USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=14 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 104 SER OG : rot -61:sc= 1.18 USER MOD Set 1.2: A 113 TYR OH : rot 180:sc= 1.08 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.308 K(o=0.63,f=-9.5!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.405 K(o=0.63,f=-4.6) USER MOD Set 2.3: A 145 SER OG : rot 86:sc= 1.34 USER MOD Single : A 44 GLN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0.752 (180deg=0.75) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= 1.3 (180deg=0.647) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.664 K(o=0.66,f=-0.088) USER MOD Single : A 66 GLN : amide:sc= -3.16! C(o=-3.2!,f=-7.8!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.318 USER MOD Single : A 70 SER OG : rot 180:sc= -0.183 USER MOD Single : A 71 ASN : amide:sc= 0.0465 K(o=0.046,f=-1.2) USER MOD Single : A 75 GLN : amide:sc= -0.749 K(o=-0.75,f=-5.2!) USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0282 K(o=-0.028,f=-7.6!) USER MOD Single : A 98 GLN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.0369 X(o=0.037,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0732 K(o=-0.073,f=-2.7!) USER MOD Single : A 115 ASN : amide:sc= -0.0715 K(o=-0.071,f=-1.1) USER MOD Single : A 122 CYS SG : rot 139:sc= -0.0514 USER MOD Single : A 127 GLN : amide:sc= 1.02 K(o=1,f=-0.017) USER MOD Single : A 128 MET CE :methyl -135:sc= -1.71! (180deg=-2) USER MOD Single : A 130 GLN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 131 ASN : amide:sc= 0.4 K(o=0.4,f=-4.1!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.879 -3.791 -17.680 1.00 0.79 N ATOM 129 CA ALA A 42 -2.450 -2.774 -16.797 1.00 0.72 C ATOM 130 C ALA A 42 -3.875 -3.113 -16.313 1.00 0.63 C ATOM 131 O ALA A 42 -4.198 -2.892 -15.148 1.00 0.58 O ATOM 132 CB ALA A 42 -2.423 -1.456 -17.568 1.00 0.96 C ATOM 0 HA ALA A 42 -1.858 -2.714 -15.884 1.00 0.72 H new ATOM 0 HB1 ALA A 42 -2.841 -0.663 -16.948 1.00 0.96 H new ATOM 0 HB2 ALA A 42 -1.394 -1.208 -17.829 1.00 0.96 H new ATOM 0 HB3 ALA A 42 -3.015 -1.555 -18.478 1.00 0.96 H new ATOM 138 N GLU A 43 -4.696 -3.735 -17.166 1.00 0.69 N ATOM 139 CA GLU A 43 -6.050 -4.189 -16.816 1.00 0.70 C ATOM 140 C GLU A 43 -6.097 -5.259 -15.711 1.00 0.58 C ATOM 141 O GLU A 43 -7.117 -5.364 -15.027 1.00 0.60 O ATOM 142 CB GLU A 43 -6.794 -4.681 -18.072 1.00 0.90 C ATOM 143 CG GLU A 43 -6.051 -5.790 -18.834 1.00 0.93 C ATOM 144 CD GLU A 43 -6.916 -6.489 -19.889 1.00 2.24 C ATOM 145 OE1 GLU A 43 -7.818 -5.868 -20.502 1.00 3.13 O ATOM 146 OE2 GLU A 43 -6.643 -7.686 -20.158 1.00 3.43 O ATOM 0 H GLU A 43 -4.438 -3.941 -18.131 1.00 0.69 H new ATOM 0 HA GLU A 43 -6.554 -3.316 -16.401 1.00 0.70 H new ATOM 0 HB2 GLU A 43 -7.778 -5.049 -17.780 1.00 0.90 H new ATOM 0 HB3 GLU A 43 -6.955 -3.837 -18.742 1.00 0.90 H new ATOM 0 HG2 GLU A 43 -5.174 -5.362 -19.320 1.00 0.93 H new ATOM 0 HG3 GLU A 43 -5.691 -6.532 -18.121 1.00 0.93 H new ATOM 153 N GLN A 44 -5.012 -6.019 -15.513 1.00 0.52 N ATOM 154 CA GLN A 44 -4.866 -6.978 -14.417 1.00 0.50 C ATOM 155 C GLN A 44 -4.469 -6.272 -13.128 1.00 0.41 C ATOM 156 O GLN A 44 -5.103 -6.474 -12.099 1.00 0.43 O ATOM 157 CB GLN A 44 -3.795 -8.011 -14.781 1.00 0.60 C ATOM 158 CG GLN A 44 -3.400 -8.996 -13.663 1.00 0.68 C ATOM 159 CD GLN A 44 -4.538 -9.862 -13.119 1.00 0.75 C ATOM 160 OE1 GLN A 44 -4.671 -11.044 -13.418 1.00 1.11 O ATOM 161 NE2 GLN A 44 -5.389 -9.307 -12.286 1.00 0.71 N ATOM 0 H GLN A 44 -4.196 -5.981 -16.124 1.00 0.52 H new ATOM 0 HA GLN A 44 -5.824 -7.473 -14.261 1.00 0.50 H new ATOM 0 HB2 GLN A 44 -4.149 -8.586 -15.637 1.00 0.60 H new ATOM 0 HB3 GLN A 44 -2.900 -7.479 -15.103 1.00 0.60 H new ATOM 0 HG2 GLN A 44 -2.616 -9.652 -14.040 1.00 0.68 H new ATOM 0 HG3 GLN A 44 -2.971 -8.429 -12.837 1.00 0.68 H new ATOM 0 HE21 GLN A 44 -5.286 -8.325 -12.031 1.00 0.71 H new ATOM 0 HE22 GLN A 44 -6.152 -9.859 -11.894 1.00 0.71 H new ATOM 170 N LEU A 45 -3.412 -5.467 -13.164 1.00 0.36 N ATOM 171 CA LEU A 45 -2.919 -4.713 -12.012 1.00 0.32 C ATOM 172 C LEU A 45 -3.979 -3.752 -11.450 1.00 0.31 C ATOM 173 O LEU A 45 -4.118 -3.641 -10.237 1.00 0.30 O ATOM 174 CB LEU A 45 -1.667 -3.972 -12.467 1.00 0.32 C ATOM 175 CG LEU A 45 -0.379 -4.819 -12.544 1.00 0.34 C ATOM 176 CD1 LEU A 45 0.174 -5.062 -11.137 1.00 0.32 C ATOM 177 CD2 LEU A 45 -0.497 -6.171 -13.259 1.00 0.48 C ATOM 0 H LEU A 45 -2.862 -5.316 -14.010 1.00 0.36 H new ATOM 0 HA LEU A 45 -2.685 -5.391 -11.191 1.00 0.32 H new ATOM 0 HB2 LEU A 45 -1.858 -3.544 -13.451 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -1.492 -3.139 -11.786 1.00 0.32 H new ATOM 0 HG LEU A 45 0.293 -4.219 -13.158 1.00 0.34 H new ATOM 0 HD11 LEU A 45 1.083 -5.660 -11.202 1.00 0.32 H new ATOM 0 HD12 LEU A 45 0.402 -4.106 -10.665 1.00 0.32 H new ATOM 0 HD13 LEU A 45 -0.568 -5.593 -10.541 1.00 0.32 H new ATOM 0 HD21 LEU A 45 0.470 -6.673 -13.249 1.00 0.48 H new ATOM 0 HD22 LEU A 45 -1.233 -6.791 -12.746 1.00 0.48 H new ATOM 0 HD23 LEU A 45 -0.812 -6.011 -14.290 1.00 0.48 H new ATOM 189 N ASP A 46 -4.806 -3.165 -12.317 1.00 0.33 N ATOM 190 CA ASP A 46 -6.001 -2.400 -11.935 1.00 0.35 C ATOM 191 C ASP A 46 -7.007 -3.257 -11.132 1.00 0.35 C ATOM 192 O ASP A 46 -7.528 -2.877 -10.082 1.00 0.35 O ATOM 193 CB ASP A 46 -6.666 -1.915 -13.226 1.00 0.46 C ATOM 194 CG ASP A 46 -8.010 -1.224 -12.998 1.00 0.86 C ATOM 195 OD1 ASP A 46 -8.078 -0.229 -12.236 1.00 1.73 O ATOM 196 OD2 ASP A 46 -8.990 -1.635 -13.661 1.00 2.33 O ATOM 0 H ASP A 46 -4.663 -3.207 -13.326 1.00 0.33 H new ATOM 0 HA ASP A 46 -5.703 -1.569 -11.295 1.00 0.35 H new ATOM 0 HB2 ASP A 46 -5.993 -1.224 -13.734 1.00 0.46 H new ATOM 0 HB3 ASP A 46 -6.812 -2.766 -13.892 1.00 0.46 H new ATOM 201 N ALA A 47 -7.233 -4.476 -11.619 1.00 0.37 N ATOM 202 CA ALA A 47 -8.174 -5.423 -11.026 1.00 0.39 C ATOM 203 C ALA A 47 -7.638 -5.928 -9.680 1.00 0.41 C ATOM 204 O ALA A 47 -8.409 -6.155 -8.748 1.00 0.49 O ATOM 205 CB ALA A 47 -8.413 -6.565 -12.023 1.00 0.47 C ATOM 0 H ALA A 47 -6.761 -4.838 -12.448 1.00 0.37 H new ATOM 0 HA ALA A 47 -9.129 -4.939 -10.823 1.00 0.39 H new ATOM 0 HB1 ALA A 47 -9.114 -7.281 -11.595 1.00 0.47 H new ATOM 0 HB2 ALA A 47 -8.826 -6.161 -12.947 1.00 0.47 H new ATOM 0 HB3 ALA A 47 -7.468 -7.065 -12.236 1.00 0.47 H new ATOM 211 N LEU A 48 -6.309 -6.015 -9.576 1.00 0.38 N ATOM 212 CA LEU A 48 -5.540 -6.348 -8.386 1.00 0.39 C ATOM 213 C LEU A 48 -5.643 -5.254 -7.312 1.00 0.37 C ATOM 214 O LEU A 48 -5.986 -5.561 -6.177 1.00 0.43 O ATOM 215 CB LEU A 48 -4.090 -6.585 -8.843 1.00 0.38 C ATOM 216 CG LEU A 48 -3.636 -8.049 -8.866 1.00 0.44 C ATOM 217 CD1 LEU A 48 -2.377 -8.190 -9.721 1.00 0.53 C ATOM 218 CD2 LEU A 48 -3.302 -8.532 -7.470 1.00 0.89 C ATOM 0 H LEU A 48 -5.706 -5.842 -10.380 1.00 0.38 H new ATOM 0 HA LEU A 48 -5.936 -7.246 -7.912 1.00 0.39 H new ATOM 0 HB2 LEU A 48 -3.971 -6.170 -9.844 1.00 0.38 H new ATOM 0 HB3 LEU A 48 -3.424 -6.027 -8.185 1.00 0.38 H new ATOM 0 HG LEU A 48 -4.452 -8.642 -9.278 1.00 0.44 H new ATOM 0 HD11 LEU A 48 -2.060 -9.233 -9.733 1.00 0.53 H new ATOM 0 HD12 LEU A 48 -2.590 -7.864 -10.739 1.00 0.53 H new ATOM 0 HD13 LEU A 48 -1.582 -7.574 -9.302 1.00 0.53 H new ATOM 0 HD21 LEU A 48 -2.982 -9.573 -7.512 1.00 0.89 H new ATOM 0 HD22 LEU A 48 -2.499 -7.922 -7.057 1.00 0.89 H new ATOM 0 HD23 LEU A 48 -4.184 -8.449 -6.835 1.00 0.89 H new ATOM 230 N VAL A 49 -5.447 -3.973 -7.653 1.00 0.33 N ATOM 231 CA VAL A 49 -5.696 -2.866 -6.705 1.00 0.35 C ATOM 232 C VAL A 49 -7.177 -2.670 -6.385 1.00 0.38 C ATOM 233 O VAL A 49 -7.489 -2.006 -5.400 1.00 0.54 O ATOM 234 CB VAL A 49 -5.092 -1.519 -7.152 1.00 0.34 C ATOM 235 CG1 VAL A 49 -3.586 -1.554 -7.354 1.00 0.33 C ATOM 236 CG2 VAL A 49 -5.688 -1.000 -8.457 1.00 0.34 C ATOM 0 H VAL A 49 -5.119 -3.674 -8.571 1.00 0.33 H new ATOM 0 HA VAL A 49 -5.181 -3.184 -5.798 1.00 0.35 H new ATOM 0 HB VAL A 49 -5.340 -0.858 -6.322 1.00 0.34 H new ATOM 0 HG11 VAL A 49 -3.238 -0.570 -7.668 1.00 0.33 H new ATOM 0 HG12 VAL A 49 -3.100 -1.830 -6.418 1.00 0.33 H new ATOM 0 HG13 VAL A 49 -3.339 -2.288 -8.121 1.00 0.33 H new ATOM 0 HG21 VAL A 49 -5.222 -0.050 -8.717 1.00 0.34 H new ATOM 0 HG22 VAL A 49 -5.507 -1.723 -9.252 1.00 0.34 H new ATOM 0 HG23 VAL A 49 -6.762 -0.856 -8.335 1.00 0.34 H new ATOM 246 N LYS A 50 -8.094 -3.250 -7.174 1.00 0.34 N ATOM 247 CA LYS A 50 -9.533 -3.234 -6.870 1.00 0.37 C ATOM 248 C LYS A 50 -10.076 -4.340 -5.960 1.00 0.52 C ATOM 249 O LYS A 50 -11.206 -4.230 -5.481 1.00 0.82 O ATOM 250 CB LYS A 50 -10.299 -3.210 -8.194 1.00 0.43 C ATOM 251 CG LYS A 50 -10.928 -1.841 -8.346 1.00 1.00 C ATOM 252 CD LYS A 50 -9.937 -0.671 -8.423 1.00 1.06 C ATOM 253 CE LYS A 50 -10.496 0.516 -9.214 1.00 2.43 C ATOM 254 NZ LYS A 50 -10.477 0.302 -10.684 1.00 3.96 N ATOM 0 H LYS A 50 -7.861 -3.741 -8.037 1.00 0.34 H new ATOM 0 HA LYS A 50 -9.687 -2.336 -6.272 1.00 0.37 H new ATOM 0 HB2 LYS A 50 -9.627 -3.415 -9.027 1.00 0.43 H new ATOM 0 HB3 LYS A 50 -11.065 -3.985 -8.205 1.00 0.43 H new ATOM 0 HG2 LYS A 50 -11.540 -1.838 -9.248 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.600 -1.672 -7.505 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -9.684 -0.345 -7.414 1.00 1.06 H new ATOM 0 HD3 LYS A 50 -9.012 -1.012 -8.889 1.00 1.06 H new ATOM 0 HE2 LYS A 50 -11.521 0.707 -8.895 1.00 2.43 H new ATOM 0 HE3 LYS A 50 -9.917 1.408 -8.976 1.00 2.43 H new ATOM 0 HZ1 LYS A 50 -10.851 1.146 -11.163 1.00 3.96 H new ATOM 0 HZ2 LYS A 50 -9.500 0.131 -10.997 1.00 3.96 H new ATOM 0 HZ3 LYS A 50 -11.066 -0.521 -10.923 1.00 3.96 H new ATOM 268 N LYS A 51 -9.287 -5.382 -5.717 1.00 0.36 N ATOM 269 CA LYS A 51 -9.636 -6.584 -4.931 1.00 0.36 C ATOM 270 C LYS A 51 -9.903 -6.286 -3.460 1.00 0.51 C ATOM 271 O LYS A 51 -10.656 -7.015 -2.809 1.00 0.74 O ATOM 272 CB LYS A 51 -8.493 -7.591 -5.056 1.00 0.49 C ATOM 273 CG LYS A 51 -8.672 -8.521 -6.262 1.00 0.79 C ATOM 274 CD LYS A 51 -7.390 -9.325 -6.473 1.00 1.44 C ATOM 275 CE LYS A 51 -7.331 -10.030 -7.830 1.00 1.03 C ATOM 276 NZ LYS A 51 -8.291 -11.155 -7.926 1.00 1.19 N ATOM 0 H LYS A 51 -8.334 -5.423 -6.078 1.00 0.36 H new ATOM 0 HA LYS A 51 -10.565 -6.986 -5.335 1.00 0.36 H new ATOM 0 HB2 LYS A 51 -7.548 -7.056 -5.149 1.00 0.49 H new ATOM 0 HB3 LYS A 51 -8.434 -8.187 -4.145 1.00 0.49 H new ATOM 0 HG2 LYS A 51 -9.514 -9.193 -6.096 1.00 0.79 H new ATOM 0 HG3 LYS A 51 -8.901 -7.939 -7.154 1.00 0.79 H new ATOM 0 HD2 LYS A 51 -6.533 -8.658 -6.381 1.00 1.44 H new ATOM 0 HD3 LYS A 51 -7.302 -10.069 -5.681 1.00 1.44 H new ATOM 0 HE2 LYS A 51 -7.541 -9.309 -8.620 1.00 1.03 H new ATOM 0 HE3 LYS A 51 -6.321 -10.403 -7.999 1.00 1.03 H new ATOM 0 HZ1 LYS A 51 -8.212 -11.599 -8.863 1.00 1.19 H new ATOM 0 HZ2 LYS A 51 -8.077 -11.858 -7.190 1.00 1.19 H new ATOM 0 HZ3 LYS A 51 -9.259 -10.798 -7.792 1.00 1.19 H new ATOM 290 N ASP A 52 -9.311 -5.206 -2.963 1.00 0.45 N ATOM 291 CA ASP A 52 -9.679 -4.574 -1.702 1.00 0.41 C ATOM 292 C ASP A 52 -9.710 -3.055 -1.875 1.00 0.38 C ATOM 293 O ASP A 52 -9.402 -2.523 -2.943 1.00 0.41 O ATOM 294 CB ASP A 52 -8.684 -4.991 -0.605 1.00 0.41 C ATOM 295 CG ASP A 52 -9.378 -5.227 0.745 1.00 0.51 C ATOM 296 OD1 ASP A 52 -10.169 -4.347 1.152 1.00 1.83 O ATOM 297 OD2 ASP A 52 -9.197 -6.297 1.374 1.00 1.69 O ATOM 0 H ASP A 52 -8.542 -4.734 -3.438 1.00 0.45 H new ATOM 0 HA ASP A 52 -10.674 -4.901 -1.402 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -8.168 -5.901 -0.911 1.00 0.41 H new ATOM 0 HB3 ASP A 52 -7.925 -4.217 -0.492 1.00 0.41 H new ATOM 302 N LYS A 53 -10.033 -2.345 -0.800 1.00 0.40 N ATOM 303 CA LYS A 53 -9.912 -0.882 -0.716 1.00 0.43 C ATOM 304 C LYS A 53 -8.576 -0.399 -0.175 1.00 0.34 C ATOM 305 O LYS A 53 -8.302 0.794 -0.234 1.00 0.31 O ATOM 306 CB LYS A 53 -11.068 -0.242 0.049 1.00 0.53 C ATOM 307 CG LYS A 53 -12.112 -1.162 0.685 1.00 1.09 C ATOM 308 CD LYS A 53 -11.738 -1.568 2.118 1.00 0.86 C ATOM 309 CE LYS A 53 -12.751 -2.533 2.747 1.00 1.04 C ATOM 310 NZ LYS A 53 -12.700 -3.877 2.129 1.00 1.83 N ATOM 0 H LYS A 53 -10.393 -2.770 0.055 1.00 0.40 H new ATOM 0 HA LYS A 53 -9.963 -0.548 -1.752 1.00 0.43 H new ATOM 0 HB2 LYS A 53 -10.642 0.375 0.840 1.00 0.53 H new ATOM 0 HB3 LYS A 53 -11.588 0.429 -0.634 1.00 0.53 