USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 889 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 77 THR OG1 : rot 14:sc= 0.284 USER MOD Set 1.2: A 86 ASN : amide:sc= -1.6 K(o=-1.3,f=-6.5!) USER MOD Set 2.1: A 54 THR OG1 : rot -160:sc=0.000297 USER MOD Set 2.2: A 84 GLN : amide:sc= 0.00142 X(o=0.0017,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.111 (180deg=-0.159) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -123:sc= 0 (180deg=-0.536) USER MOD Single : A 14 SER OG : rot 47:sc= 0.003 USER MOD Single : A 16 ASN : amide:sc= -0.757 K(o=-0.76,f=-0.13) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 140:sc= -0.0123 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -170:sc= 1.14 USER MOD Single : A 48 THR OG1 : rot -36:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.029) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-2.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -4.68! C(o=-4.7!,f=-7!) USER MOD Single : A 76 THR OG1 : rot -179:sc= 0.0794! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.25) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -33:sc= 0.0238 USER MOD Single : A 92 LYS NZ :NH3+ -152:sc= 0.17 (180deg=0.0144) USER MOD Single : A 97 SER OG : rot 28:sc= 0.0726 USER MOD Single : A 104 SER OG : rot -122:sc= 0.0757 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.039) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 75:sc= 0.0621 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0604 USER MOD ----------------------------------------------------------------- ATOM 193 N MET A 1 10.429 -1.759 14.571 1.00 0.49 N ATOM 194 CA MET A 1 9.016 -2.216 14.557 1.00 0.49 C ATOM 195 C MET A 1 8.431 -2.141 13.151 1.00 0.45 C ATOM 196 O MET A 1 7.213 -2.180 12.971 1.00 0.44 O ATOM 197 CB MET A 1 8.177 -1.367 15.514 1.00 0.50 C ATOM 198 CG MET A 1 8.533 -1.567 16.977 1.00 0.54 C ATOM 199 SD MET A 1 7.083 -1.827 18.016 1.00 0.57 S ATOM 200 CE MET A 1 7.786 -2.811 19.338 1.00 0.61 C ATOM 0 H1 MET A 1 10.762 -1.690 15.554 1.00 0.49 H new ATOM 0 H2 MET A 1 11.019 -2.440 14.052 1.00 0.49 H new ATOM 0 H3 MET A 1 10.497 -0.826 14.117 1.00 0.49 H new ATOM 0 HA MET A 1 8.994 -3.255 14.884 1.00 0.49 H new ATOM 0 HB2 MET A 1 8.303 -0.315 15.259 1.00 0.50 H new ATOM 0 HB3 MET A 1 7.123 -1.606 15.369 1.00 0.50 H new ATOM 0 HG2 MET A 1 9.200 -2.424 17.071 1.00 0.54 H new ATOM 0 HG3 MET A 1 9.081 -0.696 17.336 1.00 0.54 H new ATOM 0 HE1 MET A 1 7.010 -3.053 20.064 1.00 0.61 H new ATOM 0 HE2 MET A 1 8.198 -3.732 18.926 1.00 0.61 H new ATOM 0 HE3 MET A 1 8.579 -2.247 19.829 1.00 0.61 H new ATOM 212 N GLU A 2 9.305 -2.033 12.157 1.00 0.43 N ATOM 213 CA GLU A 2 8.875 -1.953 10.765 1.00 0.40 C ATOM 214 C GLU A 2 9.423 -3.125 9.957 1.00 0.40 C ATOM 215 O GLU A 2 10.622 -3.405 9.986 1.00 0.42 O ATOM 216 CB GLU A 2 9.331 -0.632 10.140 1.00 0.38 C ATOM 217 CG GLU A 2 10.715 -0.191 10.590 1.00 0.39 C ATOM 218 CD GLU A 2 10.682 1.080 11.413 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.020 2.048 10.987 1.00 0.38 O ATOM 220 OE2 GLU A 2 11.322 1.109 12.486 1.00 0.42 O ATOM 0 H GLU A 2 10.316 -1.999 12.289 1.00 0.43 H new ATOM 0 HA GLU A 2 7.786 -1.998 10.747 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.326 -0.732 9.055 1.00 0.38 H new ATOM 0 HB3 GLU A 2 8.611 0.147 10.391 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.173 -0.987 11.176 1.00 0.39 H new ATOM 0 HG3 GLU A 2 11.346 -0.036 9.715 1.00 0.39 H new ATOM 227 N GLU A 3 8.537 -3.805 9.236 1.00 0.39 N ATOM 228 CA GLU A 3 8.931 -4.946 8.419 1.00 0.40 C ATOM 229 C GLU A 3 9.173 -4.528 6.969 1.00 0.37 C ATOM 230 O GLU A 3 8.879 -3.397 6.581 1.00 0.35 O ATOM 231 CB GLU A 3 7.864 -6.040 8.482 1.00 0.41 C ATOM 232 CG GLU A 3 6.647 -5.764 7.612 1.00 0.38 C ATOM 233 CD GLU A 3 5.394 -6.441 8.133 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.180 -7.627 7.804 1.00 0.41 O ATOM 235 OE2 GLU A 3 4.627 -5.784 8.868 1.00 0.39 O ATOM 0 H GLU A 3 7.542 -3.585 9.201 1.00 0.39 H new ATOM 0 HA GLU A 3 9.865 -5.340 8.819 1.00 0.40 H new ATOM 0 HB2 GLU A 3 8.310 -6.987 8.177 1.00 0.41 H new ATOM 0 HB3 GLU A 3 7.540 -6.159 9.516 1.00 0.41 H new ATOM 0 HG2 GLU A 3 6.479 -4.688 7.559 1.00 0.38 H new ATOM 0 HG3 GLU A 3 6.845 -6.106 6.596 1.00 0.38 H new ATOM 242 N LYS A 4 9.713 -5.449 6.175 1.00 0.39 N ATOM 243 CA LYS A 4 9.998 -5.185 4.769 1.00 0.37 C ATOM 244 C LYS A 4 8.878 -5.711 3.877 1.00 0.36 C ATOM 245 O LYS A 4 7.953 -6.371 4.346 1.00 0.37 O ATOM 246 CB LYS A 4 11.329 -5.827 4.374 1.00 0.41 C ATOM 247 CG LYS A 4 11.576 -7.179 5.022 1.00 0.44 C ATOM 248 CD LYS A 4 12.354 -7.043 6.322 1.00 0.46 C ATOM 249 CE LYS A 4 13.837 -7.296 6.115 1.00 0.49 C ATOM 250 NZ LYS A 4 14.445 -8.018 7.266 1.00 0.52 N ATOM 0 H LYS A 4 9.963 -6.388 6.484 1.00 0.39 H new ATOM 0 HA LYS A 4 10.066 -4.106 4.631 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.358 -5.944 3.291 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.141 -5.152 4.644 1.00 0.41 H new ATOM 0 HG2 LYS A 4 10.622 -7.669 5.218 1.00 0.44 H new ATOM 0 HG3 LYS A 4 12.127 -7.818 4.333 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.208 -6.043 6.731 1.00 0.46 H new ATOM 0 HD3 LYS A 4 11.963 -7.748 7.056 1.00 0.46 H new ATOM 0 HE2 LYS A 4 13.982 -7.878 5.205 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.350 -6.345 5.971 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 15.458 -8.171 7.084 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 14.330 -7.452 8.131 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 13.973 -8.937 7.388 1.00 0.52 H new ATOM 264 N VAL A 5 8.972 -5.410 2.584 1.00 0.35 N ATOM 265 CA VAL A 5 7.974 -5.849 1.616 1.00 0.34 C ATOM 266 C VAL A 5 8.101 -7.343 1.336 1.00 0.37 C ATOM 267 O VAL A 5 7.101 -8.036 1.154 1.00 0.37 O ATOM 268 CB VAL A 5 8.106 -5.069 0.291 1.00 0.32 C ATOM 269 CG1 VAL A 5 7.064 -5.529 -0.716 1.00 0.31 C ATOM 270 CG2 VAL A 5 7.986 -3.572 0.537 1.00 0.29 C ATOM 0 H VAL A 5 9.733 -4.862 2.183 1.00 0.35 H new ATOM 0 HA VAL A 5 6.994 -5.650 2.050 1.00 0.34 H new ATOM 0 HB VAL A 5 9.093 -5.273 -0.125 1.00 0.32 H new ATOM 0 HG11 VAL A 5 7.178 -4.964 -1.641 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.199 -6.591 -0.920 1.00 0.31 H new ATOM 0 HG13 VAL A 5 6.067 -5.362 -0.309 1.00 0.31 H new ATOM 0 HG21 VAL A 5 8.082 -3.039 -0.409 1.00 0.29 H new ATOM 0 HG22 VAL A 5 7.015 -3.353 0.980 1.00 0.29 H new ATOM 0 HG23 VAL A 5 8.776 -3.250 1.216 1.00 0.29 H new ATOM 280 N GLY A 6 9.337 -7.833 1.309 1.00 0.41 N ATOM 281 CA GLY A 6 9.572 -9.240 1.048 1.00 0.44 C ATOM 282 C GLY A 6 9.284 -10.115 2.252 1.00 0.46 C ATOM 283 O GLY A 6 9.503 -11.327 2.213 1.00 0.50 O ATOM 0 H GLY A 6 10.180 -7.280 1.463 1.00 0.41 H new ATOM 0 HA2 GLY A 6 8.947 -9.560 0.214 1.00 0.44 H new ATOM 0 HA3 GLY A 6 10.609 -9.380 0.742 1.00 0.44 H new ATOM 287 N ASN A 7 8.791 -9.504 3.325 1.00 0.44 N ATOM 288 CA ASN A 7 8.475 -10.237 4.547 1.00 0.47 C ATOM 289 C ASN A 7 7.055 -9.943 5.020 1.00 0.44 C ATOM 290 O ASN A 7 6.609 -10.477 6.034 1.00 0.46 O ATOM 291 CB ASN A 7 9.469 -9.874 5.646 1.00 0.48 C ATOM 292 CG ASN A 7 9.658 -10.989 6.655 1.00 0.52 C ATOM 293 OD1 ASN A 7 9.804 -12.156 6.289 1.00 0.54 O ATOM 294 ND2 ASN A 7 9.654 -10.633 7.935 1.00 0.52 N ATOM 0 H ASN A 7 8.602 -8.503 3.373 1.00 0.44 H new ATOM 0 HA ASN A 7 8.547 -11.302 4.326 1.00 0.47 H new ATOM 0 HB2 ASN A 7 10.431 -9.631 5.195 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.123 -8.978 6.161 1.00 0.48 H new ATOM 0 HD21 ASN A 7 9.775 -11.339 8.661 1.00 0.52 H new ATOM 0 HD22 ASN A 7 9.530 -9.654 8.192 1.00 0.52 H new ATOM 301 N LEU A 8 6.348 -9.091 4.284 1.00 0.41 N ATOM 302 CA LEU A 8 4.981 -8.732 4.642 1.00 0.39 C ATOM 303 C LEU A 8 4.008 -9.849 4.279 1.00 0.40 C ATOM 304 O LEU A 8 4.288 -10.675 3.409 1.00 0.42 O ATOM 305 CB LEU A 8 4.569 -7.431 3.943 1.00 0.35 C ATOM 306 CG LEU A 8 3.837 -7.608 2.612 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.331 -7.518 2.812 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.299 -6.574 1.604 1.00 0.30 C ATOM 0 H LEU A 8 6.698 -8.638 3.440 1.00 0.41 H new ATOM 0 HA LEU A 8 4.945 -8.583 5.721 1.00 0.39 H new ATOM 0 HB2 LEU A 8 3.929 -6.862 4.618 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.463 -6.832 3.770 1.00 0.35 H new ATOM 0 HG LEU A 8 4.075 -8.598 2.223 1.00 0.33 H new ATOM 0 HD11 LEU A 8 1.828 -7.646 1.853 1.00 0.32 H new ATOM 0 HD12 LEU A 8 2.008 -8.300 3.499 1.00 0.32 H new ATOM 0 HD13 LEU A 8 2.077 -6.543 3.227 1.00 0.32 H new ATOM 0 HD21 LEU A 8 3.766 -6.718 0.664 1.00 0.30 H new ATOM 0 HD22 LEU A 8 4.094 -5.575 1.988 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.370 -6.685 1.434 1.00 0.30 H new ATOM 320 N LYS A 9 2.866 -9.862 4.954 1.00 0.40 N ATOM 321 CA LYS A 9 1.837 -10.859 4.703 1.00 0.42 C ATOM 322 C LYS A 9 0.452 -10.214 4.746 1.00 0.40 C ATOM 323 O LYS A 9 0.254 -9.211 5.432 1.00 0.39 O ATOM 324 CB LYS A 9 1.936 -11.997 5.716 1.00 0.46 C ATOM 325 CG LYS A 9 1.420 -11.641 7.100 1.00 0.47 C ATOM 326 CD LYS A 9 0.345 -12.612 7.560 1.00 0.50 C ATOM 327 CE LYS A 9 0.931 -13.717 8.423 1.00 0.54 C ATOM 328 NZ LYS A 9 0.539 -13.574 9.852 1.00 0.56 N ATOM 0 H LYS A 9 2.630 -9.189 5.683 1.00 0.40 H new ATOM 0 HA LYS A 9 1.991 -11.276 3.708 1.00 0.42 H new ATOM 0 HB2 LYS A 9 1.376 -12.853 5.340 1.00 0.46 H new ATOM 0 HB3 LYS A 9 2.978 -12.308 5.797 1.00 0.46 H new ATOM 0 HG2 LYS A 9 2.246 -11.648 7.811 1.00 0.47 H new ATOM 0 HG3 LYS A 9 1.017 -10.628 7.090 1.00 0.47 H new ATOM 0 HD2 LYS A 9 -0.417 -12.074 8.123 1.00 0.50 H new ATOM 0 HD3 LYS A 9 -0.149 -13.049 6.692 1.00 0.50 H new ATOM 0 HE2 LYS A 9 0.596 -14.685 8.050 1.00 0.54 H new ATOM 0 HE3 LYS A 9 2.018 -13.703 8.342 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 0.959 -14.347 10.406 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 0.881 -12.662 10.216 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 -0.497 -13.613 9.933 1.00 0.56 H new ATOM 342 N PRO A 10 -0.526 -10.775 4.013 1.00 0.40 N ATOM 343 CA PRO A 10 -1.882 -10.229 3.971 1.00 0.39 C ATOM 344 C PRO A 10 -2.702 -10.580 5.211 1.00 0.41 C ATOM 345 O PRO A 10 -2.307 -11.437 6.003 1.00 0.45 O ATOM 346 CB PRO A 10 -2.484 -10.894 2.736 1.00 0.38 C ATOM 347 CG PRO A 10 -1.780 -12.203 2.632 1.00 0.42 C ATOM 348 CD PRO A 10 -0.390 -11.983 3.175 1.00 0.42 C ATOM 0 HA PRO A 10 -1.878 -9.140 3.938 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -3.560 -11.030 2.844 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -2.328 -10.288 1.844 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -2.302 -12.971 3.202 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.743 -12.543 1.597 1.00 0.42 H new ATOM 0 HD2 PRO A 10 -0.049 -12.838 3.758 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.334 -11.834 2.374 1.00 0.42 H new ATOM 356 N ASN A 11 -3.834 -9.891 5.374 1.00 0.41 N ATOM 357 CA ASN A 11 -4.742 -10.127 6.496 1.00 0.44 C ATOM 358 C ASN A 11 -4.164 -9.611 7.811 1.00 0.45 C ATOM 359 O ASN A 11 -4.473 -10.134 8.882 1.00 0.49 O ATOM 360 CB ASN A 11 -5.084 -11.617 6.617 1.00 0.47 C ATOM 361 CG ASN A 11 -6.422 -11.956 5.991 1.00 0.47 C ATOM 362 OD1 ASN A 11 -7.437 -12.053 6.682 1.00 0.50 O ATOM 363 ND2 ASN A 11 -6.433 -12.141 4.674 1.00 0.45 N ATOM 0 H ASN A 11 -4.145 -9.159 4.736 1.00 0.41 H new ATOM 0 HA ASN A 11 -5.657 -9.571 6.292 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -4.302 -12.206 6.138 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -5.096 -11.900 7.670 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -7.305 -12.373 4.199 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -5.569 -12.051 4.139 1.00 0.45 H new ATOM 370 N MET A 12 -3.327 -8.583 7.725 1.00 0.43 N ATOM 371 CA MET A 12 -2.723 -7.989 8.913 1.00 0.44 C ATOM 372 C MET A 12 -3.313 -6.609 9.178 1.00 0.43 C ATOM 373 O MET A 12 -3.293 -5.741 8.308 1.00 0.40 O ATOM 374 CB MET A 12 -1.207 -7.885 8.752 1.00 0.43 C ATOM 375 CG MET A 12 -0.514 -9.233 8.660 1.00 0.45 C ATOM 376 SD MET A 12 1.043 -9.274 9.569 1.00 0.47 S ATOM 377 CE MET A 12 2.080 -8.271 8.509 1.00 0.43 C ATOM 0 H MET A 12 -3.051 -8.144 6.847 1.00 0.43 H new ATOM 0 HA MET A 12 -2.941 -8.635 9.763 1.00 0.44 H new ATOM 0 HB2 MET A 12 -0.984 -7.308 7.854 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.797 -7.331 9.597 1.00 0.43 H new ATOM 0 HG2 MET A 12 -1.178 -10.006 9.048 1.00 0.45 H new ATOM 0 HG3 MET A 12 -0.326 -9.470 7.613 1.00 0.45 H new ATOM 0 HE1 MET A 12 2.956 -8.845 8.208 1.00 0.43 H new ATOM 0 HE2 MET A 12 1.518 -7.977 7.623 1.00 0.43 H new ATOM 0 HE3 MET A 12 2.398 -7.380 9.049 1.00 0.43 H new ATOM 387 N GLU A 13 -3.838 -6.416 10.383 1.00 0.47 N ATOM 388 CA GLU A 13 -4.437 -5.139 10.756 1.00 0.47 C ATOM 389 C GLU A 13 -3.369 -4.156 11.223 1.00 0.46 C ATOM 390 O GLU A 13 -3.679 -3.130 11.831 1.00 0.48 O ATOM 391 CB GLU A 13 -5.483 -5.338 11.854 1.00 0.51 C ATOM 392 CG GLU A 13 -6.087 -6.734 11.883 1.00 0.53 C ATOM 393 CD GLU A 13 -7.515 -6.742 12.391 1.00 0.56 C ATOM 394 OE1 GLU A 13 -8.276 -5.817 12.038 1.00 0.55 O ATOM 395 OE2 GLU A 13 -7.870 -7.673 13.144 1.00 0.59 O ATOM 0 H GLU A 13 -3.861 -7.125 11.116 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.927 -4.725 9.875 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -5.025 -5.131 12.821 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -6.282 -4.610 11.717 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -6.060 -7.158 10.879 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -5.476 -7.377 