USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 598 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 79 HIS : no HD1:sc= -3.08! C(o=-3.9!,f=-4!) USER MOD Set 1.2: A 83 SER OG : rot -51:sc= -0.806 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -4.28! C(o=-4.3!,f=-5.7!) USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.043) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.313 K(o=-0.31,f=-3.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 164:sc= -0.0512 (180deg=-0.428) USER MOD Single : A 34 SER OG : rot -16:sc= 0.623 USER MOD Single : A 36 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.41) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.8!) USER MOD Single : A 56 SER OG : rot 48:sc= 0.69 USER MOD Single : A 57 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-1.9) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0151 USER MOD Single : A 64 GLN : amide:sc= -0.917 X(o=-0.92,f=-0.52) USER MOD Single : A 66 MET CE :methyl -171:sc= -0.406 (180deg=-0.417) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.971 -6.397 -5.359 1.00 0.00 N ATOM 142 CA ALA A 13 -2.549 -6.581 -5.093 1.00 0.00 C ATOM 143 C ALA A 13 -2.139 -8.037 -5.283 1.00 0.00 C ATOM 144 O ALA A 13 -2.973 -8.942 -5.222 1.00 0.00 O ATOM 145 CB ALA A 13 -2.211 -6.115 -3.685 1.00 0.00 C ATOM 0 HA ALA A 13 -1.990 -5.977 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.146 -6.258 -3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.458 -5.058 -3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.786 -6.694 -2.962 1.00 0.00 H new ATOM 151 N THR A 14 -0.849 -8.259 -5.514 1.00 0.00 N ATOM 152 CA THR A 14 -0.329 -9.605 -5.715 1.00 0.00 C ATOM 153 C THR A 14 0.615 -10.004 -4.586 1.00 0.00 C ATOM 154 O THR A 14 1.369 -9.177 -4.073 1.00 0.00 O ATOM 155 CB THR A 14 0.416 -9.725 -7.058 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.416 -9.254 -8.124 1.00 0.00 O ATOM 157 CG2 THR A 14 0.822 -11.167 -7.325 1.00 0.00 C ATOM 0 H THR A 14 -0.145 -7.523 -5.566 1.00 0.00 H new ATOM 0 HA THR A 14 -1.187 -10.277 -5.723 1.00 0.00 H new ATOM 0 HB THR A 14 1.317 -9.114 -7.004 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.066 -9.332 -8.974 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.346 -11.227 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.479 -11.514 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.068 -11.795 -7.360 1.00 0.00 H new ATOM 165 N VAL A 15 0.569 -11.276 -4.204 1.00 0.00 N ATOM 166 CA VAL A 15 1.422 -11.785 -3.136 1.00 0.00 C ATOM 167 C VAL A 15 2.873 -11.883 -3.592 1.00 0.00 C ATOM 168 O VAL A 15 3.154 -12.270 -4.726 1.00 0.00 O ATOM 169 CB VAL A 15 0.952 -13.171 -2.655 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.892 -14.149 -3.818 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.866 -13.691 -1.556 1.00 0.00 C ATOM 0 H VAL A 15 -0.050 -11.973 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 15 1.351 -11.078 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.053 -13.072 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.558 -15.122 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.193 -13.780 -4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.882 -14.247 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.519 -14.671 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.883 -13.775 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.851 -13.000 -0.713 1.00 0.00 H new ATOM 181 N GLY A 16 3.793 -11.530 -2.699 1.00 0.00 N ATOM 182 CA GLY A 16 5.205 -11.585 -3.028 1.00 0.00 C ATOM 183 C GLY A 16 5.655 -10.399 -3.857 1.00 0.00 C ATOM 184 O GLY A 16 6.727 -9.841 -3.625 1.00 0.00 O ATOM 0 H GLY A 16 3.585 -11.207 -1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.788 -11.623 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.412 -12.505 -3.574 1.00 0.00 H new ATOM 188 N SER A 17 4.834 -10.013 -4.829 1.00 0.00 N ATOM 189 CA SER A 17 5.155 -8.888 -5.700 1.00 0.00 C ATOM 190 C SER A 17 5.002 -7.565 -4.957 1.00 0.00 C ATOM 191 O SER A 17 4.035 -7.362 -4.222 1.00 0.00 O ATOM 192 CB SER A 17 4.254 -8.899 -6.936 1.00 0.00 C ATOM 193 OG SER A 17 4.304 -10.154 -7.593 1.00 0.00 O ATOM 0 H SER A 17 3.942 -10.463 -5.033 1.00 0.00 H new ATOM 0 HA SER A 17 6.193 -8.990 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.227 -8.679 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.565 -8.112 -7.624 1.00 0.00 H new ATOM 0 HG SER A 17 3.718 -10.136 -8.379 1.00 0.00 H new ATOM 199 N ILE A 18 5.963 -6.668 -5.153 1.00 0.00 N ATOM 200 CA ILE A 18 5.935 -5.364 -4.503 1.00 0.00 C ATOM 201 C ILE A 18 4.663 -4.600 -4.857 1.00 0.00 C ATOM 202 O ILE A 18 4.262 -4.547 -6.021 1.00 0.00 O ATOM 203 CB ILE A 18 7.157 -4.513 -4.896 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.452 -5.257 -4.561 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.115 -3.167 -4.188 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.696 -5.406 -3.075 1.00 0.00 C ATOM 0 H ILE A 18 6.771 -6.821 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 18 5.959 -5.547 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 18 7.128 -4.337 -5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.421 -6.247 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.293 -4.726 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.985 -2.577 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.206 -2.635 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.123 -3.323 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.631 -5.943 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.759 -4.419 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.874 -5.964 -2.625 1.00 0.00 H new ATOM 218 N CYS A 19 4.034 -4.009 -3.848 1.00 0.00 N ATOM 219 CA CYS A 19 2.808 -3.247 -4.052 1.00 0.00 C ATOM 220 C CYS A 19 3.097 -1.749 -4.078 1.00 0.00 C ATOM 221 O CYS A 19 3.611 -1.189 -3.110 1.00 0.00 O ATOM 222 CB CYS A 19 1.796 -3.564 -2.951 1.00 0.00 C ATOM 223 SG CYS A 19 0.106 -3.043 -3.329 1.00 0.00 S ATOM 0 H CYS A 19 4.353 -4.043 -2.880 1.00 0.00 H new ATOM 0 HA CYS A 19 2.387 -3.535 -5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.801 -4.638 -2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.116 -3.080 -2.028 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.676 -3.356 -2.339 1.00 0.00 H new ATOM 229 N ASP A 20 2.765 -1.107 -5.193 1.00 0.00 N ATOM 230 CA ASP A 20 2.989 0.326 -5.345 1.00 0.00 C ATOM 231 C ASP A 20 1.716 1.110 -5.043 1.00 0.00 C ATOM 232 O ASP A 20 0.646 0.806 -5.573 1.00 0.00 O ATOM 233 CB ASP A 20 3.472 0.640 -6.762 1.00 0.00 C ATOM 234 CG ASP A 20 4.604 -0.267 -7.202 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.722 -0.125 -6.662 1.00 0.00 O ATOM 236 OD2 ASP A 20 4.373 -1.119 -8.085 1.00 0.00 O ATOM 0 H ASP A 20 2.340 -1.556 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 20 3.757 0.627 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.639 0.540 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.803 1.678 -6.808 1.00 0.00 H new ATOM 241 N LEU A 21 1.838 2.119 -4.188 1.00 0.00 N ATOM 242 CA LEU A 21 0.697 2.947 -3.813 1.00 0.00 C ATOM 243 C LEU A 21 0.790 4.326 -4.458 1.00 0.00 C ATOM 244 O LEU A 21 1.851 4.949 -4.464 1.00 0.00 O ATOM 245 CB LEU A 21 0.621 3.087 -2.292 1.00 0.00 C ATOM 246 CG LEU A 21 -0.776 3.292 -1.706 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.621 2.041 -1.889 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.687 3.667 -0.233 1.00 0.00 C ATOM 0 H LEU A 21 2.716 2.384 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.209 2.458 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.054 2.193 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.246 3.929 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.256 4.111 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.612 2.206 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.713 1.816 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.145 1.203 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.691 3.809 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.187 2.869 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.120 4.592 -0.127 1.00 0.00 H new ATOM 260 N ASN A 22 -0.329 4.797 -4.999 1.00 0.00 N ATOM 261 CA ASN A 22 -0.374 6.104 -5.646 1.00 0.00 C ATOM 262 C ASN A 22 -0.795 7.186 -4.656 1.00 0.00 C ATOM 263 O ASN A 22 -1.968 7.291 -4.296 1.00 0.00 O ATOM 264 CB ASN A 22 -1.342 6.076 -6.831 1.00 0.00 C ATOM 265 CG ASN A 22 -0.782 5.316 -8.017 1.00 0.00 C ATOM 266 OD1 ASN A 22 -0.695 5.848 -9.124 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.399 4.065 -7.791 1.00 0.00 N ATOM 0 H ASN A 22 -1.216 4.294 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 22 0.627 6.338 -6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.280 5.617 -6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.572 7.098 -7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.014 3.504 -8.551 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.489 3.665 -6.857 1.00 0.00 H new ATOM 274 N LEU A 23 0.170 7.989 -4.221 1.00 0.00 N ATOM 275 CA LEU A 23 -0.100 9.065 -3.274 1.00 0.00 C ATOM 276 C LEU A 23 0.560 10.365 -3.724 1.00 0.00 C ATOM 277 O LEU A 23 1.779 10.433 -3.881 1.00 0.00 O ATOM 278 CB LEU A 23 0.402 8.681 -1.880 1.00 0.00 C ATOM 279 CG LEU A 23 -0.563 7.862 -1.022 1.00 0.00 C ATOM 280 CD1 LEU A 23 0.186 7.156 0.097 1.00 0.00 C ATOM 281 CD2 LEU A 23 -1.658 8.753 -0.453 1.00 0.00 C ATOM 0 H LEU A 23 1.146 7.915 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.178 9.221 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.327 8.115 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.650 9.595 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.029 7.106 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.517 6.578 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.933 6.488 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.679 7.896 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.336 8.154 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.210 9.532 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.214 9.213 -1.270 1.00 0.00 H new ATOM 293 N LYS A 24 -0.254 11.395 -3.927 1.00 0.00 N ATOM 294 CA LYS A 24 0.249 12.695 -4.355 1.00 0.00 C ATOM 295 C LYS A 24 -0.156 13.787 -3.370 1.00 0.00 C ATOM 296 O LYS A 24 -1.135 14.501 -3.589 1.00 0.00 O ATOM 297 CB LYS A 24 -0.277 13.033 -5.752 1.00 0.00 C ATOM 298 CG LYS A 24 -1.774 12.830 -5.904 1.00 0.00 C ATOM 299 CD LYS A 24 -2.265 13.296 -7.265 1.00 0.00 C ATOM 300 CE LYS A 24 -3.632 12.715 -7.593 1.00 0.00 C ATOM 301 NZ LYS A 24 -4.245 13.377 -8.778 1.00 0.00 N ATOM 0 H LYS A 24 -1.266 11.355 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 24 1.337 12.643 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.035 14.071 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.241 12.415 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.014 11.775 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.298 13.377 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.318 14.385 -7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.549 13.000 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.536 