H new ATOM 0 HG2 LYS A 53 -13.079 -0.659 0.693 1.00 1.09 H new ATOM 0 HG3 LYS A 53 -12.224 -2.058 0.074 1.00 1.09 H new ATOM 0 HD2 LYS A 53 -10.753 -2.035 2.113 1.00 0.86 H new ATOM 0 HD3 LYS A 53 -11.663 -0.673 2.736 1.00 0.86 H new ATOM 0 HE2 LYS A 53 -12.554 -2.618 3.816 1.00 1.04 H new ATOM 0 HE3 LYS A 53 -13.755 -2.123 2.640 1.00 1.04 H new ATOM 0 HZ1 LYS A 53 -12.734 -4.603 2.873 1.00 1.83 H new ATOM 0 HZ2 LYS A 53 -13.513 -3.997 1.491 1.00 1.83 H new ATOM 0 HZ3 LYS A 53 -11.818 -3.977 1.588 1.00 1.83 H new ATOM 324 N VAL A 54 -7.778 -1.320 0.352 1.00 0.34 N ATOM 325 CA VAL A 54 -6.461 -1.102 0.955 1.00 0.29 C ATOM 326 C VAL A 54 -5.593 -2.242 0.460 1.00 0.35 C ATOM 327 O VAL A 54 -5.551 -3.341 1.022 1.00 0.56 O ATOM 328 CB VAL A 54 -6.479 -1.054 2.499 1.00 0.30 C ATOM 329 CG1 VAL A 54 -5.598 0.071 3.023 1.00 0.37 C ATOM 330 CG2 VAL A 54 -7.874 -0.927 3.091 1.00 0.42 C ATOM 0 H VAL A 54 -8.047 -2.304 0.373 1.00 0.34 H new ATOM 0 HA VAL A 54 -6.081 -0.124 0.661 1.00 0.29 H new ATOM 0 HB VAL A 54 -6.082 -2.016 2.822 1.00 0.30 H new ATOM 0 HG11 VAL A 54 -5.630 0.081 4.112 1.00 0.37 H new ATOM 0 HG12 VAL A 54 -4.572 -0.086 2.691 1.00 0.37 H new ATOM 0 HG13 VAL A 54 -5.961 1.025 2.641 1.00 0.37 H new ATOM 0 HG21 VAL A 54 -7.807 -0.899 4.179 1.00 0.42 H new ATOM 0 HG22 VAL A 54 -8.339 -0.009 2.733 1.00 0.42 H new ATOM 0 HG23 VAL A 54 -8.478 -1.782 2.786 1.00 0.42 H new ATOM 340 N VAL A 55 -4.971 -1.998 -0.678 1.00 0.28 N ATOM 341 CA VAL A 55 -4.150 -3.017 -1.333 1.00 0.28 C ATOM 342 C VAL A 55 -2.691 -2.587 -1.286 1.00 0.29 C ATOM 343 O VAL A 55 -2.315 -1.534 -1.805 1.00 0.30 O ATOM 344 CB VAL A 55 -4.671 -3.391 -2.734 1.00 0.29 C ATOM 345 CG1 VAL A 55 -4.219 -4.814 -3.023 1.00 0.87 C ATOM 346 CG2 VAL A 55 -6.194 -3.537 -2.815 1.00 1.00 C ATOM 0 H VAL A 55 -5.014 -1.107 -1.173 1.00 0.28 H new ATOM 0 HA VAL A 55 -4.226 -3.955 -0.784 1.00 0.28 H new ATOM 0 HB VAL A 55 -4.313 -2.605 -3.399 1.00 0.29 H new ATOM 0 HG11 VAL A 55 -4.571 -5.114 -4.010 1.00 0.87 H new ATOM 0 HG12 VAL A 55 -3.130 -4.863 -2.996 1.00 0.87 H new ATOM 0 HG13 VAL A 55 -4.631 -5.487 -2.271 1.00 0.87 H new ATOM 0 HG21 VAL A 55 -6.481 -3.801 -3.833 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -6.521 -4.320 -2.131 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -6.665 -2.594 -2.539 1.00 1.00 H new ATOM 356 N VAL A 56 -1.885 -3.391 -0.594 1.00 0.31 N ATOM 357 CA VAL A 56 -0.503 -3.088 -0.198 1.00 0.31 C ATOM 358 C VAL A 56 0.442 -4.031 -0.908 1.00 0.28 C ATOM 359 O VAL A 56 0.071 -5.153 -1.215 1.00 0.29 O ATOM 360 CB VAL A 56 -0.345 -3.185 1.329 1.00 0.30 C ATOM 361 CG1 VAL A 56 1.017 -2.784 1.855 1.00 0.31 C ATOM 362 CG2 VAL A 56 -1.251 -2.174 2.005 1.00 0.32 C ATOM 0 H VAL A 56 -2.187 -4.313 -0.278 1.00 0.31 H new ATOM 0 HA VAL A 56 -0.259 -2.066 -0.488 1.00 0.31 H new ATOM 0 HB VAL A 56 -0.555 -4.234 1.539 1.00 0.30 H new ATOM 0 HG11 VAL A 56 1.032 -2.885 2.940 1.00 0.31 H new ATOM 0 HG12 VAL A 56 1.780 -3.430 1.420 1.00 0.31 H new ATOM 0 HG13 VAL A 56 1.221 -1.748 1.584 1.00 0.31 H new ATOM 0 HG21 VAL A 56 -1.135 -2.247 3.086 1.00 0.32 H new ATOM 0 HG22 VAL A 56 -0.983 -1.169 1.678 1.00 0.32 H new ATOM 0 HG23 VAL A 56 -2.288 -2.378 1.737 1.00 0.32 H new ATOM 372 N PHE A 57 1.653 -3.576 -1.192 1.00 0.27 N ATOM 373 CA PHE A 57 2.465 -4.150 -2.259 1.00 0.28 C ATOM 374 C PHE A 57 3.935 -4.112 -1.881 1.00 0.32 C ATOM 375 O PHE A 57 4.564 -3.051 -1.928 1.00 0.44 O ATOM 376 CB PHE A 57 2.239 -3.240 -3.458 1.00 0.29 C ATOM 377 CG PHE A 57 0.982 -3.554 -4.225 1.00 0.25 C ATOM 378 CD1 PHE A 57 0.960 -4.623 -5.138 1.00 1.84 C ATOM 379 CD2 PHE A 57 -0.171 -2.787 -4.004 1.00 1.89 C ATOM 380 CE1 PHE A 57 -0.216 -4.909 -5.854 1.00 1.80 C ATOM 381 CE2 PHE A 57 -1.353 -3.089 -4.698 1.00 1.94 C ATOM 382 CZ PHE A 57 -1.377 -4.141 -5.634 1.00 0.30 C ATOM 0 H PHE A 57 2.099 -2.805 -0.695 1.00 0.27 H new ATOM 0 HA PHE A 57 2.196 -5.188 -2.456 1.00 0.28 H new ATOM 0 HB2 PHE A 57 2.197 -2.206 -3.116 1.00 0.29 H new ATOM 0 HB3 PHE A 57 3.094 -3.319 -4.130 1.00 0.29 H new ATOM 0 HD1 PHE A 57 1.845 -5.224 -5.289 1.00 1.84 H new ATOM 0 HD2 PHE A 57 -0.150 -1.967 -3.302 1.00 1.89 H new ATOM 0 HE1 PHE A 57 -0.229 -5.716 -6.572 1.00 1.80 H new ATOM 0 HE2 PHE A 57 -2.247 -2.512 -4.514 1.00 1.94 H new ATOM 0 HZ PHE A 57 -2.282 -4.359 -6.181 1.00 0.30 H new ATOM 392 N LEU A 58 4.499 -5.250 -1.484 1.00 0.27 N ATOM 393 CA LEU A 58 5.847 -5.278 -0.938 1.00 0.27 C ATOM 394 C LEU A 58 6.560 -6.610 -1.246 1.00 0.28 C ATOM 395 O LEU A 58 5.927 -7.621 -1.557 1.00 0.36 O ATOM 396 CB LEU A 58 5.833 -4.854 0.564 1.00 0.27 C ATOM 397 CG LEU A 58 4.481 -4.738 1.332 1.00 0.34 C ATOM 398 CD1 LEU A 58 4.113 -6.015 2.085 1.00 0.43 C ATOM 399 CD2 LEU A 58 4.574 -3.556 2.289 1.00 0.71 C ATOM 0 H LEU A 58 4.042 -6.161 -1.531 1.00 0.27 H new ATOM 0 HA LEU A 58 6.463 -4.533 -1.442 1.00 0.27 H new ATOM 0 HB2 LEU A 58 6.453 -5.567 1.107 1.00 0.27 H new ATOM 0 HB3 LEU A 58 6.327 -3.885 0.631 1.00 0.27 H new ATOM 0 HG LEU A 58 3.685 -4.582 0.604 1.00 0.34 H new ATOM 0 HD11 LEU A 58 3.163 -5.873 2.600 1.00 0.43 H new ATOM 0 HD12 LEU A 58 4.023 -6.841 1.379 1.00 0.43 H new ATOM 0 HD13 LEU A 58 4.890 -6.244 2.814 1.00 0.43 H new ATOM 0 HD21 LEU A 58 3.637 -3.457 2.837 1.00 0.71 H new ATOM 0 HD22 LEU A 58 5.390 -3.721 2.992 1.00 0.71 H new ATOM 0 HD23 LEU A 58 4.761 -2.644 1.723 1.00 0.71 H new ATOM 411 N LYS A 59 7.895 -6.628 -1.194 1.00 0.28 N ATOM 412 CA LYS A 59 8.715 -7.840 -1.393 1.00 0.35 C ATOM 413 C LYS A 59 8.806 -8.634 -0.077 1.00 0.37 C ATOM 414 O LYS A 59 9.897 -8.883 0.439 1.00 0.45 O ATOM 415 CB LYS A 59 10.096 -7.409 -1.956 1.00 0.46 C ATOM 416 CG LYS A 59 10.809 -6.329 -1.109 1.00 0.57 C ATOM 417 CD LYS A 59 12.260 -6.023 -1.487 1.00 0.85 C ATOM 418 CE LYS A 59 12.398 -5.550 -2.931 1.00 1.47 C ATOM 419 NZ LYS A 59 13.729 -4.946 -3.162 1.00 2.10 N ATOM 0 H LYS A 59 8.450 -5.792 -1.010 1.00 0.28 H new ATOM 0 HA LYS A 59 8.260 -8.514 -2.118 1.00 0.35 H new ATOM 0 HB2 LYS A 59 10.739 -8.286 -2.024 1.00 0.46 H new ATOM 0 HB3 LYS A 59 9.962 -7.032 -2.970 1.00 0.46 H new ATOM 0 HG2 LYS A 59 10.235 -5.405 -1.178 1.00 0.57 H new ATOM 0 HG3 LYS A 59 10.786 -6.642 -0.065 1.00 0.57 H new ATOM 0 HD2 LYS A 59 12.653 -5.258 -0.818 1.00 0.85 H new ATOM 0 HD3 LYS A 59 12.867 -6.917 -1.341 1.00 0.85 H new ATOM 0 HE2 LYS A 59 12.253 -6.391 -3.609 1.00 1.47 H new ATOM 0 HE3 LYS A 59 11.619 -4.821 -3.156 1.00 1.47 H new ATOM 0 HZ1 LYS A 59 13.801 -4.631 -4.151 1.00 2.10 H new ATOM 0 HZ2 LYS A 59 13.855 -4.130 -2.529 1.00 2.10 H new ATOM 0 HZ3 LYS A 59 14.469 -5.651 -2.969 1.00 2.10 H new ATOM 433 N GLY A 60 7.662 -9.084 0.439 1.00 0.38 N ATOM 434 CA GLY A 60 7.541 -9.460 1.851 1.00 0.41 C ATOM 435 C GLY A 60 6.114 -9.553 2.396 1.00 0.48 C ATOM 436 O GLY A 60 5.131 -9.482 1.661 1.00 0.75 O ATOM 0 H GLY A 60 6.803 -9.198 -0.100 1.00 0.38 H new ATOM 0 HA2 GLY A 60 8.028 -10.425 1.993 1.00 0.41 H new ATOM 0 HA3 GLY A 60 8.092 -8.734 2.449 1.00 0.41 H new ATOM 440 N THR A 61 6.022 -9.672 3.721 1.00 0.40 N ATOM 441 CA THR A 61 4.782 -9.786 4.514 1.00 0.41 C ATOM 442 C THR A 61 4.775 -8.803 5.695 1.00 0.42 C ATOM 443 O THR A 61 5.845 -8.386 6.148 1.00 0.47 O ATOM 444 CB THR A 61 4.600 -11.224 5.035 1.00 0.48 C ATOM 445 OG1 THR A 61 5.631 -11.577 5.933 1.00 0.61 O ATOM 446 CG2 THR A 61 4.569 -12.263 3.917 1.00 0.52 C ATOM 0 H THR A 61 6.855 -9.693 4.310 1.00 0.40 H new ATOM 0 HA THR A 61 3.951 -9.535 3.854 1.00 0.41 H new ATOM 0 HB THR A 61 3.635 -11.228 5.542 1.00 0.48 H new ATOM 0 HG1 THR A 61 5.490 -12.494 6.249 1.00 0.61 H new ATOM 0 HG21 THR A 61 4.439 -13.256 4.347 1.00 0.52 H new ATOM 0 HG22 THR A 61 3.740 -12.048 3.243 1.00 0.52 H new ATOM 0 HG23 THR A 61 5.506 -12.228 3.362 1.00 0.52 H new ATOM 454 N PRO A 62 3.599 -8.427 6.238 1.00 0.43 N ATOM 455 CA PRO A 62 3.504 -7.447 7.327 1.00 0.49 C ATOM 456 C PRO A 62 4.095 -7.940 8.660 1.00 0.63 C ATOM 457 O PRO A 62 4.493 -7.127 9.492 1.00 0.76 O ATOM 458 CB PRO A 62 2.006 -7.135 7.454 1.00 0.53 C ATOM 459 CG PRO A 62 1.328 -8.400 6.932 1.00 0.57 C ATOM 460 CD PRO A 62 2.266 -8.839 5.815 1.00 0.46 C ATOM 0 HA PRO A 62 4.098 -6.563 7.094 1.00 0.49 H new ATOM 0 HB2 PRO A 62 1.726 -6.928 8.487 1.00 0.53 H new ATOM 0 HB3 PRO A 62 1.728 -6.260 6.867 1.00 0.53 H new ATOM 0 HG2 PRO A 62 1.236 -9.161 7.707 1.00 0.57 H new ATOM 0 HG3 PRO A 62 0.323 -8.199 6.562 1.00 0.57 H new ATOM 0 HD2 PRO A 62 2.218 -9.917 5.664 1.00 0.46 H new ATOM 0 HD3 PRO A 62 1.994 -8.373 4.868 1.00 0.46 H new ATOM 468 N GLU A 63 4.190 -9.254 8.869 1.00 0.72 N ATOM 469 CA GLU A 63 4.636 -9.884 10.124 1.00 0.90 C ATOM 470 C GLU A 63 6.162 -10.099 10.226 1.00 0.98 C ATOM 471 O GLU A 63 6.719 -9.995 11.326 1.00 1.17 O ATOM 472 CB GLU A 63 3.839 -11.188 10.342 1.00 1.02 C ATOM 473 CG GLU A 63 3.735 -12.081 9.094 1.00 1.47 C ATOM 474 CD GLU A 63 3.022 -13.399 9.399 1.00 2.29 C ATOM 475 OE1 GLU A 63 1.766 -13.418 9.375 1.00 3.23 O ATOM 476 OE2 GLU A 63 3.702 -14.434 9.610 1.00 3.19 O ATOM 0 H GLU A 63 3.952 -9.936 8.149 1.00 0.72 H new ATOM 0 HA GLU A 63 4.424 -9.185 10.933 1.00 0.90 H new ATOM 0 HB2 GLU A 63 4.309 -11.757 11.144 1.00 1.02 H new ATOM 0 HB3 GLU A 63 2.834 -10.934 10.678 1.00 1.02 H new ATOM 0 HG2 GLU A 63 3.196 -11.549 8.310 1.00 1.47 H new ATOM 0 HG3 GLU A 63 4.734 -12.288 8.710 1.00 1.47 H new ATOM 483 N GLN A 64 6.859 -10.318 9.100 1.00 0.95 N ATOM 484 CA GLN A 64 8.319 -10.491 9.044 1.00 1.01 C ATOM 485 C GLN A 64 8.983 -9.368 8.218 1.00 1.10 C ATOM 486 O GLN A 64 8.605 -9.196 7.055 1.00 1.11 O ATOM 487 CB GLN A 64 8.676 -11.858 8.443 1.00 1.09 C ATOM 488 CG GLN A 64 8.591 -13.050 9.410 1.00 1.24 C ATOM 489 CD GLN A 64 7.171 -13.480 9.746 1.00 2.20 C ATOM 490 OE1 GLN A 64 6.646 -13.173 10.805 1.00 4.09 O ATOM 491 NE2 GLN A 64 6.506 -14.224 8.894 1.00 2.18 N ATOM 0 H GLN A 64 6.414 -10.381 8.184 1.00 0.95 H new ATOM 0 HA GLN A 64 8.698 -10.439 10.065 1.00 1.01 H new ATOM 0 HB2 GLN A 64 8.012 -12.049 7.600 1.00 1.09 H new ATOM 0 HB3 GLN A 64 9.690 -11.807 8.046 1.00 1.09 H new ATOM 0 HG2 GLN A 64 9.121 -13.896 8.973 1.00 1.24 H new ATOM 0 HG3 GLN A 64 9.109 -12.792 10.334 1.00 1.24 H new ATOM 0 HE21 GLN A 64 6.933 -14.488 8.006 1.00 2.18 H new ATOM 0 HE22 GLN A 64 5.562 -14.539 9.120 1.00 2.18 H new ATOM 500 N PRO A 65 10.004 -8.644 8.727 1.00 1.36 N ATOM 501 CA PRO A 65 10.681 -7.575 7.990 1.00 1.42 C ATOM 502 C PRO A 65 11.568 -8.138 6.870 1.00 1.16 C ATOM 503 O PRO A 65 12.755 -8.420 7.056 1.00 1.39 O ATOM 504 CB PRO A 65 11.461 -6.776 9.038 1.00 1.80 C ATOM 505 CG PRO A 65 11.788 -7.832 10.089 1.00 2.05 C ATOM 506 CD PRO A 65 10.537 -8.711 10.079 1.00 1.70 C ATOM 0 HA PRO A 65 9.975 -6.925 7.472 1.00 1.42 H new ATOM 0 HB2 PRO A 65 12.362 -6.329 8.618 1.00 1.80 H new ATOM 0 HB3 PRO A 65 10.866 -5.963 9.453 1.00 1.80 H new ATOM 0 HG2 PRO A 65 12.683 -8.398 9.830 1.00 2.05 H new ATOM 0 HG3 PRO A 65 11.964 -7.388 11.069 1.00 2.05 H new ATOM 0 HD2 PRO A 65 10.781 -9.738 10.351 1.00 1.70 H new ATOM 0 HD3 PRO A 65 9.805 -8.355 10.804 1.00 1.70 H new ATOM 514 N GLN A 66 10.964 -8.289 5.689 1.00 0.85 N ATOM 515 CA GLN A 66 11.590 -8.600 4.394 1.00 0.61 C ATOM 516 C GLN A 66 12.990 -7.981 4.234 1.00 0.73 C ATOM 517 O GLN A 66 14.004 -8.685 4.162 1.00 0.90 O ATOM 518 CB GLN A 66 10.678 -8.083 3.272 1.00 0.54 C ATOM 519 CG GLN A 66 9.947 -6.749 3.539 1.00 1.22 C ATOM 520 CD GLN A 66 9.710 -5.920 2.281 1.00 0.75 C ATOM 521 OE1 GLN A 66 8.843 -6.209 1.483 1.00 1.67 O ATOM 522 NE2 GLN A 66 10.346 -4.783 2.096 1.00 0.97 N ATOM 0 H GLN A 66 9.952 -8.191 5.602 1.00 0.85 H new ATOM 0 HA GLN A 66 11.715 -9.682 4.342 1.00 0.61 H new ATOM 0 HB2 GLN A 66 11.278 -7.968 2.370 1.00 0.54 H new ATOM 0 HB3 GLN A 66 9.929 -8.847 3.062 1.00 0.54 H new ATOM 0 HG2 GLN A 66 8.988 -6.958 4.012 1.00 1.22 H new ATOM 0 HG3 GLN A 66 10.530 -6.160 4.247 1.00 1.22 H new ATOM 0 HE21 GLN A 66 11.082 -4.500 2.742 1.00 0.97 H new ATOM 0 HE22 GLN A 66 10.103 -4.185 1.306 1.00 0.97 H new ATOM 531 N CYS A 67 13.017 -6.648 4.234 1.00 0.74 N ATOM 532 CA CYS A 67 14.203 -5.802 4.309 1.00 0.90 C ATOM 533 C CYS A 67 13.823 -4.586 5.180 1.00 1.04 C ATOM 534 O CYS A 67 13.095 -4.739 6.167 1.00 1.87 O ATOM 535 