12.517 1.00 0.53 H new ATOM 402 N SER A 14 -2.112 -4.474 10.933 1.00 0.45 N ATOM 403 CA SER A 14 -0.998 -3.620 11.318 1.00 0.44 C ATOM 404 C SER A 14 0.220 -3.906 10.448 1.00 0.41 C ATOM 405 O SER A 14 0.773 -5.006 10.481 1.00 0.42 O ATOM 406 CB SER A 14 -0.647 -3.837 12.792 1.00 0.48 C ATOM 407 OG SER A 14 -0.747 -5.206 13.144 1.00 0.50 O ATOM 0 H SER A 14 -1.840 -5.319 10.431 1.00 0.45 H new ATOM 0 HA SER A 14 -1.296 -2.582 11.173 1.00 0.44 H new ATOM 0 HB2 SER A 14 0.366 -3.482 12.984 1.00 0.48 H new ATOM 0 HB3 SER A 14 -1.316 -3.247 13.419 1.00 0.48 H new ATOM 0 HG SER A 14 -0.298 -5.752 12.465 1.00 0.50 H new ATOM 413 N VAL A 15 0.635 -2.911 9.669 1.00 0.38 N ATOM 414 CA VAL A 15 1.788 -3.065 8.787 1.00 0.35 C ATOM 415 C VAL A 15 2.644 -1.801 8.755 1.00 0.34 C ATOM 416 O VAL A 15 2.229 -0.769 8.234 1.00 0.32 O ATOM 417 CB VAL A 15 1.366 -3.405 7.342 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.358 -4.367 6.708 1.00 0.32 C ATOM 419 CG2 VAL A 15 -0.042 -3.982 7.300 1.00 0.34 C ATOM 0 H VAL A 15 0.192 -1.993 9.630 1.00 0.38 H new ATOM 0 HA VAL A 15 2.370 -3.891 9.196 1.00 0.35 H new ATOM 0 HB VAL A 15 1.365 -2.479 6.767 1.00 0.32 H new ATOM 0 HG11 VAL A 15 2.044 -4.595 5.690 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.347 -3.909 6.689 1.00 0.32 H new ATOM 0 HG13 VAL A 15 2.395 -5.287 7.291 1.00 0.32 H new ATOM 0 HG21 VAL A 15 -0.311 -4.211 6.269 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -0.080 -4.894 7.896 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.746 -3.255 7.705 1.00 0.34 H new ATOM 429 N ASN A 16 3.842 -1.902 9.316 1.00 0.35 N ATOM 430 CA ASN A 16 4.781 -0.786 9.344 1.00 0.34 C ATOM 431 C ASN A 16 5.922 -1.055 8.371 1.00 0.33 C ATOM 432 O ASN A 16 6.546 -2.114 8.424 1.00 0.34 O ATOM 433 CB ASN A 16 5.326 -0.592 10.756 1.00 0.38 C ATOM 434 CG ASN A 16 5.070 0.804 11.289 1.00 0.39 C ATOM 435 OD1 ASN A 16 4.433 0.976 12.329 1.00 0.41 O ATOM 436 ND2 ASN A 16 5.567 1.810 10.580 1.00 0.37 N ATOM 0 H ASN A 16 4.189 -2.752 9.761 1.00 0.35 H new ATOM 0 HA ASN A 16 4.264 0.125 9.045 1.00 0.34 H new ATOM 0 HB2 ASN A 16 4.867 -1.322 11.423 1.00 0.38 H new ATOM 0 HB3 ASN A 16 6.398 -0.788 10.758 1.00 0.38 H new ATOM 0 HD21 ASN A 16 5.427 2.771 10.891 1.00 0.37 H new ATOM 0 HD22 ASN A 16 6.089 1.622 9.724 1.00 0.37 H new ATOM 443 N VAL A 17 6.193 -0.107 7.479 1.00 0.30 N ATOM 444 CA VAL A 17 7.244 -0.301 6.487 1.00 0.29 C ATOM 445 C VAL A 17 7.729 1.021 5.883 1.00 0.27 C ATOM 446 O VAL A 17 6.988 1.998 5.823 1.00 0.26 O ATOM 447 CB VAL A 17 6.727 -1.223 5.363 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.311 -0.831 4.972 1.00 0.25 C ATOM 449 CG2 VAL A 17 7.652 -1.204 4.151 1.00 0.27 C ATOM 0 H VAL A 17 5.708 0.789 7.422 1.00 0.30 H new ATOM 0 HA VAL A 17 8.093 -0.758 6.995 1.00 0.29 H new ATOM 0 HB VAL A 17 6.715 -2.244 5.744 1.00 0.27 H new ATOM 0 HG11 VAL A 17 4.957 -1.489 4.178 1.00 0.25 H new ATOM 0 HG12 VAL A 17 4.656 -0.923 5.838 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.303 0.200 4.619 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.255 -1.865 3.380 1.00 0.27 H new ATOM 0 HG22 VAL A 17 7.718 -0.189 3.760 1.00 0.27 H new ATOM 0 HG23 VAL A 17 8.645 -1.545 4.446 1.00 0.27 H new ATOM 459 N THR A 18 8.986 1.028 5.443 1.00 0.28 N ATOM 460 CA THR A 18 9.587 2.199 4.811 1.00 0.27 C ATOM 461 C THR A 18 9.927 1.875 3.361 1.00 0.26 C ATOM 462 O THR A 18 10.613 0.890 3.087 1.00 0.28 O ATOM 463 CB THR A 18 10.867 2.653 5.539 1.00 0.30 C ATOM 464 OG1 THR A 18 10.902 2.102 6.861 1.00 0.32 O ATOM 465 CG2 THR A 18 10.939 4.171 5.614 1.00 0.30 C ATOM 0 H THR A 18 9.613 0.226 5.514 1.00 0.28 H new ATOM 0 HA THR A 18 8.862 3.012 4.863 1.00 0.27 H new ATOM 0 HB THR A 18 11.726 2.292 4.973 1.00 0.30 H new ATOM 0 HG1 THR A 18 11.719 2.394 7.316 1.00 0.32 H new ATOM 0 HG21 THR A 18 11.851 4.467 6.132 1.00 0.30 H new ATOM 0 HG22 THR A 18 10.944 4.585 4.606 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.074 4.550 6.158 1.00 0.30 H new ATOM 473 N VAL A 19 9.451 2.701 2.431 1.00 0.25 N ATOM 474 CA VAL A 19 9.696 2.464 1.013 1.00 0.25 C ATOM 475 C VAL A 19 9.790 3.769 0.234 1.00 0.25 C ATOM 476 O VAL A 19 9.720 4.858 0.805 1.00 0.25 O ATOM 477 CB VAL A 19 8.577 1.602 0.388 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.538 0.217 1.018 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.229 2.293 0.529 1.00 0.20 C ATOM 0 H VAL A 19 8.898 3.534 2.633 1.00 0.25 H new ATOM 0 HA VAL A 19 10.647 1.936 0.949 1.00 0.25 H new ATOM 0 HB VAL A 19 8.795 1.483 -0.673 1.00 0.23 H new ATOM 0 HG11 VAL A 19 7.741 -0.369 0.560 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.494 -0.282 0.858 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.351 0.309 2.088 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.453 1.671 0.083 1.00 0.20 H new ATOM 0 HG22 VAL A 19 7.008 2.447 1.585 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.259 3.256 0.020 1.00 0.20 H new ATOM 489 N ARG A 20 9.954 3.645 -1.078 1.00 0.26 N ATOM 490 CA ARG A 20 10.046 4.799 -1.962 1.00 0.27 C ATOM 491 C ARG A 20 8.916 4.770 -2.981 1.00 0.26 C ATOM 492 O ARG A 20 8.432 3.699 -3.352 1.00 0.25 O ATOM 493 CB ARG A 20 11.397 4.808 -2.680 1.00 0.30 C ATOM 494 CG ARG A 20 11.792 6.176 -3.214 1.00 0.32 C ATOM 495 CD ARG A 20 12.845 6.829 -2.334 1.00 0.34 C ATOM 496 NE ARG A 20 13.313 8.097 -2.888 1.00 0.36 N ATOM 497 CZ ARG A 20 14.549 8.297 -3.341 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.442 7.316 -3.302 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.891 9.479 -3.834 1.00 0.42 N ATOM 0 H ARG A 20 10.026 2.747 -1.556 1.00 0.26 H new ATOM 0 HA ARG A 20 9.959 5.706 -1.363 1.00 0.27 H new ATOM 0 HB2 ARG A 20 12.167 4.459 -1.992 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.364 4.099 -3.508 1.00 0.30 H new ATOM 0 HG2 ARG A 20 12.175 6.076 -4.230 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.911 6.816 -3.267 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.432 6.999 -1.340 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.690 6.151 -2.217 1.00 0.34 H new ATOM 0 HE ARG A 20 12.654 8.875 -2.930 1.00 0.36 H new ATOM 0 HH11 ARG A 20 15.182 6.405 -2.924 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.388 7.473 -3.650 1.00 0.40 H new ATOM 0 HH21 ARG A 20 14.207 10.235 -3.866 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.838 9.632 -4.181 1.00 0.42 H new ATOM 513 N VAL A 21 8.496 5.945 -3.433 1.00 0.26 N ATOM 514 CA VAL A 21 7.416 6.037 -4.406 1.00 0.26 C ATOM 515 C VAL A 21 7.875 5.587 -5.790 1.00 0.28 C ATOM 516 O VAL A 21 8.876 6.068 -6.315 1.00 0.31 O ATOM 517 CB VAL A 21 6.859 7.470 -4.501 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.613 7.503 -5.373 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.561 8.020 -3.113 1.00 0.27 C ATOM 0 H VAL A 21 8.884 6.843 -3.143 1.00 0.26 H new ATOM 0 HA VAL A 21 6.626 5.373 -4.057 1.00 0.26 H new ATOM 0 HB VAL A 21 7.615 8.104 -4.964 1.00 0.27 H new ATOM 0 HG11 VAL A 21 5.234 8.524 -5.428 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.861 7.154 -6.375 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.850 6.856 -4.941 1.00 0.27 H new ATOM 0 HG21 VAL A 21 6.168 9.033 -3.200 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.824 7.386 -2.621 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.478 8.035 -2.523 1.00 0.27 H new ATOM 529 N LEU A 22 7.137 4.648 -6.367 1.00 0.27 N ATOM 530 CA LEU A 22 7.448 4.134 -7.691 1.00 0.30 C ATOM 531 C LEU A 22 6.468 4.689 -8.716 1.00 0.31 C ATOM 532 O LEU A 22 6.760 4.745 -9.911 1.00 0.34 O ATOM 533 CB LEU A 22 7.404 2.606 -7.684 1.00 0.30 C ATOM 534 CG LEU A 22 8.167 1.934 -6.538 1.00 0.29 C ATOM 535 CD1 LEU A 22 8.175 0.424 -6.714 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.591 2.466 -6.452 1.00 0.32 C ATOM 0 H LEU A 22 6.315 4.226 -5.935 1.00 0.27 H new ATOM 0 HA LEU A 22 8.453 4.453 -7.966 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.362 2.289 -7.640 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.808 2.243 -8.629 1.00 0.30 H new ATOM 0 HG LEU A 22 7.656 2.171 -5.605 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.722 -0.035 -5.890 1.00 0.30 H new ATOM 0 HD12 LEU A 22 7.150 0.053 -6.721 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.659 0.170 -7.657 1.00 0.30 H new ATOM 0 HD21 LEU A 22 10.114 1.975 -5.631 1.00 0.32 H new ATOM 0 HD22 LEU A 22 10.112 2.263 -7.388 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.568 3.541 -6.275 1.00 0.32 H new ATOM 548 N GLU A 23 5.301 5.101 -8.229 1.00 0.29 N ATOM 549 CA GLU A 23 4.257 5.656 -9.082 1.00 0.30 C ATOM 550 C GLU A 23 3.226 6.398 -8.242 1.00 0.28 C ATOM 551 O GLU A 23 3.206 6.273 -7.016 1.00 0.25 O ATOM 552 CB GLU A 23 3.577 4.549 -9.889 1.00 0.29 C ATOM 553 CG GLU A 23 2.977 5.033 -11.201 1.00 0.32 C ATOM 554 CD GLU A 23 3.786 4.598 -12.407 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.906 5.116 -12.589 1.00 0.38 O ATOM 556 OE2 GLU A 23 3.297 3.737 -13.171 1.00 0.36 O ATOM 0 H GLU A 23 5.054 5.060 -7.240 1.00 0.29 H new ATOM 0 HA GLU A 23 4.719 6.359 -9.775 1.00 0.30 H new ATOM 0 HB2 GLU A 23 4.304 3.765 -10.099 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.790 4.100 -9.283 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.960 4.652 -11.294 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.910 6.121 -11.186 1.00 0.32 H new ATOM 563 N ALA A 24 2.368 7.171 -8.900 1.00 0.30 N ATOM 564 CA ALA A 24 1.340 7.931 -8.202 1.00 0.29 C ATOM 565 C ALA A 24 0.248 8.396 -9.156 1.00 0.32 C ATOM 566 O ALA A 24 0.529 9.019 -10.180 1.00 0.35 O ATOM 567 CB ALA A 24 1.966 9.123 -7.492 1.00 0.31 C ATOM 0 H ALA A 24 2.365 7.287 -9.913 1.00 0.30 H new ATOM 0 HA ALA A 24 0.878 7.276 -7.463 1.00 0.29 H new ATOM 0 HB1 ALA A 24 1.190 9.686 -6.973 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.703 8.771 -6.771 1.00 0.31 H new ATOM 0 HB3 ALA A 24 2.453 9.767 -8.224 1.00 0.31 H new ATOM 573 N SER A 25 -1.001 8.090 -8.814 1.00 0.30 N ATOM 574 CA SER A 25 -2.138 8.483 -9.637 1.00 0.33 C ATOM 575 C SER A 25 -2.999 9.509 -8.905 1.00 0.35 C ATOM 576 O SER A 25 -3.031 9.540 -7.676 1.00 0.33 O ATOM 577 CB SER A 25 -2.978 7.259 -10.008 1.00 0.31 C ATOM 578 OG SER A 25 -3.416 7.331 -11.354 1.00 0.33 O ATOM 0 H SER A 25 -1.250 7.571 -7.972 1.00 0.30 H new ATOM 0 HA SER A 25 -1.758 8.937 -10.552 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.391 6.353 -9.861 1.00 0.31 H new ATOM 0 HB3 SER A 25 -3.840 7.191 -9.345 1.00 0.31 H new ATOM 0 HG SER A 25 -3.949 6.537 -11.567 1.00 0.33 H new ATOM 584 N GLU A 26 -3.695 10.344 -9.671 1.00 0.38 N ATOM 585 CA GLU A 26 -4.554 11.372 -9.093 1.00 0.41 C ATOM 586 C GLU A 26 -5.727 10.746 -8.346 1.00 0.39 C ATOM 587 O GLU A 26 -6.080 9.591 -8.580 1.00 0.37 O ATOM 588 CB GLU A 26 -5.071 12.307 -10.189 1.00 0.44 C ATOM 589 CG GLU A 26 -3.988 12.800 -11.134 1.00 0.46 C ATOM 590 CD GLU A 26 -3.047 13.792 -10.477 1.00 0.47 C ATOM 591 OE1 GLU A 26 -3.535 14.826 -9.974 1.00 0.50 O ATOM 592 OE2 GLU A 26 -1.825 13.536 -10.465 1.00 0.46 O ATOM 0 H GLU A 26 -3.681 10.329 -10.691 1.00 0.38 H new ATOM 0 HA GLU A 26 -3.962 11.948 -8.382 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -5.835 11.787 -10.767 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -5.553 13.167 -9.723 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -3.414 11.948 -11.499 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -4.453 13.267 -12.002 1.00 0.46 H new ATOM 599 N ALA A 27 -6.217 11.470 -7.367 1.00 0.41 N ATOM 600 CA ALA A 27 -7.269 10.979 -6.507 1.00 0.41 C ATOM 601 C ALA A 27 -8.648 11.011 -7.178 1.00 0.44 C ATOM 602 O ALA A 27 -9.089 12.041 -7.690 1.00 0.48 O ATOM 603 CB ALA A 27 -7.190 11.760 -5.211 1.00 0.43 C ATOM 0 H ALA A 27 -5.899 12.413 -7.144 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.125 9.920 -6.293 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -7.971 11.418 -4.532 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.214 11.603 -4.751 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.328 12.821 -5.417 1.00 0.43 H new ATOM 609 N ARG A 28 -9.316 9.848 -7.159 1.00 0.41 N ATOM 610 CA ARG A 28 -10.624 9.664 -7.795 1.00 0.43 C ATOM 611 C ARG A 28 -11.646 9.038 -6.828 1.00 0.43 C ATOM 612 O ARG A 28 -11.282 8.402 -5.843 1.00 0.44 O ATOM 613 CB ARG A 28 -10.436 8.779 -9.047 1.00 0.42 C ATOM 614 CG ARG A 28 -11.659 7.965 -9.456 1.00 0.56 C ATOM 615 CD ARG A 28 -11.300 6.511 -9.731 1.00 0.65 C ATOM 616 NE ARG A 28 -12.489 5.659 -9.810 1.00 0.86 N ATOM 617 CZ ARG A 28 -12.487 4.351 -9.551 1.00 1.02 C ATOM 618 NH1 ARG A 28 -11.362 3.733 -9.215 1.00 1.03 N ATOM 619 NH2 ARG A 28 -13.615 3.657 -9.627 1.00 1.24 N ATOM 0 H ARG A 28 -8.962 9.009 -6.701 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.023 10.637 -8.081 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -10.147 9.416 -9.883 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -9.607 8.094 -8.867 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -12.408 8.012 -8.666 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.107 8.404 -10.347 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -10.744 6.445 -10.666 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -10.643 6.144 -8.943 1.00 0.65 H new ATOM 0 HE ARG A 28 -13.372 6.093 -10.079 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -10.490 4.259 -9.153 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -11.369 2.732 -9.018 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -14.485 