11.646 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.291 12.828 -6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.175 12.954 -8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.360 14.393 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.629 13.247 -9.606 1.00 0.00 H new ATOM 315 N ILE A 25 0.604 13.912 -2.287 1.00 0.00 N ATOM 316 CA ILE A 25 0.325 14.918 -1.271 1.00 0.00 C ATOM 317 C ILE A 25 1.485 15.899 -1.135 1.00 0.00 C ATOM 318 O ILE A 25 2.446 15.664 -0.404 1.00 0.00 O ATOM 319 CB ILE A 25 0.050 14.273 0.100 1.00 0.00 C ATOM 320 CG1 ILE A 25 -0.851 13.047 -0.060 1.00 0.00 C ATOM 321 CG2 ILE A 25 -0.585 15.283 1.044 1.00 0.00 C ATOM 322 CD1 ILE A 25 -0.882 12.156 1.162 1.00 0.00 C ATOM 0 H ILE A 25 1.418 13.329 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.566 15.455 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 25 0.999 13.951 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.865 13.378 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.510 12.465 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.773 14.811 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.089 16.129 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.527 15.634 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.540 11.307 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.124 11.795 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.252 12.723 2.016 1.00 0.00 H new ATOM 334 N PRO A 26 1.393 17.027 -1.856 1.00 0.00 N ATOM 335 CA PRO A 26 2.425 18.068 -1.831 1.00 0.00 C ATOM 336 C PRO A 26 2.471 18.807 -0.498 1.00 0.00 C ATOM 337 O PRO A 26 3.543 19.012 0.071 1.00 0.00 O ATOM 338 CB PRO A 26 1.998 19.017 -2.954 1.00 0.00 C ATOM 339 CG PRO A 26 0.527 18.818 -3.079 1.00 0.00 C ATOM 340 CD PRO A 26 0.275 17.373 -2.749 1.00 0.00 C ATOM 0 HA PRO A 26 3.425 17.654 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.238 20.052 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.510 18.782 -3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.015 19.474 -2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.186 19.053 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.689 17.235 -2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.269 16.751 -3.644 1.00 0.00 H new ATOM 348 N GLU A 27 1.302 19.204 -0.006 1.00 0.00 N ATOM 349 CA GLU A 27 1.211 19.921 1.261 1.00 0.00 C ATOM 350 C GLU A 27 2.033 19.223 2.341 1.00 0.00 C ATOM 351 O GLU A 27 2.564 19.869 3.245 1.00 0.00 O ATOM 352 CB GLU A 27 -0.249 20.030 1.707 1.00 0.00 C ATOM 353 CG GLU A 27 -1.102 20.891 0.791 1.00 0.00 C ATOM 354 CD GLU A 27 -2.587 20.642 0.972 1.00 0.00 C ATOM 355 OE1 GLU A 27 -3.111 19.697 0.347 1.00 0.00 O ATOM 356 OE2 GLU A 27 -3.225 21.393 1.740 1.00 0.00 O ATOM 0 H GLU A 27 0.405 19.042 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 27 1.614 20.923 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.680 19.030 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.282 20.443 2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.888 21.942 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.828 20.694 -0.245 1.00 0.00 H new ATOM 363 N ILE A 28 2.132 17.902 2.240 1.00 0.00 N ATOM 364 CA ILE A 28 2.890 17.117 3.207 1.00 0.00 C ATOM 365 C ILE A 28 4.253 16.724 2.649 1.00 0.00 C ATOM 366 O ILE A 28 4.390 16.444 1.459 1.00 0.00 O ATOM 367 CB ILE A 28 2.129 15.843 3.618 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.764 16.205 4.208 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.946 15.036 4.615 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.203 15.043 4.251 1.00 0.00 C ATOM 0 H ILE A 28 1.697 17.353 1.499 1.00 0.00 H new ATOM 0 HA ILE A 28 3.028 17.747 4.086 1.00 0.00 H