CB CYS A 67 14.611 -5.472 2.860 1.00 0.97 C ATOM 536 SG CYS A 67 16.296 -4.799 2.798 1.00 1.41 S ATOM 0 H CYS A 67 12.159 -6.100 4.178 1.00 0.74 H new ATOM 0 HA CYS A 67 15.073 -6.264 4.777 1.00 0.90 H new ATOM 0 HB2 CYS A 67 14.552 -6.372 2.248 1.00 0.97 H new ATOM 0 HB3 CYS A 67 13.912 -4.751 2.436 1.00 0.97 H new ATOM 0 HG CYS A 67 16.612 -4.533 1.565 1.00 1.41 H new ATOM 542 N GLY A 68 14.214 -3.372 4.793 1.00 0.94 N ATOM 543 CA GLY A 68 13.513 -2.157 5.213 1.00 1.03 C ATOM 544 C GLY A 68 12.096 -2.039 4.639 1.00 1.13 C ATOM 545 O GLY A 68 11.560 -2.952 3.999 1.00 2.04 O ATOM 0 H GLY A 68 15.016 -3.203 4.186 1.00 0.94 H new ATOM 0 HA2 GLY A 68 13.458 -2.136 6.301 1.00 1.03 H new ATOM 0 HA3 GLY A 68 14.094 -1.287 4.906 1.00 1.03 H new ATOM 549 N PHE A 69 11.540 -0.844 4.828 1.00 0.88 N ATOM 550 CA PHE A 69 10.412 -0.222 4.128 1.00 0.88 C ATOM 551 C PHE A 69 9.024 -0.832 4.329 1.00 0.75 C ATOM 552 O PHE A 69 8.064 -0.079 4.485 1.00 0.70 O ATOM 553 CB PHE A 69 10.755 -0.030 2.638 1.00 1.50 C ATOM 554 CG PHE A 69 11.551 1.230 2.356 1.00 0.75 C ATOM 555 CD1 PHE A 69 12.617 1.649 3.174 1.00 1.74 C ATOM 556 CD2 PHE A 69 11.082 2.086 1.355 1.00 1.79 C ATOM 557 CE1 PHE A 69 13.106 2.960 3.071 1.00 2.37 C ATOM 558 CE2 PHE A 69 11.497 3.422 1.304 1.00 1.96 C ATOM 559 CZ PHE A 69 12.511 3.865 2.173 1.00 1.97 C ATOM 0 H PHE A 69 11.904 -0.221 5.549 1.00 0.88 H new ATOM 0 HA PHE A 69 10.295 0.742 4.622 1.00 0.88 H new ATOM 0 HB2 PHE A 69 11.322 -0.893 2.290 1.00 1.50 H new ATOM 0 HB3 PHE A 69 9.830 -0.002 2.061 1.00 1.50 H new ATOM 0 HD1 PHE A 69 13.058 0.962 3.881 1.00 1.74 H new ATOM 0 HD2 PHE A 69 10.392 1.712 0.613 1.00 1.79 H new ATOM 0 HE1 PHE A 69 13.940 3.275 3.681 1.00 2.37 H new ATOM 0 HE2 PHE A 69 11.043 4.107 0.603 1.00 1.96 H new ATOM 0 HZ PHE A 69 12.831 4.896 2.151 1.00 1.97 H new ATOM 569 N SER A 70 8.892 -2.154 4.350 1.00 0.84 N ATOM 570 CA SER A 70 7.598 -2.840 4.456 1.00 0.84 C ATOM 571 C SER A 70 6.951 -2.686 5.832 1.00 0.70 C ATOM 572 O SER A 70 5.755 -2.442 5.956 1.00 0.86 O ATOM 573 CB SER A 70 7.814 -4.307 4.119 1.00 1.02 C ATOM 574 OG SER A 70 6.730 -5.146 4.436 1.00 2.61 O ATOM 0 H SER A 70 9.686 -2.791 4.294 1.00 0.84 H new ATOM 0 HA SER A 70 6.903 -2.380 3.753 1.00 0.84 H new ATOM 0 HB2 SER A 70 8.025 -4.394 3.053 1.00 1.02 H new ATOM 0 HB3 SER A 70 8.698 -4.662 4.649 1.00 1.02 H new ATOM 0 HG SER A 70 6.947 -6.069 4.188 1.00 2.61 H new ATOM 580 N ASN A 71 7.754 -2.710 6.889 1.00 0.63 N ATOM 581 CA ASN A 71 7.291 -2.382 8.224 1.00 0.58 C ATOM 582 C ASN A 71 6.850 -0.919 8.345 1.00 0.54 C ATOM 583 O ASN A 71 5.839 -0.639 8.972 1.00 0.52 O ATOM 584 CB ASN A 71 8.420 -2.752 9.185 1.00 0.78 C ATOM 585 CG ASN A 71 9.691 -2.000 8.884 1.00 2.91 C ATOM 586 OD1 ASN A 71 10.469 -2.360 8.010 1.00 4.45 O ATOM 587 ND2 ASN A 71 9.874 -0.869 9.503 1.00 3.61 N ATOM 0 H ASN A 71 8.742 -2.958 6.841 1.00 0.63 H new ATOM 0 HA ASN A 71 6.393 -2.949 8.472 1.00 0.58 H new ATOM 0 HB2 ASN A 71 8.108 -2.541 10.208 1.00 0.78 H new ATOM 0 HB3 ASN A 71 8.610 -3.824 9.124 1.00 0.78 H new ATOM 0 HD21 ASN A 71 10.669 -0.278 9.260 1.00 3.61 H new ATOM 0 HD22 ASN A 71 9.222 -0.574 10.230 1.00 3.61 H new ATOM 594 N ALA A 72 7.549 0.007 7.691 1.00 0.57 N ATOM 595 CA ALA A 72 7.282 1.444 7.808 1.00 0.55 C ATOM 596 C ALA A 72 5.895 1.829 7.283 1.00 0.51 C ATOM 597 O ALA A 72 5.211 2.640 7.910 1.00 0.55 O ATOM 598 CB ALA A 72 8.416 2.224 7.131 1.00 0.60 C ATOM 0 H ALA A 72 8.320 -0.217 7.062 1.00 0.57 H new ATOM 0 HA ALA A 72 7.262 1.713 8.864 1.00 0.55 H new ATOM 0 HB1 ALA A 72 8.223 3.293 7.215 1.00 0.60 H new ATOM 0 HB2 ALA A 72 9.362 1.987 7.618 1.00 0.60 H new ATOM 0 HB3 ALA A 72 8.470 1.947 6.078 1.00 0.60 H new ATOM 604 N VAL A 73 5.435 1.191 6.203 1.00 0.48 N ATOM 605 CA VAL A 73 4.090 1.346 5.678 1.00 0.48 C ATOM 606 C VAL A 73 3.032 0.651 6.539 1.00 0.43 C ATOM 607 O VAL A 73 1.941 1.183 6.739 1.00 0.39 O ATOM 608 CB VAL A 73 4.058 0.858 4.222 1.00 0.60 C ATOM 609 CG1 VAL A 73 4.863 1.799 3.318 1.00 0.68 C ATOM 610 CG2 VAL A 73 4.616 -0.526 3.984 1.00 0.69 C ATOM 0 H VAL A 73 6.005 0.540 5.663 1.00 0.48 H new ATOM 0 HA VAL A 73 3.832 2.405 5.707 1.00 0.48 H new ATOM 0 HB VAL A 73 2.993 0.840 3.988 1.00 0.60 H new ATOM 0 HG11 VAL A 73 4.828 1.435 2.291 1.00 0.68 H new ATOM 0 HG12 VAL A 73 4.436 2.801 3.363 1.00 0.68 H new ATOM 0 HG13 VAL A 73 5.899 1.831 3.656 1.00 0.68 H new ATOM 0 HG21 VAL A 73 4.545 -0.770 2.924 1.00 0.69 H new ATOM 0 HG22 VAL A 73 5.661 -0.555 4.293 1.00 0.69 H new ATOM 0 HG23 VAL A 73 4.046 -1.253 4.563 1.00 0.69 H new ATOM 620 N VAL A 74 3.373 -0.506 7.105 1.00 0.47 N ATOM 621 CA VAL A 74 2.477 -1.332 7.925 1.00 0.48 C ATOM 622 C VAL A 74 2.243 -0.737 9.315 1.00 0.42 C ATOM 623 O VAL A 74 1.109 -0.740 9.793 1.00 0.43 O ATOM 624 CB VAL A 74 3.017 -2.769 7.952 1.00 0.60 C ATOM 625 CG1 VAL A 74 2.419 -3.635 9.064 1.00 0.71 C ATOM 626 CG2 VAL A 74 2.745 -3.401 6.577 1.00 0.62 C ATOM 0 H VAL A 74 4.305 -0.909 7.005 1.00 0.47 H new ATOM 0 HA VAL A 74 1.485 -1.351 7.474 1.00 0.48 H new ATOM 0 HB VAL A 74 4.084 -2.722 8.167 1.00 0.60 H new ATOM 0 HG11 VAL A 74 2.850 -4.635 9.018 1.00 0.71 H new ATOM 0 HG12 VAL A 74 2.642 -3.188 10.033 1.00 0.71 H new ATOM 0 HG13 VAL A 74 1.339 -3.699 8.934 1.00 0.71 H new ATOM 0 HG21 VAL A 74 3.119 -4.425 6.567 1.00 0.62 H new ATOM 0 HG22 VAL A 74 1.672 -3.405 6.384 1.00 0.62 H new ATOM 0 HG23 VAL A 74 3.251 -2.822 5.804 1.00 0.62 H new ATOM 636 N GLN A 75 3.268 -0.137 9.930 1.00 0.37 N ATOM 637 CA GLN A 75 3.101 0.674 11.133 1.00 0.35 C ATOM 638 C GLN A 75 2.163 1.855 10.861 1.00 0.31 C ATOM 639 O GLN A 75 1.226 2.054 11.625 1.00 0.33 O ATOM 640 CB GLN A 75 4.452 1.163 11.692 1.00 0.42 C ATOM 641 CG GLN A 75 5.445 0.080 12.169 1.00 0.54 C ATOM 642 CD GLN A 75 4.805 -1.127 12.843 1.00 1.42 C ATOM 643 OE1 GLN A 75 4.928 -2.267 12.410 1.00 3.44 O ATOM 644 NE2 GLN A 75 4.071 -0.936 13.913 1.00 0.95 N ATOM 0 H GLN A 75 4.233 -0.202 9.606 1.00 0.37 H new ATOM 0 HA GLN A 75 2.649 0.039 11.895 1.00 0.35 H new ATOM 0 HB2 GLN A 75 4.943 1.757 10.921 1.00 0.42 H new ATOM 0 HB3 GLN A 75 4.251 1.831 12.529 1.00 0.42 H new ATOM 0 HG2 GLN A 75 6.023 -0.265 11.311 1.00 0.54 H new ATOM 0 HG3 GLN A 75 6.149 0.535 12.865 1.00 0.54 H new ATOM 0 HE21 GLN A 75 3.955 0.004 14.291 1.00 0.95 H new ATOM 0 HE22 GLN A 75 3.616 -1.728 14.368 1.00 0.95 H new ATOM 653 N ILE A 76 2.329 2.590 9.752 1.00 0.27 N ATOM 654 CA ILE A 76 1.446 3.733 9.450 1.00 0.25 C ATOM 655 C ILE A 76 -0.011 3.276 9.305 1.00 0.26 C ATOM 656 O ILE A 76 -0.902 3.883 9.902 1.00 0.27 O ATOM 657 CB ILE A 76 1.964 4.502 8.210 1.00 0.25 C ATOM 658 CG1 ILE A 76 3.238 5.275 8.610 1.00 0.28 C ATOM 659 CG2 ILE A 76 0.921 5.479 7.631 1.00 0.28 C ATOM 660 CD1 ILE A 76 4.007 5.855 7.420 1.00 0.31 C ATOM 0 H ILE A 76 3.055 2.420 9.056 1.00 0.27 H new ATOM 0 HA ILE A 76 1.467 4.431 10.287 1.00 0.25 H new ATOM 0 HB ILE A 76 2.176 3.773 7.428 1.00 0.25 H new ATOM 0 HG12 ILE A 76 2.963 6.087 9.284 1.00 0.28 H new ATOM 0 HG13 ILE A 76 3.897 4.608 9.166 1.00 0.28 H new ATOM 0 HG21 ILE A 76 1.342 5.989 6.764 1.00 0.28 H new ATOM 0 HG22 ILE A 76 0.031 4.925 7.330 1.00 0.28 H new ATOM 0 HG23 ILE A 76 0.652 6.215 8.389 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.889 6.384 7.780 1.00 0.31 H new ATOM 0 HD12 ILE A 76 4.314 5.047 6.756 1.00 0.31 H new ATOM 0 HD13 ILE A 76 3.366 6.548 6.875 1.00 0.31 H new ATOM 672 N LEU A 77 -0.257 2.177 8.587 1.00 0.27 N ATOM 673 CA LEU A 77 -1.595 1.597 8.443 1.00 0.31 C ATOM 674 C LEU A 77 -2.207 1.194 9.795 1.00 0.36 C ATOM 675 O LEU A 77 -3.290 1.684 10.137 1.00 0.40 O ATOM 676 CB LEU A 77 -1.531 0.429 7.444 1.00 0.34 C ATOM 677 CG LEU A 77 -1.406 0.903 5.984 1.00 0.33 C ATOM 678 CD1 LEU A 77 -1.010 -0.261 5.079 1.00 0.38 C ATOM 679 CD2 LEU A 77 -2.731 1.477 5.472 1.00 0.35 C ATOM 0 H LEU A 77 0.469 1.663 8.088 1.00 0.27 H new ATOM 0 HA LEU A 77 -2.270 2.355 8.045 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -0.681 -0.208 7.689 1.00 0.34 H new ATOM 0 HB3 LEU A 77 -2.427 -0.182 7.548 1.00 0.34 H new ATOM 0 HG LEU A 77 -0.640 1.679 5.961 1.00 0.33 H new ATOM 0 HD11 LEU A 77 -0.926 0.090 4.051 1.00 0.38 H new ATOM 0 HD12 LEU A 77 -0.051 -0.665 5.404 1.00 0.38 H new ATOM 0 HD13 LEU A 77 -1.770 -1.040 5.135 1.00 0.38 H new ATOM 0 HD21 LEU A 77 -2.611 1.803 4.439 1.00 0.35 H new ATOM 0 HD22 LEU A 77 -3.504 0.710 5.523 1.00 0.35 H new ATOM 0 HD23 LEU A 77 -3.022 2.327 6.089 1.00 0.35 H new ATOM 691 N ARG A 78 -1.507 0.396 10.617 1.00 0.37 N ATOM 692 CA ARG A 78 -2.003 -0.020 11.926 1.00 0.43 C ATOM 693 C ARG A 78 -2.233 1.137 12.901 1.00 0.45 C ATOM 694 O ARG A 78 -3.223 1.118 13.634 1.00 0.53 O ATOM 695 CB ARG A 78 -1.113 -1.143 12.472 1.00 0.49 C ATOM 696 CG ARG A 78 -0.049 -0.727 13.499 1.00 0.56 C ATOM 697 CD ARG A 78 0.593 -1.936 14.191 1.00 0.85 C ATOM 698 NE ARG A 78 1.646 -2.563 13.375 1.00 1.91 N ATOM 699 CZ ARG A 78 1.771 -3.831 13.027 1.00 2.98 C ATOM 700 NH1 ARG A 78 0.827 -4.716 13.151 1.00 3.46 N ATOM 701 NH2 ARG A 78 2.904 -4.228 12.542 1.00 4.61 N ATOM 0 H ARG A 78 -0.585 0.025 10.388 1.00 0.37 H new ATOM 0 HA ARG A 78 -3.008 -0.423 11.800 1.00 0.43 H new ATOM 0 HB2 ARG A 78 -1.754 -1.897 12.929 1.00 0.49 H new ATOM 0 HB3 ARG A 78 -0.610 -1.620 11.631 1.00 0.49 H new ATOM 0 HG2 ARG A 78 0.725 -0.142 13.001 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -0.504 -0.080 14.249 1.00 0.56 H new ATOM 0 HD2 ARG A 78 1.017 -1.621 15.145 1.00 0.85 H new ATOM 0 HD3 ARG A 78 -0.178 -2.674 14.413 1.00 0.85 H new ATOM 0 HE ARG A 78 2.374 -1.936 13.034 1.00 1.91 H new ATOM 0 HH11 ARG A 78 -0.078 -4.446 13.537 1.00 3.46 H new ATOM 0 HH12 ARG A 78 0.991 -5.680 12.862 1.00 3.46 H new ATOM 0 HH21 ARG A 78 3.673 -3.567 12.437 1.00 4.61 H new ATOM 0 HH22 ARG A 78 3.027 -5.202 12.265 1.00 4.61 H new ATOM 715 N LEU A 79 -1.380 2.165 12.892 1.00 0.39 N ATOM 716 CA LEU A 79 -1.529 3.372 13.709 1.00 0.40 C ATOM 717 C LEU A 79 -2.782 4.166 13.326 1.00 0.40 C ATOM 718 O LEU A 79 -3.466 4.692 14.201 1.00 0.44 O ATOM 719 CB LEU A 79 -0.277 4.238 13.515 1.00 0.37 C ATOM 720 CG LEU A 79 0.987 3.702 14.209 1.00 0.43 C ATOM 721 CD1 LEU A 79 2.181 4.519 13.711 1.00 0.42 C ATOM 722 CD2 LEU A 79 0.897 3.833 15.731 1.00 0.54 C ATOM 0 H LEU A 79 -0.548 2.181 12.303 1.00 0.39 H new ATOM 0 HA LEU A 79 -1.640 3.083 14.754 1.00 0.40 H new ATOM 0 HB2 LEU A 79 -0.078 4.331 12.447 1.00 0.37 H new ATOM 0 HB3 LEU A 79 -0.483 5.241 13.889 1.00 0.37 H new ATOM 0 HG LEU A 79 1.096 2.644 13.971 1.00 0.43 H new ATOM 0 HD11 LEU A 79 3.093 4.159 14.188 1.00 0.42 H new ATOM 0 HD12 LEU A 79 2.270 4.411 12.630 1.00 0.42 H new ATOM 0 HD13 LEU A 79 2.032 5.570 13.959 1.00 0.42 H new ATOM 0 HD21 LEU A 79 1.809 3.444 16.184 1.00 0.54 H new ATOM 0 HD22 LEU A 79 0.778 4.883 15.999 1.00 0.54 H new ATOM 0 HD23 LEU A 79 0.040 3.266 16.095 1.00 0.54 H new ATOM 734 N HIS A 80 -3.128 4.179 12.038 1.00 0.36 N ATOM 735 CA HIS A 80 -4.392 4.700 11.525 1.00 0.36 C ATOM 736 C HIS A 80 -5.597 3.766 11.758 1.00 0.39 C ATOM 737 O HIS A 80 -6.708 4.121 11.375 1.00 0.42 O ATOM 738 CB HIS A 80 -4.205 5.073 10.045 1.00 0.32 C ATOM 739 CG HIS A 80 -3.611 6.448 9.879 1.00 0.30 C ATOM 740 ND1 HIS A 80 -4.291 7.614 10.102 1.00 0.34 N ATOM 741 CD2 HIS A 80 -2.332 6.799 9.538 1.00 0.26 C ATOM 742 CE1 HIS A 80 -3.470 8.645 9.899 1.00 0.30 C ATOM 743 NE2 HIS A 80 -2.252 8.203 9.529 1.00 0.27 N ATOM 0 H HIS A 80 -2.519 3.817 11.304 1.00 0.36 H new ATOM 0 HA HIS A 80 -4.647 5.593 12.096 1.00 0.36 H new ATOM 0 HB2 HIS A 80 -3.558 4.339 9.565 1.00 0.32 H new ATOM 0 HB3 HIS A 80 -5.168 5.030 9.536 1.00 0.32 H new ATOM 0 HD2 HIS A 80 -1.525 6.116 9.315 1.00 0.26 H new ATOM 0 HE1 HIS A 80 -3.742 9.684 10.014 1.00 0.30 H new ATOM 0 HE2 HIS A 80 -1.439 8.771 9.291 1.00 0.27 H new ATOM 751 N GLY A 81 -5.434 2.614 12.415 1.00 0.42 N ATOM 752 CA GLY A 81 -6.529 1.676 12.702 1.00 0.48 C ATOM 753 C GLY A 81 -6.836 0.682 11.574 1.00 0.52 C ATOM 754 O GLY A 81 -7.807 -0.072 11.674 1.00 0.63 O ATOM 0 H GLY A 81 -4.529 2.301 12.767 1.00 0.42 H new ATOM 0 HA2 GLY A 81 -6.282 1.116 13.604 1.00 0.48 H new ATOM 0 HA3 GLY A 81 -7.431 2.248 12.919 1.00 0.48 H new ATOM 758 N VAL A 82 -6.023 0.671 10.510 1.00 0.48 N ATOM 759 CA VAL A 82 -6.267 -0.094 9.279 1.00 0.51 C ATOM 760 C VAL A 82 -5.362 -1.323 9.225 1.00 0.53 C ATOM 761 O VAL A 82 -4.141 -1.218 9.139 1.00 0.63 O ATOM 762 CB VAL A 82 -6.127 0.794 8.028 1.00 0.53 C ATOM 763 CG1 VAL A 82 -6.562 0.024 6.775 1.00 0.58 C ATOM 764 CG2 VAL A 82 -7.005 2.053 8.118 1.00 0.55 C ATOM 0 H VAL A 82 -5.156 1.207 10.480 1.00 0.48 H new ATOM 0 HA VAL A 82 -7.298 -0.449 9.291 1.00 0.51 H new ATOM 0 HB VAL A 82 -5.077 1.082 7.968 1.00 0.53 H new ATOM 0 HG11 VAL A 82 -6.457 0.665 5.900 1.00 0.58 H new ATOM 0 HG12 VAL A 82 -5.935 -0.860 6.655 1.00 0.58 H new ATOM 0 HG13 VAL A 82 -7.603 -0.281 6.879 1.00 0.58 H new ATOM 0 HG21 VAL A 82 -6.877 2.651 7.216 1.00 0.55 H new ATOM 0 HG22 VAL A 82 -8.051 1.761 8.214 1.00 0.55 H new ATOM 0 HG23 VAL A 82 -6.711 2.640 8.988 1.00 0.55 H new ATOM 774 N ARG A 83 -5.981 -2.502 9.291 1.00 0.43 N ATOM 775 CA ARG A 83 -5.363 -3.808 9.513 1.00 0.40 C ATOM 776 C ARG A 83 -5.776 -4.820 8.450 1.00 0.42 C ATOM 777 O ARG A 83 -5.026 -5.721 8.080 1.00 0.71 O ATOM 778 CB ARG A 83 -5.777 -4.282 10.909 1.00 0.77 C ATOM 779 CG ARG A 83 -5.618 -3.208 11.999 1.00 1.84 C ATOM 780 CD ARG A 83 -5.733 -3.782 13.415 1.00 2.68 C ATOM 781 NE ARG A 83 -5.695 -2.709 14.434 1.00 4.36 N ATOM 782 CZ ARG A 83 -6.725 -2.162 15.061 1.00 5.19 C ATOM 783 NH1 ARG A 83 -7.953 -2.533 14.862 1.00 4.92 N ATOM 784 NH2 ARG A 83 -6.561 -1.195 15.914 1.00 6.83 N ATOM 0 H ARG A 83 -6.993 -2.574 9.184 1.00 0.43 H new ATOM 0 HA ARG A 83 -4.279 -3.718 9.443 1.00 0.40 H new ATOM 0 HB2 ARG A 83 -6.817 -4.606 10.879 1.00 0.77 H new ATOM 0 HB3 ARG A 83 -5.180 -5.153 11.179 1.00 0.77 H new ATOM 0 HG2 ARG A 83 -4.649 -2.722 11.886 1.00 1.84 H new ATOM 0 HG3 ARG A 83 -6.378 -2.439 11.860 1.00 1.84 H new ATOM 0 HD2 ARG A 83 -6.663 -4.342 13.508 1.00 2.68 H new ATOM 0 HD3 ARG A 83 -4.919 -4.484 13.592 1.00 2.68 H new ATOM 0 HE ARG A 83 -4.772 -2.351 14.681 1.00 4.36 H new ATOM 0 HH11 ARG A 83 -8.159 -3.278 14.197 1.00 4.92 H new ATOM 0 HH12 ARG A 83 -8.712 -2.079 15.371 1.00 4.92 H new ATOM 0 HH21 ARG A 83 -5.624 -0.843 16.112 1.00 6.83 H new ATOM 0 HH22 ARG A 83 -7.369 -0.788 16.386 1.00 6.83 H new ATOM 798 N ASP A 84 -6.976 -4.617 7.933 1.00 0.58 N ATOM 799 CA ASP A 84 -7.629 -5.331 6.829 1.00 0.71 C ATOM 800 C ASP A 84 -7.225 -4.802 5.436 1.00 0.49 C ATOM 801 O ASP A 84 -8.033 -4.803 4.506 1.00 0.53 O ATOM 802 CB ASP A 84 -9.142 -5.419 7.082 1.00 1.28 C ATOM 803 CG ASP A 84 -9.909 -6.262 6.057 1.00 2.84 C ATOM 804 OD1 ASP A 84 -9.565 -7.447 5.826 1.00 4.22 O ATOM 805 OD2 ASP A 84 -10.900 -5.737 5.489 1.00 3.52 O ATOM 0 H ASP A 84 -7.580 -3.883 8.304 1.00 0.58 H new ATOM 0 HA ASP A 84 -7.259 -6.356 6.810 1.00 0.71 H new ATOM 0 HB2 ASP A 84 -9.308 -5.837 8.075 1.00 1.28 H new ATOM 0 HB3 ASP A 84 -9.556 -4.411 7.087 1.00 1.28 H new ATOM 810 N TYR A 85 -5.982 -4.333 5.261 1.00 0.37 N ATOM 811 CA TYR A 85 -5.413 -4.384 3.921 1.00 0.32 C ATOM 812 C TYR A 85 -5.205 -5.853 3.529 1.00 0.41 C ATOM 813 O TYR A 85 -5.075 -6.749 4.370 1.00 0.57 O ATOM 814 CB TYR A 85 -4.034 -3.686 3.826 1.00 0.32 C ATOM 815 CG TYR A 85 -3.091 -3.986 4.965 1.00 0.41 C ATOM 816 CD1 TYR A 85 -3.133 -3.268 6.178 1.00 1.84 C ATOM 817 CD2 TYR A 85 -2.215 -5.067 4.804 1.00 1.64 C ATOM 818 CE1 TYR A 85 -2.318 -3.666 7.254 1.00 1.91 C ATOM 819 CE2 TYR A 85 -1.387 -5.458 5.875 1.00 1.66 C ATOM 820 CZ TYR A 85 -1.453 -4.772 7.108 1.00 0.70 C ATOM 821 OH TYR A 85 -0.710 -5.199 8.159 1.00 0.88 O ATOM 0 H TYR A 85 -5.386 -3.937 5.988 1.00 0.37 H new ATOM 0 HA TYR A 85 -6.109 -3.867 3.260 1.00 0.32 H new ATOM 0 HB2 TYR A 85 -3.557 -3.981 2.891 1.00 0.32 H new ATOM 0 HB3 TYR A 85 -4.191 -2.608 3.777 1.00 0.32 H new ATOM 0 HD1 TYR A 85 -3.788 -2.416 6.281 1.00 1.84 H new ATOM 0 HD2 TYR A 85 -2.174 -5.598 3.864 1.00 1.64 H new ATOM 0 HE1 TYR A 85 -2.354 -3.127 8.189 1.00 1.91 H new ATOM 0 HE2 TYR A 85 -0.701 -6.283 5.753 1.00 1.66 H new ATOM 0 HH TYR A 85 -0.561 -6.165 8.083 1.00 0.88 H new ATOM 831 N ALA A 86 -5.084 -6.058 2.225 1.00 0.36 N ATOM 832 CA ALA A 86 -4.495 -7.258 1.655 1.00 0.36 C ATOM 833 C ALA A 86 -3.057 -6.893 1.290 1.00 0.31 C ATOM 834 O ALA A 86 -2.841 -6.026 0.438 1.00 0.31 O ATOM 835 CB ALA A 86 -5.342 -7.712 0.463 1.00 0.40 C ATOM 0 H ALA A 86 -5.397 -5.385 1.525 1.00 0.36 H new ATOM 0 HA ALA A 86 -4.476 -8.103 2.343 1.00 0.36 H new ATOM 0 HB1 ALA A 86 -4.907 -8.612 0.029 1.00 0.40 H new ATOM 0 HB2 ALA A 86 -6.357 -7.925 0.798 1.00 0.40 H new ATOM 0 HB3 ALA A 86 -5.366 -6.922 -0.288 1.00 0.40 H new ATOM 841 N ALA A 87 -2.077 -7.478 1.985 1.00 0.32 N ATOM 842 CA ALA A 87 -0.679 -7.222 1.674 1.00 0.29 C ATOM 843 C ALA A 87 -0.225 -8.252 0.611 1.00 0.26 C ATOM 844 O ALA A 87 -0.194 -9.458 0.882 1.00 0.36 O ATOM 845 CB ALA A 87 0.192 -7.300 2.938 1.00 0.43 C ATOM 0 H ALA A 87 -2.229 -8.125 2.759 1.00 0.32 H new ATOM 0 HA ALA A 87 -0.565 -6.213 1.279 1.00 0.29 H new ATOM 0 HB1 ALA A 87 1.232 -7.105 2.676 1.00 0.43 H new ATOM 0 HB2 ALA A 87 -0.146 -6.556 3.659 1.00 0.43 H new ATOM 0 HB3 ALA A 87 0.109 -8.295 3.376 1.00 0.43 H new ATOM 851 N TYR A 88 0.131 -7.805 -0.588 1.00 0.27 N ATOM 852 CA TYR A 88 0.636 -8.623 -1.689 1.00 0.27 C ATOM 853 C TYR A 88 2.151 -8.747 -1.633 1.00 0.27 C ATOM 854 O TYR A 88 2.879 -7.767 -1.818 1.00 0.32 O ATOM 855 CB TYR A 88 0.182 -8.047 -3.038 1.00 0.33 C ATOM 856 CG TYR A 88 -1.270 -8.345 -3.353 1.00 0.46 C ATOM 857 CD1 TYR A 88 -2.306 -7.686 -2.663 1.00 1.85 C ATOM 858 CD2 TYR A 88 -1.581 -9.301 -4.336 1.00 1.87 C ATOM 859 CE1 TYR A 88 -3.653 -8.019 -2.917 1.00 1.98 C ATOM 860 CE2 TYR A 88 -2.924 -9.599 -4.626 1.00 1.89 C ATOM 861 CZ TYR A 88 -3.962 -8.993 -3.889 1.00 0.87 C ATOM 862 OH TYR A 88 -5.252 -9.347 -4.118 1.00 1.11 O ATOM 0 H TYR A 88 0.073 -6.816 -0.832 1.00 0.27 H new ATOM 0 HA TYR A 88 0.219 -9.625 -1.585 1.00 0.27 H new ATOM 0 HB2 TYR A 88 0.333 -6.967 -3.035 1.00 0.33 H new ATOM 0 HB3 TYR A 88 0.810 -8.454 -3.830 1.00 0.33 H new ATOM 0 HD1 TYR A 88 -2.068 -6.923 -1.937 1.00 1.85 H new ATOM 0 HD2 TYR A 88 -0.789 -9.806 -4.868 1.00 1.87 H new ATOM 0 HE1 TYR A 88 -4.445 -7.530 -2.369 1.00 1.98 H new ATOM 0 HE2 TYR A 88 -3.162 -10.295 -5.417 1.00 1.89 H new ATOM 0 HH TYR A 88 -5.284 -10.030 -4.820 1.00 1.11 H new ATOM 872 N ASN A 89 2.614 -9.983 -1.433 1.00 0.31 N ATOM 873 CA ASN A 89 3.990 -10.356 -1.523 1.00 0.33 C ATOM 874 C ASN A 89 4.398 -10.647 -2.971 1.00 0.32 C ATOM 875 O ASN A 89 4.017 -11.673 -3.553 1.00 0.39 O ATOM 876 CB ASN A 89 4.167 -11.566 -0.620 1.00 0.49 C ATOM 877 CG ASN A 89 5.628 -11.822 -0.401 1.00 1.12 C ATOM 878 OD1 ASN A 89 6.496 -11.487 -1.194 1.00 2.18 O ATOM 879 ND2 ASN A 89 5.947 -12.410 0.706 1.00 1.04 N ATOM 0 H ASN A 89 2.003 -10.765 -1.197 1.00 0.31 H new ATOM 0 HA ASN A 89 4.641 -9.543 -1.200 1.00 0.33 H new ATOM 0 HB2 ASN A 89 3.670 -11.395 0.335 1.00 0.49 H new ATOM 0 HB3 ASN A 89 3.698 -12.440 -1.071 1.00 0.49 H new ATOM 0 HD21 ASN A 89 6.927 -12.596 0.921 1.00 1.04 H new ATOM 0 HD22 ASN A 89 5.219 -12.687 1.364 1.00 1.04 H new ATOM 886 N VAL A 90 5.206 -9.752 -3.534 1.00 0.35 N ATOM 887 CA VAL A 90 5.719 -9.882 -4.909 1.00 0.45 C ATOM 888 C VAL A 90 6.934 -10.816 -5.060 1.00 0.55 C ATOM 889 O VAL A 90 7.321 -11.118 -6.188 1.00 0.82 O ATOM 890 CB VAL A 90 5.953 -8.508 -5.566 1.00 0.51 C ATOM 891 CG1 VAL A 90 4.721 -7.610 -5.386 1.00 0.49 C ATOM 892 CG2 VAL A 90 7.187 -7.767 -5.042 1.00 0.59 C ATOM 0 H VAL A 90 5.528 -8.912 -3.054 1.00 0.35 H new ATOM 0 HA VAL A 90 4.923 -10.384 -5.458 1.00 0.45 H new ATOM 0 HB VAL A 90 6.130 -8.719 -6.621 1.00 0.51 H new ATOM 0 HG11 VAL A 90 4.903 -6.644 -5.856 1.00 0.49 H new ATOM 0 HG12 VAL A 90 3.856 -8.082 -5.851 1.00 0.49 H new ATOM 0 HG13 VAL A 90 4.528 -7.466 -4.323 1.00 0.49 H new ATOM 0 HG21 VAL A 90 7.281 -6.810 -5.554 1.00 0.59 H new ATOM 0 HG22 VAL A 90 7.081 -7.596 -3.971 1.00 0.59 H new ATOM 0 HG23 VAL A 90 8.078 -8.367 -5.228 1.00 0.59 H new ATOM 902 N LEU A 91 7.521 -11.331 -3.968 1.00 0.50 N ATOM 903 CA LEU A 91 8.611 -12.325 -4.040 1.00 0.65 C ATOM 904 C LEU A 91 8.137 -13.657 -4.624 1.00 0.67 C ATOM 905 O LEU A 91 8.856 -14.283 -5.403 1.00 0.80 O ATOM 906 CB LEU A 91 9.176 -12.629 -2.643 1.00 0.75 C ATOM 907 CG LEU A 91 9.919 -11.490 -1.946 1.00 0.88 C ATOM 908 CD1 LEU A 91 10.229 -11.933 -0.518 1.00 0.93 C ATOM 909 CD2 LEU A 91 11.229 -11.147 -2.656 1.00 1.33 C ATOM 0 H LEU A 91 7.258 -11.075 -3.016 1.00 0.50 H new ATOM 0 HA LEU A 91 9.372 -11.883 -4.684 1.00 0.65 H new ATOM 0 HB2 LEU A 91 8.352 -12.941 -2.002 1.00 0.75 H new ATOM 0 HB3 LEU A 91 9.854 -13.478 -2.727 1.00 0.75 H new ATOM 0 HG LEU A 91 9.290 -10.600 -1.962 1.00 0.88 H new ATOM 0 HD11 LEU A 91 10.760 -11.136 0.003 1.00 0.93 H new ATOM 0 HD12 LEU A 91 9.298 -12.151 0.006 1.00 0.93 H new ATOM 0 HD13 LEU A 91 10.850 -12.828 -0.542 1.00 0.93 H new ATOM 0 HD21 LEU A 91 11.726 -10.333 -2.129 1.00 1.33 H new ATOM 0 HD22 LEU A 91 11.878 -12.023 -2.665 1.00 1.33 H new ATOM 0 HD23 LEU A 91 11.018 -10.841 -3.681 1.00 1.33 H new ATOM 921 N ASP A 92 6.925 -14.073 -4.258 1.00 0.69 N ATOM 922 CA ASP A 92 6.362 -15.386 -4.590 1.00 0.80 C ATOM 923 C ASP A 92 5.968 -15.513 -6.068 1.00 0.66 C ATOM 924 O ASP A 92 6.056 -16.594 -6.654 1.00 0.74 O ATOM 925 CB ASP A 92 5.152 -15.614 -3.686 1.00 1.01 C ATOM 926 CG ASP A 92 4.898 -17.085 -3.355 1.00 1.33 C ATOM 927 OD1 ASP A 92 5.834 -17.775 -2.882 1.00 2.53 O ATOM 928 OD2 ASP A 92 3.738 -17.542 -3.515 1.00 1.54 O ATOM 0 H ASP A 92 6.290 -13.494 -3.709 1.00 0.69 H new ATOM 0 HA ASP A 92 7.125 -16.147 -4.424 1.00 0.80 H new ATOM 0 HB2 ASP A 92 5.295 -15.062 -2.757 1.00 1.01 H new ATOM 0 HB3 ASP A 92 4.266 -15.202 -4.169 1.00 1.01 H new ATOM 933 N ASP A 93 5.538 -14.395 -6.654 1.00 0.57 N ATOM 934 CA ASP A 93 4.944 -14.280 -7.981 1.00 0.53 C ATOM 935 C ASP A 93 5.722 -13.306 -8.894 1.00 0.49 C ATOM 936 O ASP A 93 5.575 -12.084 -8.746 1.00 0.43 O ATOM 937 CB ASP A 93 3.509 -13.780 -7.793 1.00 0.80 C ATOM 938 CG ASP A 93 2.554 -14.882 -7.353 1.00 1.02 C ATOM 939 OD1 ASP A 93 2.243 -15.747 -8.204 1.00 1.55 O ATOM 940 OD2 ASP A 93 2.074 -14.871 -6.193 1.00 2.10 O ATOM 0 H ASP A 93 5.600 -13.492 -6.184 1.00 0.57 H new ATOM 0 HA ASP A 93 4.973 -15.253 -8.471 1.00 0.53 H new ATOM 0 HB2 ASP A 93 3.501 -12.981 -7.051 1.00 0.80 H new ATOM 0 HB3 ASP A 93 3.153 -13.349 -8.729 1.00 0.80 H new ATOM 945 N PRO A 94 6.492 -13.790 -9.890 1.00 0.59 N ATOM 946 CA PRO A 94 7.203 -12.912 -10.821 1.00 0.64 C ATOM 947 C PRO A 94 6.265 -12.081 -11.710 1.00 0.59 C ATOM 948 O PRO A 94 6.649 -11.012 -12.191 1.00 0.58 O ATOM 949 CB PRO A 94 8.101 -13.838 -11.632 1.00 0.83 C ATOM 950 CG PRO A 94 7.362 -15.170 -11.620 1.00 0.85 C ATOM 951 CD PRO A 94 6.781 -15.184 -10.207 1.00 0.72 C ATOM 0 HA PRO A 94 7.777 -12.157 -10.283 1.00 0.64 H new ATOM 0 HB2 PRO A 94 8.242 -13.469 -12.648 1.00 0.83 H new ATOM 0 HB3 PRO A 94 9.091 -13.927 -11.185 1.00 0.83 H new ATOM 0 HG2 PRO A 94 6.585 -15.215 -12.383 1.00 0.85 H new ATOM 0 HG3 PRO A 94 8.031 -16.012 -11.797 1.00 0.85 H new ATOM 0 HD2 PRO A 94 5.878 -15.792 -10.160 1.00 0.72 H new ATOM 0 HD3 PRO A 94 7.489 -15.609 -9.496 1.00 0.72 H new ATOM 959 N GLU A 95 5.017 -12.518 -11.876 1.00 0.61 N ATOM 960 CA GLU A 95 3.938 -11.748 -12.467 1.00 0.64 C ATOM 961 C GLU A 95 3.608 -10.473 -11.682 1.00 0.53 C ATOM 962 O GLU A 95 3.505 -9.391 -12.270 1.00 0.53 O ATOM 963 CB GLU A 95 2.699 -12.640 -12.503 1.00 0.78 C ATOM 964 CG GLU A 95 2.834 -13.927 -13.327 1.00 0.95 C ATOM 965 CD GLU A 95 2.880 -15.150 -12.414 1.00 2.56 C ATOM 966 OE1 GLU A 95 3.908 -15.365 -11.732 1.00 3.70 O ATOM 967 OE2 GLU A 95 1.861 -15.876 -12.310 1.00 3.89 O ATOM 0 H GLU A 95 4.725 -13.453 -11.590 1.00 0.61 H new ATOM 0 HA GLU A 95 4.253 -11.433 -13.462 1.00 0.64 H new ATOM 0 HB2 GLU A 95 2.438 -12.910 -11.480 1.00 0.78 H new ATOM 0 HB3 GLU A 95 1.867 -12.060 -12.902 1.00 0.78 H new ATOM 0 HG2 GLU A 95 1.994 -14.013 -14.016 1.00 0.95 H new ATOM 0 HG3 GLU A 95 3.740 -13.884 -13.932 1.00 0.95 H new ATOM 974 N LEU A 96 3.483 -10.587 -10.354 1.00 0.48 N ATOM 975 CA LEU A 96 3.274 -9.438 -9.468 1.00 0.44 C ATOM 976 C LEU A 96 4.524 -8.548 -9.464 1.00 0.37 C ATOM 977 O LEU A 96 4.408 -7.327 -9.531 