4.124 -9.884 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -13.613 2.656 -9.429 1.00 1.24 H new ATOM 633 N GLN A 29 -12.931 9.227 -7.132 1.00 0.45 N ATOM 634 CA GLN A 29 -14.022 8.698 -6.318 1.00 0.46 C ATOM 635 C GLN A 29 -14.405 7.279 -6.732 1.00 0.44 C ATOM 636 O GLN A 29 -14.460 6.961 -7.919 1.00 0.43 O ATOM 637 CB GLN A 29 -15.253 9.593 -6.452 1.00 0.51 C ATOM 638 CG GLN A 29 -15.120 10.921 -5.741 1.00 0.54 C ATOM 639 CD GLN A 29 -16.380 11.760 -5.827 1.00 0.61 C ATOM 640 OE1 GLN A 29 -16.541 12.563 -6.746 1.00 0.74 O ATOM 641 NE2 GLN A 29 -17.282 11.580 -4.870 1.00 0.84 N ATOM 0 H GLN A 29 -13.243 9.751 -7.950 1.00 0.45 H new ATOM 0 HA GLN A 29 -13.673 8.677 -5.286 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.446 9.775 -7.509 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.120 9.064 -6.056 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -14.877 10.745 -4.693 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.288 11.477 -6.172 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -17.109 10.904 -4.126 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -18.149 12.118 -4.878 1.00 0.84 H new ATOM 650 N ILE A 30 -14.677 6.435 -5.742 1.00 0.43 N ATOM 651 CA ILE A 30 -15.088 5.063 -5.995 1.00 0.40 C ATOM 652 C ILE A 30 -16.436 4.800 -5.318 1.00 0.42 C ATOM 653 O ILE A 30 -16.834 5.527 -4.408 1.00 0.45 O ATOM 654 CB ILE A 30 -14.052 4.036 -5.477 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.116 3.958 -3.957 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.641 4.396 -5.931 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.517 2.690 -3.390 1.00 0.39 C ATOM 0 H ILE A 30 -14.619 6.681 -4.754 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.169 4.940 -7.075 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.298 3.061 -5.897 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.594 4.817 -3.535 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.157 4.031 -3.641 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -11.937 3.656 -5.551 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.601 4.409 -7.020 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.375 5.381 -5.546 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.598 2.704 -2.303 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -14.054 1.827 -3.783 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.467 2.625 -3.675 1.00 0.39 H new ATOM 669 N GLN A 31 -17.127 3.761 -5.756 1.00 0.41 N ATOM 670 CA GLN A 31 -18.427 3.408 -5.196 1.00 0.44 C ATOM 671 C GLN A 31 -18.357 2.074 -4.457 1.00 0.43 C ATOM 672 O GLN A 31 -18.104 1.031 -5.061 1.00 0.42 O ATOM 673 CB GLN A 31 -19.482 3.333 -6.303 1.00 0.44 C ATOM 674 CG GLN A 31 -19.892 4.691 -6.854 1.00 0.47 C ATOM 675 CD GLN A 31 -20.865 4.580 -8.012 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.081 4.562 -7.817 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.333 4.503 -9.226 1.00 0.50 N ATOM 0 H GLN A 31 -16.810 3.142 -6.502 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.710 4.185 -4.485 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.096 2.722 -7.119 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.366 2.826 -5.916 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.346 5.280 -6.057 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.003 5.230 -7.181 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.320 4.522 -9.341 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -20.938 4.425 -10.044 1.00 0.50 H new ATOM 686 N THR A 32 -18.577 2.116 -3.146 1.00 0.45 N ATOM 687 CA THR A 32 -18.542 0.908 -2.322 1.00 0.46 C ATOM 688 C THR A 32 -19.919 0.559 -1.786 1.00 0.50 C ATOM 689 O THR A 32 -20.922 1.169 -2.158 1.00 0.53 O ATOM 690 CB THR A 32 -17.577 1.055 -1.135 1.00 0.45 C ATOM 691 OG1 THR A 32 -18.042 2.079 -0.252 1.00 0.48 O ATOM 692 CG2 THR A 32 -16.180 1.381 -1.628 1.00 0.42 C ATOM 0 H THR A 32 -18.781 2.972 -2.630 1.00 0.45 H new ATOM 0 HA THR A 32 -18.191 0.107 -2.973 1.00 0.46 H new ATOM 0 HB THR A 32 -17.541 0.110 -0.592 1.00 0.45 H new ATOM 0 HG1 THR A 32 -17.906 1.797 0.677 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.508 1.482 -0.776 1.00 0.42 H new ATOM 0 HG22 THR A 32 -15.826 0.579 -2.276 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.201 2.317 -2.187 1.00 0.42 H new ATOM 743 N VAL A 36 -19.885 6.411 -1.071 1.00 0.59 N ATOM 744 CA VAL A 36 -18.807 6.872 -1.934 1.00 0.56 C ATOM 745 C VAL A 36 -17.652 7.474 -1.131 1.00 0.55 C ATOM 746 O VAL A 36 -17.848 8.196 -0.151 1.00 0.59 O ATOM 747 CB VAL A 36 -19.315 7.865 -3.008 1.00 0.57 C ATOM 748 CG1 VAL A 36 -19.961 9.089 -2.377 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.192 8.271 -3.949 1.00 0.56 C ATOM 0 HA VAL A 36 -18.423 5.994 -2.453 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.080 7.352 -3.591 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.305 9.763 -3.161 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -20.809 8.779 -1.767 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.232 9.603 -1.751 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.576 8.969 -4.694 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.395 8.750 -3.380 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -17.799 7.386 -4.450 1.00 0.56 H new ATOM 759 N ARG A 37 -16.447 7.131 -1.566 1.00 0.52 N ATOM 760 CA ARG A 37 -15.203 7.571 -0.948 1.00 0.51 C ATOM 761 C ARG A 37 -14.213 8.017 -2.007 1.00 0.49 C ATOM 762 O ARG A 37 -14.416 7.782 -3.195 1.00 0.47 O ATOM 763 CB ARG A 37 -14.643 6.501 -0.070 1.00 0.49 C ATOM 764 CG ARG A 37 -14.705 5.098 -0.656 1.00 0.47 C ATOM 765 CD ARG A 37 -16.007 4.425 -0.271 1.00 0.52 C ATOM 766 NE ARG A 37 -15.899 3.691 0.991 1.00 0.49 N ATOM 767 CZ ARG A 37 -16.713 3.870 2.031 1.00 0.53 C ATOM 768 NH1 ARG A 37 -17.705 4.752 1.968 1.00 0.65 N ATOM 769 NH2 ARG A 37 -16.536 3.163 3.138 1.00 0.56 N ATOM 0 H ARG A 37 -16.304 6.527 -2.375 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.410 8.432 -0.313 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.603 6.741 0.153 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -15.182 6.508 0.877 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.619 5.146 -1.742 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -13.862 4.508 -0.295 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -16.791 5.177 -0.186 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.308 3.739 -1.063 1.00 0.52 H new ATOM 0 HE ARG A 37 -15.154 3.000 1.080 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -17.848 5.299 1.119 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -18.323 4.882 2.769 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -15.778 2.483 3.193 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -17.158 3.299 3.935 1.00 0.56 H new ATOM 783 N THR A 38 -13.141 8.661 -1.576 1.00 0.48 N ATOM 784 CA THR A 38 -12.157 9.192 -2.501 1.00 0.46 C ATOM 785 C THR A 38 -10.819 8.565 -2.263 1.00 0.42 C ATOM 786 O THR A 38 -10.157 8.851 -1.283 1.00 0.42 O ATOM 787 CB THR A 38 -12.011 10.712 -2.357 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.169 11.093 -0.986 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.019 11.448 -3.215 1.00 0.53 C ATOM 0 H THR A 38 -12.931 8.828 -0.592 1.00 0.48 H new ATOM 0 HA THR A 38 -12.508 8.959 -3.506 1.00 0.46 H new ATOM 0 HB THR A 38 -11.013 10.986 -2.698 1.00 0.50 H new ATOM 0 HG1 THR A 38 -12.073 12.065 -0.903 1.00 0.53 H new ATOM 0 HG21 THR A 38 -12.888 12.523 -3.089 1.00 0.53 H new ATOM 0 HG22 THR A 38 -12.868 11.184 -4.262 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.028 11.168 -2.912 1.00 0.53 H new ATOM 797 N ILE A 39 -10.410 7.724 -3.173 1.00 0.39 N ATOM 798 CA ILE A 39 -9.152 7.047 -3.024 1.00 0.35 C ATOM 799 C ILE A 39 -8.299 7.164 -4.259 1.00 0.33 C ATOM 800 O ILE A 39 -8.693 7.755 -5.261 1.00 0.36 O ATOM 801 CB ILE A 39 -9.376 5.576 -2.738 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.286 4.979 -3.788 1.00 0.33 C ATOM 803 CG2 ILE A 39 -9.979 5.410 -1.372 1.00 0.35 C ATOM 804 CD1 ILE A 39 -9.931 3.558 -4.121 1.00 0.29 C ATOM 0 H ILE A 39 -10.927 7.492 -4.021 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.635 7.524 -2.192 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.419 5.055 -2.767 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.317 5.019 -3.435 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.235 5.584 -4.693 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.138 4.351 -1.171 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.304 5.824 -0.623 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -10.933 5.935 -1.329 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.616 3.180 -4.880 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -8.910 3.518 -4.502 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -10.008 2.944 -3.224 1.00 0.29 H new ATOM 816 N SER A 40 -7.124 6.588 -4.172 1.00 0.29 N ATOM 817 CA SER A 40 -6.197 6.599 -5.272 1.00 0.28 C ATOM 818 C SER A 40 -5.230 5.451 -5.136 1.00 0.24 C ATOM 819 O SER A 40 -5.155 4.806 -4.089 1.00 0.22 O ATOM 820 CB SER A 40 -5.436 7.911 -5.312 1.00 0.30 C ATOM 821 OG SER A 40 -4.775 8.061 -6.544 1.00 0.30 O ATOM 0 H SER A 40 -6.787 6.102 -3.341 1.00 0.29 H new ATOM 0 HA SER A 40 -6.756 6.492 -6.201 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.124 8.742 -5.159 1.00 0.30 H new ATOM 0 HB3 SER A 40 -4.712 7.943 -4.498 1.00 0.30 H new ATOM 0 HG SER A 40 -4.168 8.829 -6.498 1.00 0.30 H new ATOM 827 N GLU A 41 -4.489 5.200 -6.194 1.00 0.23 N ATOM 828 CA GLU A 41 -3.537 4.128 -6.191 1.00 0.20 C ATOM 829 C GLU A 41 -2.143 4.651 -6.512 1.00 0.20 C ATOM 830 O GLU A 41 -1.974 5.526 -7.361 1.00 0.24 O ATOM 831 CB GLU A 41 -3.978 3.077 -7.204 1.00 0.21 C ATOM 832 CG GLU A 41 -3.523 1.664 -6.877 1.00 0.21 C ATOM 833 CD GLU A 41 -2.776 1.004 -8.019 1.00 0.35 C ATOM 834 OE1 GLU A 41 -3.218 1.138 -9.180 1.00 0.48 O ATOM 835 OE2 GLU A 41 -1.748 0.349 -7.751 1.00 0.53 O ATOM 0 H GLU A 41 -4.533 5.729 -7.065 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.494 3.674 -5.201 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.066 3.089 -7.273 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -3.594 3.352 -8.186 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -2.881 1.689 -5.997 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.392 1.058 -6.620 1.00 0.21 H new ATOM 842 N ALA A 42 -1.149 4.117 -5.814 1.00 0.17 N ATOM 843 CA ALA A 42 0.231 4.534 -6.007 1.00 0.18 C ATOM 844 C ALA A 42 1.185 3.380 -5.742 1.00 0.17 C ATOM 845 O ALA A 42 1.096 2.717 -4.716 1.00 0.15 O ATOM 846 CB ALA A 42 0.547 5.706 -5.097 1.00 0.20 C ATOM 0 H ALA A 42 -1.275 3.392 -5.107 1.00 0.17 H new ATOM 0 HA ALA A 42 0.360 4.846 -7.043 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.582 6.014 -5.246 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.116 6.538 -5.332 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.403 5.409 -4.058 1.00 0.20 H new ATOM 852 N ILE A 43 2.095 3.143 -6.674 1.00 0.19 N ATOM 853 CA ILE A 43 3.064 2.059 -6.543 1.00 0.20 C ATOM 854 C ILE A 43 4.288 2.471 -5.724 1.00 0.21 C ATOM 855 O ILE A 43 4.843 3.537 -5.916 1.00 0.23 O ATOM 856 CB ILE A 43 3.534 1.561 -7.933 1.00 0.23 C ATOM 857 CG1 ILE A 43 2.331 1.229 -8.821 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.445 0.346 -7.803 1.00 0.25 C ATOM 859 CD1 ILE A 43 1.336 0.292 -8.173 1.00 0.21 C ATOM 0 H ILE A 43 2.185 3.687 -7.532 1.00 0.19 H new ATOM 0 HA ILE A 43 2.551 1.254 -6.017 1.00 0.20 H new ATOM 0 HB ILE A 43 4.104 2.364 -8.400 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.823 2.155 -9.090 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.688 0.781 -9.748 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.759 0.019 -8.794 1.00 0.25 H new ATOM 0 HG22 ILE A 43 5.323 0.611 -7.213 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.906 -0.462 -7.308 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.512 0.103 -8.861 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.828 -0.649 -7.929 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.949 0.746 -7.261 1.00 0.21 H new ATOM 871 N VAL A 44 4.613 1.640 -4.747 1.00 0.19 N ATOM 872 CA VAL A 44 5.780 1.780 -3.881 1.00 0.20 C ATOM 873 C VAL A 44 6.509 0.477 -3.811 1.00 0.22 C ATOM 874 O VAL A 44 6.016 -0.575 -4.218 1.00 0.23 O ATOM 875 CB VAL A 44 5.352 2.025 -2.399 1.00 0.21 C ATOM 876 CG1 VAL A 44 5.041 3.456 -2.113 1.00 0.27 C ATOM 877 CG2 VAL A 44 4.051 1.407 -2.258 1.00 0.16 C ATOM 0 H VAL A 44 4.052 0.818 -4.524 1.00 0.19 H new ATOM 0 HA VAL A 44 6.372 2.600 -4.288 1.00 0.20 H new ATOM 0 HB VAL A 44 6.158 1.662 -1.761 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.750 3.563 -1.068 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.923 4.066 -2.309 1.00 0.27 H new ATOM 0 HG13 VAL A 44 4.223 3.785 -2.753 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.692 1.543 -1.238 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.351 1.870 -2.954 1.00 0.16 H new ATOM 0 HG23 VAL A 44 4.129 0.342 -2.476 1.00 0.16 H new ATOM 887 N GLY A 45 7.672 0.581 -3.274 1.00 0.24 N ATOM 888 CA GLY A 45 8.442 -0.605 -2.938 1.00 0.26 C ATOM 889 C GLY A 45 9.846 -0.284 -2.461 1.00 0.29 C ATOM 890 O GLY A 45 10.294 0.859 -2.548 1.00 0.29 O ATOM 0 H GLY A 45 8.127 1.466 -3.051 1.00 0.24 H new ATOM 0 HA2 GLY A 45 7.919 -1.163 -2.161 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.500 -1.253 -3.812 1.00 0.26 