 -8.802 1.00 1.45 C ATOM 1152 CZ3 TRP A 106 9.638 6.960 -10.653 1.00 1.54 C ATOM 1153 CH2 TRP A 106 10.546 7.746 -9.921 1.00 1.61 C ATOM 0 H TRP A 106 7.968 1.061 -11.013 1.00 0.93 H new ATOM 0 HA TRP A 106 10.451 2.639 -10.810 1.00 0.88 H new ATOM 0 HB2 TRP A 106 8.218 2.758 -9.083 1.00 0.94 H new ATOM 0 HB3 TRP A 106 9.362 1.731 -8.243 1.00 0.94 H new ATOM 0 HD1 TRP A 106 11.175 2.951 -6.890 1.00 1.01 H new ATOM 0 HE1 TRP A 106 12.072 5.360 -6.706 1.00 1.14 H new ATOM 0 HE3 TRP A 106 8.687 5.033 -10.855 1.00 1.31 H new ATOM 0 HZ2 TRP A 106 11.891 7.801 -8.228 1.00 1.45 H new ATOM 0 HZ3 TRP A 106 9.128 7.384 -11.506 1.00 1.54 H new ATOM 0 HH2 TRP A 106 10.740 8.766 -10.218 1.00 1.61 H new ATOM 1164 N PRO A 107 11.883 0.669 -10.041 1.00 0.85 N ATOM 1165 CA PRO A 107 12.728 -0.524 -9.903 1.00 0.95 C ATOM 1166 C PRO A 107 12.386 -1.423 -8.707 1.00 0.89 C ATOM 1167 O PRO A 107 12.514 -2.641 -8.830 1.00 1.08 O ATOM 1168 CB PRO A 107 14.168 -0.002 -9.807 1.00 1.10 C ATOM 1169 CG PRO A 107 14.111 1.318 -10.570 1.00 1.52 C ATOM 1170 CD PRO A 107 12.721 1.844 -10.252 1.00 1.00 C ATOM 0 HA PRO A 107 12.567 -1.175 -10.762 1.00 0.95 H new ATOM 0 HB2 PRO A 107 14.475 0.144 -8.771 1.00 1.10 H new ATOM 0 HB3 PRO A 107 14.879 -0.696 -10.255 1.00 1.10 H new ATOM 0 HG2 PRO A 107 14.888 2.008 -10.240 1.00 1.52 H new ATOM 0 HG3 PRO A 107 14.250 1.170 -11.641 1.00 1.52 H new ATOM 0 HD2 PRO A 107 12.737 2.476 -9.364 1.00 1.00 H new ATOM 0 HD3 PRO A 107 12.338 2.454 -11.070 1.00 1.00 H new ATOM 1178 N THR A 108 11.961 -0.851 -7.569 1.00 0.83 N ATOM 1179 CA THR A 108 11.037 -1.423 -6.551 1.00 1.39 C ATOM 1180 C THR A 108 10.931 -0.477 -5.350 1.00 1.02 C ATOM 1181 O THR A 108 11.932 -0.146 -4.713 1.00 1.35 O ATOM 1182 CB THR A 108 11.436 -2.817 -6.019 1.00 2.29 C ATOM 1183 OG1 THR A 108 11.103 -3.774 -6.995 1.00 3.68 O ATOM 1184 CG2 THR A 108 10.670 -3.292 -4.779 1.00 3.34 C ATOM 0 H THR A 108 12.269 0.086 -7.309 1.00 0.83 H new ATOM 0 HA THR A 108 10.087 -1.539 -7.073 1.00 1.39 H new ATOM 0 HB THR A 108 12.494 -2.724 -5.775 1.00 2.29 H new ATOM 0 HG1 THR A 108 11.642 -3.622 -7.799 1.00 3.68 H new ATOM 0 HG21 THR A 108 11.026 -4.280 -4.488 1.00 3.34 H new ATOM 0 HG22 THR A 108 10.833 -2.592 -3.960 1.00 3.34 H new ATOM 0 HG23 THR A 108 9.605 -3.342 -5.006 1.00 3.34 H new ATOM 1192 N ILE A 109 9.704 -0.079 -5.015 1.00 0.94 N ATOM 1193 CA ILE A 109 9.321 0.651 -3.794 1.00 0.70 C ATOM 1194 C ILE A 109 8.008 0.047 -3.273 1.00 0.87 C ATOM 1195 O ILE A 109 7.096 -0.136 -4.090 1.00 1.55 O ATOM 1196 CB ILE A 109 9.172 2.164 -4.110 1.00 1.05 C ATOM 1197 CG1 ILE A 109 10.527 2.906 -4.075 1.00 1.95 C ATOM 1198 CG2 ILE A 109 8.149 2.893 -3.221 1.00 1.19 C ATOM 1199 CD1 ILE A 109 11.167 3.065 -2.689 1.00 3.44 C ATOM 0 H ILE A 109 8.902 -0.265 -5.618 1.00 0.94 H new ATOM 0 HA ILE A 109 10.087 0.556 -3.025 1.00 0.70 H new ATOM 0 HB ILE A 109 8.782 2.190 -5.128 1.00 1.05 H new ATOM 0 HG12 ILE A 109 11.228 2.374 -4.719 1.00 1.95 H new ATOM 0 HG13 ILE A 109 10.388 3.898 -4.506 1.00 1.95 H new ATOM 0 HG21 ILE A 109 8.104 3.944 -3.505 1.00 1.19 H new ATOM 0 HG22 ILE A 109 7.166 2.440 -3.351 1.00 1.19 H new ATOM 0 HG23 ILE A 109 8.451 2.812 -2.177 1.00 1.19 H new ATOM 0 HD11 ILE A 109 12.112 3.599 -2.784 1.00 3.44 H new ATOM 0 HD12 ILE A 109 10.496 3.628 -2.041 1.00 3.44 H new ATOM 0 HD13 ILE A 109 11.348 2.081 -2.257 1.00 3.44 H new ATOM 1211 N PRO A 110 7.847 -0.240 -1.964 1.00 0.55 N ATOM 1212 CA PRO A 110 6.583 -0.738 -1.461 1.00 0.54 C ATOM 1213 C PRO A 110 5.604 0.424 -1.239 1.00 0.43 C ATOM 1214 O PRO A 110 6.002 1.525 -0.840 1.00 0.52 O ATOM 1215 CB PRO A 110 6.934 -1.528 -0.207 1.00 0.84 C ATOM 1216 CG PRO A 110 8.141 -0.819 0.361 1.00 0.51 C ATOM 1217 CD PRO A 110 8.826 -0.216 -0.880 1.00 0.59 C ATOM 0 HA PRO A 110 6.060 -1.392 -2.159 1.00 0.54 H new ATOM 0 HB2 PRO A 110 6.107 -1.534 0.503 1.00 0.84 H new ATOM 0 HB3 PRO A 110 7.159 -2.568 -0.443 1.00 0.84 H new ATOM 0 HG2 PRO A 110 7.853 -0.047 1.075 1.00 0.51 H new ATOM 0 HG3 PRO A 110 8.800 -1.509 0.887 1.00 0.51 H new ATOM 0 HD2 PRO A 110 9.156 0.804 -0.681 1.00 0.59 H new ATOM 0 HD3 PRO A 110 9.712 -0.791 -1.148 1.00 0.59 H new ATOM 1225 N GLN A 111 4.330 0.203 -1.563 1.00 0.48 N ATOM 1226 CA GLN A 111 3.343 1.269 -1.757 1.00 0.61 C ATOM 1227 C GLN A 111 1.922 0.806 -1.408 1.00 0.42 C ATOM 1228 O GLN A 111 1.710 -0.366 -1.077 1.00 0.43 O ATOM 1229 CB GLN A 111 3.497 1.826 -3.193 1.00 1.16 C ATOM 1230 CG GLN A 111 3.355 0.838 -4.360 1.00 0.88 C ATOM 1231 CD GLN A 111 3.990 1.419 -5.627 1.00 1.39 C ATOM 1232 OE1 GLN A 111 3.371 2.116 -6.417 1.00 2.82 O ATOM 1233 NE2 GLN A 111 5.270 1.197 -5.843 1.00 1.40 N ATOM 0 H GLN A 111 3.948 -0.733 -1.700 1.00 0.48 H new ATOM 0 HA GLN A 111 3.530 2.088 -1.062 1.00 0.61 H new ATOM 0 HB2 GLN A 111 2.756 2.614 -3.328 1.00 1.16 H new ATOM 0 HB3 GLN A 