new ATOM 0 HB ILE A 28 1.969 15.231 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.904 16.588 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.325 17.011 3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.394 14.139 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.895 14.751 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.134 15.639 5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.149 15.373 4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.373 14.673 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.215 14.244 4.864 1.00 0.00 H new ATOM 382 N ASN A 29 5.259 16.704 3.518 1.00 0.00 N ATOM 383 CA ASN A 29 6.612 16.343 3.112 1.00 0.00 C ATOM 384 C ASN A 29 6.806 14.830 3.148 1.00 0.00 C ATOM 385 O ASN A 29 6.527 14.182 4.156 1.00 0.00 O ATOM 386 CB ASN A 29 7.638 17.022 4.022 1.00 0.00 C ATOM 387 CG ASN A 29 8.947 17.302 3.310 1.00 0.00 C ATOM 388 OD1 ASN A 29 9.924 16.571 3.472 1.00 0.00 O ATOM 389 ND2 ASN A 29 8.972 18.366 2.515 1.00 0.00 N ATOM 0 H ASN A 29 5.162 16.933 4.507 1.00 0.00 H new ATOM 0 HA ASN A 29 6.761 16.686 2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.224 17.958 4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.827 16.388 4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.825 18.605 2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.138 18.944 2.410 1.00 0.00 H new ATOM 396 N SER A 30 7.286 14.274 2.040 1.00 0.00 N ATOM 397 CA SER A 30 7.515 12.837 1.943 1.00 0.00 C ATOM 398 C SER A 30 8.259 12.322 3.171 1.00 0.00 C ATOM 399 O SER A 30 8.123 11.159 3.550 1.00 0.00 O ATOM 400 CB SER A 30 8.309 12.510 0.677 1.00 0.00 C ATOM 401 OG SER A 30 9.565 13.165 0.679 1.00 0.00 O ATOM 0 H SER A 30 7.524 14.797 1.197 1.00 0.00 H new ATOM 0 HA SER A 30 6.545 12.342 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.457 11.433 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.739 12.812 -0.202 1.00 0.00 H new ATOM 0 HG SER A 30 10.053 12.938 -0.140 1.00 0.00 H new ATOM 407 N SER A 31 9.047 13.197 3.788 1.00 0.00 N ATOM 408 CA SER A 31 9.817 12.830 4.971 1.00 0.00 C ATOM 409 C SER A 31 8.947 12.883 6.224 1.00 0.00 C ATOM 410 O SER A 31 9.032 12.012 7.089 1.00 0.00 O ATOM 411 CB SER A 31 11.019 13.762 5.132 1.00 0.00 C ATOM 412 OG SER A 31 12.141 13.276 4.414 1.00 0.00 O ATOM 0 H SER A 31 9.169 14.164 3.489 1.00 0.00 H new ATOM 0 HA SER A 31 10.173 11.808 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.760 14.759 4.777 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.272 13.856 6.188 1.00 0.00 H new ATOM 0 HG SER A 31 12.896 13.890 4.531 1.00 0.00 H new ATOM 418 N ASP A 32 8.111 13.912 6.312 1.00 0.00 N ATOM 419 CA ASP A 32 7.224 14.080 7.457 1.00 0.00 C ATOM 420 C ASP A 32 6.141 13.006 7.468 1.00 0.00 C ATOM 421 O ASP A 32 5.549 12.717 8.508 1.00 0.00 O ATOM 422 CB ASP A 32 6.582 15.468 7.433 1.00 0.00 C ATOM 423 CG ASP A 32 7.504 16.541 7.978 1.00 0.00 C ATOM 424 OD1 ASP A 32 7.908 16.435 9.155 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.821 17.487 7.227 1.00 0.00 O ATOM 0 H ASP A 32 8.029 14.642 5.604 1.00 0.00 H new ATOM 0 HA ASP A 32 7.820 13.979 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.303 15.718 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.663 15.450 8.019 1.00 0.00 H new ATOM 430 N MET A 33 5.887 12.417 6.303 1.00 0.00 N ATOM 431 CA MET A 33 4.875 11.375 6.179 1.00 0.00 C ATOM 432 C MET A 33 5.266 10.139 6.983 1.00 0.00 C ATOM 433 O MET A 33 6.404 10.016 7.436 1.00 0.00 O ATOM 434 CB MET A 33 4.676 10.999 4.710 1.00 0.00 C ATOM 435 CG MET A 33 3.842 12.006 3.933 1.00 0.00 C ATOM 436 SD MET A 33 3.812 11.664 2.163 1.00 0.00 S ATOM 437 CE MET A 33 3.093 10.024 2.147 1.00 0.00 C ATOM 0 H MET A 33 6.368 