1.00 0.40 O ATOM 978 CB LEU A 96 2.959 -9.867 -8.020 1.00 0.48 C ATOM 979 CG LEU A 96 1.638 -10.608 -7.742 1.00 0.46 C ATOM 980 CD1 LEU A 96 1.541 -10.894 -6.237 1.00 0.55 C ATOM 981 CD2 LEU A 96 0.402 -9.794 -8.126 1.00 0.61 C ATOM 0 H LEU A 96 3.524 -11.481 -9.864 1.00 0.48 H new ATOM 0 HA LEU A 96 2.415 -8.888 -9.852 1.00 0.44 H new ATOM 0 HB2 LEU A 96 3.774 -10.505 -7.679 1.00 0.48 H new ATOM 0 HB3 LEU A 96 2.973 -8.971 -7.399 1.00 0.48 H new ATOM 0 HG LEU A 96 1.653 -11.516 -8.344 1.00 0.46 H new ATOM 0 HD11 LEU A 96 0.609 -11.419 -6.026 1.00 0.55 H new ATOM 0 HD12 LEU A 96 2.384 -11.513 -5.929 1.00 0.55 H new ATOM 0 HD13 LEU A 96 1.561 -9.954 -5.686 1.00 0.55 H new ATOM 0 HD21 LEU A 96 -0.496 -10.371 -7.906 1.00 0.61 H new ATOM 0 HD22 LEU A 96 0.386 -8.866 -7.555 1.00 0.61 H new ATOM 0 HD23 LEU A 96 0.434 -9.565 -9.191 1.00 0.61 H new ATOM 993 N ARG A 97 5.715 -9.161 -9.438 1.00 0.36 N ATOM 994 CA ARG A 97 7.021 -8.479 -9.448 1.00 0.39 C ATOM 995 C ARG A 97 7.147 -7.535 -10.643 1.00 0.39 C ATOM 996 O ARG A 97 7.321 -6.333 -10.461 1.00 0.39 O ATOM 997 CB ARG A 97 8.119 -9.555 -9.427 1.00 0.51 C ATOM 998 CG ARG A 97 9.552 -9.033 -9.262 1.00 0.85 C ATOM 999 CD ARG A 97 10.555 -10.200 -9.256 1.00 1.12 C ATOM 1000 NE ARG A 97 10.643 -10.893 -10.554 1.00 2.43 N ATOM 1001 CZ ARG A 97 11.366 -11.960 -10.828 1.00 2.90 C ATOM 1002 NH1 ARG A 97 12.136 -12.542 -9.960 1.00 2.18 N ATOM 1003 NH2 ARG A 97 11.316 -12.486 -12.011 1.00 4.42 N ATOM 0 H ARG A 97 5.801 -10.177 -9.408 1.00 0.36 H new ATOM 0 HA ARG A 97 7.125 -7.848 -8.566 1.00 0.39 H new ATOM 0 HB2 ARG A 97 7.908 -10.249 -8.613 1.00 0.51 H new ATOM 0 HB3 ARG A 97 8.063 -10.125 -10.355 1.00 0.51 H new ATOM 0 HG2 ARG A 97 9.790 -8.346 -10.074 1.00 0.85 H new ATOM 0 HG3 ARG A 97 9.635 -8.470 -8.332 1.00 0.85 H new ATOM 0 HD2 ARG A 97 11.541 -9.823 -8.985 1.00 1.12 H new ATOM 0 HD3 ARG A 97 10.265 -10.916 -8.487 1.00 1.12 H new ATOM 0 HE ARG A 97 10.088 -10.507 -11.318 1.00 2.43 H new ATOM 0 HH11 ARG A 97 12.203 -12.175 -9.011 1.00 2.18 H new ATOM 0 HH12 ARG A 97 12.674 -13.366 -10.227 1.00 2.18 H new ATOM 0 HH21 ARG A 97 10.718 -12.074 -12.727 1.00 4.42 H new ATOM 0 HH22 ARG A 97 11.875 -13.312 -12.226 1.00 4.42 H new ATOM 1017 N GLN A 98 6.987 -8.048 -11.863 1.00 0.43 N ATOM 1018 CA GLN A 98 7.071 -7.221 -13.073 1.00 0.48 C ATOM 1019 C GLN A 98 5.886 -6.280 -13.206 1.00 0.48 C ATOM 1020 O GLN A 98 6.055 -5.116 -13.584 1.00 0.52 O ATOM 1021 CB GLN A 98 7.179 -8.125 -14.312 1.00 0.58 C ATOM 1022 CG GLN A 98 7.770 -7.432 -15.553 1.00 0.98 C ATOM 1023 CD GLN A 98 6.728 -6.940 -16.555 1.00 2.17 C ATOM 1024 OE1 GLN A 98 6.410 -7.603 -17.536 1.00 3.09 O ATOM 1025 NE2 GLN A 98 6.172 -5.763 -16.379 1.00 3.17 N ATOM 0 H GLN A 98 6.798 -9.034 -12.043 1.00 0.43 H new ATOM 0 HA GLN A 98 7.964 -6.602 -12.992 1.00 0.48 H new ATOM 0 HB2 GLN A 98 7.796 -8.989 -14.064 1.00 0.58 H new ATOM 0 HB3 GLN A 98 6.187 -8.503 -14.559 1.00 0.58 H new ATOM 0 HG2 GLN A 98 8.373 -6.584 -15.228 1.00 0.98 H new ATOM 0 HG3 GLN A 98 8.442 -8.127 -16.057 1.00 0.98 H new ATOM 0 HE21 GLN A 98 6.423 -5.196 -15.569 1.00 3.17 H new ATOM 0 HE22 GLN A 98 5.489 -5.416 -17.052 1.00 3.17 H new ATOM 1034 N GLY A 99 4.702 -6.786 -12.864 1.00 0.47 N ATOM 1035 CA GLY A 99 3.474 -6.007 -12.870 1.00 0.50 C ATOM 1036 C GLY A 99 3.603 -4.728 -12.044 1.00 0.48 C ATOM 1037 O GLY A 99 3.239 -3.663 -12.532 1.00 0.52 O ATOM 0 H GLY A 99 4.572 -7.755 -12.574 1.00 0.47 H new ATOM 0 HA2 GLY A 99 3.212 -5.751 -13.897 1.00 0.50 H new ATOM 0 HA3 GLY A 99 2.658 -6.613 -12.475 1.00 0.50 H new ATOM 1041 N ILE A 100 4.195 -4.798 -10.847 1.00 0.43 N ATOM 1042 CA ILE A 100 4.293 -3.661 -9.936 1.00 0.46 C ATOM 1043 C ILE A 100 5.529 -2.796 -10.199 1.00 0.51 C ATOM 1044 O ILE A 100 5.428 -1.571 -10.148 1.00 0.56 O ATOM 1045 CB ILE A 100 4.139 -4.147 -8.493 1.00 0.43 C ATOM 1046 CG1 ILE A 100 3.372 -3.112 -7.671 1.00 0.46 C ATOM 1047 CG2 ILE A 100 5.467 -4.488 -7.797 1.00 0.48 C ATOM 1048 CD1 ILE A 100 1.917 -2.825 -8.077 1.00 0.65 C ATOM 0 H ILE A 100 4.621 -5.651 -10.484 1.00 0.43 H new ATOM 0 HA ILE A 100 3.468 -2.975 -10.126 1.00 0.46 H new ATOM 0 HB ILE A 100 3.580 -5.081 -8.551 1.00 0.43 H new ATOM 0 HG12 ILE A 100 3.374 -3.439 -6.631 1.00 0.46 H new ATOM 0 HG13 ILE A 100 3.925 -2.173 -7.711 1.00 0.46 H new ATOM 0 HG21 ILE A 100 5.269 -4.824 -6.779 1.00 0.48 H new ATOM 0 HG22 ILE A 100 5.974 -5.280 -8.348 1.00 0.48 H new ATOM 0 HG23 ILE A 100 6.101 -3.602 -7.769 1.00 0.48 H new ATOM 0 HD11 ILE A 100 1.495 -2.073 -7.411 1.00 0.65 H new ATOM 0 HD12 ILE A 100 1.891 -2.457 -9.103 1.00 0.65 H new ATOM 0 HD13 ILE A 100 1.332 -3.742 -8.006 1.00 0.65 H new ATOM 1060 N LYS A 101 6.665 -3.402 -10.590 1.00 0.52 N ATOM 1061 CA LYS A 101 7.838 -2.647 -11.073 1.00 0.58 C ATOM 1062 C LYS A 101 7.490 -1.759 -12.267 1.00 0.63 C ATOM 1063 O LYS A 101 8.037 -0.661 -12.393 1.00 0.71 O ATOM 1064 CB LYS A 101 8.992 -3.594 -11.436 1.00 0.59 C ATOM 1065 CG LYS A 101 9.696 -4.161 -10.191 1.00 0.60 C ATOM 1066 CD LYS A 101 10.815 -5.132 -10.591 1.00 0.66 C ATOM 1067 CE LYS A 101 11.430 -5.775 -9.344 1.00 2.17 C ATOM 1068 NZ LYS A 101 12.550 -6.681 -9.689 1.00 2.27 N ATOM 0 H LYS A 101 6.796 -4.413 -10.581 1.00 0.52 H new ATOM 0 HA LYS A 101 8.159 -2.000 -10.256 1.00 0.58 H new ATOM 0 HB2 LYS A 101 8.608 -4.416 -12.040 1.00 0.59 H new ATOM 0 HB3 LYS A 101 9.718 -3.060 -12.050 1.00 0.59 H new ATOM 0 HG2 LYS A 101 10.111 -3.345 -9.599 1.00 0.60 H new ATOM 0 HG3 LYS A 101 8.971 -4.675 -9.560 1.00 0.60 H new ATOM 0 HD2 LYS A 101 10.418 -5.905 -11.249 1.00 0.66 H new ATOM 0 HD3 LYS A 101 11.584 -4.601 -11.152 1.00 0.66 H new ATOM 0 HE2 LYS A 101 11.787 -4.995 -8.671 1.00 2.17 H new ATOM 0 HE3 LYS A 101 10.663 -6.333 -8.807 1.00 2.17 H new ATOM 0 HZ1 LYS A 101 12.940 -7.097 -8.819 1.00 2.27 H new ATOM 0 HZ2 LYS A 101 12.204 -7.440 -10.311 1.00 2.27 H new ATOM 0 HZ3 LYS A 101 13.293 -6.143 -10.179 1.00 2.27 H new ATOM 1082 N ASP A 102 6.558 -2.200 -13.115 1.00 0.64 N ATOM 1083 CA ASP A 102 6.012 -1.368 -14.184 1.00 0.75 C ATOM 1084 C ASP A 102 4.924 -0.393 -13.675 1.00 0.79 C ATOM 1085 O ASP A 102 5.117 0.823 -13.726 1.00 0.95 O ATOM 1086 CB ASP A 102 5.540 -2.274 -15.334 1.00 0.78 C ATOM 1087 CG ASP A 102 5.310 -1.517 -16.643 1.00 0.95 C ATOM 1088 OD1 ASP A 102 6.113 -0.612 -16.972 1.00 1.97 O ATOM 1089 OD2 ASP A 102 4.373 -1.882 -17.392 1.00 1.50 O ATOM 0 H ASP A 102 6.164 -3.140 -13.079 1.00 0.64 H new ATOM 0 HA ASP A 102 6.796 -0.717 -14.570 1.00 0.75 H new ATOM 0 HB2 ASP A 102 6.281 -3.056 -15.500 1.00 0.78 H new ATOM 0 HB3 ASP A 102 4.614 -2.769 -15.041 1.00 0.78 H new ATOM 1094 N TYR A 103 3.809 -0.893 -13.128 1.00 0.69 N ATOM 1095 CA TYR A 103 2.615 -0.105 -12.778 1.00 0.71 C ATOM 1096 C TYR A 103 2.868 0.971 -11.704 1.00 0.86 C ATOM 1097 O TYR A 103 2.319 2.069 -11.794 1.00 0.99 O ATOM 1098 CB TYR A 103 1.531 -1.096 -12.323 1.00 0.61 C ATOM 1099 CG TYR A 103 0.110 -0.574 -12.235 1.00 0.55 C ATOM 1100 CD1 TYR A 103 -0.310 0.134 -11.096 1.00 1.89 C ATOM 1101 CD2 TYR A 103 -0.823 -0.904 -13.238 1.00 1.98 C ATOM 1102 CE1 TYR A 103 -1.663 0.503 -10.952 1.00 1.81 C ATOM 1103 CE2 TYR A 103 -2.187 -0.580 -13.072 1.00 2.08 C ATOM 1104 CZ TYR A 103 -2.606 0.136 -11.934 1.00 0.64 C ATOM 1105 OH TYR A 103 -3.912 0.492 -11.808 1.00 0.76 O ATOM 0 H TYR A 103 3.707 -1.884 -12.910 1.00 0.69 H new ATOM 0 HA TYR A 103 2.300 0.456 -13.658 1.00 0.71 H new ATOM 0 HB2 TYR A 103 1.538 -1.943 -13.009 1.00 0.61 H new ATOM 0 HB3 TYR A 103 1.812 -1.478 -11.342 1.00 0.61 H new ATOM 0 HD1 TYR A 103 0.405 0.396 -10.330 1.00 1.89 H new ATOM 0 HD2 TYR A 103 -0.494 -1.406 -14.136 1.00 1.98 H new ATOM 0 HE1 TYR A 103 -1.978 1.068 -10.087 1.00 1.81 H new ATOM 0 HE2 TYR A 103 -2.909 -0.881 -13.817 1.00 2.08 H new ATOM 0 HH TYR A 103 -4.418 0.156 -12.577 1.00 0.76 H new ATOM 1115 N SER A 104 3.731 0.691 -10.721 1.00 0.90 N ATOM 1116 CA SER A 104 4.172 1.639 -9.679 1.00 1.10 C ATOM 1117 C SER A 104 5.525 2.301 -9.995 1.00 1.28 C ATOM 1118 O SER A 104 6.086 3.006 -9.154 1.00 1.54 O ATOM 1119 CB SER A 104 4.223 0.953 -8.309 1.00 1.24 C ATOM 1120 OG SER A 104 3.035 0.230 -8.053 1.00 2.38 O ATOM 0 H SER A 104 4.158 -0.230 -10.621 1.00 0.90 H new ATOM 0 HA SER A 104 3.430 2.437 -9.658 1.00 1.10 H new ATOM 0 HB2 SER A 104 5.078 0.278 -8.269 1.00 1.24 H new ATOM 0 HB3 SER A 104 4.371 1.701 -7.530 1.00 1.24 H new ATOM 0 HG SER A 104 2.272 0.845 -8.047 1.00 2.38 H new ATOM 1126 N ASN A 105 6.049 2.071 -11.207 1.00 1.20 N ATOM 1127 CA ASN A 105 7.208 2.740 -11.817 1.00 1.30 C ATOM 1128 C ASN A 105 8.542 2.708 -11.030 1.00 1.25 C ATOM 1129 O ASN A 105 9.429 3.514 -11.326 1.00 1.34 O ATOM 1130 CB ASN A 105 6.787 4.156 -12.277 1.00 1.55 C ATOM 1131 CG ASN A 105 7.313 4.531 -13.648 1.00 1.66 C ATOM 1132 OD1 ASN A 105 6.634 4.380 -14.656 1.00 1.89 O ATOM 1133 ND2 ASN A 105 8.521 5.021 -13.742 1.00 1.63 N ATOM 0 H ASN A 105 5.649 1.367 -11.828 1.00 1.20 H new ATOM 0 HA ASN A 105 7.483 2.133 -12.680 1.00 1.30 H new ATOM 0 HB2 ASN A 105 5.699 4.217 -12.286 1.00 1.55 H new ATOM 0 HB3 ASN A 105 7.142 4.886 -11.549 1.00 1.55 H new ATOM 0 HD21 ASN A 105 8.898 5.277 -14.655 1.00 1.63 H new ATOM 0 HD22 ASN A 105 9.087 5.147 -12.903 1.00 1.63 H new ATOM 1140 N TRP A 106 8.723 1.802 -10.058 1.00 1.12 N ATOM 1141 CA TRP A 106 9.987 1.638 -9.308 1.00 0.95 C ATOM 1142 C TRP A 106 10.513 0.203 -9.313 1.00 0.83 C ATOM 1143 O TRP A 106 9.746 -0.711 -8.999 1.00 0.98 O ATOM 1144 CB TRP A 106 9.874 2.077 -7.836 1.00 1.11 C ATOM 1145 CG TRP A 106 10.746 3.243 -7.477 1.00 1.11 C ATOM 1146 CD1 TRP A 106 11.905 3.186 -6.780 1.00 1.12 C ATOM 1147 CD2 TRP A 106 10.542 4.658 -7.788 1.00 1.26 C ATOM 1148 NE1 TRP A 106 12.403 4.460 -6.598 1.00 1.21 N ATOM 1149 CE2 TRP A 106 11.607 5.407 -7.203 1.00 1.28 C ATOM 1150 CE3 TRP A 106 9.560 5.387 -8.497 1.00 1.50 C ATOM 1151 CZ2 TRP A 106 11.685 6.805 -7.293 1.00 1.46 C ATOM 1152 CZ3 TRP A 106 9.629 6.792 -8.594 1.00 1.74 C ATOM 1153 CH2 TRP A 106 10.682 7.502 -7.989 1.00 1.70 C ATOM 0 H TRP A 106 7.992 1.154 -9.764 1.00 1.12 H new ATOM 0 HA TRP A 106 10.684 2.286 -9.839 1.00 0.95 H new ATOM 0 HB2 TRP A 106 8.836 2.334 -7.623 1.00 1.11 H new ATOM 0 HB3 TRP A 106 10.131 1.233 -7.195 1.00 1.11 H new ATOM 0 HD1 TRP A 106 12.370 2.280 -6.420 1.00 1.12 H new ATOM 0 HE1 TRP A 106 13.255 4.674 -6.080 1.00 1.21 H new ATOM 0 HE3 TRP A 106 8.745 4.860 -8.971 1.00 1.50 H new ATOM 0 HZ2 TRP A 106 12.504 7.338 -6.834 1.00 1.46 H new ATOM 0 HZ3 TRP A 106 8.866 7.328 -9.138 1.00 1.74 H new ATOM 0 HH2 TRP A 106 10.720 8.579 -8.059 1.00 1.70 H new ATOM 1164 N PRO A 107 11.833 -0.002 -9.488 1.00 0.73 N ATOM 1165 CA PRO A 107 12.440 -1.318 -9.328 1.00 0.77 C ATOM 1166 C PRO A 107 12.393 -1.842 -7.882 1.00 0.73 C ATOM 1167 O PRO A 107 12.425 -3.059 -7.716 1.00 0.85 O ATOM 1168 CB PRO A 107 13.876 -1.170 -9.843 1.00 0.89 C ATOM 1169 CG PRO A 107 14.193 0.307 -9.614 1.00 1.01 C ATOM 1170 CD PRO A 107 12.845 0.983 -9.854 1.00 0.79 C ATOM 0 HA PRO A 107 11.882 -2.067 -9.890 1.00 0.77 H new ATOM 0 HB2 PRO A 107 14.565 -1.816 -9.299 1.00 0.89 H new ATOM 0 HB3 PRO A 107 13.953 -1.437 -10.897 1.00 0.89 H new ATOM 0 HG2 PRO A 107 14.563 0.490 -8.605 1.00 1.01 H new ATOM 0 HG3 PRO A 107 14.956 0.669 -10.304 1.00 1.01 H new ATOM 0 HD2 PRO A 107 12.748 1.886 -9.251 1.00 0.79 H new ATOM 0 HD3 PRO A 107 12.739 1.283 -10.896 1.00 0.79 H new ATOM 1178 N THR A 108 12.332 -0.986 -6.840 1.00 0.72 N ATOM 1179 CA THR A 108 12.525 -1.456 -5.441 1.00 1.12 C ATOM 1180 C THR A 108 11.591 -0.979 -4.334 1.00 1.05 C ATOM 1181 O THR A 108 11.561 -1.567 -3.250 1.00 2.35 O ATOM 1182 CB THR A 108 13.968 -1.227 -4.958 1.00 1.81 C ATOM 1183 OG1 THR A 108 14.189 0.153 -4.761 1.00 3.75 O ATOM 1184 CG2 THR A 108 15.032 -1.702 -5.936 1.00 2.91 C ATOM 0 H THR A 108 12.155 0.014 -6.931 1.00 0.72 H new ATOM 0 HA THR A 108 12.261 -2.505 -5.576 1.00 1.12 H new ATOM 0 HB THR A 108 14.060 -1.807 -4.040 1.00 1.81 H new ATOM 0 HG1 THR A 108 15.108 0.296 -4.452 1.00 3.75 H new ATOM 0 HG21 THR A 108 16.021 -1.505 -5.522 1.00 2.91 H new ATOM 0 HG22 THR A 108 14.917 -2.772 -6.107 1.00 2.91 H new ATOM 0 HG23 THR A 108 14.922 -1.170 -6.881 1.00 