111 4.478 2.295 -3.268 1.00 1.16 H new ATOM 0 HG2 GLN A 111 3.834 -0.108 -4.106 1.00 0.88 H new ATOM 0 HG3 GLN A 111 2.301 0.624 -4.538 1.00 0.88 H new ATOM 0 HE21 GLN A 111 5.804 0.618 -5.195 1.00 1.40 H new ATOM 0 HE22 GLN A 111 5.728 1.604 -6.658 1.00 1.40 H new ATOM 1242 N VAL A 112 0.940 1.715 -1.437 1.00 0.42 N ATOM 1243 CA VAL A 112 -0.455 1.382 -1.146 1.00 0.38 C ATOM 1244 C VAL A 112 -1.385 2.082 -2.127 1.00 0.42 C ATOM 1245 O VAL A 112 -1.174 3.244 -2.491 1.00 0.64 O ATOM 1246 CB VAL A 112 -0.798 1.657 0.333 1.00 0.36 C ATOM 1247 CG1 VAL A 112 -0.757 3.136 0.730 1.00 0.39 C ATOM 1248 CG2 VAL A 112 -2.163 1.080 0.721 1.00 0.36 C ATOM 0 H VAL A 112 1.092 2.698 -1.662 1.00 0.42 H new ATOM 0 HA VAL A 112 -0.603 0.312 -1.289 1.00 0.38 H new ATOM 0 HB VAL A 112 -0.006 1.150 0.884 1.00 0.36 H new ATOM 0 HG11 VAL A 112 -1.011 3.237 1.785 1.00 0.39 H new ATOM 0 HG12 VAL A 112 0.244 3.531 0.558 1.00 0.39 H new ATOM 0 HG13 VAL A 112 -1.475 3.694 0.129 1.00 0.39 H new ATOM 0 HG21 VAL A 112 -2.365 1.296 1.770 1.00 0.36 H new ATOM 0 HG22 VAL A 112 -2.938 1.532 0.102 1.00 0.36 H new ATOM 0 HG23 VAL A 112 -2.159 0.001 0.567 1.00 0.36 H new ATOM 1258 N TYR A 113 -2.405 1.341 -2.553 1.00 0.32 N ATOM 1259 CA TYR A 113 -3.493 1.828 -3.391 1.00 0.30 C ATOM 1260 C TYR A 113 -4.776 1.894 -2.567 1.00 0.30 C ATOM 1261 O TYR A 113 -5.160 0.902 -1.939 1.00 0.33 O ATOM 1262 CB TYR A 113 -3.669 0.933 -4.626 1.00 0.30 C ATOM 1263 CG TYR A 113 -2.489 0.931 -5.579 1.00 0.38 C ATOM 1264 CD1 TYR A 113 -1.311 0.250 -5.231 1.00 2.09 C ATOM 1265 CD2 TYR A 113 -2.575 1.574 -6.827 1.00 2.16 C ATOM 1266 CE1 TYR A 113 -0.212 0.229 -6.106 1.00 2.14 C ATOM 1267 CE2 TYR A 113 -1.476 1.556 -7.707 1.00 2.21 C ATOM 1268 CZ TYR A 113 -0.281 0.903 -7.340 1.00 0.70 C ATOM 1269 OH TYR A 113 0.797 0.926 -8.167 1.00 0.88 O ATOM 0 H TYR A 113 -2.498 0.353 -2.316 1.00 0.32 H new ATOM 0 HA TYR A 113 -3.254 2.830 -3.747 1.00 0.30 H new ATOM 0 HB2 TYR A 113 -3.853 -0.089 -4.294 1.00 0.30 H new ATOM 0 HB3 TYR A 113 -4.557 1.256 -5.169 1.00 0.30 H new ATOM 0 HD1 TYR A 113 -1.249 -0.262 -4.282 1.00 2.09 H new ATOM 0 HD2 TYR A 113 -3.485 2.082 -7.111 1.00 2.16 H new ATOM 0 HE1 TYR A 113 0.686 -0.304 -5.832 1.00 2.14 H new ATOM 0 HE2 TYR A 113 -1.548 2.045 -8.667 1.00 2.21 H new ATOM 0 HH TYR A 113 0.498 0.836 -9.096 1.00 0.88 H new ATOM 1279 N LEU A 114 -5.440 3.050 -2.584 1.00 0.31 N ATOM 1280 CA LEU A 114 -6.731 3.258 -1.926 1.00 0.34 C ATOM 1281 C LEU A 114 -7.839 3.418 -2.961 1.00 0.40 C ATOM 1282 O LEU A 114 -7.722 4.236 -3.874 1.00 0.42 O ATOM 1283 CB LEU A 114 -6.686 4.399 -0.899 1.00 0.34 C ATOM 1284 CG LEU A 114 -6.472 3.922 0.551 1.00 0.34 C ATOM 1285 CD1 LEU A 114 -5.128 3.248 0.777 1.00 0.33 C ATOM 1286 CD2 LEU A 114 -6.615 5.111 1.498 1.00 0.42 C ATOM 0 H LEU A 114 -5.091 3.881 -3.062 1.00 0.31 H new ATOM 0 HA LEU A 114 -6.964 2.366 -1.345 1.00 0.34 H new ATOM 0 HB2 LEU A 114 -5.884 5.086 -1.168 1.00 0.34 H new ATOM 0 HB3 LEU A 114 -7.618 4.961 -0.953 1.00 0.34 H new ATOM 0 HG LEU A 114 -7.233 3.168 0.752 1.00 0.34 H new ATOM 0 HD11 LEU A 114 -5.047 2.938 1.819 1.00 0.33 H new ATOM 0 HD12 LEU A 114 -5.046 2.374 0.131 1.00 0.33 H new ATOM 0 HD13 LEU A 114 -4.326 3.948 0.543 1.00 0.33 H new ATOM 0 HD21 LEU A 114 -6.464 4.778 2.525 1.00 0.42 H new ATOM 0 HD22 LEU A 114 -5.870 5.867 1.248 1.00 0.42 H new ATOM 0 HD23 LEU A 114 -7.613 5.538 1.398 1.00 0.42 H new ATOM 1298 N ASN A 115 -8.912 2.631 -2.806 1.00 0.44 N ATOM 1299 CA ASN A 115 -10.045 2.618 -3.748 1.00 0.50 C ATOM 1300 C ASN A 115 -9.605 2.270 -5.198 1.00 0.45 C ATOM 1301 O ASN A 115 -10.081 2.837 -6.182 1.00 0.52 O ATOM 1302 CB ASN A 115 -10.781 3.962 -3.594 1.00 0.59 C ATOM 1303 CG ASN A 115 -12.293 3.867 -3.627 1.00 0.73 C ATOM 1304 OD1 ASN A 115 -12.901 2.902 -4.062 1.00 0.87 O ATOM 1305 ND2 ASN A 115 -12.945 4.857 -3.076 1.00 0.83 N ATOM 0 H ASN A 115 -9.021 1.984 -2.025 1.00 0.44 H new ATOM 0 HA ASN A 115 -10.745 1.816 -3.512 1.00 0.50 H new ATOM 0 HB2 ASN A 115 -10.480 4.419 -2.651 1.00 0.59 H new ATOM 0 HB3 ASN A 115 -10.456 4.631 -4.390 1.00 0.59 H new ATOM 0 HD21 ASN A 115 -13.962 4.823 -3.009 1.00 0.83 H new ATOM 0 HD22 ASN A 115 -12.436 5.663 -2.713 1.00 0.83 H new ATOM 1312 N GLY A 116 -8.613 1.378 -5.317 1.00 0.40 N ATOM 1313 CA GLY A 116 -7.852 1.061 -6.526 1.00 0.37 C ATOM 1314 C GLY A 116 -6.867 2.124 -7.076 1.00 0.38 C ATOM 1315 O GLY A 116 -6.263 1.851 -8.111 1.00 0.57 O ATOM 0 H GLY A 116 -8.303 0.825 -4.518 1.00 0.40 H new ATOM 0 HA2 GLY A 116 -7.284 0.151 -6.332 1.00 0.37 H new ATOM 0 HA3 GLY A 116 -8.566 0.829 -7.316 1.00 0.37 H new ATOM 1319 N GLU A 117 -6.668 3.316 -6.487 1.00 0.39 N ATOM 1320 CA GLU A 117 -5.796 4.375 -7.041 1.00 0.51 C ATOM 1321 C GLU A 117 -4.498 4.524 -6.247 1.00 0.47 C ATOM 1322 O GLU A 117 -4.469 4.330 -5.034 1.00 0.36 O ATOM 1323 CB GLU A 