12.644 5.433 1.00 0.00 H new ATOM 0 HA MET A 33 3.938 11.765 6.577 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.651 10.902 4.233 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.196 10.022 4.655 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.822 12.001 4.317 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.240 13.007 4.099 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.748 9.788 1.140 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.843 9.295 2.454 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.250 9.990 2.837 1.00 0.00 H new ATOM 447 N SER A 34 4.316 9.225 7.157 1.00 0.00 N ATOM 448 CA SER A 34 4.561 8.001 7.909 1.00 0.00 C ATOM 449 C SER A 34 3.566 6.913 7.516 1.00 0.00 C ATOM 450 O SER A 34 2.357 7.074 7.680 1.00 0.00 O ATOM 451 CB SER A 34 4.468 8.274 9.412 1.00 0.00 C ATOM 452 OG SER A 34 5.379 9.286 9.804 1.00 0.00 O ATOM 0 H SER A 34 3.369 9.310 6.787 1.00 0.00 H new ATOM 0 HA SER A 34 5.566 7.653 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.452 8.576 9.668 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.677 7.358 9.965 1.00 0.00 H new ATOM 0 HG SER A 34 6.044 9.419 9.097 1.00 0.00 H new ATOM 458 N ALA A 35 4.085 5.806 6.996 1.00 0.00 N ATOM 459 CA ALA A 35 3.244 4.690 6.581 1.00 0.00 C ATOM 460 C ALA A 35 3.601 3.419 7.345 1.00 0.00 C ATOM 461 O ALA A 35 4.749 3.227 7.747 1.00 0.00 O ATOM 462 CB ALA A 35 3.373 4.461 5.082 1.00 0.00 C ATOM 0 H ALA A 35 5.084 5.658 6.852 1.00 0.00 H new ATOM 0 HA ALA A 35 2.209 4.942 6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.740 3.625 4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.061 5.359 4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.411 4.235 4.836 1.00 0.00 H new ATOM 468 N HIS A 36 2.611 2.555 7.541 1.00 0.00 N ATOM 469 CA HIS A 36 2.821 1.302 8.258 1.00 0.00 C ATOM 470 C HIS A 36 1.943 0.194 7.683 1.00 0.00 C ATOM 471 O HIS A 36 0.739 0.372 7.503 1.00 0.00 O ATOM 472 CB HIS A 36 2.523 1.484 9.746 1.00 0.00 C ATOM 473 CG HIS A 36 3.275 2.618 10.373 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.684 3.816 10.714 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.578 2.730 10.722 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.591 4.617 11.244 1.00 0.00 C ATOM 477 NE2 HIS A 36 4.749 3.981 11.260 1.00 0.00 N ATOM 0 H HIS A 36 1.656 2.699 7.214 1.00 0.00 H new ATOM 0 HA HIS A 36 3.865 1.014 8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.454 1.652 9.876 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.767 0.561 10.273 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.341 1.975 10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.416 5.620 11.603 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.628 4.359 11.615 1.00 0.00 H new ATOM 486 N VAL A 37 2.555 -0.951 7.398 1.00 0.00 N ATOM 487 CA VAL A 37 1.830 -2.089 6.844 1.00 0.00 C ATOM 488 C VAL A 37 1.376 -3.040 7.945 1.00 0.00 C ATOM 489 O VAL A 37 2.143 -3.887 8.405 1.00 0.00 O ATOM 490 CB VAL A 37 2.693 -2.866 5.832 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.993 -4.148 5.408 1.00 0.00 C ATOM 492 CG2 VAL A 37 3.010 -1.997 4.625 1.00 0.00 C ATOM 0 H VAL A 37 3.551 -1.115 7.542 1.00 0.00 H new ATOM 0 HA VAL A 37 0.956 -1.688 6.331 1.00 0.00 H new ATOM 0 HB VAL A 37 3.633 -3.136 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.617 -4.684 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.822 -4.776 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.037 -3.904 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.620 -2.562 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.082 -1.695 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.556 -1.110 4.948 1.00 0.00 H new ATOM 