2.91 H new ATOM 1192 N ILE A 109 10.812 0.057 -4.598 1.00 0.98 N ATOM 1193 CA ILE A 109 9.919 0.673 -3.600 1.00 0.75 C ATOM 1194 C ILE A 109 8.654 -0.180 -3.403 1.00 0.84 C ATOM 1195 O ILE A 109 8.088 -0.616 -4.412 1.00 1.38 O ATOM 1196 CB ILE A 109 9.582 2.127 -4.012 1.00 1.15 C ATOM 1197 CG1 ILE A 109 10.747 3.087 -3.683 1.00 2.21 C ATOM 1198 CG2 ILE A 109 8.269 2.668 -3.425 1.00 1.15 C ATOM 1199 CD1 ILE A 109 10.909 3.429 -2.196 1.00 3.63 C ATOM 0 H ILE A 109 10.773 0.505 -5.513 1.00 0.98 H new ATOM 0 HA ILE A 109 10.431 0.712 -2.639 1.00 0.75 H new ATOM 0 HB ILE A 109 9.435 2.084 -5.091 1.00 1.15 H new ATOM 0 HG12 ILE A 109 11.676 2.642 -4.041 1.00 2.21 H new ATOM 0 HG13 ILE A 109 10.602 4.013 -4.239 1.00 2.21 H new ATOM 0 HG21 ILE A 109 8.113 3.692 -3.765 1.00 1.15 H new ATOM 0 HG22 ILE A 109 7.438 2.045 -3.756 1.00 1.15 H new ATOM 0 HG23 ILE A 109 8.323 2.652 -2.336 1.00 1.15 H new ATOM 0 HD11 ILE A 109 11.752 4.108 -2.069 1.00 3.63 H new ATOM 0 HD12 ILE A 109 10.000 3.907 -1.832 1.00 3.63 H new ATOM 0 HD13 ILE A 109 11.090 2.515 -1.630 1.00 3.63 H new ATOM 1211 N PRO A 110 8.170 -0.363 -2.153 1.00 0.67 N ATOM 1212 CA PRO A 110 6.841 -0.883 -1.852 1.00 0.77 C ATOM 1213 C PRO A 110 5.816 0.251 -1.645 1.00 0.48 C ATOM 1214 O PRO A 110 6.178 1.352 -1.213 1.00 0.47 O ATOM 1215 CB PRO A 110 7.049 -1.733 -0.610 1.00 1.13 C ATOM 1216 CG PRO A 110 8.170 -1.051 0.158 1.00 0.62 C ATOM 1217 CD PRO A 110 8.901 -0.206 -0.896 1.00 0.60 C ATOM 0 HA PRO A 110 6.420 -1.467 -2.670 1.00 0.77 H new ATOM 0 HB2 PRO A 110 6.139 -1.787 -0.013 1.00 1.13 H new ATOM 0 HB3 PRO A 110 7.318 -2.756 -0.874 1.00 1.13 H new ATOM 0 HG2 PRO A 110 7.778 -0.429 0.963 1.00 0.62 H new ATOM 0 HG3 PRO A 110 8.839 -1.780 0.615 1.00 0.62 H new ATOM 0 HD2 PRO A 110 8.932 0.842 -0.596 1.00 0.60 H new ATOM 0 HD3 PRO A 110 9.934 -0.537 -1.007 1.00 0.60 H new ATOM 1225 N GLN A 111 4.537 -0.002 -1.944 1.00 0.43 N ATOM 1226 CA GLN A 111 3.494 1.033 -2.055 1.00 0.43 C ATOM 1227 C GLN A 111 2.114 0.571 -1.552 1.00 0.36 C ATOM 1228 O GLN A 111 1.928 -0.593 -1.188 1.00 0.42 O ATOM 1229 CB GLN A 111 3.440 1.571 -3.507 1.00 0.89 C ATOM 1230 CG GLN A 111 3.350 0.538 -4.645 1.00 0.97 C ATOM 1231 CD GLN A 111 4.675 -0.168 -4.924 1.00 1.33 C ATOM 1232 OE1 GLN A 111 4.828 -1.363 -4.719 1.00 2.72 O ATOM 1233 NE2 GLN A 111 5.715 0.530 -5.320 1.00 1.40 N ATOM 0 H GLN A 111 4.189 -0.945 -2.119 1.00 0.43 H new ATOM 0 HA GLN A 111 3.772 1.849 -1.388 1.00 0.43 H new ATOM 0 HB2 GLN A 111 2.580 2.236 -3.588 1.00 0.89 H new ATOM 0 HB3 GLN A 111 4.329 2.179 -3.674 1.00 0.89 H new ATOM 0 HG2 GLN A 111 2.595 -0.207 -4.392 1.00 0.97 H new ATOM 0 HG3 GLN A 111 3.013 1.037 -5.554 1.00 0.97 H new ATOM 0 HE21 GLN A 111 5.620 1.530 -5.500 1.00 1.40 H new ATOM 0 HE22 GLN A 111 6.618 0.072 -5.448 1.00 1.40 H new ATOM 1242 N VAL A 112 1.132 1.483 -1.513 1.00 0.35 N ATOM 1243 CA VAL A 112 -0.262 1.175 -1.197 1.00 0.33 C ATOM 1244 C VAL A 112 -1.197 1.952 -2.118 1.00 0.34 C ATOM 1245 O VAL A 112 -0.949 3.116 -2.443 1.00 0.54 O ATOM 1246 CB VAL A 112 -0.550 1.403 0.299 1.00 0.34 C ATOM 1247 CG1 VAL A 112 -0.340 2.837 0.790 1.00 0.44 C ATOM 1248 CG2 VAL A 112 -1.962 0.956 0.702 1.00 0.31 C ATOM 0 H VAL A 112 1.292 2.472 -1.704 1.00 0.35 H new ATOM 0 HA VAL A 112 -0.449 0.117 -1.381 1.00 0.33 H new ATOM 0 HB VAL A 112 0.198 0.778 0.786 1.00 0.34 H new ATOM 0 HG11 VAL A 112 -0.568 2.894 1.854 1.00 0.44 H new ATOM 0 HG12 VAL A 112 0.697 3.130 0.625 1.00 0.44 H new ATOM 0 HG13 VAL A 112 -0.999 3.510 0.241 1.00 0.44 H new ATOM 0 HG21 VAL A 112 -2.112 1.139 1.766 1.00 0.31 H new ATOM 0 HG22 VAL A 112 -2.699 1.519 0.130 1.00 0.31 H new ATOM 0 HG23 VAL A 112 -2.079 -0.108 0.497 1.00 0.31 H new ATOM 1258 N TYR A 113 -2.264 1.276 -2.537 1.00 0.28 N ATOM 1259 CA TYR A 113 -3.369 1.838 -3.306 1.00 0.25 C ATOM 1260 C TYR A 113 -4.637 1.861 -2.455 1.00 0.25 C ATOM 1261 O TYR A 113 -4.992 0.849 -1.840 1.00 0.27 O ATOM 1262 CB TYR A 113 -3.581 1.031 -4.595 1.00 0.27 C ATOM 1263 CG TYR A 113 -2.438 1.163 -5.580 1.00 0.39 C ATOM 1264 CD1 TYR A 113 -1.216 0.513 -5.332 1.00 1.18 C ATOM 1265 CD2 TYR A 113 -2.587 1.947 -6.738 1.00 1.68 C ATOM 1266 CE1 TYR A 113 -0.123 0.703 -6.192 1.00 1.14 C ATOM 1267 CE2 TYR A 113 -1.503 2.118 -7.617 1.00 1.84 C ATOM 1268 CZ TYR A 113 -0.256 1.530 -7.328 1.00 0.79 C ATOM 1269 OH TYR A 113 0.810 1.769 -8.135 1.00 1.03 O ATOM 0 H TYR A 113 -2.386 0.282 -2.342 1.00 0.28 H new ATOM 0 HA TYR A 113 -3.128 2.863 -3.586 1.00 0.25 H new ATOM 0 HB2 TYR A 113 -3.712 -0.021 -4.340 1.00 0.27 H new ATOM 0 HB3 TYR A 113 -4.504 1.360 -5.074 1.00 0.27 H new ATOM 0 HD1 TYR A 113 -1.118 -0.136 -4.475 1.00 1.18 H new ATOM 0 HD2 TYR A 113 -3.535 2.418 -6.952 1.00 1.68 H new ATOM 0 HE1 TYR A 113 0.819 0.217 -5.985 1.00 1.14 H new ATOM 0 HE2 TYR A 113 -1.627 2.702 -8.517 1.00 1.84 H new ATOM 0 HH TYR A 113 0.539 2.358 -8.870 1.00 1.03 H new ATOM 1279 N LEU A 114 -5.326 3.007 -2.438 1.00 0.26 N ATOM 1280 CA LEU A 114 -6.616 3.163 -1.764 1.00 0.26 C ATOM 1281 C LEU A 114 -7.737 3.374 -2.772 1.00 0.32 C ATOM 1282 O LEU A 114 -7.679 4.282 -3.604 1.00 0.41 O ATOM 1283 CB LEU A 114 -6.595 4.248 -0.672 1.00 0.29 C ATOM 1284 CG LEU A 114 -6.408 3.686 0.748 1.00 0.31 C ATOM 1285 CD1 LEU A 114 -5.020 3.116 0.977 1.00 0.33 C ATOM 1286 CD2 LEU A 114 -6.705 4.781 1.770 1.00 0.43 C ATOM 0 H LEU A 114 -5.000 3.858 -2.896 1.00 0.26 H new ATOM 0 HA LEU A 114 -6.817 2.229 -1.240 1.00 0.26 H new ATOM 0 HB2 LEU A 114 -5.790 4.951 -0.885 1.00 0.29 H new ATOM 0 HB3 LEU A 114 -7.528 4.810 -0.712 1.00 0.29 H new ATOM 0 HG LEU A 114 -7.108 2.859 0.868 1.00 0.31 H new ATOM 0 HD11 LEU A 114 -4.947 2.734 1.995 1.00 0.33 H new ATOM 0 HD12 LEU A 114 -4.839 2.305 0.272 1.00 0.33 H new ATOM 0 HD13 LEU A 114 -4.276 3.899 0.829 1.00 0.33 H new ATOM 0 HD21 LEU A 114 -6.573 4.385 2.777 1.00 0.43 H new ATOM 0 HD22 LEU A 114 -6.022 5.617 1.617 1.00 0.43 H new ATOM 0 HD23 LEU A 114 -7.732 5.124 1.647 1.00 0.43 H new ATOM 1298 N ASN A 115 -8.765 2.530 -2.676 1.00 0.33 N ATOM 1299 CA ASN A 115 -9.881 2.486 -3.630 1.00 0.38 C ATOM 1300 C ASN A 115 -9.417 2.268 -5.097 1.00 0.41 C ATOM 1301 O ASN A 115 -9.945 2.859 -6.047 1.00 0.50 O ATOM 1302 CB ASN A 115 -10.754 3.724 -3.416 1.00 0.40 C ATOM 1303 CG ASN A 115 -12.234 3.472 -3.619 1.00 0.50 C ATOM 1304 OD1 ASN A 115 -12.691 2.406 -4.013 1.00 0.59 O ATOM 1305 ND2 ASN A 115 -13.041 4.432 -3.268 1.00 0.57 N ATOM 0 H ASN A 115 -8.850 1.847 -1.924 1.00 0.33 H new ATOM 0 HA ASN A 115 -10.495 1.607 -3.435 1.00 0.38 H new ATOM 0 HB2 ASN A 115 -10.594 4.099 -2.405 1.00 0.40 H new ATOM 0 HB3 ASN A 115 -10.431 4.508 -4.102 1.00 0.40 H new ATOM 0 HD21 ASN A 115 -14.050 4.295 -3.322 1.00 0.57 H new ATOM 0 HD22 ASN A 115 -12.664 5.321 -2.939 1.00 0.57 H new ATOM 1312 N GLY A 116 -8.344 1.490 -5.274 1.00 0.39 N ATOM 1313 CA GLY A 116 -7.572 1.339 -6.504 1.00 0.46 C ATOM 1314 C GLY A 116 -6.683 2.516 -6.948 1.00 0.52 C ATOM 1315 O GLY A 116 -5.981 2.361 -7.944 1.00 0.72 O ATOM 0 H GLY A 116 -7.973 0.917 -4.516 1.00 0.39 H new ATOM 0 HA2 GLY A 116 -6.934 0.462 -6.393 1.00 0.46 H new ATOM 0 HA3 GLY A 116 -8.271 1.124 -7.313 1.00 0.46 H new ATOM 1319 N GLU A 117 -6.661 3.676 -6.276 1.00 0.51 N ATOM 1320 CA GLU A 117 -5.841 4.827 -6.692 1.00 0.56 C ATOM 1321 C GLU A 117 -4.490 4.867 -5.981 1.00 0.44 C ATOM 1322 O GLU A 117 -4.370 4.524 -4.805 1.00 0.39 O ATOM 1323 CB GLU A 117 -6.608 6.153 -6.611 1.00 0.74 C ATOM 1324 CG GLU A 117 -5.757 7.324 -7.082 1.00 0.91 C ATOM 1325 CD GLU A 117 -6.566 8.543 -7.530 1.00 1.15 C ATOM 1326 OE1 GLU A 117 -7.175 9.236 -6.678 1.00 1.48 O ATOM 1327 OE2 GLU A 117 -6.614 8.802 -8.756 1.00 2.17 O ATOM 0 H GLU A 117 -7.208 3.844 -5.432 1.00 0.51 H new ATOM 0 HA GLU A 117 -5.614 4.683 -7.748 1.00 0.56 H new ATOM 0 HB2 GLU A 117 -7.510 6.090 -7.220 1.00 0.74 H new ATOM 0 HB3 GLU A 117 -6.929 6.326 -5.584 1.00 0.74 H new ATOM 0 HG2 GLU A 117 -5.089 7.622 -6.274 1.00 0.91 H new ATOM 0 HG3 GLU A 117 -5.129 6.994 -7.910 1.00 0.91 H new ATOM 1334 N PHE A 118 -3.472 5.298 -6.725 1.00 0.48 N ATOM 1335 CA PHE A 118 -2.107 5.478 -6.261 1.00 0.47 C ATOM 1336 C PHE A 118 -1.946 6.716 -5.390 1.00 0.49 C ATOM 1337 O PHE A 118 -2.468 7.806 -5.634 1.00 0.61 O ATOM 1338 CB PHE A 118 -1.184 5.561 -7.481 1.00 0.57 C ATOM 1339 CG PHE A 118 0.315 5.459 -7.255 1.00 0.63 C ATOM 1340 CD1 PHE A 118 0.887 4.818 -6.134 1.00 1.69 C ATOM 1341 CD2 PHE A 118 1.151 5.988 -8.251 1.00 1.95 C ATOM 1342 CE1 PHE A 118 2.284 4.702 -6.028 1.00 1.76 C ATOM 1343 CE2 PHE A 118 2.549 5.878 -8.143 1.00 2.03 C ATOM 1344 CZ PHE A 118 3.114 5.230 -7.032 1.00 0.98 C ATOM 0 H PHE A 118 -3.587 5.540 -7.709 1.00 0.48 H new ATOM 0 HA PHE A 118 -1.842 4.625 -5.637 1.00 0.47 H new ATOM 0 HB2 PHE A 118 -1.472 4.767 -8.171 1.00 0.57 H new ATOM 0 HB3 PHE A 118 -1.381 6.508 -7.984 1.00 0.57 H new ATOM 0 HD1 PHE A 118 0.251 4.417 -5.358 1.00 1.69 H new ATOM 0 HD2 PHE A 118 0.717 6.483 -9.107 1.00 1.95 H new ATOM 0 HE1 PHE A 118 2.720 4.206 -5.173 1.00 1.76 H new ATOM 0 HE2 PHE A 118 3.186 6.290 -8.912 1.00 2.03 H new ATOM 0 HZ PHE A 118 4.187 5.137 -6.949 1.00 0.98 H new ATOM 1354 N VAL A 119 -1.218 6.481 -4.317 1.00 0.41 N ATOM 1355 CA VAL A 119 -1.533 7.016 -2.997 1.00 0.38 C ATOM 1356 C VAL A 119 -0.259 7.055 -2.164 1.00 0.60 C ATOM 1357 O VAL A 119 0.009 8.052 -1.501 1.00 0.92 O ATOM 1358 CB VAL A 119 -2.641 6.098 -2.450 1.00 0.53 C ATOM 1359 CG1 VAL A 119 -2.546 5.656 -1.014 1.00 0.82 C ATOM 1360 CG2 VAL A 119 -3.990 6.793 -2.661 1.00 1.51 C ATOM 0 H VAL A 119 -0.377 5.905 -4.332 1.00 0.41 H new ATOM 0 HA VAL A 119 -1.898 8.043 -2.994 1.00 0.38 H new ATOM 0 HB VAL A 119 -2.522 5.173 -3.014 1.00 0.53 H new ATOM 0 HG11 VAL A 119 -3.395 5.016 -0.774 1.00 0.82 H new ATOM 0 HG12 VAL A 119 -1.619 5.102 -0.864 1.00 0.82 H new ATOM 0 HG13 VAL A 119 -2.555 6.530 -0.363 1.00 0.82 H new ATOM 0 HG21 VAL A 119 -4.790 6.158 -2.280 1.00 1.51 H new ATOM 0 HG22 VAL A 119 -3.996 7.744 -2.129 1.00 1.51 H new ATOM 0 HG23 VAL A 119 -4.145 6.972 -3.725 1.00 1.51 H new ATOM 1370 N GLY A 120 0.602 6.050 -2.348 1.00 0.53 N ATOM 1371 CA GLY A 120 2.011 6.331 -2.591 1.00 0.56 C ATOM 1372 C GLY A 120 2.960 5.183 -2.268 1.00 0.40 C ATOM 1373 O GLY A 120 2.572 4.177 -1.668 1.00 0.46 O ATOM 0 H GLY A 120 0.353 5.061 -2.333 1.00 0.53 H new ATOM 0 HA2 GLY A 120 2.137 6.603 -3.639 1.00 0.56 H new ATOM 0 HA3 GLY A 120 2.300 7.200 -1.999 1.00 0.56 H new ATOM 1377 N GLY A 121 4.218 5.341 -2.681 1.00 0.42 N ATOM 1378 CA GLY A 121 5.323 4.509 -2.203 1.00 0.36 C ATOM 1379 C GLY A 121 5.805 4.912 -0.809 1.00 0.35 C ATOM 1380 O GLY A 121 5.426 5.958 -0.283 1.00 0.37 O ATOM 0 H GLY A 121 4.500 6.051 -3.357 1.00 0.42 H new ATOM 0 HA2 GLY A 121 5.006 3.466 -2.186 1.00 0.36 H new ATOM 0 HA3 GLY A 121 6.154 4.578 -2.905 1.00 0.36 H new ATOM 1384 N CYS A 122 6.638 4.081 -0.185 1.00 0.36 N ATOM 1385 CA CYS A 122 7.070 4.254 1.207 1.00 0.38 C ATOM 1386 C CYS A 122 7.827 5.565 1.514 1.00 0.46 C ATOM 1387 O CYS A 122 7.761 6.061 2.639 1.00 0.59 O ATOM 1388 CB CYS A 122 7.914 3.027 1.544 1.00 0.46 C ATOM 1389 SG CYS A 122 8.384 2.986 3.300 1.00 0.78 S ATOM 0 H CYS A 122 7.039 3.258 -0.634 1.00 0.36 H new ATOM 0 HA CYS A 122 6.183 4.340 1.834 1.00 0.38 H new ATOM 0 HB2 CYS A 122 7.356 2.124 1.297 1.00 0.46 H new ATOM 0 HB3 CYS A 122 8.813 3.025 0.928 1.00 0.46 H new ATOM 0 HG CYS A 122 8.273 1.772 3.751 1.00 0.78 H new ATOM 1395 N ASP A 123 8.510 6.165 0.536 1.00 0.48 N ATOM 1396 CA ASP A 123 9.106 7.504 0.707 1.00 0.54 C ATOM 1397 C ASP A 123 8.020 8.599 0.739 1.00 0.51 C ATOM 1398 O ASP A 123 8.119 9.547 1.513 1.00 0.61 O ATOM 1399 CB ASP A 123 10.137 7.751 -0.407 1.00 0.67 C ATOM 1400 CG ASP A 123 10.963 9.033 -0.241 1.00 1.07 C ATOM 1401 OD1 ASP A 123 11.576 9.255 0.831 1.00 1.68 O ATOM 1402 OD2 ASP A 123 11.089 9.791 -1.232 1.00 2.39 O ATOM 0 H ASP A 123 8.667 5.751 -0.383 1.00 0.48 H new ATOM 0 HA ASP A 123 9.619 7.547 1.668 1.00 0.54 H new ATOM 0 HB2 ASP A 123 10.817 6.900 -0.450 1.00 0.67 H new ATOM 0 HB3 ASP A 123 9.616 7.792 -1.364 1.00 0.67 H new ATOM 1407 N ILE A 124 6.939 8.435 -0.030 1.00 0.44 N ATOM 1408 CA ILE A 124 5.801 9.374 -0.121 1.00 0.43 C ATOM 1409 C ILE