117 -6.550 5.713 -7.126 1.00 0.68 C ATOM 1324 CG GLU A 117 -5.836 6.805 -7.915 1.00 0.97 C ATOM 1325 CD GLU A 117 -6.483 8.191 -7.793 1.00 1.15 C ATOM 1326 OE1 GLU A 117 -6.368 8.813 -6.709 1.00 1.70 O ATOM 1327 OE2 GLU A 117 -7.017 8.735 -8.791 1.00 1.97 O ATOM 0 H GLU A 117 -7.110 3.577 -5.606 1.00 0.39 H new ATOM 0 HA GLU A 117 -5.518 4.072 -8.051 1.00 0.51 H new ATOM 0 HB2 GLU A 117 -7.525 5.535 -7.580 1.00 0.68 H new ATOM 0 HB3 GLU A 117 -6.731 6.076 -6.114 1.00 0.68 H new ATOM 0 HG2 GLU A 117 -4.802 6.867 -7.575 1.00 0.97 H new ATOM 0 HG3 GLU A 117 -5.809 6.520 -8.967 1.00 0.97 H new ATOM 1334 N PHE A 118 -3.424 4.896 -6.943 1.00 0.59 N ATOM 1335 CA PHE A 118 -2.116 5.152 -6.343 1.00 0.53 C ATOM 1336 C PHE A 118 -2.054 6.505 -5.651 1.00 0.50 C ATOM 1337 O PHE A 118 -2.628 7.510 -6.063 1.00 0.66 O ATOM 1338 CB PHE A 118 -1.002 5.029 -7.376 1.00 0.70 C ATOM 1339 CG PHE A 118 0.384 5.461 -6.928 1.00 0.70 C ATOM 1340 CD1 PHE A 118 1.007 4.958 -5.761 1.00 2.11 C ATOM 1341 CD2 PHE A 118 1.072 6.374 -7.738 1.00 1.96 C ATOM 1342 CE1 PHE A 118 2.347 5.279 -5.489 1.00 2.24 C ATOM 1343 CE2 PHE A 118 2.395 6.732 -7.434 1.00 2.24 C ATOM 1344 CZ PHE A 118 3.043 6.159 -6.328 1.00 1.50 C ATOM 0 H PHE A 118 -3.439 5.030 -7.954 1.00 0.59 H new ATOM 0 HA PHE A 118 -1.967 4.388 -5.580 1.00 0.53 H new ATOM 0 HB2 PHE A 118 -0.948 3.989 -7.699 1.00 0.70 H new ATOM 0 HB3 PHE A 118 -1.279 5.620 -8.249 1.00 0.70 H new ATOM 0 HD1 PHE A 118 0.453 4.328 -5.081 1.00 2.11 H new ATOM 0 HD2 PHE A 118 0.583 6.804 -8.599 1.00 1.96 H new ATOM 0 HE1 PHE A 118 2.842 4.847 -4.632 1.00 2.24 H new ATOM 0 HE2 PHE A 118 2.915 7.449 -8.052 1.00 2.24 H new ATOM 0 HZ PHE A 118 4.077 6.396 -6.124 1.00 1.50 H new ATOM 1354 N VAL A 119 -1.373 6.446 -4.521 1.00 0.36 N ATOM 1355 CA VAL A 119 -1.762 7.131 -3.303 1.00 0.42 C ATOM 1356 C VAL A 119 -0.525 7.347 -2.447 1.00 0.55 C ATOM 1357 O VAL A 119 -0.301 8.475 -2.011 1.00 0.75 O ATOM 1358 CB VAL A 119 -2.862 6.249 -2.683 1.00 0.67 C ATOM 1359 CG1 VAL A 119 -2.832 6.002 -1.196 1.00 0.66 C ATOM 1360 CG2 VAL A 119 -4.197 6.899 -3.041 1.00 1.67 C ATOM 0 H VAL A 119 -0.513 5.907 -4.423 1.00 0.36 H new ATOM 0 HA VAL A 119 -2.170 8.132 -3.443 1.00 0.42 H new ATOM 0 HB VAL A 119 -2.695 5.255 -3.099 1.00 0.67 H new ATOM 0 HG11 VAL A 119 -3.671 5.364 -0.916 1.00 0.66 H new ATOM 0 HG12 VAL A 119 -1.897 5.510 -0.928 1.00 0.66 H new ATOM 0 HG13 VAL A 119 -2.907 6.952 -0.668 1.00 0.66 H new ATOM 0 HG21 VAL A 119 -5.013 6.309 -2.623 1.00 1.67 H new ATOM 0 HG22 VAL A 119 -4.232 7.908 -2.631 1.00 1.67 H new ATOM 0 HG23 VAL A 119 -4.301 6.944 -4.125 1.00 1.67 H new ATOM 1370 N GLY A 120 0.373 6.355 -2.393 1.00 0.56 N ATOM 1371 CA GLY A 120 1.797 6.660 -2.317 1.00 0.73 C ATOM 1372 C GLY A 120 2.742 5.491 -2.026 1.00 0.61 C ATOM 1373 O GLY A 120 2.303 4.420 -1.601 1.00 0.55 O ATOM 0 H GLY A 120 0.143 5.361 -2.400 1.00 0.56 H new ATOM 0 HA2 GLY A 120 2.098 7.112 -3.262 1.00 0.73 H new ATOM 0 HA3 GLY A 120 1.942 7.414 -1.543 1.00 0.73 H new ATOM 1377 N GLY A 121 4.043 5.703 -2.270 1.00 0.67 N ATOM 1378 CA GLY A 121 5.129 4.801 -1.857 1.00 0.56 C ATOM 1379 C GLY A 121 5.720 5.190 -0.503 1.00 0.50 C ATOM 1380 O GLY A 121 5.432 6.275 -0.006 1.00 0.54 O ATOM 0 H GLY A 121 4.378 6.526 -2.772 1.00 0.67 H new ATOM 0 HA2 GLY A 121 4.751 3.780 -1.807 1.00 0.56 H new ATOM 0 HA3 GLY A 121 5.915 4.813 -2.612 1.00 0.56 H new ATOM 1384 N CYS A 122 6.514 4.319 0.122 1.00 0.48 N ATOM 1385 CA CYS A 122 6.926 4.466 1.529 1.00 0.48 C ATOM 1386 C CYS A 122 7.562 5.826 1.898 1.00 0.55 C ATOM 1387 O CYS A 122 7.201 6.393 2.928 1.00 0.68 O ATOM 1388 CB CYS A 122 7.851 3.288 1.868 1.00 0.51 C ATOM 1389 SG CYS A 122 8.298 3.254 3.628 1.00 0.75 S ATOM 0 H CYS A 122 6.893 3.487 -0.330 1.00 0.48 H new ATOM 0 HA CYS A 122 6.023 4.450 2.139 1.00 0.48 H new ATOM 0 HB2 CYS A 122 7.359 2.353 1.601 1.00 0.51 H new ATOM 0 HB3 CYS A 122 8.757 3.354 1.266 1.00 0.51 H new ATOM 0 HG CYS A 122 9.078 2.239 3.858 1.00 0.75 H new ATOM 1395 N ASP A 123 8.434 6.401 1.061 1.00 0.61 N ATOM 1396 CA ASP A 123 9.047 7.713 1.352 1.00 0.69 C ATOM 1397 C ASP A 123 8.025 8.861 1.301 1.00 0.68 C ATOM 1398 O ASP A 123 8.150 9.850 2.023 1.00 0.79 O ATOM 1399 CB ASP A 123 10.184 7.987 0.357 1.00 0.83 C ATOM 1400 CG ASP A 123 11.086 9.139 0.809 1.00 1.22 C ATOM 1401 OD1 ASP A 123 11.573 9.106 1.961 1.00 2.39 O ATOM 1402 OD2 ASP A 123 11.387 10.051 -0.003 1.00 1.89 O ATOM 0 H ASP A 123 8.733 5.985 0.179 1.00 0.61 H new ATOM 0 HA ASP A 123 9.439 7.671 2.368 1.00 0.69 H new ATOM 0 HB2 ASP A 123 10.784 7.085 0.236 1.00 0.83 H new ATOM 0 HB3 ASP A 123 9.761 8.221 -0.620 1.00 0.83 H new ATOM 1407 N ILE A 124 6.990 8.702 0.468 1.00 0.60 N ATOM 1408 CA ILE A 124 5.879 9.648 0.303 1.00 0.58 C ATOM 1409 C ILE A 124 4.869 9.491 1.436 1.00 0.49 C ATOM 1410 O ILE A 124 4.446 10.474 2.042 