H new ATOM 894 N ASP A 46 10.538 -1.302 -1.959 1.00 0.31 N ATOM 895 CA ASP A 46 11.900 -1.136 -1.463 1.00 0.34 C ATOM 896 C ASP A 46 12.834 -2.151 -2.110 1.00 0.38 C ATOM 897 O ASP A 46 12.496 -2.765 -3.120 1.00 0.39 O ATOM 898 CB ASP A 46 11.936 -1.285 0.060 1.00 0.33 C ATOM 899 CG ASP A 46 11.363 -2.609 0.530 1.00 0.34 C ATOM 900 OD1 ASP A 46 10.986 -3.435 -0.327 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.292 -2.820 1.760 1.00 0.34 O ATOM 0 H ASP A 46 10.177 -2.253 -1.885 1.00 0.31 H new ATOM 0 HA ASP A 46 12.239 -0.134 -1.726 1.00 0.34 H new ATOM 0 HB2 ASP A 46 12.966 -1.196 0.406 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.375 -0.469 0.515 1.00 0.33 H new ATOM 906 N GLU A 47 14.012 -2.328 -1.516 1.00 0.40 N ATOM 907 CA GLU A 47 14.997 -3.267 -2.039 1.00 0.44 C ATOM 908 C GLU A 47 14.622 -4.710 -1.708 1.00 0.45 C ATOM 909 O GLU A 47 15.354 -5.641 -2.042 1.00 0.49 O ATOM 910 CB GLU A 47 16.383 -2.950 -1.476 1.00 0.46 C ATOM 911 CG GLU A 47 16.396 -2.731 0.030 1.00 0.45 C ATOM 912 CD GLU A 47 17.506 -3.498 0.722 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.613 -4.721 0.493 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.267 -2.876 1.492 1.00 0.49 O ATOM 0 H GLU A 47 14.306 -1.834 -0.674 1.00 0.40 H new ATOM 0 HA GLU A 47 15.014 -3.160 -3.124 1.00 0.44 H new ATOM 0 HB2 GLU A 47 17.061 -3.768 -1.721 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.770 -2.057 -1.967 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.511 -1.667 0.238 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.435 -3.035 0.446 1.00 0.45 H new ATOM 921 N THR A 48 13.480 -4.892 -1.049 1.00 0.43 N ATOM 922 CA THR A 48 13.023 -6.224 -0.671 1.00 0.44 C ATOM 923 C THR A 48 11.856 -6.690 -1.539 1.00 0.43 C ATOM 924 O THR A 48 11.321 -7.779 -1.335 1.00 0.44 O ATOM 925 CB THR A 48 12.598 -6.266 0.805 1.00 0.43 C ATOM 926 OG1 THR A 48 11.260 -5.778 0.945 1.00 0.39 O ATOM 927 CG2 THR A 48 13.539 -5.426 1.653 1.00 0.43 C ATOM 0 H THR A 48 12.857 -4.135 -0.767 1.00 0.43 H new ATOM 0 HA THR A 48 13.866 -6.898 -0.825 1.00 0.44 H new ATOM 0 HB THR A 48 12.642 -7.300 1.147 1.00 0.43 H new ATOM 0 HG1 THR A 48 11.108 -5.051 0.305 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.224 -5.467 2.696 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.553 -5.815 1.565 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.516 -4.393 1.307 1.00 0.43 H new ATOM 935 N GLY A 49 11.466 -5.864 -2.505 1.00 0.41 N ATOM 936 CA GLY A 49 10.366 -6.225 -3.382 1.00 0.41 C ATOM 937 C GLY A 49 9.523 -5.034 -3.793 1.00 0.37 C ATOM 938 O GLY A 49 10.036 -3.926 -3.949 1.00 0.36 O ATOM 0 H GLY A 49 11.889 -4.956 -2.696 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.763 -6.708 -4.275 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.732 -6.956 -2.880 1.00 0.41 H new ATOM 942 N ARG A 50 8.241 -5.288 -4.009 1.00 0.35 N ATOM 943 CA ARG A 50 7.318 -4.270 -4.431 1.00 0.31 C ATOM 944 C ARG A 50 5.896 -4.666 -4.070 1.00 0.29 C ATOM 945 O ARG A 50 5.520 -5.833 -4.147 1.00 0.31 O ATOM 946 CB ARG A 50 7.424 -4.065 -5.934 1.00 0.33 C ATOM 947 CG ARG A 50 6.417 -3.075 -6.460 1.00 0.30 C ATOM 948 CD ARG A 50 6.008 -3.404 -7.881 1.00 0.32 C ATOM 949 NE ARG A 50 6.986 -2.947 -8.860 1.00 0.36 N ATOM 950 CZ ARG A 50 6.685 -2.603 -10.110 1.00 0.38 C ATOM 951 NH1 ARG A 50 5.428 -2.651 -10.533 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.644 -2.206 -10.937 1.00 0.42 N ATOM 0 H ARG A 50 7.820 -6.210 -3.894 1.00 0.35 H new ATOM 0 HA ARG A 50 7.568 -3.340 -3.921 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.428 -3.720 -6.179 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.284 -5.022 -6.438 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.536 -3.073 -5.818 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.839 -2.071 -6.425 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.877 -4.482 -7.978 1.00 0.32 H new ATOM 0 HD3 ARG A 50 5.043 -2.945 -8.094 1.00 0.32 H new ATOM 0 HE ARG A 50 7.962 -2.887 -8.569 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.688 -2.952 -9.899 1.00 0.38 H new ATOM 0 HH12 ARG A 50 5.202 -2.386 -11.492 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.611 -2.165 -10.614 1.00 0.42 H new ATOM 0 HH22 ARG A 50 7.414 -1.942 -11.895 1.00 0.42 H new ATOM 966 N VAL A 51 5.121 -3.676 -3.692 1.00 0.25 N ATOM 967 CA VAL A 51 3.738 -3.872 -3.307 1.00 0.23 C ATOM 968 C VAL A 51 2.888 -2.643 -3.657 1.00 0.19 C ATOM 969 O VAL A 51 3.300 -1.506 -3.433 1.00 0.18 O ATOM 970 CB VAL A 51 3.633 -4.171 -1.796 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.345 -3.106 -0.974 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.185 -4.276 -1.387 1.00 0.21 C ATOM 0 H VAL A 51 5.432 -2.706 -3.642 1.00 0.25 H new ATOM 0 HA VAL A 51 3.355 -4.726 -3.865 1.00 0.23 H new ATOM 0 HB VAL A 51 4.124 -5.125 -1.602 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.254 -3.343 0.086 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.399 -3.077 -1.250 1.00 0.22 H new ATOM 0 HG13 VAL A 51 3.892 -2.134 -1.168 1.00 0.22 H new ATOM 0 HG21 VAL A 51 2.123 -4.487 -0.319 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.677 -3.336 -1.601 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.707 -5.081 -1.945 1.00 0.21 H new ATOM 982 N LYS A 52 1.709 -2.886 -4.232 1.00 0.18 N ATOM 983 CA LYS A 52 0.791 -1.806 -4.609 1.00 0.15 C ATOM 984 C LYS A 52 0.222 -1.094 -3.370 1.00 0.13 C ATOM 985 O LYS A 52 -0.243 -1.744 -2.435 1.00 0.14 O ATOM 986 CB LYS A 52 -0.362 -2.365 -5.456 1.00 0.16 C ATOM 987 CG LYS A 52 0.048 -3.509 -6.379 1.00 0.21 C ATOM 988 CD LYS A 52 0.033 -3.099 -7.843 1.00 0.23 C ATOM 989 CE LYS A 52 0.679 -4.155 -8.729 1.00 0.29 C ATOM 990 NZ LYS A 52 -0.046 -5.457 -8.660 1.00 0.28 N ATOM 0 H LYS A 52 1.366 -3.822 -4.448 1.00 0.18 H new ATOM 0 HA LYS A 52 1.356 -1.079 -5.192 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.153 -2.713 -4.791 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.782 -1.559 -6.057 1.00 0.16 H new ATOM 0 HG2 LYS A 52 1.047 -3.851 -6.109 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.628 -4.352 -6.232 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -0.995 -2.934 -8.164 1.00 0.23 H new ATOM 0 HD3 LYS A 52 0.560 -2.152 -7.961 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.696 -3.803 -9.760 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.716 -4.300 -8.425 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.350 -6.113 -9.363 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.060 -5.864 -7.709 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -1.055 -5.304 -8.860 1.00 0.28 H new ATOM 1004 N LEU A 53 0.267 0.245 -3.371 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.250 1.043 -2.255 1.00 0.12 C ATOM 1006 C LEU A 53 -1.586 1.695 -2.622 1.00 0.13 C ATOM 1007 O LEU A 53 -1.764 2.222 -3.717 1.00 0.13 O ATOM 1008 CB LEU A 53 0.771 2.120 -1.851 1.00 0.13 C ATOM 1009 CG LEU A 53 0.609 2.744 -0.452 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.486 3.800 -0.434 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.327 1.676 0.586 1.00 0.17 C ATOM 0 H LEU A 53 0.657 0.798 -4.134 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.415 0.376 -1.409 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.768 1.683 -1.914 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.727 2.922 -2.587 1.00 0.13 H new ATOM 0 HG LEU A 53 1.551 3.233 -0.203 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.572 4.218 0.569 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.237 4.594 -1.138 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.435 3.345 -0.720 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.217 2.141 1.566 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.593 1.151 0.328 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.154 0.967 0.612 1.00 0.17 H new ATOM 1023 N THR A 54 -2.514 1.639 -1.680 1.00 0.16 N ATOM 1024 CA THR A 54 -3.843 2.203 -1.848 1.00 0.18 C ATOM 1025 C THR A 54 -4.181 3.165 -0.729 1.00 0.22 C ATOM 1026 O THR A 54 -4.411 2.767 0.401 1.00 0.25 O ATOM 1027 CB THR A 54 -4.957 1.155 -1.900 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.512 -0.029 -2.573 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.140 1.755 -2.629 1.00 0.23 C ATOM 0 H THR A 54 -2.365 1.198 -0.772 1.00 0.16 H new ATOM 0 HA THR A 54 -3.800 2.715 -2.809 1.00 0.18 H new ATOM 0 HB THR A 54 -5.241 0.873 -0.886 1.00 0.21 H new ATOM 0 HG1 THR A 54 -5.288 -0.544 -2.877 1.00 0.22 H new ATOM 0 HG21 THR A 54 -6.947 1.024 -2.677 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.485 2.641 -2.096 1.00 0.23 H new ATOM 0 HG23 THR A 54 -5.842 2.033 -3.640 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.245 4.417 -1.067 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.565 5.464 -0.127 1.00 0.26 C ATOM 1039 C LEU A 55 -6.074 5.561 0.069 1.00 0.28 C ATOM 1040 O LEU A 55 -6.837 5.148 -0.803 1.00 0.28 O ATOM 1041 CB LEU A 55 -4.028 6.749 -0.688 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.712 6.587 -1.448 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -2.867 7.074 -2.862 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.583 7.322 -0.761 1.00 0.25 C ATOM 0 H LEU A 55 -4.075 4.751 -2.015 1.00 0.22 H new ATOM 0 HA LEU A 55 -4.120 5.254 0.846 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -4.772 7.182 -1.357 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -3.881 7.457 0.127 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.460 5.527 -1.461 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -1.923 6.954 -3.394 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.642 6.495 -3.363 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.148 8.127 -2.855 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.662 7.186 -1.328 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -1.821 8.384 -0.705 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.451 6.927 0.246 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.510 6.117 1.199 1.00 0.32 N ATOM 1057 CA TRP A 56 -7.939 6.211 1.478 1.00 0.36 C ATOM 1058 C TRP A 56 -8.389 7.595 1.953 1.00 0.40 C ATOM 1059 O TRP A 56 -7.891 8.131 2.944 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.316 5.133 2.489 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.428 3.785 1.844 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.442 2.838 1.764 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.574 3.239 1.162 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -7.890 1.750 1.063 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -9.206 1.968 0.692 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -10.868 3.701 0.900 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -10.083 1.166 -0.026 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.728 2.901 0.187 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.334 1.651 -0.271 1.00 0.34 C ATOM 0 H TRP A 56 -5.905 6.503 1.924 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.466 6.051 0.537 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.567 5.097 3.280 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -9.264 5.391 2.960 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.455 2.935 2.191 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.344 0.916 0.849 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -11.186 4.671 1.253 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -9.784 0.190 -0.379 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.728 3.251 -0.021 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -12.033 1.050 -0.833 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.346 8.149 1.202 1.00 0.42 N ATOM 1081 CA GLY A 57 -9.937 9.451 1.498 1.00 0.47 C ATOM 1082 C GLY A 57 -8.997 10.631 1.281 1.00 0.47 C ATOM 1083 O GLY A 57 -8.840 11.094 0.153 1.00 0.46 O ATOM 0 H GLY A 57 -9.732 7.703 0.370 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -10.821 9.586 0.874 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -10.275 9.456 2.534 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.375 11.130 2.352 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.472 12.282 2.238 1.00 0.50 C ATOM 1089 C LYS A 58 -6.069 11.880 1.784 1.00 0.46 C ATOM 1090 O LYS A 58 -5.358 12.692 1.200 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.417 13.083 3.550 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.569 12.243 4.808 1.00 0.54 C ATOM 1093 CD LYS A 58 -6.306 11.459 5.108 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.625 10.089 5.670 1.00 0.49 C ATOM 1095 NZ LYS A 58 -7.004 10.151 7.108 1.00 0.55 N ATOM 0 H LYS A 58 -8.477 10.761 3.298 1.00 0.49 H new ATOM 0 HA LYS A 58 -7.886 12.927 1.463 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.467 13.615 3.596 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -8.204 13.837 3.534 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -7.806 12.890 5.652 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -8.406 11.555 4.689 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -5.718 11.352 4.197 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -5.693 12.012 5.820 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.440 9.644 5.099 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -5.759 9.438 5.551 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -7.214 9.193 7.453 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -6.217 10.552 7.657 