A 124 4.858 9.237 1.071 1.00 0.39 C ATOM 1410 O ILE A 124 4.435 10.234 1.657 1.00 0.40 O ATOM 1411 CB ILE A 124 5.045 9.159 -1.441 1.00 0.45 C ATOM 1412 CG1 ILE A 124 5.979 9.312 -2.651 1.00 0.52 C ATOM 1413 CG2 ILE A 124 3.850 10.119 -1.548 1.00 0.48 C ATOM 1414 CD1 ILE A 124 6.823 10.591 -2.720 1.00 1.14 C ATOM 0 H ILE A 124 6.822 7.618 -0.630 1.00 0.44 H new ATOM 0 HA ILE A 124 6.200 10.388 -0.102 1.00 0.43 H new ATOM 0 HB ILE A 124 4.664 8.138 -1.443 1.00 0.45 H new ATOM 0 HG12 ILE A 124 6.656 8.458 -2.667 1.00 0.52 H new ATOM 0 HG13 ILE A 124 5.374 9.256 -3.556 1.00 0.52 H new ATOM 0 HG21 ILE A 124 3.330 9.949 -2.491 1.00 0.48 H new ATOM 0 HG22 ILE A 124 3.165 9.942 -0.718 1.00 0.48 H new ATOM 0 HG23 ILE A 124 4.206 11.149 -1.511 1.00 0.48 H new ATOM 0 HD11 ILE A 124 7.437 10.574 -3.621 1.00 1.14 H new ATOM 0 HD12 ILE A 124 6.165 11.460 -2.745 1.00 1.14 H new ATOM 0 HD13 ILE A 124 7.468 10.649 -1.843 1.00 1.14 H new ATOM 1426 N LEU A 125 4.572 8.005 1.483 1.00 0.36 N ATOM 1427 CA LEU A 125 3.743 7.726 2.660 1.00 0.32 C ATOM 1428 C LEU A 125 4.321 8.375 3.933 1.00 0.35 C ATOM 1429 O LEU A 125 3.563 8.833 4.785 1.00 0.36 O ATOM 1430 CB LEU A 125 3.583 6.198 2.829 1.00 0.31 C ATOM 1431 CG LEU A 125 2.194 5.821 3.374 1.00 0.51 C ATOM 1432 CD1 LEU A 125 1.129 5.925 2.278 1.00 0.72 C ATOM 1433 CD2 LEU A 125 2.169 4.388 3.899 1.00 0.56 C ATOM 0 H LEU A 125 4.908 7.166 1.010 1.00 0.36 H new ATOM 0 HA LEU A 125 2.760 8.169 2.504 1.00 0.32 H new ATOM 0 HB2 LEU A 125 3.741 5.708 1.868 1.00 0.31 H new ATOM 0 HB3 LEU A 125 4.352 5.826 3.506 1.00 0.31 H new ATOM 0 HG LEU A 125 1.981 6.519 4.183 1.00 0.51 H new ATOM 0 HD11 LEU A 125 0.157 5.653 2.689 1.00 0.72 H new ATOM 0 HD12 LEU A 125 1.092 6.948 1.903 1.00 0.72 H new ATOM 0 HD13 LEU A 125 1.380 5.248 1.461 1.00 0.72 H new ATOM 0 HD21 LEU A 125 1.173 4.156 4.276 1.00 0.56 H new ATOM 0 HD22 LEU A 125 2.421 3.700 3.092 1.00 0.56 H new ATOM 0 HD23 LEU A 125 2.895 4.283 4.705 1.00 0.56 H new ATOM 1445 N LEU A 126 5.652 8.499 4.013 1.00 0.40 N ATOM 1446 CA LEU A 126 6.372 9.164 5.112 1.00 0.47 C ATOM 1447 C LEU A 126 6.189 10.690 5.116 1.00 0.52 C ATOM 1448 O LEU A 126 6.379 11.338 6.141 1.00 0.71 O ATOM 1449 CB LEU A 126 7.872 8.787 5.036 1.00 0.52 C ATOM 1450 CG LEU A 126 8.513 8.276 6.338 1.00 0.58 C ATOM 1451 CD1 LEU A 126 8.430 9.275 7.489 1.00 0.61 C ATOM 1452 CD2 LEU A 126 7.861 6.981 6.808 1.00 0.68 C ATOM 0 H LEU A 126 6.277 8.130 3.296 1.00 0.40 H new ATOM 0 HA LEU A 126 5.945 8.811 6.051 1.00 0.47 H new ATOM 0 HB2 LEU A 126 7.994 8.020 4.271 1.00 0.52 H new ATOM 0 HB3 LEU A 126 8.428 9.663 4.701 1.00 0.52 H new ATOM 0 HG LEU A 126 9.561 8.116 6.086 1.00 0.58 H new ATOM 0 HD11 LEU A 126 8.901 8.849 8.375 1.00 0.61 H new ATOM 0 HD12 LEU A 126 8.945 10.194 7.211 1.00 0.61 H new ATOM 0 HD13 LEU A 126 7.385 9.496 7.705 1.00 0.61 H new ATOM 0 HD21 LEU A 126 8.337 6.647 7.730 1.00 0.68 H new ATOM 0 HD22 LEU A 126 6.800 7.153 6.989 1.00 0.68 H new ATOM 0 HD23 LEU A 126 7.979 6.215 6.041 1.00 0.68 H new ATOM 1464 N GLN A 127 5.779 11.275 3.993 1.00 0.46 N ATOM 1465 CA GLN A 127 5.336 12.661 3.910 1.00 0.48 C ATOM 1466 C GLN A 127 3.854 12.756 4.311 1.00 0.44 C ATOM 1467 O GLN A 127 3.468 13.477 5.235 1.00 0.47 O ATOM 1468 CB GLN A 127 5.533 13.152 2.467 1.00 0.53 C ATOM 1469 CG GLN A 127 6.824 12.716 1.752 1.00 0.65 C ATOM 1470 CD GLN A 127 8.113 12.918 2.537 1.00 0.76 C ATOM 1471 OE1 GLN A 127 8.550 14.032 2.800 1.00 1.04 O ATOM 1472 NE2 GLN A 127 8.768 11.847 2.920 1.00 0.71 N ATOM 0 H GLN A 127 5.745 10.787 3.098 1.00 0.46 H new ATOM 0 HA GLN A 127 5.917 13.284 4.590 1.00 0.48 H new ATOM 0 HB2 GLN A 127 4.685 12.810 1.874 1.00 0.53 H new ATOM 0 HB3 GLN A 127 5.500 14.241 2.472 1.00 0.53 H new ATOM 0 HG2 GLN A 127 6.737 11.660 1.497 1.00 0.65 H new ATOM 0 HG3 GLN A 127 6.901 13.266 0.814 1.00 0.65 H new ATOM 0 HE21 GLN A 127 8.403 10.920 2.700 1.00 0.71 H new ATOM 0 HE22 GLN A 127 9.642 11.942 3.437 1.00 0.71 H new ATOM 1481 N MET A 128 3.015 11.963 3.637 1.00 0.41 N ATOM 1482 CA MET A 128 1.564 12.078 3.677 1.00 0.40 C ATOM 1483 C MET A 128 0.938 11.658 5.004 1.00 0.42 C ATOM 1484 O MET A 128 -0.105 12.189 5.381 1.00 0.45 O ATOM 1485 CB MET A 128 0.999 11.239 2.537 1.00 0.41 C ATOM 1486 CG MET A 128 1.357 11.849 1.181 1.00 0.42 C ATOM 1487 SD MET A 128 0.596 11.044 -0.245 1.00 0.58 S ATOM 1488 CE MET A 128 -1.132 11.348 0.167 1.00 0.49 C ATOM 0 H MET A 128 3.340 11.206 3.035 1.00 0.41 H new ATOM 0 HA MET A 128 1.313 13.133 3.567 1.00 0.40 H new ATOM 0 HB2 MET A 128 1.391 10.224 2.598 1.00 0.41 H new ATOM 0 HB3 MET A 128 -0.084 11.169 2.634 1.00 0.41 H new ATOM 0 HG2 MET A 128 1.066 12.899 1.184 1.00 0.42 H new ATOM 0 HG3 MET A 128 2.440 11.819 1.061 1.00 0.42 H new ATOM 0 HE1 MET A 128 -1.709 10.436 0.011 1.00 0.49 H new ATOM 0 HE2 MET A 128 -1.209 11.653 1.211 1.00 0.49 H new ATOM 0 HE3 MET A 128 -1.525 12.139 -0.472 1.00 0.49 H new ATOM 1498 N HIS A 129 1.585 10.754 5.740 1.00 0.39 N ATOM 1499 CA HIS A 129 1.202 10.410 7.125 1.00 0.40 C ATOM 1500 C HIS A 129 1.107 11.647 8.008 1.00 0.46 C ATOM 1501 O HIS A 129 0.196 11.821 8.817 1.00 0.49 O ATOM 1502 CB HIS A 129 2.281 9.530 7.755 1.00 0.38 C ATOM 1503 CG HIS A 129 1.940 9.014 9.131 1.00 0.38 C ATOM 1504 ND1 HIS A 129 0.745 8.503 9.591 1.00 0.35 N ATOM 1505 CD2 HIS A 129 2.783 9.059 10.199 1.00 0.45 C ATOM 1506 CE1 HIS A 129 0.897 8.193 10.888 1.00 0.41 C ATOM 1507 NE2 HIS A 129 2.121 8.544 11.321 1.00 0.48 N ATOM 0 H HIS A 129 2.393 10.234 5.399 1.00 0.39 H new ATOM 0 HA HIS A 129 0.236 9.908 7.066 1.00 0.40 H new ATOM 0 HB2 HIS A 129 2.469 8.681 7.098 1.00 0.38 H new ATOM 0 HB3 HIS A 129 3.209 10.099 7.813 1.00 0.38 H new ATOM 0 HD2 HIS A 129 3.797 9.431 10.184 1.00 0.45 H new ATOM 0 HE1 HIS A 129 0.140 7.726 11.500 1.00 0.41 H new ATOM 0 HE2 HIS A 129 2.490 8.454 12.268 1.00 0.48 H new ATOM 1515 N GLN A 130 2.149 12.452 7.866 1.00 0.51 N ATOM 1516 CA GLN A 130 2.605 13.392 8.863 1.00 0.58 C ATOM 1517 C GLN A 130 1.965 14.770 8.619 1.00 0.65 C ATOM 1518 O GLN A 130 1.547 15.442 9.566 1.00 0.90 O ATOM 1519 CB GLN A 130 4.135 13.342 8.832 1.00 0.65 C ATOM 1520 CG GLN A 130 4.708 11.934 8.949 1.00 0.66 C ATOM 1521 CD GLN A 130 6.094 11.900 9.577 1.00 0.82 C ATOM 1522 OE1 GLN A 130 6.248 11.760 10.782 1.00 1.01 O ATOM 1523 NE2 GLN A 130 7.141 12.002 8.799 1.00 0.91 N ATOM 0 H GLN A 130 2.717 12.464 7.019 1.00 0.51 H new ATOM 0 HA GLN A 130 2.293 13.145 9.878 1.00 0.58 H new ATOM 0 HB2 GLN A 130 4.485 13.790 7.902 1.00 0.65 H new ATOM 0 HB3 GLN A 130 4.526 13.952 9.647 1.00 0.65 H new ATOM 0 HG2 GLN A 130 4.031 11.322 9.545 1.00 0.66 H new ATOM 0 HG3 GLN A 130 4.755 11.484 7.957 1.00 0.66 H new ATOM 0 HE21 GLN A 130 7.019 12.119 7.793 1.00 0.91 H new ATOM 0 HE22 GLN A 130 8.079 11.965 9.198 1.00 0.91 H new ATOM 1532 N ASN A 131 1.773 15.113 7.337 1.00 0.53 N ATOM 1533 CA ASN A 131 0.897 16.189 6.862 1.00 0.57 C ATOM 1534 C ASN A 131 -0.598 15.785 6.881 1.00 0.65 C ATOM 1535 O ASN A 131 -1.468 16.654 6.933 1.00 0.88 O ATOM 1536 CB ASN A 131 1.429 16.678 5.498 1.00 0.60 C ATOM 1537 CG ASN A 131 0.471 16.431 4.362 1.00 1.11 C ATOM 1538 OD1 ASN A 131 0.535 15.413 3.690 1.00 2.98 O ATOM 1539 ND2 ASN A 131 -0.460 17.321 4.162 1.00 0.99 N ATOM 0 H ASN A 131 2.244 14.627 6.573 1.00 0.53 H new ATOM 0 HA ASN A 131 0.926 17.037 7.547 1.00 0.57 H new ATOM 0 HB2 ASN A 131 1.641 17.745 5.560 1.00 0.60 H new ATOM 0 HB3 ASN A 131 2.373 16.177 5.283 1.00 0.60 H new ATOM 0 HD21 ASN A 131 -1.156 17.175 3.431 1.00 0.99 H new ATOM 0 HD22 ASN A 131 -0.492 18.163 4.737 1.00 0.99 H new ATOM 1546 N GLY A 132 -0.923 14.487 6.868 1.00 0.56 N ATOM 1547 CA GLY A 132 -2.273 13.997 7.156 1.00 0.56 C ATOM 1548 C GLY A 132 -3.115 13.786 5.902 1.00 0.57 C ATOM 1549 O GLY A 132 -4.293 13.461 5.999 1.00 0.71 O ATOM 0 H GLY A 132 -0.254 13.746 6.657 1.00 0.56 H new ATOM 0 HA2 GLY A 132 -2.202 13.056 7.701 1.00 0.56 H new ATOM 0 HA3 GLY A 132 -2.779 14.707 7.810 1.00 0.56 H new ATOM 1553 N ASP A 133 -2.520 13.864 4.712 1.00 0.53 N ATOM 1554 CA ASP A 133 -3.229 13.619 3.453 1.00 0.54 C ATOM 1555 C ASP A 133 -3.739 12.171 3.345 1.00 0.47 C ATOM 1556 O ASP A 133 -4.590 11.884 2.503 1.00 0.52 O ATOM 1557 CB ASP A 133 -2.304 13.942 2.274 1.00 0.68 C ATOM 1558 CG ASP A 133 -2.150 15.431 1.961 1.00 0.80 C ATOM 1559 OD1 ASP A 133 -2.670 16.298 2.705 1.00 1.86 O ATOM 1560 OD2 ASP A 133 -1.530 15.741 0.915 1.00 2.00 O ATOM 0 H ASP A 133 -1.535 14.098 4.592 1.00 0.53 H new ATOM 0 HA ASP A 133 -4.103 14.270 3.430 1.00 0.54 H new ATOM 0 HB2 ASP A 133 -1.318 13.526 2.481 1.00 0.68 H new ATOM 0 HB3 ASP A 133 -2.683 13.437 1.386 1.00 0.68 H new ATOM 1565 N LEU A 134 -3.283 11.255 4.216 1.00 0.38 N ATOM 1566 CA LEU A 134 -3.805 9.891 4.222 1.00 0.34 C ATOM 1567 C LEU A 134 -5.193 9.865 4.871 1.00 0.31 C ATOM 1568 O LEU A 134 -6.060 9.074 4.522 1.00 0.34 O ATOM 1569 CB LEU A 134 -2.866 8.947 4.996 1.00 0.33 C ATOM 1570 CG LEU A 134 -1.424 8.881 4.480 1.00 0.35 C ATOM 1571 CD1 LEU A 134 -0.629 7.848 5.276 1.00 0.36 C ATOM 1572 CD2 LEU A 134 -1.336 8.537 2.997 1.00 0.36 C ATOM 0 H LEU A 134 -2.563 11.437 4.915 1.00 0.38 H new ATOM 0 HA LEU A 134 -3.874 9.550 3.189 1.00 0.34 H new ATOM 0 HB2 LEU A 134 -2.846 9.259 6.040 1.00 0.33 H new ATOM 0 HB3 LEU A 134 -3.288 7.942 4.972 1.00 0.33 H new ATOM 0 HG LEU A 134 -1.003 9.878 4.613 1.00 0.35 H new ATOM 0 HD11 LEU A 134 0.394 7.809 4.902 1.00 0.36 H new ATOM 0 HD12 LEU A 134 -0.619 8.129 6.329 1.00 0.36 H new ATOM 0 HD13 LEU A 134 -1.093 6.868 5.166 1.00 0.36 H new ATOM 0 HD21 LEU A 134 -0.290 8.505 2.692 1.00 0.36 H new ATOM 0 HD22 LEU A 134 -1.795 7.564 2.821 1.00 0.36 H new ATOM 0 HD23 LEU A 134 -1.860 9.295 2.416 1.00 0.36 H new ATOM 1584 N VAL A 135 -5.385 10.765 5.830 1.00 0.33 N ATOM 1585 CA VAL A 135 -6.562 10.918 6.677 1.00 0.31 C ATOM 1586 C VAL A 135 -7.709 11.520 5.871 1.00 0.38 C ATOM 1587 O VAL A 135 -8.849 11.087 6.005 1.00 0.47 O ATOM 1588 CB VAL A 135 -6.203 11.827 7.858 1.00 0.33 C ATOM 1589 CG1 VAL A 135 -7.200 11.646 8.979 1.00 0.35 C ATOM 1590 CG2 VAL A 135 -4.898 11.356 8.488 1.00 0.38 C ATOM 0 H VAL A 135 -4.669 11.457 6.051 1.00 0.33 H new ATOM 0 HA VAL A 135 -6.881 9.945 7.050 1.00 0.31 H new ATOM 0 HB VAL A 135 -6.166 12.846 7.474 1.00 0.33 H new ATOM 0 HG11 VAL A 135 -6.934 12.297 9.812 1.00 0.35 H new ATOM 0 HG12 VAL A 135 -8.198 11.902 8.623 1.00 0.35 H new ATOM 0 HG13 VAL A 135 -7.189 10.608 9.312 1.00 0.35 H new ATOM 0 HG21 VAL A 135 -4.645 12.004 9.327 1.00 0.38 H new ATOM 0 HG22 VAL A 135 -5.014 10.332 8.842 1.00 0.38 H new ATOM 0 HG23 VAL A 135 -4.101 11.395 7.746 1.00 0.38 H new ATOM 1600 N GLU A 136 -7.383 12.453 4.971 1.00 0.44 N ATOM 1601 CA GLU A 136 -8.308 13.053 4.003 1.00 0.57 C ATOM 1602 C GLU A 136 -8.848 11.974 3.049 1.00 0.50 C ATOM 1603 O GLU A 136 -10.056 11.898 2.811 1.00 0.68 O ATOM 1604 CB GLU A 136 -7.577 14.144 3.192 1.00 0.74 C ATOM 1605 CG GLU A 136 -6.838 15.228 3.998 1.00 1.31 C ATOM 1606 CD GLU A 136 -7.742 16.325 4.574 1.00 1.90 C ATOM 1607 OE1 GLU A 136 -8.679 16.024 5.355 1.00 2.17 O ATOM 1608 OE2 GLU A 136 -7.492 17.518 4.273 1.00 3.19 O ATOM 0 H GLU A 136 -6.436 12.824 4.893 1.00 0.44 H new ATOM 0 HA GLU A 136 -9.143 13.501 4.542 1.00 0.57 H new ATOM 0 HB2 GLU A 136 -6.855 13.655 2.538 1.00 0.74 H new ATOM 0 HB3 GLU A 136 -8.307 14.636 2.549 1.00 0.74 H new ATOM 0 HG2 GLU A 136 -6.302 14.750 4.818 1.00 1.31 H new ATOM 0 HG3 GLU A 136 -6.090 15.693 3.356 1.00 1.31 H new ATOM 1615 N GLU A 137 -7.961 11.086 2.583 1.00 0.43 N ATOM 1616 CA GLU A 137 -8.283 9.924 1.747 1.00 0.54 C ATOM 1617 C GLU A 137 -9.166 8.915 2.501 1.00 0.63 C ATOM 1618 O GLU A 137 -10.196 8.483 1.988 1.00 0.89 O ATOM 1619 CB GLU A 137 -6.976 9.244 1.288 1.00 0.60 C ATOM 1620 CG GLU A 137 -7.089 8.563 -0.089 1.00 0.99 C ATOM 1621 CD GLU A 137 -7.158 9.547 -1.269 1.00 0.70 C ATOM 1622 OE1 GLU A 137 -6.694 10.705 -1.126 1.00 1.42 O ATOM 1623 OE2 GLU A 137 -7.647 9.157 -2.361 1.00 1.60 O ATOM 0 H GLU A 137 -6.964 11.160 2.785 1.00 0.43 H new ATOM 0 HA GLU A 137 -8.844 10.271 0.879 1.00 0.54 H new ATOM 0 HB2 GLU A 137 -6.181 9.989 1.252 1.00 0.60 H new ATOM 0 HB3 GLU A 137 -6.683 8.501 2.029 