1.00 0.49 O ATOM 1411 CB ILE A 124 5.204 9.458 -1.066 1.00 0.61 C ATOM 1412 CG1 ILE A 124 6.209 9.590 -2.221 1.00 0.65 C ATOM 1413 CG2 ILE A 124 4.050 10.460 -1.222 1.00 0.69 C ATOM 1414 CD1 ILE A 124 7.093 10.840 -2.216 1.00 1.46 C ATOM 0 H ILE A 124 6.899 7.882 -0.131 1.00 0.60 H new ATOM 0 HA ILE A 124 6.279 10.661 0.344 1.00 0.58 H new ATOM 0 HB ILE A 124 4.803 8.446 -1.109 1.00 0.61 H new ATOM 0 HG12 ILE A 124 6.857 8.714 -2.212 1.00 0.65 H new ATOM 0 HG13 ILE A 124 5.655 9.567 -3.160 1.00 0.65 H new ATOM 0 HG21 ILE A 124 3.576 10.321 -2.194 1.00 0.69 H new ATOM 0 HG22 ILE A 124 3.316 10.295 -0.433 1.00 0.69 H new ATOM 0 HG23 ILE A 124 4.438 11.476 -1.150 1.00 0.69 H new ATOM 0 HD11 ILE A 124 7.759 10.818 -3.079 1.00 1.46 H new ATOM 0 HD12 ILE A 124 6.465 11.730 -2.264 1.00 1.46 H new ATOM 0 HD13 ILE A 124 7.685 10.863 -1.301 1.00 1.46 H new ATOM 1426 N LEU A 125 4.531 8.243 1.762 1.00 0.42 N ATOM 1427 CA LEU A 125 3.661 7.877 2.877 1.00 0.35 C ATOM 1428 C LEU A 125 4.169 8.485 4.192 1.00 0.36 C ATOM 1429 O LEU A 125 3.357 8.916 5.005 1.00 0.37 O ATOM 1430 CB LEU A 125 3.592 6.338 2.977 1.00 0.32 C ATOM 1431 CG LEU A 125 2.334 5.837 3.713 1.00 0.35 C ATOM 1432 CD1 LEU A 125 1.095 5.917 2.817 1.00 0.45 C ATOM 1433 CD2 LEU A 125 2.499 4.376 4.126 1.00 0.38 C ATOM 0 H LEU A 125 4.867 7.434 1.240 1.00 0.42 H new ATOM 0 HA LEU A 125 2.662 8.274 2.698 1.00 0.35 H new ATOM 0 HB2 LEU A 125 3.612 5.913 1.973 1.00 0.32 H new ATOM 0 HB3 LEU A 125 4.479 5.973 3.495 1.00 0.32 H new ATOM 0 HG LEU A 125 2.207 6.476 4.587 1.00 0.35 H new ATOM 0 HD11 LEU A 125 0.225 5.556 3.366 1.00 0.45 H new ATOM 0 HD12 LEU A 125 0.930 6.951 2.515 1.00 0.45 H new ATOM 0 HD13 LEU A 125 1.246 5.300 1.931 1.00 0.45 H new ATOM 0 HD21 LEU A 125 1.601 4.041 4.644 1.00 0.38 H new ATOM 0 HD22 LEU A 125 2.656 3.763 3.239 1.00 0.38 H new ATOM 0 HD23 LEU A 125 3.358 4.280 4.790 1.00 0.38 H new ATOM 1445 N LEU A 126 5.494 8.600 4.355 1.00 0.42 N ATOM 1446 CA LEU A 126 6.120 9.281 5.493 1.00 0.52 C ATOM 1447 C LEU A 126 5.728 10.765 5.508 1.00 0.61 C ATOM 1448 O LEU A 126 5.169 11.245 6.489 1.00 1.14 O ATOM 1449 CB LEU A 126 7.660 9.096 5.458 1.00 0.64 C ATOM 1450 CG LEU A 126 8.329 8.620 6.759 1.00 0.66 C ATOM 1451 CD1 LEU A 126 8.072 9.585 7.913 1.00 0.76 C ATOM 1452 CD2 LEU A 126 7.881 7.219 7.169 1.00 0.63 C ATOM 0 H LEU A 126 6.168 8.218 3.692 1.00 0.42 H new ATOM 0 HA LEU A 126 5.756 8.832 6.417 1.00 0.52 H new ATOM 0 HB2 LEU A 126 7.899 8.380 4.671 1.00 0.64 H new ATOM 0 HB3 LEU A 126 8.110 10.046 5.172 1.00 0.64 H new ATOM 0 HG LEU A 126 9.398 8.591 6.546 1.00 0.66 H new ATOM 0 HD11 LEU A 126 8.561 9.214 8.814 1.00 0.76 H new ATOM 0 HD12 LEU A 126 8.472 10.567 7.662 1.00 0.76 H new ATOM 0 HD13 LEU A 126 6.999 9.664 8.089 1.00 0.76 H new ATOM 0 HD21 LEU A 126 8.383 6.932 8.093 1.00 0.63 H new ATOM 0 HD22 LEU A 126 6.802 7.213 7.325 1.00 0.63 H new ATOM 0 HD23 LEU A 126 8.137 6.510 6.382 1.00 0.63 H new ATOM 1464 N GLN A 127 5.926 11.488 4.400 1.00 0.54 N ATOM 1465 CA GLN A 127 5.556 12.903 4.310 1.00 0.58 C ATOM 1466 C GLN A 127 4.070 13.117 4.619 1.00 0.56 C ATOM 1467 O GLN A 127 3.717 13.940 5.468 1.00 0.63 O ATOM 1468 CB GLN A 127 5.829 13.453 2.904 1.00 0.65 C ATOM 1469 CG GLN A 127 7.194 13.111 2.289 1.00 0.73 C ATOM 1470 CD GLN A 127 8.366 13.229 3.259 1.00 0.77 C ATOM 1471 OE1 GLN A 127 8.602 14.264 3.875 1.00 0.89 O ATOM 1472 NE2 GLN A 127 9.111 12.163 3.449 1.00 0.75 N ATOM 0 H GLN A 127 6.343 11.112 3.548 1.00 0.54 H new ATOM 0 HA GLN A 127 6.163 13.430 5.046 1.00 0.58 H new ATOM 0 HB2 GLN A 127 5.051 13.083 2.236 1.00 0.65 H new ATOM 0 HB3 GLN A 127 5.732 14.538 2.937 1.00 0.65 H new ATOM 0 HG2 GLN A 127 7.160 12.093 1.901 1.00 0.73 H new ATOM 0 HG3 GLN A 127 7.372 13.770 1.440 1.00 0.73 H new ATOM 0 HE21 GLN A 127 8.913 11.304 2.936 1.00 0.75 H new ATOM 0 HE22 GLN A 127 9.887 12.195 4.110 1.00 0.75 H new ATOM 1481 N MET A 128 3.212 12.339 3.955 1.00 0.53 N ATOM 1482 CA MET A 128 1.763 12.456 4.000 1.00 0.52 C ATOM 1483 C MET A 128 1.155 12.023 5.335 1.00 0.48 C ATOM 1484 O MET A 128 0.137 12.582 5.735 1.00 0.50 O ATOM 1485 CB MET A 128 1.195 11.580 2.890 1.00 0.52 C ATOM 1486 CG MET A 128 1.567 12.066 1.487 1.00 0.57 C ATOM 1487 SD MET A 128 0.714 11.161 0.176 1.00 0.60 S ATOM 1488 CE MET A 128 -0.922 11.856 0.461 1.00 0.64 C ATOM 0 H MET A 128 3.526 11.582 3.348 1.00 0.53 H new ATOM 0 HA MET A 128 1.510 13.508 3.873 1.00 0.52 H new ATOM 0 HB2 MET A 128 1.555 10.560 3.021 1.00 0.52 H new ATOM 0 HB3 MET A 128 0.109 11.549 2.980 1.00 0.52 H new ATOM 0 HG2 MET A 128 1.331 13.127 1.402 1.00 0.57 H new ATOM 0 HG3 MET A 128 2.644 11.967 1.348 1.00 0.57 H new ATOM 0 HE1 MET A 128 -1.616 11.470 -0.286 1.00 0.64 H new ATOM 0 HE2 MET A 128 -1.268 11.577 1.456 1.00 0.64 H new ATOM 0 HE3 MET A 128 -0.874 12.942 0.385 1.00 0.64 H new ATOM 