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -7.846 10.752 7.220 1.00 0.55 H new ATOM 1109 N HIS A 59 -5.677 10.632 2.050 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.380 10.122 1.620 1.00 0.39 C ATOM 1111 C HIS A 59 -4.348 9.971 0.105 1.00 0.36 C ATOM 1112 O HIS A 59 -3.279 9.957 -0.509 1.00 0.34 O ATOM 1113 CB HIS A 59 -4.097 8.770 2.278 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.551 8.876 3.668 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -2.425 9.607 3.982 1.00 0.38 N ATOM 1116 CD2 HIS A 59 -3.984 8.335 4.829 1.00 0.39 C ATOM 1117 CE1 HIS A 59 -2.187 9.507 5.280 1.00 0.40 C ATOM 1118 NE2 HIS A 59 -3.120 8.742 5.814 1.00 0.41 N ATOM 0 H HIS A 59 -6.244 9.957 2.563 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.612 10.834 1.923 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -5.019 8.189 2.303 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.389 8.217 1.661 1.00 0.36 H new ATOM 0 HD2 HIS A 59 -4.849 7.701 4.957 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -1.369 9.972 5.811 1.00 0.40 H new ATOM 0 HE2 HIS A 59 -3.188 8.493 6.801 1.00 0.41 H new ATOM 1126 N ALA A 60 -5.531 9.861 -0.489 1.00 0.37 N ATOM 1127 CA ALA A 60 -5.663 9.703 -1.930 1.00 0.36 C ATOM 1128 C ALA A 60 -4.997 10.845 -2.688 1.00 0.37 C ATOM 1129 O ALA A 60 -5.327 12.013 -2.488 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.132 9.605 -2.308 1.00 0.38 C ATOM 0 H ALA A 60 -6.419 9.879 0.012 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.154 8.782 -2.213 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.223 9.487 -3.388 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.579 8.745 -1.810 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -7.649 10.513 -1.998 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.057 10.494 -3.562 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.356 11.495 -4.350 1.00 0.37 C ATOM 1138 C GLY A 61 -2.648 12.537 -3.501 1.00 0.39 C ATOM 1139 O GLY A 61 -2.135 13.526 -4.025 1.00 0.41 O ATOM 0 H GLY A 61 -3.767 9.532 -3.739 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -2.625 10.999 -4.989 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.068 11.994 -5.008 1.00 0.37 H new ATOM 1143 N SER A 62 -2.615 12.318 -2.190 1.00 0.39 N ATOM 1144 CA SER A 62 -1.967 13.253 -1.276 1.00 0.41 C ATOM 1145 C SER A 62 -0.470 12.985 -1.184 1.00 0.39 C ATOM 1146 O SER A 62 0.297 13.847 -0.750 1.00 0.41 O ATOM 1147 CB SER A 62 -2.599 13.161 0.113 1.00 0.42 C ATOM 1148 OG SER A 62 -1.798 13.816 1.082 1.00 0.44 O ATOM 0 H SER A 62 -3.029 11.503 -1.737 1.00 0.39 H new ATOM 0 HA SER A 62 -2.111 14.259 -1.669 1.00 0.41 H new ATOM 0 HB2 SER A 62 -3.592 13.609 0.094 1.00 0.42 H new ATOM 0 HB3 SER A 62 -2.727 12.114 0.389 1.00 0.42 H new ATOM 0 HG SER A 62 -2.224 13.744 1.961 1.00 0.44 H new ATOM 1154 N ILE A 63 -0.054 11.790 -1.591 1.00 0.35 N ATOM 1155 CA ILE A 63 1.354 11.418 -1.544 1.00 0.33 C ATOM 1156 C ILE A 63 2.147 12.084 -2.661 1.00 0.35 C ATOM 1157 O ILE A 63 1.582 12.708 -3.560 1.00 0.37 O ATOM 1158 CB ILE A 63 1.545 9.892 -1.630 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.686 9.309 -2.749 1.00 0.28 C ATOM 1160 CG2 ILE A 63 1.204 9.241 -0.298 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.494 8.684 -3.865 1.00 0.26 C ATOM 0 H ILE A 63 -0.671 11.065 -1.956 1.00 0.35 H new ATOM 0 HA ILE A 63 1.731 11.767 -0.582 1.00 0.33 H new ATOM 0 HB ILE A 63 2.591 9.684 -1.858 1.00 0.29 H new ATOM 0 HG12 ILE A 63 0.018 8.557 -2.329 1.00 0.28 H new ATOM 0 HG13 ILE A 63 0.058 10.098 -3.163 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.344 8.163 -0.374 1.00 0.28 H new ATOM 0 HG22 ILE A 63 1.858 9.638 0.479 1.00 0.28 H new ATOM 0 HG23 ILE A 63 0.166 9.455 -0.043 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.820 8.290 -4.626 1.00 0.26 H new ATOM 0 HD12 ILE A 63 2.143 9.438 -4.311 1.00 0.26 H new ATOM 0 HD13 ILE A 63 2.102 7.873 -3.464 1.00 0.26 H new ATOM 1173 N LYS A 64 3.464 11.941 -2.587 1.00 0.34 N ATOM 1174 CA LYS A 64 4.372 12.524 -3.563 1.00 0.36 C ATOM 1175 C LYS A 64 4.875 11.474 -4.548 1.00 0.34 C ATOM 1176 O LYS A 64 4.419 10.332 -4.551 1.00 0.31 O ATOM 1177 CB LYS A 64 5.554 13.187 -2.854 1.00 0.38 C ATOM 1178 CG LYS A 64 5.400 14.690 -2.689 1.00 0.41 C ATOM 1179 CD LYS A 64 6.694 15.333 -2.214 1.00 0.43 C ATOM 1180 CE LYS A 64 6.425 16.570 -1.372 1.00 0.46 C ATOM 1181 NZ LYS A 64 7.647 17.032 -0.656 1.00 0.47 N ATOM 0 H LYS A 64 3.932 11.417 -1.848 1.00 0.34 H new ATOM 0 HA LYS A 64 3.821 13.278 -4.125 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.678 12.733 -1.871 1.00 0.38 H new ATOM 0 HB3 LYS A 64 6.465 12.983 -3.417 1.00 0.38 H new ATOM 0 HG2 LYS A 64 5.100 15.133 -3.639 1.00 0.41 H new ATOM 0 HG3 LYS A 64 4.604 14.899 -1.974 1.00 0.41 H new ATOM 0 HD2 LYS A 64 7.267 14.612 -1.631 1.00 0.43 H new ATOM 0 HD3 LYS A 64 7.305 15.604 -3.075 1.00 0.43 H new ATOM 0 HE2 LYS A 64 6.055 17.371 -2.012 1.00 0.46 H new ATOM 0 HE3 LYS A 64 5.640 16.352 -0.647 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 7.421 17.877 -0.094 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 7.986 16.277 -0.026 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 8.388 17.265 -1.348 1.00 0.47 H new ATOM 1195 N GLU A 65 5.822 11.887 -5.376 1.00 0.36 N ATOM 1196 CA GLU A 65 6.425 11.019 -6.381 1.00 0.36 C ATOM 1197 C GLU A 65 7.641 10.348 -5.770 1.00 0.35 C ATOM 1198 O GLU A 65 7.866 10.482 -4.572 1.00 0.34 O ATOM 1199 CB GLU A 65 6.825 11.820 -7.622 1.00 0.40 C ATOM 1200 CG GLU A 65 6.043 11.440 -8.870 1.00 0.40 C ATOM 1201 CD GLU A 65 6.077 12.520 -9.931 1.00 0.44 C ATOM 1202 OE1 GLU A 65 7.176 12.808 -10.450 1.00 0.47 O ATOM 1203 OE2 GLU A 65 5.005 13.079 -10.243 1.00 0.45 O ATOM 0 H GLU A 65 6.196 12.836 -5.372 1.00 0.36 H new ATOM 0 HA GLU A 65 5.702 10.266 -6.694 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.680 12.881 -7.421 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.888 11.674 -7.811 1.00 0.40 H new ATOM 0 HG2 GLU A 65 6.451 10.517 -9.283 1.00 0.40 H new ATOM 0 HG3 GLU A 65 5.007 11.236 -8.597 1.00 0.40 H new ATOM 1210 N GLY A 66 8.405 9.616 -6.576 1.00 0.36 N ATOM 1211 CA GLY A 66 9.553 8.883 -6.060 1.00 0.35 C ATOM 1212 C GLY A 66 10.356 9.647 -5.022 1.00 0.36 C ATOM 1213 O GLY A 66 11.355 10.298 -5.331 1.00 0.39 O ATOM 0 H GLY A 66 8.251 9.516 -7.579 1.00 0.36 H new ATOM 0 HA2 GLY A 66 9.207 7.948 -5.621 1.00 0.35 H new ATOM 0 HA3 GLY A 66 10.208 8.621 -6.891 1.00 0.35 H new ATOM 1217 N GLN A 67 9.887 9.549 -3.778 1.00 0.34 N ATOM 1218 CA GLN A 67 10.515 10.184 -2.628 1.00 0.35 C ATOM 1219 C GLN A 67 10.527 9.197 -1.461 1.00 0.32 C ATOM 1220 O GLN A 67 9.764 8.232 -1.460 1.00 0.30 O ATOM 1221 CB GLN A 67 9.754 11.458 -2.240 1.00 0.36 C ATOM 1222 CG GLN A 67 8.314 11.211 -1.818 1.00 0.34 C ATOM 1223 CD GLN A 67 8.116 11.315 -0.322 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.728 12.361 0.196 1.00 0.35 O ATOM 1225 NE2 GLN A 67 8.382 10.224 0.380 1.00 0.31 N ATOM 0 H GLN A 67 9.049 9.018 -3.542 1.00 0.34 H new ATOM 0 HA GLN A 67 11.538 10.464 -2.880 1.00 0.35 H new ATOM 0 HB2 GLN A 67 10.282 11.951 -1.424 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.762 12.146 -3.086 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.665 11.931 -2.317 1.00 0.34 H new ATOM 0 HG3 GLN A 67 8.007 10.220 -2.153 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.702 9.379 -0.093 1.00 0.31 H new ATOM 0 HE22 GLN A 67 8.267 10.229 1.394 1.00 0.31 H new ATOM 1234 N VAL A 68 11.382 9.432 -0.473 1.00 0.33 N ATOM 1235 CA VAL A 68 11.460 8.531 0.676 1.00 0.31 C ATOM 1236 C VAL A 68 10.321 8.776 1.658 1.00 0.30 C ATOM 1237 O VAL A 68 10.240 9.836 2.281 1.00 0.32 O ATOM 1238 CB VAL A 68 12.795 8.667 1.426 1.00 0.33 C ATOM 1239 CG1 VAL A 68 13.025 7.451 2.311 1.00 0.32 C ATOM 1240 CG2 VAL A 68 13.947 8.854 0.449 1.00 0.36 C ATOM 0 H VAL A 68 12.023 10.225 -0.441 1.00 0.33 H new ATOM 0 HA VAL A 68 11.381 7.522 0.272 1.00 0.31 H new ATOM 0 HB VAL A 68 12.749 9.552 2.060 1.00 0.33 H new ATOM 0 HG11 VAL A 68 13.973 7.558 2.837 1.00 0.32 H new ATOM 0 HG12 VAL A 68 12.215 7.370 3.036 1.00 0.32 H new ATOM 0 HG13 VAL A 68 13.052 6.552 1.695 1.00 0.32 H new ATOM 0 HG21 VAL A 68 14.882 8.948 1.002 1.00 0.36 H new ATOM 0 HG22 VAL A 68 14.004 7.992 -0.216 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.782 9.756 -0.140 1.00 0.36 H new ATOM 1250 N VAL A 69 9.446 7.784 1.796 1.00 0.28 N ATOM 1251 CA VAL A 69 8.312 7.876 2.709 1.00 0.27 C ATOM 1252 C VAL A 69 8.390 6.794 3.773 1.00 0.27 C ATOM 1253 O VAL A 69 9.297 5.963 3.762 1.00 0.27 O ATOM 1254 CB VAL A 69 6.952 7.742 1.983 1.00 0.26 C ATOM 1255 CG1 VAL A 69 6.169 9.042 2.058 1.00 0.28 C ATOM 1256 CG2 VAL A 69 7.139 7.304 0.536 1.00 0.24 C ATOM 0 H VAL A 69 9.502 6.903 1.284 1.00 0.28 H new ATOM 0 HA VAL A 69 8.370 8.866 3.162 1.00 0.27 H new ATOM 0 HB VAL A 69 6.377 6.969 2.493 1.00 0.26 H new ATOM 0 HG11 VAL A 69 5.217 8.924 1.541 1.00 0.28 H new ATOM 0 HG12 VAL A 69 5.986 9.297 3.102 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.742 9.840 1.585 1.00 0.28 H new ATOM 0 HG21 VAL A 69 6.166 7.219 0.053 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.743 8.042 0.008 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.642 6.338 0.511 1.00 0.24 H new ATOM 1266 N LYS A 70 7.435 6.812 4.690 1.00 0.27 N ATOM 1267 CA LYS A 70 7.388 5.826 5.757 1.00 0.28 C ATOM 1268 C LYS A 70 5.952 5.404 6.027 1.00 0.28 C ATOM 1269 O LYS A 70 5.162 6.169 6.584 1.00 0.30 O ATOM 1270 CB LYS A 70 8.015 6.394 7.031 1.00 0.31 C ATOM 1271 CG LYS A 70 8.329 5.338 8.079 1.00 0.32 C ATOM 1272 CD LYS A 70 7.804 5.738 9.448 1.00 0.35 C ATOM 1273 CE LYS A 70 8.342 4.825 10.537 1.00 0.37 C ATOM 1274 NZ LYS A 70 7.792 5.172 11.877 1.00 0.40 N ATOM 0 H LYS A 70 6.682 7.499 4.716 1.00 0.27 H new ATOM 0 HA LYS A 70 7.957 4.951 5.444 1.00 0.28 H new ATOM 0 HB2 LYS A 70 8.934 6.920 6.770 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.337 7.131 7.462 1.00 0.31 H new ATOM 0 HG2 LYS A 70 7.887 4.387 7.782 1.00 0.32 H new ATOM 0 HG3 LYS A 70 9.407 5.186 8.132 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.089 6.768 9.662 1.00 0.35 H new ATOM 0 HD3 LYS A 70 6.715 5.702 9.446 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.093 3.791 10.299 1.00 0.37 H new ATOM 0 HE3 LYS A 70 9.430 4.893 10.563 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 8.184 4.526 12.591 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.051 6.150 12.116 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 6.756 5.083 11.861 1.00 0.40 H new ATOM 1288 N ILE A 71 5.617 4.182 5.629 1.00 0.26 N ATOM 1289 CA ILE A 71 4.278 3.657 5.836 1.00 0.26 C ATOM 1290 C ILE A 71 4.095 3.231 7.281 1.00 0.29 C ATOM 1291 O ILE A 71 5.014 2.703 7.906 1.00 0.30 O ATOM 1292 CB ILE A 71 3.985 2.463 4.912 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.210 2.863 3.449 1.00 0.21 C ATOM 1294 CG2 ILE A 71 2.564 1.957 5.131 1.00 0.24 C ATOM 1295 CD1 ILE A 71 3.085 3.683 2.852 1.00 0.20 C ATOM 0 H ILE A 71 6.256 3.539 5.162 1.00 0.26 H new ATOM 0 HA ILE A 71 3.577 4.456 5.596 1.00 0.26 H new ATOM 0 HB ILE A 71 4.670 1.651 5.154 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.137 3.432 3.377 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.343 1.960 2.853 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.373 1.112 4.470 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.446 1.641 6.167 1.00 0.24 H new ATOM 0 HG23 ILE A 71 1.856 2.756 4.913 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.321 3.925 1.816 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.158 3.110 2.889 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.965 4.605 3.421 1.00 0.20 H new ATOM 1307 N GLU A 72 2.904 3.464 7.808 1.00 0.31 N ATOM 1308 CA GLU A 72 2.597 3.120 9.173 1.00 0.34 C ATOM 1309 C GLU A 72 1.531 2.047 9.231 1.00 0.35 C ATOM 1310 O GLU A 72 1.070 1.540 8.208 1.00 0.33 O ATOM 1311 CB GLU A 72 2.137 4.359 9.943 1.00 0.38 C ATOM 1312 CG GLU A 72 2.700 4.445 11.353 1.00 0.41 C ATOM 1313 CD GLU A 72 1.640 4.244 12.417 1.00 0.44 C ATOM 1314 OE1 GLU A 72 0.688 5.054 12.465 1.00 0.46 O ATOM 1315 OE2 GLU A 72 1.761 3.281 13.203 1.00 0.46 O ATOM 0 H GLU A 72 2.132 3.895 7.299 1.00 0.31 H new ATOM 0 HA GLU A 72 3.503 2.731 9.637 1.00 0.34 H new ATOM 0 HB2 GLU A 72 2.431 5.250 9.389 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.048 4.360 9.995 1.00 0.38 H new ATOM 0 HG2 GLU A 72 3.480 3.693 11.475 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.171 5.418 11.494 1.00 0.41 H new ATOM 1322 N ASN A 73 1.157 1.717 10.445 1.00 0.39 N ATOM 1323 CA ASN A 73 0.150 0.711 10.719 1.00 0.40 C ATOM 1324 C ASN A 73 -1.122 0.935 9.910 1.00 0.39 C ATOM 1325 O ASN A 73 -1.920 1.818 10.227 1.00 0.41 O ATOM 1326 CB ASN A 73 -0.190 0.796 12.196 1.00 0.45 C ATOM 1327 CG ASN A 73 -0.380 -0.560 12.842 1.00 0.47 C ATOM 1328 OD1 ASN A 73 0.577 -1.314 13.024 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -1.621 -0.876 13.195 1.00 0.49 N ATOM 0 H ASN A 73 1.548 2.145 11.285 1.00 0.39 H new ATOM 0 HA ASN A 73 0.546 -0.266 10.443 1.00 0.40 H new ATOM 0 HB2 ASN A 73 0.605 1.331 12.715 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -1.101 1.381 12.320 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -1.812 -1.775 13.637 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -2.383 -0.219 13.024 1.00 0.49 H new ATOM 1336 N ALA A 74 -1.262 0.112 8.868 1.00 0.36 N ATOM 1337 CA ALA A 74 -2.434 0.147 8.027 1.00 0.35 C ATOM 1338 C ALA A 74 -3.069 -1.231 7.962 1.00 0.36 C ATOM 1339 O ALA A 74 -3.739 -1.649 8.910 1.00 0.40 O ATOM 1340 CB ALA A 74 -2.051 0.620 6.637 1.00 0.31 C ATOM 0 H ALA A 74 -0.569 -0.585 8.596 1.00 0.36 H new ATOM 0 HA ALA A 74 -3.159 0.843 8.449 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.938 0.645 6.004 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.620 1.619 6.699 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -1.319 -0.065 6.209 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.805 -1.953 6.872 1.00 0.33 N ATOM 1347 CA TRP A 75 -3.337 -3.295 6.676 1.00 0.34 C ATOM 1348 C TRP A 75 -2.973 -3.819 5.312 1.00 0.31 C ATOM 1349 O TRP A 75 -2.444 -3.096 4.467 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.857 -3.329 6.838 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.596 -2.319 6.010 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -5.938 -2.421 4.695 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -6.108 -1.057 6.453 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.624 -1.309 4.311 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.740 -0.468 5.370 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -6.088 -0.375 7.654 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -7.344 0.758 5.438 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -6.691 0.863 7.733 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -7.317 1.422 6.617 1.00 0.42 C ATOM 0 H TRP A 75 -2.219 -1.623 6.106 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.891 -3.929 7.442 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -5.215 -4.325 6.577 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -5.101 -3.167 7.888 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.701 -3.257 4.054 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -6.992 -1.136 3.376 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -5.607 -0.805 8.520 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.830 1.185 4.573 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -6.679 1.405 8.667 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.784 2.393 6.695 1.00 0.42 H new ATOM 1370 N THR A 76 -3.272 -5.085 5.109 1.00 0.32 N ATOM 1371 CA THR A 76 -2.993 -5.742 3.855 1.00 0.30 C ATOM 1372 C THR A 76 -4.205 -6.511 3.389 1.00 0.33 C ATOM 1373 O THR A 76 -4.833 -7.237 4.160 1.00 0.36 O ATOM 1374 CB THR A 76 -1.811 -6.709 3.969 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.886 -7.419 5.211 1.00 0.36 O ATOM 1376 CG2 THR A 76 -0.494 -5.967 3.877 1.00 0.29 C ATOM 0 H THR A 76 -3.713 -5.683 5.807 1.00 0.32 H new ATOM 0 HA THR A 76 -2.738 -4.964 3.135 1.00 0.30 H new ATOM 0 HB THR A 76 -1.862 -7.417 3.142 1.00 0.31 H new ATOM 0 HG1 THR A 76 -1.117 -8.021 5.291 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.330 -6.676 3.961 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.433 -5.451 2.919 1.00 0.29 H new ATOM 0 HG23 THR A 76 -0.429 -5.239 4.685 1.00 0.29 H new ATOM 1384 N THR A 77 -4.527 -6.347 2.125 1.00 0.32 N ATOM 1385 CA THR A 77 -5.669 -7.015 1.540 1.00 0.36 C ATOM 1386 C THR A 77 -5.229 -7.748 0.280 1.00 0.32 C ATOM 1387 O THR A 77 -4.558 -7.173 -0.573 1.00 0.26 O ATOM 1388 CB THR A 77 -6.780 -5.996 1.213 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.366 -5.165 0.126 1.00 0.41 O ATOM 1390 CG2 THR A 77 -7.099 -5.118 2.432 1.00 0.37 C ATOM 0 H THR A 77 -4.010 -5.752 1.478 1.00 0.32 H new ATOM 0 HA THR A 77 -6.071 -7.735 2.253 1.00 0.36 H new ATOM 0 HB THR A 77 -7.679 -6.548 0.938 1.00 0.38 H new ATOM 0 HG1 THR A 77 -5.577 -5.557 -0.304 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.885 -4.409 2.174 1.00 0.37 H new ATOM 0 HG22 THR A 77 -7.435 -5.748 3.256 1.00 0.37 H new ATOM 0 HG23 THR A 77 -6.204 -4.574 2.733 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.592 -9.015 0.161 1.00 0.38 N ATOM 1399 CA ALA A 78 -5.181 -9.800 -0.995 1.00 0.37 C ATOM 1400 C ALA A 78 -6.176 -9.698 -2.143 1.00 0.35 C ATOM 1401 O ALA A 78 -7.259 -10.281 -2.093 1.00 0.39 O ATOM 1402 CB ALA A 78 -4.976 -11.253 -0.598 1.00 0.43 C ATOM 0 H ALA A 78 -6.163 -9.518 0.840 1.00 0.38 H new ATOM 0 HA ALA A 78 -4.237 -9.387 -1.350 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -4.669 -11.829 -1.471 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -4.203 -11.315 0.168 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -5.909 -11.658 -0.206 1.00 0.43 H new ATOM 1408 N PHE A 79 -5.799 -8.952 -3.179 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.622 -8.791 -4.340 1.00 0.26 C ATOM 1410 C PHE A 79 -6.157 -9.705 -5.462 1.00 0.27 C ATOM 1411 O PHE A 79 -5.007 -9.633 -5.889 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.580 -7.344 -4.811 1.00 0.23 C ATOM 1413 CG PHE A 79 -7.815 -6.989 -5.551 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -8.968 -6.726 -4.862 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -7.836 -6.973 -6.921 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.126 -6.448 -5.521 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -8.992 -6.690 -7.592 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.146 -6.426 -6.893 1.00 0.31 C ATOM 0 H PHE A 79 -4.913 -8.449 -3.222 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.645 -9.058 -4.073 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.463 -6.682 -3.953 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.712 -7.192 -5.452 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -8.959 -6.739 -3.782 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -6.933 -7.185 -7.474 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -11.029 -6.245 -4.964 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -8.999 -6.674 -8.672 1.00 0.29 H new ATOM 0 HZ PHE A 79 -11.062 -6.203 -7.420 1.00 0.31 H new ATOM 1428 N LYS A 80 -7.063 -10.569 -5.921 1.00 0.30 N ATOM 1429 CA LYS A 80 -6.782 -11.509 -7.012 1.00 0.32 C ATOM 1430 C LYS A 80 -5.672 -12.505 -6.657 1.00 0.34 C ATOM 1431 O LYS A 80 -5.079 -13.121 -7.543 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.425 -10.746 -8.292 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.472 -9.724 -8.697 1.00 0.30 C ATOM 1434 CD LYS A 80 -8.749 -10.370 -9.207 1.00 0.33 C ATOM 1435 CE LYS A 80 -9.803 -9.314 -9.501 1.00 0.33 C ATOM 1436 NZ LYS A 80 -11.070 -9.906 -10.007 1.00 0.43 N ATOM 0 H LYS A 80 -8.010 -10.639 -5.550 1.00 0.30 H new ATOM 0 HA LYS A 80 -7.690 -12.089 -7.178 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.470 -10.240 -8.150 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -6.290 -11.459 -9.105 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -7.706 -9.090 -7.842 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -7.062 -9.076 -9.472 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -8.538 -10.942 -10.110 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -9.128 -11.073 -8.466 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -10.007 -8.745 -8.594 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -9.414 -8.611 -10.237 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -11.757 -9.148 -10.193 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -10.882 -10.427 -10.887 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.457 -10.558 -9.295 1.00 0.43 H new ATOM 1450 N GLY A 81 -5.399 -12.669 -5.362 1.00 0.35 N ATOM 1451 CA GLY A 81 -4.382 -13.612 -4.933 1.00 0.38 C ATOM 1452 C GLY A 81 -3.061 -12.954 -4.590 1.00 0.37 C ATOM 1453 O GLY A 81 -2.176 -13.597 -4.024 1.00 0.39 O ATOM 0 H GLY A 81 -5.864 -12.166 -4.606 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.746 -14.157 -4.062 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -4.220 -14.346 -5.723 1.00 0.38 H new ATOM 1457 N GLN A 82 -2.916 -11.677 -4.931 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.694 -10.946 -4.622 1.00 0.33 C ATOM 1459 C GLN A 82 -1.931 -10.041 -3.426 1.00 0.30 C ATOM 1460 O GLN A 82 -2.979 -9.407 -3.325 1.00 0.29 O ATOM 1461 CB GLN A 82 -1.212 -10.092 -5.801 1.00 0.32 C ATOM 1462 CG GLN A 82 -2.119 -10.107 -7.022 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.452 -8.706 -7.511 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.579 -8.471 -8.713 1.00 0.28 O ATOM 1465 NE2 GLN A 82 -2.609 -7.771 -6.577 1.00 0.24 N ATOM 0 H GLN A 82 -3.626 -11.130 -5.419 1.00 0.34 H new ATOM 0 HA GLN A 82 -0.923 -11.684 -4.403 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -1.102 -9.062 -5.462 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -0.222 -10.437 -6.099 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -1.635 -10.664 -7.824 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -3.042 -10.634 -6.780 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.494 -8.010 -5.592 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -2.844 -6.816 -6.846 1.00 0.24 H new ATOM 1474 N VAL A 83 -0.962 -9.975 -2.523 1.00 0.31 N ATOM 1475 CA VAL A 83 -1.098 -9.130 -1.344 1.00 0.30 C ATOM 1476 C VAL A 83 -1.014 -7.658 -1.741 1.00 0.26 C ATOM 1477 O VAL A 83 -0.369 -7.313 -2.733 1.00 0.25 O ATOM 1478 CB VAL A 83 -0.016 -9.433 -0.284 1.00 0.33 C ATOM 1479 CG1 VAL A 83 -0.386 -8.819 1.056 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.208 -10.931 -0.151 1.00 0.38 C ATOM 0 H VAL A 83 -0.083 -10.490 -2.582 1.00 0.31 H new ATOM 0 HA VAL A 83 -2.072 -9.346 -0.905 1.00 0.30 H new ATOM 0 HB VAL A 83 0.919 -8.981 -0.616 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.390 -9.045 1.787 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.479 -7.738 0.948 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -1.336 -9.232 1.396 1.00 0.32 H new ATOM 0 HG21 VAL A 83 0.974 -11.119 0.601 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.722 -11.413 0.150 1.00 0.38 H new ATOM 0 HG23 VAL A 83 0.533 -11.337 -1.109 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.655 -6.793 -0.963 1.00 0.24 N ATOM 1491 CA GLN A 84 -1.653 -5.368 -1.256 1.00 0.21 C ATOM 1492 C GLN A 84 -1.570 -4.569 0.033 1.00 0.21 C ATOM 1493 O GLN A 84 -1.726 -5.120 1.118 1.00 0.25 O ATOM 1494 CB GLN A 84 -2.904 -4.983 -2.053 1.00 0.20 C ATOM 1495 CG GLN A 84 -2.614 -4.082 -3.242 1.00 0.26 C ATOM 1496 CD GLN A 84 -3.797 -3.962 -4.183 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -3.945 -4.749 -5.119 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -4.645 -2.971 -3.940 1.00 0.37 N ATOM 0 H GLN A 84 -2.180 -7.054 -0.128 1.00 0.24 H new ATOM 0 HA GLN A 84 -0.778 -5.136 -1.864 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.393 -5.891 -2.406 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.607 -4.480 -1.389 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.337 -3.091 -2.883 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -1.757 -4.473 -3.790 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -4.483 -2.343 -3.153 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -5.459 -2.838 -4.540 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.323 -3.274 -0.093 1.00 0.19 N ATOM 1508 CA LEU A 85 -1.198 -2.404 1.068 1.00 0.20 C ATOM 1509 C LEU A 85 -2.061 -1.155 0.903 1.00 0.19 C ATOM 1510 O LEU A 85 -2.291 -0.701 -0.214 1.00 0.17 O ATOM 1511 CB LEU A 85 0.266 -2.024 1.243 1.00 0.19 C ATOM 1512 CG LEU A 85 0.779 -2.004 2.681 1.00 0.22 C ATOM 1513 CD1 LEU A 85 2.006 -2.895 2.820 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.102 -0.580 3.092 1.00 0.22 C ATOM 0 H LEU A 85 -1.205 -2.801 -0.989 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.547 -2.932 1.956 1.00 0.20 H new ATOM 0 HB2 LEU A 85 0.875 -2.723 0.670 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.420 -1.036 0.808 1.00 0.19 H new ATOM 0 HG LEU A 85 0.002 -2.391 3.340 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.359 -2.870 3.851 1.00 0.25 H new ATOM 0 HD12 LEU A 85 1.745 -3.918 2.551 1.00 0.25 H new ATOM 0 HD13 LEU A 85 2.794 -2.536 2.158 1.00 0.25 H new ATOM 0 HD21 LEU A 85 1.468 -0.572 4.119 1.00 0.22 H new ATOM 0 HD22 LEU A 85 1.868 -0.175 2.431 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.203 0.032 3.022 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.550 -0.613 2.019 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.405 0.580 1.991 1.00 0.22 C ATOM 1528 C ASN A 86 -2.978 1.552 3.047 1.00 0.24 C ATOM 1529 O ASN A 86 -2.087 1.261 3.834 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.859 0.215 2.292 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.396 -0.859 1.400 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -6.275 -0.609 0.588 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -4.873 -2.059 1.563 1.00 0.26 N ATOM 0 H ASN A 86 -2.370 -0.979 2.954 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.315 1.015 0.996 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -4.937 -0.111 3.329 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.479 1.106 2.190 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -5.201 -2.840 0.994 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -4.141 -2.206 2.258 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.570 2.733 3.031 1.00 0.26 N ATOM 1541 CA ALA A 87 -3.296 3.676 4.083 1.00 0.28 C ATOM 1542 C ALA A 87 -4.552 4.445 4.455 1.00 0.32 C ATOM 1543 O ALA A 87 -5.112 5.183 3.645 1.00 0.33 O ATOM 1544 CB ALA A 87 -2.178 4.628 3.692 1.00 0.27 C ATOM 0 H ALA A 87 -4.226 3.050 2.318 1.00 0.26 H new ATOM 0 HA ALA A 87 -2.965 3.115 4.957 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -1.994 5.328 4.507 