1.00 0.60 H new ATOM 0 HG2 GLU A 137 -6.232 7.904 -0.228 1.00 0.99 H new ATOM 0 HG3 GLU A 137 -7.980 7.935 -0.100 1.00 0.99 H new ATOM 1630 N LEU A 138 -8.818 8.588 3.751 1.00 0.48 N ATOM 1631 CA LEU A 138 -9.628 7.714 4.604 1.00 0.53 C ATOM 1632 C LEU A 138 -11.024 8.315 4.848 1.00 0.63 C ATOM 1633 O LEU A 138 -12.011 7.584 4.767 1.00 0.74 O ATOM 1634 CB LEU A 138 -8.877 7.422 5.919 1.00 0.42 C ATOM 1635 CG LEU A 138 -7.651 6.494 5.781 1.00 0.42 C ATOM 1636 CD1 LEU A 138 -6.877 6.465 7.102 1.00 0.40 C ATOM 1637 CD2 LEU A 138 -8.021 5.055 5.424 1.00 0.50 C ATOM 0 H LEU A 138 -7.965 8.923 4.199 1.00 0.48 H new ATOM 0 HA LEU A 138 -9.786 6.764 4.093 1.00 0.53 H new ATOM 0 HB2 LEU A 138 -8.550 8.368 6.350 1.00 0.42 H new ATOM 0 HB3 LEU A 138 -9.575 6.973 6.626 1.00 0.42 H new ATOM 0 HG LEU A 138 -7.050 6.901 4.968 1.00 0.42 H new ATOM 0 HD11 LEU A 138 -6.012 5.809 7.003 1.00 0.40 H new ATOM 0 HD12 LEU A 138 -6.542 7.472 7.350 1.00 0.40 H new ATOM 0 HD13 LEU A 138 -7.525 6.093 7.895 1.00 0.40 H new ATOM 0 HD21 LEU A 138 -7.114 4.456 5.342 1.00 0.50 H new ATOM 0 HD22 LEU A 138 -8.661 4.640 6.203 1.00 0.50 H new ATOM 0 HD23 LEU A 138 -8.552 5.041 4.472 1.00 0.50 H new ATOM 1649 N LYS A 139 -11.141 9.640 5.036 1.00 0.63 N ATOM 1650 CA LYS A 139 -12.437 10.342 5.126 1.00 0.76 C ATOM 1651 C LYS A 139 -13.253 10.231 3.821 1.00 0.83 C ATOM 1652 O LYS A 139 -14.463 10.023 3.918 1.00 0.87 O ATOM 1653 CB LYS A 139 -12.234 11.806 5.580 1.00 0.87 C ATOM 1654 CG LYS A 139 -11.813 11.961 7.058 1.00 0.85 C ATOM 1655 CD LYS A 139 -11.512 13.429 7.425 1.00 0.90 C ATOM 1656 CE LYS A 139 -10.674 13.545 8.709 1.00 0.87 C ATOM 1657 NZ LYS A 139 -10.644 14.935 9.235 1.00 1.07 N ATOM 0 H LYS A 139 -10.336 10.260 5.131 1.00 0.63 H new ATOM 0 HA LYS A 139 -13.035 9.844 5.889 1.00 0.76 H new ATOM 0 HB2 LYS A 139 -11.476 12.268 4.948 1.00 0.87 H new ATOM 0 HB3 LYS A 139 -13.161 12.356 5.419 1.00 0.87 H new ATOM 0 HG2 LYS A 139 -12.607 11.582 7.702 1.00 0.85 H new ATOM 0 HG3 LYS A 139 -10.930 11.352 7.249 1.00 0.85 H new ATOM 0 HD2 LYS A 139 -10.981 13.906 6.602 1.00 0.90 H new ATOM 0 HD3 LYS A 139 -12.450 13.969 7.555 1.00 0.90 H new ATOM 0 HE2 LYS A 139 -11.083 12.879 9.469 1.00 0.87 H new ATOM 0 HE3 LYS A 139 -9.656 13.212 8.508 1.00 0.87 H new ATOM 0 HZ1 LYS A 139 -10.068 14.966 10.100 1.00 1.07 H new ATOM 0 HZ2 LYS A 139 -10.230 15.568 8.521 1.00 1.07 H new ATOM 0 HZ3 LYS A 139 -11.613 15.245 9.452 1.00 1.07 H new ATOM 1671 N LYS A 140 -12.638 10.251 2.621 1.00 0.88 N ATOM 1672 CA LYS A 140 -13.304 9.964 1.319 1.00 0.95 C ATOM 1673 C LYS A 140 -13.726 8.501 1.131 1.00 0.89 C ATOM 1674 O LYS A 140 -14.629 8.224 0.339 1.00 0.96 O ATOM 1675 CB LYS A 140 -12.402 10.368 0.137 1.00 1.17 C ATOM 1676 CG LYS A 140 -12.130 11.870 0.117 1.00 1.45 C ATOM 1677 CD LYS A 140 -11.104 12.282 -0.935 1.00 1.71 C ATOM 1678 CE LYS A 140 -10.684 13.713 -0.606 1.00 2.76 C ATOM 1679 NZ LYS A 140 -9.852 14.305 -1.677 1.00 3.13 N ATOM 0 H LYS A 140 -11.647 10.470 2.520 1.00 0.88 H new ATOM 0 HA LYS A 140 -14.214 10.564 1.338 1.00 0.95 H new ATOM 0 HB2 LYS A 140 -11.457 9.829 0.200 1.00 1.17 H new ATOM 0 HB3 LYS A 140 -12.876 10.072 -0.799 1.00 1.17 H new ATOM 0 HG2 LYS A 140 -13.064 12.399 -0.070 1.00 1.45 H new ATOM 0 HG3 LYS A 140 -11.778 12.182 1.100 1.00 1.45 H new ATOM 0 HD2 LYS A 140 -10.243 11.613 -0.918 1.00 1.71 H new ATOM 0 HD3 LYS A 140 -11.532 12.225 -1.936 1.00 1.71 H new ATOM 0 HE2 LYS A 140 -11.572 14.326 -0.456 1.00 2.76 H new ATOM 0 HE3 LYS A 140 -10.128 13.722 0.332 1.00 2.76 H new ATOM 0 HZ1 LYS A 140 -9.588 15.276 -1.415 1.00 3.13 H new ATOM 0 HZ2 LYS A 140 -8.992 13.735 -1.804 1.00 3.13 H new ATOM 0 HZ3 LYS A 140 -10.391 14.321 -2.566 1.00 3.13 H new ATOM 1693 N LEU A 141 -13.112 7.564 1.852 1.00 0.85 N ATOM 1694 CA LEU A 141 -13.552 6.171 1.957 1.00 0.84 C ATOM 1695 C LEU A 141 -14.602 5.960 3.073 1.00 0.80 C ATOM 1696 O LEU A 141 -15.131 4.860 3.218 1.00 0.86 O ATOM 1697 CB LEU A 141 -12.309 5.282 2.164 1.00 0.83 C ATOM 1698 CG LEU A 141 -11.666 4.664 0.908 1.00 0.75 C ATOM 1699 CD1 LEU A 141 -12.579 3.655 0.208 1.00 1.19 C ATOM 1700 CD2 LEU A 141 -11.186 5.715 -0.089 1.00 1.49 C ATOM 0 H LEU A 141 -12.271 7.757 2.395 1.00 0.85 H new ATOM 0 HA LEU A 141 -14.056 5.890 1.032 1.00 0.84 H new ATOM 0 HB2 LEU A 141 -11.550 5.876 2.674 1.00 0.83 H new ATOM 0 HB3 LEU A 141 -12.583 4.470 2.837 1.00 0.83 H new ATOM 0 HG LEU A 141 -10.792 4.126 1.277 1.00 0.75 H new ATOM 0 HD11 LEU A 141 -12.072 3.253 -0.669 1.00 1.19 H new ATOM 0 HD12 LEU A 141 -12.816 2.842 0.894 1.00 1.19 H new ATOM 0 HD13 LEU A 141 -13.500 4.150 -0.100 1.00 1.19 H new ATOM 0 HD21 LEU A 141 -10.742 5.221 -0.953 1.00 1.49 H new ATOM 0 HD22 LEU A 141 -12.031 6.322 -0.413 1.00 1.49 H new ATOM 0 HD23 LEU A 141 -10.441 6.354 0.386 1.00 1.49 H new ATOM 1712 N GLY A 142 -14.882 6.983 3.890 1.00 0.75 N ATOM 1713 CA GLY A 142 -15.714 6.901 5.101 1.00 0.73 C ATOM 1714 C GLY A 142 -15.048 6.187 6.289 1.00 0.64 C ATOM 1715 O GLY A 142 -15.685 5.988 7.329 1.00 0.77 O ATOM 0 H GLY A 142 -14.524 7.923 3.722 1.00 0.75 H new ATOM 0 HA2 GLY A 142 -15.987 7.911 5.408 1.00 0.73 H new ATOM 0 HA3 GLY A 142 -16.640 6.382 4.855 1.00 0.73 H new ATOM 1719 N ILE A 143 -13.770 5.813 6.157 1.00 0.51 N ATOM 1720 CA ILE A 143 -12.955 5.177 7.193 1.00 0.48 C ATOM 1721 C ILE A 143 -12.569 6.180 8.285 1.00 0.46 C ATOM 1722 O ILE A 143 -12.239 7.343 8.036 1.00 0.60 O ATOM 1723 CB ILE A 143 -11.704 4.482 6.595 1.00 0.53 C ATOM 1724 CG1 ILE A 143 -12.101 3.354 5.612 1.00 0.57 C ATOM 1725 CG2 ILE A 143 -10.840 3.926 7.746 1.00 0.55 C ATOM 1726 CD1 ILE A 143 -10.938 2.767 4.787 1.00 0.66 C ATOM 0 H ILE A 143 -13.256 5.952 5.287 1.00 0.51 H new ATOM 0 HA ILE A 143 -13.563 4.399 7.655 1.00 0.48 H new ATOM 0 HB ILE A 143 -11.129 5.214 6.028 1.00 0.53 H new ATOM 0 HG12 ILE A 143 -12.568 2.548 6.178 1.00 0.57 H new ATOM 0 HG13 ILE A 143 -12.855 3.740 4.926 1.00 0.57 H new ATOM 0 HG21 ILE A 143 -9.958 3.435 7.335 1.00 0.55 H new ATOM 0 HG22 ILE A 143 -10.530 4.744 8.396 1.00 0.55 H new ATOM 0 HG23 ILE A 143 -11.421 3.205 8.321 1.00 0.55 H new ATOM 0 HD11 ILE A 143 -11.317 1.985 4.129 1.00 0.66 H new ATOM 0 HD12 ILE A 143 -10.482 3.556 4.188 1.00 0.66 H new ATOM 0 HD13 ILE A 143 -10.191 2.345 5.460 1.00 0.66 H new ATOM 1738 N HIS A 144 -12.564 5.687 9.517 1.00 0.45 N ATOM 1739 CA HIS A 144 -11.952 6.312 10.680 1.00 0.48 C ATOM 1740 C HIS A 144 -10.444 6.024 10.745 1.00 0.51 C ATOM 1741 O HIS A 144 -10.044 4.904 11.071 1.00 0.64 O ATOM 1742 CB HIS A 144 -12.686 5.728 11.886 1.00 0.74 C ATOM 1743 CG HIS A 144 -12.287 6.247 13.248 1.00 1.28 C ATOM 1744 ND1 HIS A 144 -12.883 7.267 13.959 1.00 1.73 N ATOM 1745 CD2 HIS A 144 -11.369 5.668 14.084 1.00 1.76 C ATOM 1746 CE1 HIS A 144 -12.323 7.319 15.178 1.00 2.24 C ATOM 1747 NE2 HIS A 144 -11.408 6.344 15.311 1.00 2.27 N ATOM 0 H HIS A 144 -13.009 4.797 9.742 1.00 0.45 H new ATOM 0 HA HIS A 144 -12.039 7.398 10.645 1.00 0.48 H new ATOM 0 HB2 HIS A 144 -13.753 5.909 11.754 1.00 0.74 H new ATOM 0 HB3 HIS A 144 -12.542 4.648 11.880 1.00 0.74 H new ATOM 0 HD2 HIS A 144 -10.727 4.835 13.840 1.00 1.76 H new ATOM 0 HE1 HIS A 144 -12.572 8.041 15.942 1.00 2.24 H new ATOM 0 HE2 HIS A 144 -10.852 6.137 16.141 1.00 2.27 H new ATOM 1755 N SER A 145 -9.599 7.024 10.495 1.00 0.48 N ATOM 1756 CA SER A 145 -8.259 7.060 11.074 1.00 0.46 C ATOM 1757 C SER A 145 -8.366 7.027 12.600 1.00 0.50 C ATOM 1758 O SER A 145 -8.946 7.907 13.204 1.00 0.55 O ATOM 1759 CB SER A 145 -7.559 8.341 10.600 1.00 0.44 C ATOM 1760 OG SER A 145 -6.478 8.667 11.448 1.00 0.45 O ATOM 0 H SER A 145 -9.820 7.819 9.895 1.00 0.48 H new ATOM 0 HA SER A 145 -7.677 6.196 10.754 1.00 0.46 H new ATOM 0 HB2 SER A 145 -7.199 8.207 9.580 1.00 0.44 H new ATOM 0 HB3 SER A 145 -8.273 9.165 10.581 1.00 0.44 H new ATOM 0 HG SER A 145 -5.676 8.187 11.154 1.00 0.45 H new ATOM 1766 N ALA A 146 -7.782 6.044 13.267 1.00 0.52 N ATOM 1767 CA ALA A 146 -7.779 5.938 14.727 1.00 0.56 C ATOM 1768 C ALA A 146 -7.228 7.197 15.439 1.00 0.61 C ATOM 1769 O ALA A 146 -7.620 7.490 16.572 1.00 0.89 O ATOM 1770 CB ALA A 146 -6.989 4.682 15.087 1.00 0.50 C ATOM 0 H ALA A 146 -7.287 5.281 12.805 1.00 0.52 H new ATOM 0 HA ALA A 146 -8.807 5.863 15.083 1.00 0.56 H new ATOM 0 HB1 ALA A 146 -6.963 4.567 16.171 1.00 0.50 H new ATOM 0 HB2 ALA A 146 -7.468 3.811 14.641 1.00 0.50 H new ATOM 0 HB3 ALA A 146 -5.971 4.771 14.707 1.00 0.50 H new ATOM 1776 N LEU A 147 -6.384 7.983 14.754 1.00 0.51 N ATOM 1777 CA LEU A 147 -5.811 9.243 15.194 1.00 0.58 C ATOM 1778 C LEU A 147 -6.829 10.404 15.230 1.00 0.70 C ATOM 1779 O LEU A 147 -6.518 11.485 15.735 1.00 0.83 O ATOM 1780 CB LEU A 147 -4.619 9.534 14.270 1.00 0.49 C ATOM 1781 CG LEU A 147 -3.615 8.395 14.009 1.00 0.47 C ATOM 1782 CD1 LEU A 147 -2.361 8.943 13.332 1.00 0.49 C ATOM 1783 CD2 LEU A 147 -3.197 7.690 15.291 1.00 0.55 C ATOM 0 H LEU A 147 -6.069 7.730 13.817 1.00 0.51 H new ATOM 0 HA LEU A 147 -5.485 9.156 16.230 1.00 0.58 H new ATOM 0 HB2 LEU A 147 -5.014 9.859 13.307 1.00 0.49 H new ATOM 0 HB3 LEU A 147 -4.068 10.376 14.690 1.00 0.49 H new ATOM 0 HG LEU A 147 -4.119 7.675 13.364 1.00 0.47 H new ATOM 0 HD11 LEU A 147 -1.659 8.129 13.153 1.00 0.49 H new ATOM 0 HD12 LEU A 147 -2.632 9.404 12.382 1.00 0.49 H new ATOM 0 HD13 LEU A 147 -1.895 9.688 13.977 1.00 0.49 H new ATOM 0 HD21 LEU A 147 -2.489 6.895 15.055 1.00 0.55 H new ATOM 0 HD22 LEU A 147 -2.727 8.407 15.964 1.00 0.55 H new ATOM 0 HD23 LEU A 147 -4.075 7.262 15.774 1.00 0.55 H new ATOM 1795 N LEU A 148 -8.065 10.180 14.764 1.00 0.72 N ATOM 1796 CA LEU A 148 -9.229 11.040 14.982 1.00 0.87 C ATOM 1797 C LEU A 148 -9.497 11.304 16.477 1.00 1.07 C ATOM 1798 O LEU A 148 -10.058 12.345 16.829 1.00 1.38 O ATOM 1799 CB LEU A 148 -10.474 10.399 14.330 1.00 0.94 C ATOM 1800 CG LEU A 148 -10.769 10.954 12.920 1.00 1.15 C ATOM 1801 CD1 LEU A 148 -10.057 10.225 11.827 1.00 2.07 C ATOM 1802 CD2 LEU A 148 -12.257 10.964 12.568 1.00 2.58 C ATOM 0 H LEU A 148 -8.287 9.359 14.201 1.00 0.72 H new ATOM 0 HA LEU A 148 -9.015 12.004 14.520 1.00 0.87 H new ATOM 0 HB2 LEU A 148 -10.330 9.320 14.267 1.00 0.94 H new ATOM 0 HB3 LEU A 148 -11.340 10.568 14.970 1.00 0.94 H new ATOM 0 HG LEU A 148 -10.397 11.977 12.979 1.00 1.15 H new ATOM 0 HD11 LEU A 148 -10.313 10.671 10.866 1.00 2.07 H new ATOM 0 HD12 LEU A 148 -8.981 10.295 11.984 1.00 2.07 H new ATOM 0 HD13 LEU A 148 -10.358 9.177 11.833 1.00 2.07 H new ATOM 0 HD21 LEU A 148 -12.391 11.366 11.564 1.00 2.58 H new ATOM 0 HD22 LEU A 148 -12.647 9.947 12.606 1.00 2.58 H new ATOM 0 HD23 LEU A 148 -12.796 11.586 13.283 1.00 2.58 H new ATOM 1814 N ASP A 149 -9.095 10.378 17.354 1.00 1.13 N ATOM 1815 CA ASP A 149 -9.384 10.400 18.796 1.00 1.58 C ATOM 1816 C ASP A 149 -8.247 10.941 19.680 1.00 1.55 C ATOM 1817 O ASP A 149 -8.171 10.652 20.877 1.00 1.89 O ATOM 1818 CB ASP A 149 -9.894 9.019 19.229 1.00 2.07 C ATOM 1819 CG ASP A 149 -10.756 9.095 20.489 1.00 2.71 C ATOM 1820 OD1 ASP A 149 -11.735 9.880 20.477 1.00 2.61 O ATOM 1821 OD2 ASP A 149 -10.500 8.345 21.464 1.00 3.76 O ATOM 0 H ASP A 149 -8.543 9.567 17.074 1.00 1.13 H new ATOM 0 HA ASP A 149 -10.172 11.136 18.957 1.00 1.58 H new ATOM 0 HB2 ASP A 149 -10.474 8.577 18.419 1.00 2.07 H new ATOM 0 HB3 ASP A 149 -9.045 8.360 19.410 1.00 2.07 H new ATOM 1826 N GLU A 150 -7.357 11.732 19.084 1.00 1.43 N ATOM 1827 CA GLU A 150 -6.282 12.476 19.744 1.00 1.87 C ATOM 1828 C GLU A 150 -6.743 13.883 20.171 1.00 2.34 C ATOM 1829 O GLU A 150 -7.173 14.029 21.340 1.00 3.24 O ATOM 1830 CB GLU A 150 -5.048 12.427 18.822 1.00 2.21 C ATOM 1831 CG GLU A 150 -3.837 13.058 19.503 1.00 3.07 C ATOM 1832 CD GLU A 150 -2.504 12.743 18.792 1.00 3.59 C ATOM 1833 OE1 GLU A 150 -1.884 11.688 19.092 1.00 3.83 O ATOM 1834 OE2 GLU A 150 -2.047 13.572 17.962 1.00 4.56 O ATOM 0 H GLU A 150 -7.365 11.880 18.075 1.00 1.43 H new ATOM 0 HA GLU A 150 -5.997 12.018 20.691 1.00 1.87 H new ATOM 0 HB2 GLU A 150 -4.825 11.393 18.560 1.00 2.21 H new ATOM 0 HB3 GLU A 150 -5.263 12.953 17.892 1.00 2.21 H new ATOM 0 HG2 GLU A 150 -3.973 14.139 19.542 1.00 3.07 H new ATOM 0 HG3 GLU A 150 -3.784 12.706 20.533 1.00 3.07 H new