1498 N HIS A 129 1.771 11.068 6.037 1.00 0.44 N ATOM 1499 CA HIS A 129 1.397 10.698 7.422 1.00 0.43 C ATOM 1500 C HIS A 129 1.507 11.905 8.336 1.00 0.54 C ATOM 1501 O HIS A 129 0.602 12.255 9.093 1.00 0.58 O ATOM 1502 CB HIS A 129 2.350 9.648 8.002 1.00 0.38 C ATOM 1503 CG HIS A 129 1.977 9.106 9.360 1.00 0.38 C ATOM 1504 ND1 HIS A 129 0.761 8.663 9.831 1.00 0.39 N ATOM 1505 CD2 HIS A 129 2.861 8.968 10.383 1.00 0.45 C ATOM 1506 CE1 HIS A 129 0.938 8.249 11.098 1.00 0.43 C ATOM 1507 NE2 HIS A 129 2.209 8.436 11.497 1.00 0.47 N ATOM 0 H HIS A 129 2.549 10.522 5.666 1.00 0.44 H new ATOM 0 HA HIS A 129 0.379 10.312 7.373 1.00 0.43 H new ATOM 0 HB2 HIS A 129 2.412 8.814 7.303 1.00 0.38 H new ATOM 0 HB3 HIS A 129 3.347 10.085 8.066 1.00 0.38 H new ATOM 0 HD2 HIS A 129 3.908 9.230 10.341 1.00 0.45 H new ATOM 0 HE1 HIS A 129 0.161 7.822 11.715 1.00 0.43 H new ATOM 0 HE2 HIS A 129 2.609 8.233 12.413 1.00 0.47 H new ATOM 1515 N GLN A 130 2.688 12.506 8.255 1.00 0.64 N ATOM 1516 CA GLN A 130 3.214 13.395 9.271 1.00 0.74 C ATOM 1517 C GLN A 130 2.838 14.865 8.979 1.00 0.88 C ATOM 1518 O GLN A 130 3.067 15.766 9.787 1.00 1.27 O ATOM 1519 CB GLN A 130 4.702 13.066 9.408 1.00 0.85 C ATOM 1520 CG GLN A 130 4.908 11.585 9.722 1.00 0.83 C ATOM 1521 CD GLN A 130 6.023 11.228 10.696 1.00 1.12 C ATOM 1522 OE1 GLN A 130 5.798 10.590 11.721 1.00 1.39 O ATOM 1523 NE2 GLN A 130 7.258 11.524 10.366 1.00 1.32 N ATOM 0 H GLN A 130 3.317 12.383 7.461 1.00 0.64 H new ATOM 0 HA GLN A 130 2.765 13.244 10.253 1.00 0.74 H new ATOM 0 HB2 GLN A 130 5.221 13.321 8.484 1.00 0.85 H new ATOM 0 HB3 GLN A 130 5.141 13.674 10.199 1.00 0.85 H new ATOM 0 HG2 GLN A 130 3.973 11.191 10.120 1.00 0.83 H new ATOM 0 HG3 GLN A 130 5.100 11.064 8.784 1.00 0.83 H new ATOM 0 HE21 GLN A 130 7.445 12.054 9.515 1.00 1.32 H new ATOM 0 HE22 GLN A 130 8.031 11.224 10.961 1.00 1.32 H new ATOM 1532 N ASN A 131 2.225 15.080 7.810 1.00 0.72 N ATOM 1533 CA ASN A 131 1.390 16.204 7.405 1.00 0.79 C ATOM 1534 C ASN A 131 -0.132 15.937 7.589 1.00 0.79 C ATOM 1535 O ASN A 131 -0.852 16.832 8.035 1.00 1.01 O ATOM 1536 CB ASN A 131 1.796 16.484 5.967 1.00 0.80 C ATOM 1537 CG ASN A 131 1.005 17.604 5.355 1.00 1.26 C ATOM 1538 OD1 ASN A 131 0.632 18.581 5.986 1.00 2.51 O ATOM 1539 ND2 ASN A 131 0.691 17.458 4.104 1.00 1.09 N ATOM 0 H ASN A 131 2.313 14.402 7.053 1.00 0.72 H new ATOM 0 HA ASN A 131 1.549 17.077 8.038 1.00 0.79 H new ATOM 0 HB2 ASN A 131 2.857 16.732 5.934 1.00 0.80 H new ATOM 0 HB3 ASN A 131 1.661 15.581 5.372 1.00 0.80 H new ATOM 0 HD21 ASN A 131 0.125 18.165 3.634 1.00 1.09 H new ATOM 0 HD22 ASN A 131 1.010 16.636 3.591 1.00 1.09 H new ATOM 1546 N GLY A 132 -0.625 14.705 7.383 1.00 0.63 N ATOM 1547 CA GLY A 132 -2.014 14.286 7.666 1.00 0.62 C ATOM 1548 C GLY A 132 -2.905 14.151 6.424 1.00 0.59 C ATOM 1549 O GLY A 132 -4.106 13.938 6.530 1.00 0.61 O ATOM 0 H GLY A 132 -0.055 13.949 7.004 1.00 0.63 H new ATOM 0 HA2 GLY A 132 -1.992 13.329 8.187 1.00 0.62 H new ATOM 0 HA3 GLY A 132 -2.467 15.009 8.345 1.00 0.62 H new ATOM 1553 N ASP A 133 -2.341 14.193 5.220 1.00 0.59 N ATOM 1554 CA ASP A 133 -3.099 14.086 3.962 1.00 0.62 C ATOM 1555 C ASP A 133 -3.635 12.670 3.700 1.00 0.56 C ATOM 1556 O ASP A 133 -4.505 12.480 2.849 1.00 0.65 O ATOM 1557 CB ASP A 133 -2.196 14.540 2.809 1.00 0.68 C ATOM 1558 CG ASP A 133 -2.859 15.633 1.969 1.00 0.74 C ATOM 1559 OD1 ASP A 133 -3.006 16.766 2.475 1.00 1.66 O ATOM 1560 OD2 ASP A 133 -3.255 15.354 0.811 1.00 1.85 O ATOM 0 H ASP A 133 -1.336 14.303 5.081 1.00 0.59 H new ATOM 0 HA ASP A 133 -3.976 14.728 4.041 1.00 0.62 H new ATOM 0 HB2 ASP A 133 -1.253 14.911 3.210 1.00 0.68 H new ATOM 0 HB3 ASP A 133 -1.959 13.686 2.174 1.00 0.68 H new ATOM 1565 N LEU A 134 -3.151 11.676 4.455 1.00 0.45 N ATOM 1566 CA LEU A 134 -3.636 10.289 4.367 1.00 0.41 C ATOM 1567 C LEU A 134 -5.037 10.152 4.969 1.00 0.37 C ATOM 1568 O LEU A 134 -5.807 9.260 4.638 1.00 0.37 O ATOM 1569 CB LEU A 134 -2.690 9.325 5.113 1.00 0.38 C ATOM 1570 CG LEU A 134 -1.241 9.289 4.613 1.00 0.41 C ATOM 1571 CD1 LEU A 134 -0.443 8.239 5.385 1.00 0.41 C ATOM 1572 CD2 LEU A 134 -1.150 8.973 3.123 1.00 0.45 C ATOM 0 H LEU A 134 -2.412 11.809 5.145 1.00 0.45 H new ATOM 0 HA LEU A 134 -3.667 10.031 3.308 1.00 0.41 H new ATOM 0 HB2 LEU A 134 -2.683 9.598 6.168 1.00 0.38 H new ATOM 0 HB3 LEU A 134 -3.102 8.318 5.046 1.00 0.38 H new ATOM 0 HG LEU A 134 -0.826 10.283 4.779 1.00 0.41 H new ATOM 0 HD11 LEU A 134 0.584 8.223 5.021 1.00 0.41 H new ATOM 0 HD12 LEU A 134 -0.448 8.486 6.447 1.00 0.41 H new ATOM 0 HD13 LEU A 134 -0.895 7.258 5.239 1.00 0.41 H new ATOM 0 HD21 LEU A 134 -0.104 8.959 2.817 1.00 0.45 H new ATOM 0 HD22 LEU A 134 -1.598 7.998 2.930 1.00 0.45 H new ATOM 0 HD23 LEU A 134 -1.683 9.736 2.556 1.00 0.45 H new ATOM 1584 N VAL A 135 -5.343 11.065 5.879 1.00 0.36 N ATOM 