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -1.270 4.060 3.490 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.466 5.180 2.798 1.00 0.27 H new ATOM 1550 N GLY A 88 -4.979 4.270 5.697 1.00 0.36 N ATOM 1551 CA GLY A 88 -6.151 4.955 6.186 1.00 0.40 C ATOM 1552 C GLY A 88 -5.877 5.878 7.359 1.00 0.44 C ATOM 1553 O GLY A 88 -5.001 6.737 7.294 1.00 0.43 O ATOM 0 H GLY A 88 -4.528 3.659 6.378 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.586 5.536 5.373 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.895 4.216 6.484 1.00 0.40 H new ATOM 1557 N SER A 89 -6.634 5.686 8.442 1.00 0.48 N ATOM 1558 CA SER A 89 -6.521 6.533 9.628 1.00 0.52 C ATOM 1559 C SER A 89 -5.346 6.187 10.559 1.00 0.52 C ATOM 1560 O SER A 89 -4.528 7.063 10.851 1.00 0.52 O ATOM 1561 CB SER A 89 -7.823 6.505 10.430 1.00 0.56 C ATOM 1562 OG SER A 89 -8.902 7.032 9.679 1.00 0.56 O ATOM 0 H SER A 89 -7.334 4.948 8.520 1.00 0.48 H new ATOM 0 HA SER A 89 -6.321 7.532 9.242 1.00 0.52 H new ATOM 0 HB2 SER A 89 -8.049 5.480 10.725 1.00 0.56 H new ATOM 0 HB3 SER A 89 -7.700 7.081 11.347 1.00 0.56 H new ATOM 0 HG SER A 89 -9.721 7.000 10.216 1.00 0.56 H new ATOM 1568 N LYS A 90 -5.256 4.930 11.052 1.00 0.51 N ATOM 1569 CA LYS A 90 -4.151 4.558 11.966 1.00 0.51 C ATOM 1570 C LYS A 90 -2.820 4.550 11.235 1.00 0.47 C ATOM 1571 O LYS A 90 -1.782 4.239 11.811 1.00 0.47 O ATOM 1572 CB LYS A 90 -4.350 3.195 12.678 1.00 0.53 C ATOM 1573 CG LYS A 90 -4.649 2.011 11.775 1.00 0.56 C ATOM 1574 CD LYS A 90 -6.115 1.974 11.379 1.00 0.71 C ATOM 1575 CE LYS A 90 -6.744 0.641 11.739 1.00 0.94 C ATOM 1576 NZ LYS A 90 -8.232 0.697 11.702 1.00 1.25 N ATOM 0 H LYS A 90 -5.912 4.178 10.841 1.00 0.51 H new ATOM 0 HA LYS A 90 -4.154 5.325 12.740 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -3.450 2.972 13.251 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -5.166 3.297 13.393 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -4.030 2.068 10.880 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -4.385 1.085 12.286 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -6.651 2.780 11.880 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -6.210 2.147 10.307 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -6.393 -0.124 11.047 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -6.417 0.343 12.735 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -8.621 -0.234 11.954 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -8.570 1.409 12.381 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -8.546 0.956 10.745 1.00 1.25 H new ATOM 1590 N THR A 91 -2.871 4.893 9.964 1.00 0.45 N ATOM 1591 CA THR A 91 -1.697 4.946 9.130 1.00 0.40 C ATOM 1592 C THR A 91 -1.275 6.398 8.922 1.00 0.42 C ATOM 1593 O THR A 91 -2.043 7.201 8.387 1.00 0.45 O ATOM 1594 CB THR A 91 -1.997 4.345 7.750 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.886 3.234 7.887 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.719 3.915 7.051 1.00 0.32 C ATOM 0 H THR A 91 -3.734 5.143 9.482 1.00 0.45 H new ATOM 0 HA THR A 91 -0.905 4.382 9.623 1.00 0.40 H new ATOM 0 HB THR A 91 -2.472 5.111 7.137 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.704 2.772 8.732 1.00 0.36 H new ATOM 0 HG21 THR A 91 -0.962 3.493 6.076 1.00 0.32 H new ATOM 0 HG22 THR A 91 -0.067 4.779 6.920 1.00 0.32 H new ATOM 0 HG23 THR A 91 -0.209 3.164 7.654 1.00 0.32 H new ATOM 1604 N LYS A 92 -0.073 6.738 9.346 1.00 0.41 N ATOM 1605 CA LYS A 92 0.431 8.094 9.176 1.00 0.42 C ATOM 1606 C LYS A 92 1.595 8.092 8.201 1.00 0.39 C ATOM 1607 O LYS A 92 2.670 7.576 8.513 1.00 0.37 O ATOM 1608 CB LYS A 92 0.872 8.676 10.522 1.00 0.46 C ATOM 1609 CG LYS A 92 -0.062 9.747 11.065 1.00 0.51 C ATOM 1610 CD LYS A 92 -1.405 9.167 11.483 1.00 0.55 C ATOM 1611 CE LYS A 92 -2.337 10.253 11.994 1.00 0.60 C ATOM 1612 NZ LYS A 92 -3.636 9.698 12.462 1.00 0.67 N ATOM 0 H LYS A 92 0.573 6.099 9.809 1.00 0.41 H new ATOM 0 HA LYS A 92 -0.369 8.717 8.777 1.00 0.42 H new ATOM 0 HB2 LYS A 92 0.945 7.868 11.250 1.00 0.46 H new ATOM 0 HB3 LYS A 92 1.871 9.099 10.414 1.00 0.46 H new ATOM 0 HG2 LYS A 92 0.404 10.236 11.920 1.00 0.51 H new ATOM 0 HG3 LYS A 92 -0.218 10.513 10.305 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -1.865 8.659 10.635 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -1.255 8.418 12.260 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -1.856 10.788 12.812 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -2.517 10.979 11.201 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -4.380 10.416 12.352 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.878 8.859 11.898 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -3.558 9.431 13.464 1.00 0.67 H new ATOM 1626 N ILE A 93 1.390 8.655 7.010 1.00 0.37 N ATOM 1627 CA ILE A 93 2.458 8.681 6.017 1.00 0.35 C ATOM 1628 C ILE A 93 3.245 9.984 6.094 1.00 0.37 C ATOM 1629 O ILE A 93 2.675 11.049 6.329 1.00 0.40 O ATOM 1630 CB ILE A 93 1.915 8.515 4.584 1.00 0.32 C ATOM 1631 CG1 ILE A 93 0.768 7.501 4.558 1.00 0.31 C ATOM 1632 CG2 ILE A 93 3.033 8.087 3.646 1.00 0.29 C ATOM 1633 CD1 ILE A 93 0.094 7.382 3.207 1.00 0.29 C ATOM 0 H ILE A 93 0.515 9.089 6.716 1.00 0.37 H new ATOM 0 HA ILE A 93 3.113 7.840 6.246 1.00 0.35 H new ATOM 0 HB ILE A 93 1.526 9.475 4.244 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.152 6.524 4.851 1.00 0.31 H new ATOM 0 HG13 ILE A 93 0.024 7.787 5.302 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.637 7.973 2.637 1.00 0.29 H new ATOM 0 HG22 ILE A 93 3.817 8.844 3.645 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.447 7.137 3.983 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.708 6.646 3.264 1.00 0.29 H new ATOM 0 HD12 ILE A 93 -0.320 8.349 2.921 1.00 0.29 H new ATOM 0 HD13 ILE A 93 0.825 7.065 2.463 1.00 0.29 H new ATOM 1645 N ALA A 94 4.557 9.892 5.897 1.00 0.36 N ATOM 1646 CA ALA A 94 5.415 11.069 5.944 1.00 0.38 C ATOM 1647 C ALA A 94 6.780 10.786 5.328 1.00 0.36 C ATOM 1648 O ALA A 94 7.253 9.650 5.336 1.00 0.34 O ATOM 1649 CB ALA A 94 5.572 11.556 7.378 1.00 0.41 C ATOM 0 H ALA A 94 5.046 9.018 5.704 1.00 0.36 H new ATOM 0 HA ALA A 94 4.938 11.853 5.356 1.00 0.38 H new ATOM 0 HB1 ALA A 94 6.216 12.435 7.395 1.00 0.41 H new ATOM 0 HB2 ALA A 94 4.594 11.814 7.784 1.00 0.41 H new ATOM 0 HB3 ALA A 94 6.019 10.767 7.983 1.00 0.41 H new ATOM 1655 N GLU A 95 7.407 11.832 4.796 1.00 0.38 N ATOM 1656 CA GLU A 95 8.721 11.704 4.173 1.00 0.37 C ATOM 1657 C GLU A 95 9.781 11.350 5.211 1.00 0.37 C ATOM 1658 O GLU A 95 9.831 11.943 6.287 1.00 0.40 O ATOM 1659 CB GLU A 95 9.099 13.004 3.462 1.00 0.39 C ATOM 1660 CG GLU A 95 7.994 13.559 2.579 1.00 0.40 C ATOM 1661 CD GLU A 95 7.335 14.789 3.173 1.00 0.44 C ATOM 1662 OE1 GLU A 95 7.971 15.863 3.170 1.00 0.46 O ATOM 1663 OE2 GLU A 95 6.182 14.675 3.642 1.00 0.44 O ATOM 0 H GLU A 95 7.026 12.778 4.784 1.00 0.38 H new ATOM 0 HA GLU A 95 8.673 10.899 3.440 1.00 0.37 H new ATOM 0 HB2 GLU A 95 9.366 13.752 4.209 1.00 0.39 H new ATOM 0 HB3 GLU A 95 9.986 12.830 2.853 1.00 0.39 H new ATOM 0 HG2 GLU A 95 8.406 13.809 1.601 1.00 0.40 H new ATOM 0 HG3 GLU A 95 7.240 12.788 2.420 1.00 0.40 H new ATOM 1670 N ALA A 96 10.624 10.379 4.878 1.00 0.36 N ATOM 1671 CA ALA A 96 11.684 9.943 5.780 1.00 0.36 C ATOM 1672 C ALA A 96 13.050 10.046 5.112 1.00 0.37 C ATOM 1673 O ALA A 96 13.207 9.708 3.940 1.00 0.36 O ATOM 1674 CB ALA A 96 11.428 8.516 6.239 1.00 0.34 C ATOM 0 H ALA A 96 10.594 9.879 3.990 1.00 0.36 H new ATOM 0 HA ALA A 96 11.683 10.601 6.649 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.226 8.202 6.912 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.473 8.468 6.761 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.402 7.854 5.373 1.00 0.34 H new ATOM 1680 N SER A 97 14.039 10.521 5.866 1.00 0.39 N ATOM 1681 CA SER A 97 15.395 10.668 5.344 1.00 0.40 C ATOM 1682 C SER A 97 16.336 9.651 5.983 1.00 0.41 C ATOM 1683 O SER A 97 16.445 9.577 7.207 1.00 0.41 O ATOM 1684 CB SER A 97 15.910 12.086 5.595 1.00 0.43 C ATOM 1685 OG SER A 97 15.727 12.463 6.949 1.00 0.44 O ATOM 0 H SER A 97 13.927 10.810 6.838 1.00 0.39 H new ATOM 0 HA SER A 97 15.366 10.485 4.270 1.00 0.40 H new ATOM 0 HB2 SER A 97 16.968 12.143 5.338 1.00 0.43 H new ATOM 0 HB3 SER A 97 15.386 12.787 4.945 1.00 0.43 H new ATOM 0 HG SER A 97 15.743 11.664 7.516 1.00 0.44 H new ATOM 1691 N GLU A 98 17.014 8.871 5.146 1.00 0.41 N ATOM 1692 CA GLU A 98 17.947 7.861 5.630 1.00 0.41 C ATOM 1693 C GLU A 98 19.300 7.997 4.937 1.00 0.44 C ATOM 1694 O GLU A 98 19.668 9.083 4.487 1.00 0.45 O ATOM 1695 CB GLU A 98 17.374 6.459 5.401 1.00 0.40 C ATOM 1696 CG GLU A 98 16.128 6.171 6.221 1.00 0.38 C ATOM 1697 CD GLU A 98 16.429 5.383 7.480 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.218 4.418 7.403 1.00 0.40 O ATOM 1699 OE2 GLU A 98 15.875 5.732 8.546 1.00 0.39 O ATOM 0 H GLU A 98 16.934 8.920 4.130 1.00 0.41 H new ATOM 0 HA GLU A 98 18.093 8.013 6.699 1.00 0.41 H new ATOM 0 HB2 GLU A 98 17.139 6.340 4.343 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.137 5.719 5.643 1.00 0.40 H new ATOM 0 HG2 GLU A 98 15.650 7.112 6.491 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.416 5.616 5.611 1.00 0.38 H new ATOM 1706 N ASP A 99 20.039 6.895 4.859 1.00 0.45 N ATOM 1707 CA ASP A 99 21.352 6.896 4.221 1.00 0.47 C ATOM 1708 C ASP A 99 21.222 6.791 2.704 1.00 0.48 C ATOM 1709 O ASP A 99 22.192 6.479 2.011 1.00 0.50 O ATOM 1710 CB ASP A 99 22.201 5.741 4.753 1.00 0.49 C ATOM 1711 CG ASP A 99 22.818 6.053 6.101 1.00 0.50 C ATOM 1712 OD1 ASP A 99 22.057 6.281 7.064 1.00 0.49 O ATOM 1713 OD2 ASP A 99 24.064 6.069 6.195 1.00 0.52 O ATOM 0 H ASP A 99 19.751 5.989 5.230 1.00 0.45 H new ATOM 0 HA ASP A 99 21.843 7.839 4.460 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.583 4.847 4.837 1.00 0.49 H new ATOM 0 HB3 ASP A 99 22.992 5.515 4.038 1.00 0.49 H new ATOM 1718 N GLY A 100 20.023 7.053 2.195 1.00 0.45 N ATOM 1719 CA GLY A 100 19.792 6.984 0.763 1.00 0.46 C ATOM 1720 C GLY A 100 19.063 5.720 0.351 1.00 0.44 C ATOM 1721 O GLY A 100 19.689 4.741 -0.058 1.00 0.46 O ATOM 0 H GLY A 100 19.206 7.312 2.748 1.00 0.45 H new ATOM 0 HA2 GLY A 100 19.212 7.852 0.450 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.748 7.034 0.242 1.00 0.46 H new ATOM 1725 N PHE A 101 17.737 5.741 0.460 1.00 0.41 N ATOM 1726 CA PHE A 101 16.921 4.588 0.093 1.00 0.40 C ATOM 1727 C PHE A 101 17.105 4.245 -1.385 1.00 0.42 C ATOM 1728 O PHE A 101 17.304 5.136 -2.211 1.00 0.43 O ATOM 1729 CB PHE A 101 15.446 4.872 0.386 1.00 0.36 C ATOM 1730 CG PHE A 101 14.777 3.807 1.209 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.133 3.609 2.534 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.795 3.002 0.656 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.521 2.629 3.292 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.181 2.019 1.409 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.547 1.832 2.727 1.00 0.33 C ATOM 0 H PHE A 101 17.206 6.543 0.799 1.00 0.41 H new ATOM 0 HA PHE A 101 17.244 3.734 0.689 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.366 5.826 0.908 1.00 0.36 H new ATOM 0 HB3 PHE A 101 14.911 4.979 -0.558 1.00 0.36 H new ATOM 0 HD1 PHE A 101 15.898 4.228 2.979 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.506 3.144 -0.375 1.00 0.33 H new ATOM 0 HE1 PHE A 101 14.805 2.487 4.324 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.416 1.398 0.967 1.00 0.32 H new ATOM 0 HZ PHE A 101 13.071 1.062 3.316 1.00 0.33 H new ATOM 1745 N PRO A 102 17.044 2.946 -1.739 1.00 0.42 N ATOM 1746 CA PRO A 102 17.206 2.496 -3.128 1.00 0.44 C ATOM 1747 C PRO A 102 16.301 3.250 -4.096 1.00 0.43 C ATOM 1748 O PRO A 102 15.170 3.602 -3.758 1.00 0.40 O ATOM 1749 CB PRO A 102 16.814 1.019 -3.072 1.00 0.44 C ATOM 1750 CG PRO A 102 17.101 0.606 -1.670 1.00 0.44 C ATOM 1751 CD PRO A 102 16.816 1.813 -0.819 1.00 0.41 C ATOM 0 HA PRO A 102 18.218 2.670 -3.494 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.762 0.879 -3.319 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.390 0.429 -3.785 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.476 -0.237 -1.375 1.00 0.44 H new ATOM 0 HG3 PRO A 102 18.138 0.287 -1.561 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.794 1.804 -0.439 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.477 1.859 0.046 1.00 0.41 H new ATOM 1759 N GLU A 103 16.807 3.497 -5.300 1.00 0.46 N ATOM 1760 CA GLU A 103 16.046 4.209 -6.321 1.00 0.46 C ATOM 1761 C GLU A 103 14.958 3.318 -6.909 1.00 0.45 C ATOM 1762 O GLU A 103 15.015 2.093 -6.796 1.00 0.45 O ATOM 1763 CB GLU A 103 16.976 4.698 -7.433 1.00 0.50 C ATOM 1764 CG GLU A 103 16.511 5.983 -8.097 1.00 0.50 C ATOM 1765 CD GLU A 103 17.579 6.605 -8.974 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.601 7.071 -8.428 1.00 0.55 O ATOM 1767 OE2 GLU A 103 17.395 6.625 -10.211 1.00 0.56 O ATOM 0 H GLU A 103 17.742 3.214 -5.593 1.00 0.46 H new ATOM 0 HA GLU A 103 15.571 5.069 -5.849 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.972 4.853 -7.019 1.00 0.50 H new ATOM 0 HB3 GLU A 103 17.063 3.919 -8.190 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.626 5.777 -8.699 1.00 0.50 H new ATOM 0 HG3 GLU A 103 16.215 6.698 -7.329 1.00 0.50 H new ATOM 1774 N SER A 104 13.968 3.942 -7.540 1.00 0.43 N ATOM 1775 CA SER A 104 12.863 3.209 -8.149 1.00 0.42 C ATOM 1776 C SER A 104 13.353 2.334 -9.299 1.00 0.46 C ATOM 1777 O SER A 104 12.746 1.310 -9.612 1.00 0.45 O ATOM 