1585 CA VAL A 135 -6.507 11.087 6.756 1.00 0.35 C ATOM 1586 C VAL A 135 -7.729 11.564 5.964 1.00 0.39 C ATOM 1587 O VAL A 135 -8.825 11.039 6.110 1.00 0.45 O ATOM 1588 CB VAL A 135 -6.151 12.016 7.922 1.00 0.36 C ATOM 1589 CG1 VAL A 135 -7.084 11.839 9.092 1.00 0.40 C ATOM 1590 CG2 VAL A 135 -4.808 11.593 8.527 1.00 0.35 C ATOM 0 H VAL A 135 -4.739 11.872 6.036 1.00 0.36 H new ATOM 0 HA VAL A 135 -6.762 10.102 7.147 1.00 0.35 H new ATOM 0 HB VAL A 135 -6.176 13.024 7.508 1.00 0.36 H new ATOM 0 HG11 VAL A 135 -6.794 12.517 9.895 1.00 0.40 H new ATOM 0 HG12 VAL A 135 -8.105 12.061 8.780 1.00 0.40 H new ATOM 0 HG13 VAL A 135 -7.029 10.810 9.449 1.00 0.40 H new ATOM 0 HG21 VAL A 135 -4.558 12.255 9.356 1.00 0.35 H new ATOM 0 HG22 VAL A 135 -4.879 10.568 8.891 1.00 0.35 H new ATOM 0 HG23 VAL A 135 -4.030 11.655 7.766 1.00 0.35 H new ATOM 1600 N GLU A 136 -7.520 12.494 5.029 1.00 0.41 N ATOM 1601 CA GLU A 136 -8.522 12.936 4.050 1.00 0.45 C ATOM 1602 C GLU A 136 -8.822 11.841 3.020 1.00 0.45 C ATOM 1603 O GLU A 136 -9.973 11.640 2.626 1.00 0.54 O ATOM 1604 CB GLU A 136 -7.986 14.177 3.322 1.00 0.56 C ATOM 1605 CG GLU A 136 -7.672 15.341 4.261 1.00 1.07 C ATOM 1606 CD GLU A 136 -8.921 15.901 4.959 1.00 1.52 C ATOM 1607 OE1 GLU A 136 -9.781 16.513 4.280 1.00 2.58 O ATOM 1608 OE2 GLU A 136 -9.058 15.756 6.198 1.00 2.12 O ATOM 0 H GLU A 136 -6.626 12.975 4.927 1.00 0.41 H new ATOM 0 HA GLU A 136 -9.446 13.165 4.581 1.00 0.45 H new ATOM 0 HB2 GLU A 136 -7.083 13.907 2.775 1.00 0.56 H new ATOM 0 HB3 GLU A 136 -8.720 14.502 2.585 1.00 0.56 H new ATOM 0 HG2 GLU A 136 -6.958 15.010 5.015 1.00 1.07 H new ATOM 0 HG3 GLU A 136 -7.191 16.138 3.695 1.00 1.07 H new ATOM 1615 N GLU A 137 -7.781 11.102 2.635 1.00 0.43 N ATOM 1616 CA GLU A 137 -7.888 9.937 1.745 1.00 0.46 C ATOM 1617 C GLU A 137 -8.641 8.768 2.412 1.00 0.45 C ATOM 1618 O GLU A 137 -9.480 8.138 1.776 1.00 0.53 O ATOM 1619 CB GLU A 137 -6.486 9.529 1.249 1.00 0.51 C ATOM 1620 CG GLU A 137 -6.498 8.737 -0.076 1.00 0.73 C ATOM 1621 CD GLU A 137 -6.904 9.555 -1.318 1.00 0.62 C ATOM 1622 OE1 GLU A 137 -7.052 10.797 -1.252 1.00 1.73 O ATOM 1623 OE2 GLU A 137 -7.095 8.971 -2.413 1.00 1.95 O ATOM 0 H GLU A 137 -6.825 11.295 2.935 1.00 0.43 H new ATOM 0 HA GLU A 137 -8.486 10.216 0.877 1.00 0.46 H new ATOM 0 HB2 GLU A 137 -5.882 10.427 1.119 1.00 0.51 H new ATOM 0 HB3 GLU A 137 -6.001 8.927 2.017 1.00 0.51 H new ATOM 0 HG2 GLU A 137 -5.505 8.320 -0.242 1.00 0.73 H new ATOM 0 HG3 GLU A 137 -7.183 7.896 0.027 1.00 0.73 H new ATOM 1630 N LEU A 138 -8.442 8.530 3.715 1.00 0.41 N ATOM 1631 CA LEU A 138 -9.234 7.567 4.497 1.00 0.40 C ATOM 1632 C LEU A 138 -10.722 7.958 4.557 1.00 0.41 C ATOM 1633 O LEU A 138 -11.586 7.095 4.383 1.00 0.46 O ATOM 1634 CB LEU A 138 -8.624 7.427 5.907 1.00 0.38 C ATOM 1635 CG LEU A 138 -7.345 6.568 5.965 1.00 0.42 C ATOM 1636 CD1 LEU A 138 -6.681 6.714 7.335 1.00 0.46 C ATOM 1637 CD2 LEU A 138 -7.631 5.078 5.748 1.00 0.44 C ATOM 0 H LEU A 138 -7.722 9.003 4.262 1.00 0.41 H new ATOM 0 HA LEU A 138 -9.195 6.599 3.998 1.00 0.40 H new ATOM 0 HB2 LEU A 138 -8.397 8.421 6.292 1.00 0.38 H new ATOM 0 HB3 LEU A 138 -9.370 6.991 6.571 1.00 0.38 H new ATOM 0 HG LEU A 138 -6.696 6.925 5.165 1.00 0.42 H new ATOM 0 HD11 LEU A 138 -5.778 6.104 7.369 1.00 0.46 H new ATOM 0 HD12 LEU A 138 -6.420 7.759 7.503 1.00 0.46 H new ATOM 0 HD13 LEU A 138 -7.371 6.383 8.111 1.00 0.46 H new ATOM 0 HD21 LEU A 138 -6.698 4.517 5.798 1.00 0.44 H new ATOM 0 HD22 LEU A 138 -8.311 4.721 6.522 1.00 0.44 H new ATOM 0 HD23 LEU A 138 -8.088 4.934 4.769 1.00 0.44 H new ATOM 1649 N LYS A 139 -11.043 9.252 4.696 1.00 0.44 N ATOM 1650 CA LYS A 139 -12.431 9.766 4.675 1.00 0.56 C ATOM 1651 C LYS A 139 -13.121 9.554 3.313 1.00 0.67 C ATOM 1652 O LYS A 139 -14.323 9.283 3.277 1.00 0.79 O ATOM 1653 CB LYS A 139 -12.449 11.241 5.127 1.00 0.69 C ATOM 1654 CG LYS A 139 -12.021 11.417 6.593 1.00 0.66 C ATOM 1655 CD LYS A 139 -11.634 12.872 6.911 1.00 0.63 C ATOM 1656 CE LYS A 139 -10.634 12.920 8.072 1.00 0.64 C ATOM 1657 NZ LYS A 139 -10.197 14.312 8.348 1.00 0.87 N ATOM 0 H LYS A 139 -10.344 9.983 4.828 1.00 0.44 H new ATOM 0 HA LYS A 139 -13.020 9.186 5.385 1.00 0.56 H new ATOM 0 HB2 LYS A 139 -11.785 11.821 4.487 1.00 0.69 H new ATOM 0 HB3 LYS A 139 -13.453 11.645 4.995 1.00 0.69 H new ATOM 0 HG2 LYS A 139 -12.835 11.107 7.248 1.00 0.66 H new ATOM 0 HG3 LYS A 139 -11.175 10.763 6.805 1.00 0.66 H new ATOM 0 HD2 LYS A 139 -11.198 13.340 6.028 1.00 0.63 H new ATOM 0 HD3 LYS A 139 -12.526 13.444 7.167 1.00 0.63 H new ATOM 0 HE2 LYS A 139 -11.090 12.495 8.966 1.00 0.64 H new ATOM 0 HE3 LYS A 139 -9.767 12.304 7.834 1.00 0.64 H new ATOM 0 HZ1 LYS A 139 -9.471 14.307 9.092 1.00 0.87 H new ATOM 0 HZ2 LYS A 139 -9.802 14.730 7.482 1.00 0.87 H new ATOM 0 HZ3 LYS A 139 -11.012 14.876 8.664 1.00 0.87 H new ATOM 1671 N LYS A 140 -12.375 9.527 2.196 1.00 0.70 N ATOM 1672 CA LYS A 140 -12.882 9.120 0.864 1.00 0.86 C ATOM 1673 C LYS A 140 -13.250 7.633 0.765 1.00 0.95 C ATOM 1674 O LYS A 140 -14.033 7.269 -0.109 1.00 1.29 O ATOM 1675 CB LYS A 140 -11.871 9.488 -0.232 1.00 0.97 C ATOM 1676 CG LYS A 140 -11.758 11.006 -0.420 1.00 1.03 C ATOM 1677 CD LYS A 140 -10.527 11.428 -1.232 1.00 1.21 C ATOM 1678 CE LYS A 140 -10.340 10.639 -2.530 1.00 2.03 C ATOM 1679 NZ LYS A 140 -9.075 11.017 -3.193 1.00 2.06 N ATOM 0 H LYS A 140 -11.389 9.790 2.187 1.00 0.70 H new ATOM 0 HA LYS A 140 -13.809 9.674 0.717 1.00 0.86 H new ATOM 0 HB2 LYS A 140 -10.893 9.080 0.024 1.00 0.97 H new ATOM 0 HB3 LYS A 140 -12.172 9.027 -1.173 1.00 0.97 H new ATOM 0 HG2 LYS A 140 -12.656 11.371 -0.919 1.00 1.03 H new ATOM 0 HG3 LYS A 140 -11.720 11.484 0.559 1.00 1.03 H new ATOM 0 HD2 LYS A 140 -10.608 12.488 -1.471 1.00 1.21 H new ATOM 0 HD3 LYS A 140 -9.637 11.308 -0.614 1.00 1.21 H new ATOM 0 HE2 LYS A 140 -10.339 9.570 -2.315 1.00 2.03 H new ATOM 0 HE3 LYS A 140 -11.178 10.828 -3.200 1.00 2.03 H new ATOM 0 HZ1 LYS A 140 -8.777 10.254 -3.833 1.00 2.06 H new ATOM 0 HZ2 LYS A 140 -9.217 11.891 -3.739 1.00 2.06 H new ATOM 0 HZ3 LYS A 140 -8.340 11.173 -2.474 1.00 2.06 H new ATOM 1693 N LEU A 141 -12.777 6.782 1.680 1.00 0.73 N ATOM 1694 CA LEU A 141 -13.226 5.404 1.880 1.00 0.74 C ATOM 1695 C LEU A 141 -14.240 5.268 3.040 1.00 0.71 C ATOM 1696 O LEU A 141 -14.691 4.161 3.355 1.00 0.84 O ATOM 1697 CB LEU A 141 -11.975 4.543 2.111 1.00 0.73 C ATOM 1698 CG LEU A 141 -11.205 4.059 0.868 1.00 0.75 C ATOM 1699 CD1 LEU A 141 -12.071 3.237 -0.085 1.00 1.14 C ATOM 1700 CD2 LEU A 141 -10.547 5.197 0.096 1.00 1.49 C ATOM 0 H LEU A 141 -12.037 7.048 2.330 1.00 0.73 H new ATOM 0 HA LEU A 141 -13.765 5.064 0.996 1.00 0.74 H new ATOM 0 HB2 LEU A 141 -11.285 5.113 2.733 1.00 0.73 H new ATOM 0 HB3 LEU A 141 -12.272 3.666 2.685 1.00 0.73 H new ATOM 0 HG LEU A 141 -10.422 3.414 1.267 1.00 0.75 H new ATOM 0 HD11 LEU A 141 -11.474 2.924 -0.941 1.00 1.14 H new ATOM 0 HD12 LEU A 141 -12.449 2.357 0.435 1.00 1.14 H new ATOM 0 HD13 LEU A 141 -12.909 3.843 -0.429 1.00 1.14 H new ATOM 0 HD21 LEU A 141 -10.020 4.793 -0.768 1.00 1.49 H new ATOM 0 HD22 LEU A 141 -11.311 5.898 -0.240 1.00 1.49 H new ATOM 0 HD23 LEU A 141 -9.839 5.714 0.744 1.00 1.49 H new ATOM 1712 N GLY A 142 -14.578 6.382 3.694 1.00 0.63 N ATOM 1713 CA GLY A 142 -15.418 6.454 4.892 1.00 0.62 C ATOM 1714 C GLY A 142 -14.721 6.015 6.186 1.00 0.55 C ATOM 1715 O GLY A 142 -15.378 5.942 7.226 1.00 0.72 O ATOM 0 H GLY A 142 -14.259 7.301 3.388 1.00 0.63 H new ATOM 0 HA2 GLY A 142 -15.769 7.479 5.013 1.00 0.62 H new ATOM 0 HA3 GLY A 142 -16.300 5.831 4.740 1.00 0.62 H new ATOM 1719 N ILE A 143 -13.421 5.700 6.151 1.00 0.43 N ATOM 1720 CA ILE A 143 -12.690 5.141 7.294 1.00 0.39 C ATOM 1721 C ILE A 143 -12.264 6.243 8.264 1.00 0.37 C ATOM 1722 O ILE A 143 -11.710 7.275 7.876 1.00 0.40 O ATOM 1723 CB ILE A 143 -11.474 4.282 6.869 1.00 0.40 C ATOM 1724 CG1 ILE A 143 -11.879 3.148 5.898 1.00 0.45 C ATOM 1725 CG2 ILE A 143 -10.822 3.700 8.143 1.00 0.48 C ATOM 1726 CD1 ILE A 143 -10.692 2.419 5.243 1.00 0.53 C ATOM 0 H ILE A 143 -12.842 5.827 5.321 1.00 0.43 H new ATOM 0 HA ILE A 143 -13.382 4.472 7.806 1.00 0.39 H new ATOM 0 HB ILE A 143 -10.764 4.912 6.334 1.00 0.40 H new ATOM 0 HG12 ILE A 143 -12.483 2.420 6.440 1.00 0.45 H new ATOM 0 HG13 ILE A 143 -12.511 3.566 5.114 1.00 0.45 H new ATOM 0 HG21 ILE A 143 -9.962 3.091 7.866 1.00 0.48 H new ATOM 0 HG22 ILE A 143 -10.496 4.515 8.790 1.00 0.48 H new ATOM 0 HG23 ILE A 143 -11.547 3.084 8.674 1.00 0.48 H new ATOM 0 HD11 ILE A 143 -11.065 1.640 4.578 1.00 0.53 H new ATOM 0 HD12 ILE A 143 -10.099 3.132 4.670 1.00 0.53 H new ATOM 0 HD13 ILE A 143 -10.070 1.968 6.016 1.00 0.53 H new ATOM 1738 N HIS A 144 -12.457 5.964 9.548 1.00 0.43 N ATOM 1739 CA HIS A 144 -11.978 6.783 10.655 1.00 0.46 C ATOM 1740 C HIS A 144 -10.520 6.459 11.008 1.00 0.43 C ATOM 1741 O HIS A 144 -10.226 5.362 11.491 1.00 0.49 O ATOM 1742 CB HIS A 144 -12.912 6.519 11.835 1.00 0.64 C ATOM 1743 CG HIS A 144 -12.930 7.609 12.876 1.00 0.91 C ATOM 1744 ND1 HIS A 144 -13.549 8.829 12.749 1.00 1.22 N ATOM 1745 CD2 HIS A 144 -12.396 7.560 14.137 1.00 1.13 C ATOM 1746 CE1 HIS A 144 -13.396 9.503 13.899 1.00 1.48 C ATOM 1747 NE2 HIS A 144 -12.705 8.764 14.787 1.00 1.41 N ATOM 0 H HIS A 144 -12.967 5.136 9.857 1.00 0.43 H new ATOM 0 HA HIS A 144 -11.989 7.839 10.384 1.00 0.46 H new ATOM 0 HB2 HIS A 144 -13.924 6.380 11.456 1.00 0.64 H new ATOM 0 HB3 HIS A 144 -12.618 5.584 12.312 1.00 0.64 H new ATOM 0 HD2 HIS A 144 -11.835 6.738 14.557 1.00 1.13 H new ATOM 0 HE1 HIS A 144 -13.774 10.497 14.086 1.00 1.48 H new ATOM 0 HE2 HIS A 144 -12.456 9.027 15.741 1.00 1.41 H new ATOM 1755 N SER A 145 -9.598 7.403 10.806 1.00 