1778 CB SER A 104 11.796 4.183 -8.653 1.00 0.41 C ATOM 1779 OG SER A 104 11.586 5.236 -7.728 1.00 0.39 O ATOM 0 H SER A 104 13.908 4.955 -7.643 1.00 0.43 H new ATOM 0 HA SER A 104 12.427 2.562 -7.388 1.00 0.42 H new ATOM 0 HB2 SER A 104 12.101 4.596 -9.615 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.861 3.648 -8.818 1.00 0.41 H new ATOM 0 HG SER A 104 10.643 5.254 -7.462 1.00 0.39 H new ATOM 1785 N SER A 105 14.452 2.746 -9.924 1.00 0.49 N ATOM 1786 CA SER A 105 15.021 2.000 -11.040 1.00 0.53 C ATOM 1787 C SER A 105 15.880 0.841 -10.543 1.00 0.55 C ATOM 1788 O SER A 105 16.368 0.034 -11.334 1.00 0.58 O ATOM 1789 CB SER A 105 15.856 2.926 -11.926 1.00 0.56 C ATOM 1790 OG SER A 105 15.344 2.966 -13.247 1.00 0.58 O ATOM 0 H SER A 105 14.965 3.592 -9.676 1.00 0.49 H new ATOM 0 HA SER A 105 14.198 1.591 -11.626 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.861 3.931 -11.504 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.890 2.582 -11.944 1.00 0.56 H new ATOM 0 HG SER A 105 15.894 3.566 -13.793 1.00 0.58 H new ATOM 1796 N GLN A 106 16.063 0.771 -9.229 1.00 0.52 N ATOM 1797 CA GLN A 106 16.863 -0.288 -8.623 1.00 0.54 C ATOM 1798 C GLN A 106 16.051 -1.050 -7.581 1.00 0.51 C ATOM 1799 O GLN A 106 16.594 -1.853 -6.824 1.00 0.52 O ATOM 1800 CB GLN A 106 18.122 0.298 -7.979 1.00 0.55 C ATOM 1801 CG GLN A 106 18.875 1.263 -8.879 1.00 0.58 C ATOM 1802 CD GLN A 106 20.296 1.512 -8.410 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.734 2.657 -8.298 1.00 0.60 O ATOM 1804 NE2 GLN A 106 21.024 0.435 -8.133 1.00 0.62 N ATOM 0 H GLN A 106 15.668 1.435 -8.563 1.00 0.52 H new ATOM 0 HA GLN A 106 17.158 -0.983 -9.409 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.843 0.814 -7.060 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.788 -0.517 -7.697 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.896 0.866 -9.894 1.00 0.58 H new ATOM 0 HG3 GLN A 106 18.338 2.211 -8.918 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.620 -0.495 -8.240 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.987 0.539 -7.813 1.00 0.62 H new ATOM 1813 N ILE A 107 14.748 -0.789 -7.550 1.00 0.48 N ATOM 1814 CA ILE A 107 13.858 -1.446 -6.602 1.00 0.45 C ATOM 1815 C ILE A 107 13.195 -2.676 -7.230 1.00 0.46 C ATOM 1816 O ILE A 107 12.519 -2.565 -8.253 1.00 0.46 O ATOM 1817 CB ILE A 107 12.768 -0.471 -6.094 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.301 0.347 -4.915 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.503 -1.218 -5.690 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.545 1.638 -4.686 1.00 0.36 C ATOM 0 H ILE A 107 14.285 -0.126 -8.172 1.00 0.48 H new ATOM 0 HA ILE A 107 14.466 -1.767 -5.756 1.00 0.45 H new ATOM 0 HB ILE A 107 12.512 0.205 -6.910 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.252 -0.259 -4.010 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.352 0.577 -5.088 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.757 -0.506 -5.338 1.00 0.38 H new ATOM 0 HG22 ILE A 107 11.110 -1.760 -6.550 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.736 -1.924 -4.892 1.00 0.38 H new ATOM 0 HD11 ILE A 107 12.976 2.166 -3.836 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.616 2.264 -5.576 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.498 1.415 -4.481 1.00 0.36 H new ATOM 1832 N PRO A 108 13.389 -3.871 -6.632 1.00 0.47 N ATOM 1833 CA PRO A 108 12.795 -5.113 -7.141 1.00 0.48 C ATOM 1834 C PRO A 108 11.286 -4.996 -7.329 1.00 0.45 C ATOM 1835 O PRO A 108 10.653 -4.075 -6.813 1.00 0.41 O ATOM 1836 CB PRO A 108 13.121 -6.138 -6.052 1.00 0.49 C ATOM 1837 CG PRO A 108 14.340 -5.606 -5.386 1.00 0.50 C ATOM 1838 CD PRO A 108 14.207 -4.109 -5.427 1.00 0.47 C ATOM 0 HA PRO A 108 13.186 -5.379 -8.123 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.297 -6.241 -5.346 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.301 -7.125 -6.478 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.413 -5.964 -4.359 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.242 -5.933 -5.903 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.722 -3.724 -4.530 1.00 0.47 H new ATOM 0 HD3 PRO A 108 15.179 -3.621 -5.498 1.00 0.47 H new ATOM 1846 N GLU A 109 10.717 -5.939 -8.074 1.00 0.47 N ATOM 1847 CA GLU A 109 9.283 -5.940 -8.344 1.00 0.44 C ATOM 1848 C GLU A 109 8.628 -7.211 -7.810 1.00 0.44 C ATOM 1849 O GLU A 109 7.470 -7.496 -8.116 1.00 0.43 O ATOM 1850 CB GLU A 109 9.024 -5.810 -9.846 1.00 0.46 C ATOM 1851 CG GLU A 109 9.871 -6.744 -10.695 1.00 0.51 C ATOM 1852 CD GLU A 109 9.414 -6.794 -12.140 1.00 0.53 C ATOM 1853 OE1 GLU A 109 8.403 -7.471 -12.420 1.00 0.52 O ATOM 1854 OE2 GLU A 109 10.069 -6.155 -12.992 1.00 0.55 O ATOM 0 H GLU A 109 11.227 -6.712 -8.501 1.00 0.47 H new ATOM 0 HA GLU A 109 8.843 -5.084 -7.832 1.00 0.44 H new ATOM 0 HB2 GLU A 109 7.971 -6.009 -10.043 1.00 0.46 H new ATOM 0 HB3 GLU A 109 9.216 -4.781 -10.151 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.911 -6.420 -10.658 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.834 -7.748 -10.271 1.00 0.51 H new ATOM 1861 N ASN A 110 9.378 -7.971 -7.017 1.00 0.46 N ATOM 1862 CA ASN A 110 8.872 -9.212 -6.441 1.00 0.48 C ATOM 1863 C ASN A 110 7.574 -8.971 -5.674 1.00 0.44 C ATOM 1864 O ASN A 110 7.526 -8.150 -4.758 1.00 0.41 O ATOM 1865 CB ASN A 110 9.919 -9.831 -5.511 1.00 0.50 C ATOM 1866 CG ASN A 110 9.886 -11.346 -5.531 1.00 0.54 C ATOM 1867 OD1 ASN A 110 8.950 -11.965 -5.024 1.00 0.53 O ATOM 1868 ND2 ASN A 110 10.910 -11.955 -6.117 1.00 0.58 N ATOM 0 H ASN A 110 10.339 -7.748 -6.759 1.00 0.46 H new ATOM 0 HA ASN A 110 8.666 -9.903 -7.258 1.00 0.48 H new ATOM 0 HB2 ASN A 110 10.911 -9.488 -5.806 1.00 0.50 H new ATOM 0 HB3 ASN A 110 9.750 -9.480 -4.493 1.00 0.50 H new ATOM 0 HD21 ASN A 110 10.941 -12.974 -6.159 1.00 0.58 H new ATOM 0 HD22 ASN A 110 11.665 -11.404 -6.525 1.00 0.58 H new ATOM 1875 N THR A 111 6.526 -9.693 -6.059 1.00 0.44 N ATOM 1876 CA THR A 111 5.225 -9.561 -5.415 1.00 0.41 C ATOM 1877 C THR A 111 5.101 -10.522 -4.231 1.00 0.42 C ATOM 1878 O THR A 111 5.072 -11.738 -4.416 1.00 0.45 O ATOM 1879 CB THR A 111 4.080 -9.841 -6.405 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.612 -10.244 -7.673 1.00 0.44 O ATOM 1881 CG2 THR A 111 3.208 -8.607 -6.587 1.00 0.36 C ATOM 0 H THR A 111 6.553 -10.377 -6.815 1.00 0.44 H new ATOM 0 HA THR A 111 5.148 -8.533 -5.060 1.00 0.41 H new ATOM 0 HB THR A 111 3.467 -10.645 -5.997 1.00 0.40 H new ATOM 0 HG1 THR A 111 4.938 -11.166 -7.613 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.406 -8.829 -7.291 1.00 0.36 H new ATOM 0 HG22 THR A 111 2.779 -8.320 -5.627 1.00 0.36 H new ATOM 0 HG23 THR A 111 3.814 -7.787 -6.974 1.00 0.36 H new ATOM 1889 N PRO A 112 5.027 -9.990 -2.994 1.00 0.40 N ATOM 1890 CA PRO A 112 4.905 -10.818 -1.786 1.00 0.42 C ATOM 1891 C PRO A 112 3.687 -11.732 -1.828 1.00 0.43 C ATOM 1892 O PRO A 112 2.609 -11.329 -2.266 1.00 0.40 O ATOM 1893 CB PRO A 112 4.764 -9.793 -0.658 1.00 0.38 C ATOM 1894 CG PRO A 112 5.367 -8.544 -1.201 1.00 0.36 C ATOM 1895 CD PRO A 112 5.059 -8.551 -2.669 1.00 0.36 C ATOM 0 HA PRO A 112 5.758 -11.486 -1.667 1.00 0.42 H new ATOM 0 HB2 PRO A 112 3.719 -9.643 -0.388 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.281 -10.123 0.243 1.00 0.38 H new ATOM 0 HG2 PRO A 112 4.946 -7.663 -0.717 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.443 -8.520 -1.026 1.00 0.36 H new ATOM 0 HD2 PRO A 112 4.106 -8.067 -2.884 1.00 0.36 H new ATOM 0 HD3 PRO A 112 5.821 -8.024 -3.244 1.00 0.36 H new ATOM 1903 N THR A 113 3.867 -12.967 -1.367 1.00 0.46 N ATOM 1904 CA THR A 113 2.783 -13.943 -1.350 1.00 0.48 C ATOM 1905 C THR A 113 2.980 -14.962 -0.231 1.00 0.51 C ATOM 1906 O THR A 113 4.022 -15.612 -0.148 1.00 0.54 O ATOM 1907 CB THR A 113 2.676 -14.691 -2.694 1.00 0.50 C ATOM 1908 OG1 THR A 113 3.507 -14.058 -3.675 1.00 0.49 O ATOM 1909 CG2 THR A 113 1.238 -14.719 -3.185 1.00 0.49 C ATOM 0 H THR A 113 4.753 -13.315 -1.001 1.00 0.46 H new ATOM 0 HA THR A 113 1.861 -13.388 -1.178 1.00 0.48 H new ATOM 0 HB THR A 113 3.011 -15.717 -2.540 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.434 -14.540 -4.525 1.00 0.49 H new ATOM 0 HG21 THR A 113 1.188 -15.252 -4.135 1.00 0.49 H new ATOM 0 HG22 THR A 113 0.613 -15.227 -2.451 1.00 0.49 H new ATOM 0 HG23 THR A 113 0.881 -13.699 -3.322 1.00 0.49 H new ATOM 1917 N ALA A 114 1.973 -15.094 0.628 1.00 0.51 N ATOM 1918 CA ALA A 114 2.035 -16.032 1.745 1.00 0.54 C ATOM 1919 C ALA A 114 2.092 -17.472 1.249 1.00 0.58 C ATOM 1920 O ALA A 114 1.799 -17.750 0.086 1.00 0.58 O ATOM 1921 CB ALA A 114 0.840 -15.835 2.665 1.00 0.53 C ATOM 0 H ALA A 114 1.104 -14.563 0.572 1.00 0.51 H new ATOM 0 HA ALA A 114 2.948 -15.832 2.306 1.00 0.54 H new ATOM 0 HB1 ALA A 114 0.899 -16.541 3.494 1.00 0.53 H new ATOM 0 HB2 ALA A 114 0.845 -14.817 3.054 1.00 0.53 H new ATOM 0 HB3 ALA A 114 -0.081 -16.006 2.107 1.00 0.53 H new ATOM 1927 N ARG A 115 2.474 -18.385 2.139 1.00 0.61 N ATOM 1928 CA ARG A 115 2.570 -19.798 1.792 1.00 0.65 C ATOM 1929 C ARG A 115 1.227 -20.497 1.979 1.00 0.66 C ATOM 1930 O ARG A 115 0.508 -20.231 2.943 1.00 0.66 O ATOM 1931 CB ARG A 115 3.639 -20.485 2.645 1.00 0.69 C ATOM 1932 CG ARG A 115 3.486 -20.234 4.137 1.00 0.69 C ATOM 1933 CD ARG A 115 4.666 -20.789 4.918 1.00 0.72 C ATOM 1934 NE ARG A 115 5.940 -20.282 4.417 1.00 0.71 N ATOM 1935 CZ ARG A 115 6.984 -21.058 4.131 1.00 0.74 C ATOM 1936 NH1 ARG A 115 6.906 -22.370 4.306 1.00 0.78 N ATOM 1937 NH2 ARG A 115 8.105 -20.519 3.671 1.00 0.73 N ATOM 0 H ARG A 115 2.722 -18.170 3.105 1.00 0.61 H new ATOM 0 HA ARG A 115 2.853 -19.869 0.742 1.00 0.65 H new ATOM 0 HB2 ARG A 115 3.603 -21.559 2.461 1.00 0.69 H new ATOM 0 HB3 ARG A 115 4.623 -20.139 2.327 1.00 0.69 H new ATOM 0 HG2 ARG A 115 3.398 -19.163 4.320 1.00 0.69 H new ATOM 0 HG3 ARG A 115 2.564 -20.695 4.492 1.00 0.69 H new ATOM 0 HD2 ARG A 115 4.560 -20.526 5.971 1.00 0.72 H new ATOM 0 HD3 ARG A 115 4.660 -21.877 4.859 1.00 0.72 H new ATOM 0 HE ARG A 115 6.036 -19.276 4.278 1.00 0.71 H new ATOM 0 HH11 ARG A 115 6.045 -22.787 4.660 1.00 0.78 H new ATOM 0 HH12 ARG A 115 7.707 -22.962 4.086 1.00 0.78 H new ATOM 0 HH21 ARG A 115 8.168 -19.510 3.536 1.00 0.73 H new ATOM 0 HH22 ARG A 115 8.904 -21.114 3.452 1.00 0.73 H new ATOM 1951 N ARG A 116 0.900 -21.392 1.053 1.00 0.68 N ATOM 1952 CA ARG A 116 -0.356 -22.134 1.113 1.00 0.70 C ATOM 1953 C ARG A 116 -0.100 -23.615 1.363 1.00 0.74 C ATOM 1954 O ARG A 116 0.928 -24.155 0.954 1.00 0.77 O ATOM 1955 CB ARG A 116 -1.141 -21.951 -0.188 1.00 0.68 C ATOM 1956 CG ARG A 116 -1.819 -20.598 -0.306 1.00 0.64 C ATOM 1957 CD ARG A 116 -2.696 -20.521 -1.544 1.00 0.63 C ATOM 1958 NE ARG A 116 -2.117 -19.663 -2.574 1.00 0.60 N ATOM 1959 CZ ARG A 116 -2.107 -18.333 -2.511 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -2.643 -17.712 -1.469 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -1.561 -17.627 -3.491 1.00 0.55 N ATOM 0 H ARG A 116 1.487 -21.622 0.251 1.00 0.68 H new ATOM 0 HA ARG A 116 -0.944 -21.741 1.943 1.00 0.70 H new ATOM 0 HB2 ARG A 116 -0.464 -22.083 -1.032 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -1.896 -22.734 -0.259 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -2.424 -20.414 0.582 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -1.063 -19.813 -0.345 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -2.842 -21.523 -1.947 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -3.680 -20.142 -1.268 1.00 0.63 H new ATOM 0 HE ARG A 116 -1.696 -20.108 -3.389 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -3.064 -18.253 -0.714 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -2.634 -16.693 -1.423 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -1.148 -18.103 -4.294 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -1.553 -16.608 -3.443 1.00 0.55 H new ATOM 1975 N ARG A 117 -1.043 -24.269 2.038 1.00 0.76 N ATOM 1976 CA ARG A 117 -0.919 -25.689 2.342 1.00 0.80 C ATOM 1977 C ARG A 117 -1.283 -26.539 1.128 1.00 0.82 C ATOM 1978 O ARG A 117 -0.490 -27.463 0.815 1.00 0.85 O ATOM 1979 CB ARG A 117 -1.817 -26.058 3.525 1.00 0.82 C ATOM 1980 CG ARG A 117 -1.731 -25.079 4.684 1.00 0.80 C ATOM 1981 CD ARG A 117 -2.674 -25.466 5.810 1.00 0.81 C ATOM 1982 NE ARG A 117 -3.988 -24.847 5.659 1.00 0.79 N ATOM 1983 CZ ARG A 117 -5.007 -25.061 6.486 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -4.867 -25.880 7.520 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -6.168 -24.456 6.278 1.00 0.79 N ATOM 1986 OXT ARG A 117 -2.329 -26.286 0.448 1.00 0.81 O ATOM 0 H ARG A 117 -1.900 -23.837 2.384 1.00 0.76 H new ATOM 0 HA ARG A 117 0.119 -25.890 2.606 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -2.850 -26.112 3.183 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -1.546 -27.052 3.880 1.00 0.82 H new ATOM 0 HG2 ARG A 117 -0.708 -25.047 5.059 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -1.974 -24.076 4.333 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -2.784 -26.550 5.834 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -2.240 -25.168 6.765 1.00 0.81 H new ATOM 0 HE ARG A 117 -4.133 -24.213 4.873 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -3.975 -26.348 7.683 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -5.651 -26.042 8.152 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -6.280 -23.826 5.483 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -6.950 -24.620 6.912 1.00 0.79 H new