0.39 N ATOM 1756 CA SER A 145 -8.262 7.359 11.391 1.00 0.38 C ATOM 1757 C SER A 145 -8.363 7.430 12.915 1.00 0.43 C ATOM 1758 O SER A 145 -8.839 8.408 13.466 1.00 0.56 O ATOM 1759 CB SER A 145 -7.447 8.540 10.844 1.00 0.37 C ATOM 1760 OG SER A 145 -6.393 8.869 11.734 1.00 0.37 O ATOM 0 H SER A 145 -9.762 8.226 10.226 1.00 0.39 H new ATOM 0 HA SER A 145 -7.764 6.426 11.127 1.00 0.38 H new ATOM 0 HB2 SER A 145 -7.039 8.286 9.866 1.00 0.37 H new ATOM 0 HB3 SER A 145 -8.096 9.404 10.704 1.00 0.37 H new ATOM 0 HG SER A 145 -5.628 8.279 11.568 1.00 0.37 H new ATOM 1766 N ALA A 146 -7.861 6.422 13.615 1.00 0.45 N ATOM 1767 CA ALA A 146 -7.903 6.300 15.076 1.00 0.52 C ATOM 1768 C ALA A 146 -7.237 7.466 15.841 1.00 0.60 C ATOM 1769 O ALA A 146 -7.531 7.688 17.018 1.00 0.81 O ATOM 1770 CB ALA A 146 -7.243 4.965 15.431 1.00 0.54 C ATOM 0 H ALA A 146 -7.394 5.633 13.168 1.00 0.45 H new ATOM 0 HA ALA A 146 -8.946 6.340 15.391 1.00 0.52 H new ATOM 0 HB1 ALA A 146 -7.252 4.831 16.513 1.00 0.54 H new ATOM 0 HB2 ALA A 146 -7.793 4.150 14.960 1.00 0.54 H new ATOM 0 HB3 ALA A 146 -6.213 4.962 15.073 1.00 0.54 H new ATOM 1776 N LEU A 147 -6.371 8.237 15.171 1.00 0.52 N ATOM 1777 CA LEU A 147 -5.687 9.424 15.664 1.00 0.60 C ATOM 1778 C LEU A 147 -6.635 10.621 15.889 1.00 0.74 C ATOM 1779 O LEU A 147 -6.281 11.575 16.586 1.00 0.98 O ATOM 1780 CB LEU A 147 -4.622 9.743 14.605 1.00 0.56 C ATOM 1781 CG LEU A 147 -3.626 8.626 14.242 1.00 0.50 C ATOM 1782 CD1 LEU A 147 -2.444 9.204 13.467 1.00 0.55 C ATOM 1783 CD2 LEU A 147 -3.094 7.907 15.476 1.00 0.49 C ATOM 0 H LEU A 147 -6.117 8.028 14.205 1.00 0.52 H new ATOM 0 HA LEU A 147 -5.253 9.237 16.646 1.00 0.60 H new ATOM 0 HB2 LEU A 147 -5.135 10.046 13.692 1.00 0.56 H new ATOM 0 HB3 LEU A 147 -4.051 10.604 14.951 1.00 0.56 H new ATOM 0 HG LEU A 147 -4.169 7.906 13.629 1.00 0.50 H new ATOM 0 HD11 LEU A 147 -1.747 8.404 13.216 1.00 0.55 H new ATOM 0 HD12 LEU A 147 -2.804 9.672 12.551 1.00 0.55 H new ATOM 0 HD13 LEU A 147 -1.936 9.949 14.080 1.00 0.55 H new ATOM 0 HD21 LEU A 147 -2.396 7.128 15.170 1.00 0.49 H new ATOM 0 HD22 LEU A 147 -2.582 8.621 16.121 1.00 0.49 H new ATOM 0 HD23 LEU A 147 -3.924 7.457 16.021 1.00 0.49 H new ATOM 1795 N LEU A 148 -7.850 10.547 15.334 1.00 0.67 N ATOM 1796 CA LEU A 148 -8.962 11.479 15.540 1.00 0.84 C ATOM 1797 C LEU A 148 -9.502 11.509 16.983 1.00 1.16 C ATOM 1798 O LEU A 148 -10.198 12.459 17.336 1.00 1.58 O ATOM 1799 CB LEU A 148 -10.067 11.115 14.544 1.00 0.68 C ATOM 1800 CG LEU A 148 -9.932 11.811 13.174 1.00 0.98 C ATOM 1801 CD1 LEU A 148 -10.494 13.235 13.214 1.00 2.89 C ATOM 1802 CD2 LEU A 148 -8.521 11.883 12.588 1.00 3.10 C ATOM 0 H LEU A 148 -8.096 9.793 14.693 1.00 0.67 H new ATOM 0 HA LEU A 148 -8.592 12.490 15.368 1.00 0.84 H new ATOM 0 HB2 LEU A 148 -10.065 10.035 14.393 1.00 0.68 H new ATOM 0 HB3 LEU A 148 -11.033 11.374 14.978 1.00 0.68 H new ATOM 0 HG LEU A 148 -10.511 11.161 12.517 1.00 0.98 H new ATOM 0 HD11 LEU A 148 -10.383 13.697 12.233 1.00 2.89 H new ATOM 0 HD12 LEU A 148 -11.550 13.202 13.483 1.00 2.89 H new ATOM 0 HD13 LEU A 148 -9.949 13.820 13.955 1.00 2.89 H new ATOM 0 HD21 LEU A 148 -8.552 12.393 11.625 1.00 3.10 H new ATOM 0 HD22 LEU A 148 -7.872 12.433 13.269 1.00 3.10 H new ATOM 0 HD23 LEU A 148 -8.132 10.874 12.451 1.00 3.10 H new ATOM 1814 N ASP A 149 -9.186 10.508 17.815 1.00 1.21 N ATOM 1815 CA ASP A 149 -9.646 10.410 19.212 1.00 1.72 C ATOM 1816 C ASP A 149 -8.501 10.224 20.230 1.00 2.05 C ATOM 1817 O ASP A 149 -8.699 9.749 21.350 1.00 2.44 O ATOM 1818 CB ASP A 149 -10.752 9.342 19.311 1.00 2.04 C ATOM 1819 CG ASP A 149 -11.711 9.506 20.500 1.00 2.67 C ATOM 1820 OD1 ASP A 149 -11.884 10.635 21.019 1.00 3.27 O ATOM 1821 OD2 ASP A 149 -12.395 8.518 20.865 1.00 3.50 O ATOM 0 H ASP A 149 -8.593 9.728 17.534 1.00 1.21 H new ATOM 0 HA ASP A 149 -10.077 11.369 19.499 1.00 1.72 H new ATOM 0 HB2 ASP A 149 -11.334 9.358 18.390 1.00 2.04 H new ATOM 0 HB3 ASP A 149 -10.283 8.360 19.375 1.00 2.04 H new ATOM 1826 N GLU A 150 -7.287 10.612 19.837 1.00 2.04 N ATOM 1827 CA GLU A 150 -6.041 10.538 20.609 1.00 2.57 C ATOM 1828 C GLU A 150 -5.614 11.885 21.211 1.00 2.82 C ATOM 1829 O GLU A 150 -5.266 11.903 22.413 1.00 3.85 O ATOM 1830 CB GLU A 150 -4.955 9.910 19.724 1.00 2.87 C ATOM 1831 CG GLU A 150 -5.093 8.376 19.637 1.00 4.10 C ATOM 1832 CD GLU A 150 -3.862 7.635 19.077 1.00 4.49 C ATOM 1833 OE1 GLU A 150 -2.768 8.238 18.947 1.00 4.20 O ATOM 1834 OE2 GLU A 150 -3.947 6.401 18.839 1.00 5.85 O ATOM 0 H GLU A 150 -7.136 11.013 18.911 1.00 2.04 H new ATOM 0 HA GLU A 150 -6.208 9.903 21.479 1.00 2.57 H new ATOM 0 HB2 GLU A 150 -5.013 10.336 18.722 1.00 2.87 H new ATOM 0 HB3 GLU A 150 -3.972 10.163 20.122 1.00 2.87 H new ATOM 0 HG2 GLU A 150 -5.307 7.990 20.634 1.00 4.10 H new ATOM 0 HG3 GLU A 150 -5.954 8.140 19.012 1.00 4.10 H new