502 N THR A 38 0.123 -2.896 8.365 1.00 0.00 N ATOM 503 CA THR A 38 -0.434 -3.742 9.413 1.00 0.00 C ATOM 504 C THR A 38 -1.017 -5.025 8.833 1.00 0.00 C ATOM 505 O THR A 38 -1.860 -4.985 7.936 1.00 0.00 O ATOM 506 CB THR A 38 -1.530 -3.005 10.206 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.097 -1.678 10.525 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.869 -3.755 11.485 1.00 0.00 C ATOM 0 H THR A 38 -0.525 -2.201 7.995 1.00 0.00 H new ATOM 0 HA THR A 38 0.386 -3.992 10.087 1.00 0.00 H new ATOM 0 HB THR A 38 -2.424 -2.954 9.585 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.800 -1.216 11.027 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.645 -3.216 12.028 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.227 -4.754 11.237 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.978 -3.833 12.108 1.00 0.00 H new ATOM 516 N SER A 39 -0.565 -6.162 9.350 1.00 0.00 N ATOM 517 CA SER A 39 -1.040 -7.458 8.880 1.00 0.00 C ATOM 518 C SER A 39 -2.308 -7.873 9.620 1.00 0.00 C ATOM 519 O SER A 39 -2.602 -7.395 10.716 1.00 0.00 O ATOM 520 CB SER A 39 0.044 -8.521 9.068 1.00 0.00 C ATOM 521 OG SER A 39 0.927 -8.550 7.960 1.00 0.00 O ATOM 0 H SER A 39 0.130 -6.213 10.095 1.00 0.00 H new ATOM 0 HA SER A 39 -1.272 -7.369 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.606 -8.315 9.979 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.420 -9.500 9.193 1.00 0.00 H new ATOM 0 HG SER A 39 1.611 -9.236 8.105 1.00 0.00 H new ATOM 527 N PRO A 40 -3.079 -8.784 9.008 1.00 0.00 N ATOM 528 CA PRO A 40 -4.328 -9.284 9.590 1.00 0.00 C ATOM 529 C PRO A 40 -4.086 -10.165 10.811 1.00 0.00 C ATOM 530 O PRO A 40 -5.027 -10.552 11.505 1.00 0.00 O ATOM 531 CB PRO A 40 -4.945 -10.103 8.454 1.00 0.00 C ATOM 532 CG PRO A 40 -3.788 -10.518 7.613 1.00 0.00 C ATOM 533 CD PRO A 40 -2.789 -9.397 7.701 1.00 0.00 C ATOM 0 HA PRO A 40 -4.965 -8.474 9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.485 -10.968 8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.658 -9.510 7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.359 -11.453 7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.096 -10.686 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.765 -9.766 7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.913 -8.684 6.886 1.00 0.00 H new ATOM 541 N SER A 41 -2.820 -10.478 11.068 1.00 0.00 N ATOM 542 CA SER A 41 -2.456 -11.317 12.204 1.00 0.00 C ATOM 543 C SER A 41 -2.130 -10.463 13.427 1.00 0.00 C ATOM 544 O SER A 41 -2.186 -10.937 14.561 1.00 0.00 O ATOM 545 CB SER A 41 -1.258 -12.199 11.850 1.00 0.00 C ATOM 546 OG SER A 41 -0.101 -11.417 11.612 1.00 0.00 O ATOM 0 H SER A 41 -2.030 -10.163 10.505 1.00 0.00 H new ATOM 0 HA SER A 41 -3.308 -11.953 12.443 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.066 -12.900 12.662 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.488 -12.792 10.965 1.00 0.00 H new ATOM 0 HG SER A 41 0.651 -12.005 11.389 1.00 0.00 H new ATOM 552 N GLY A 42 -1.790 -9.201 13.186 1.00 0.00 N ATOM 553 CA GLY A 42 -1.460 -8.301 14.275 1.00 0.00 C ATOM 554 C GLY A 42 -0.022 -7.825 14.219 1.00 0.00 C ATOM 555 O GLY A 42 0.502 -7.293 15.198 1.00 0.00 O ATOM 0 H GLY A 42 -1.737 -8.786 12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.126 -7.439 14.244 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.636 -8.806 15.225 1.00 0.00 H new ATOM 559 N ARG A 43 0.619 -8.018 13.071 1.00 0.00 N ATOM 560 CA ARG A 43 2.007 -7.607 12.892 1.00 0.00 C ATOM 561 C ARG A 43 2.105 -6.433 11.922 1.00 0.00 C ATOM 562 O ARG A 43 1.717 -6.541 10.759 1.00 0.00 O ATOM 563 CB ARG A 43 2.845 -8.779 12.377 1.00 0.00 C ATOM 564 CG ARG A 43 4.337 -8.490 12.339 1.00 0.00 C ATOM 565 CD ARG A 43 5.106 -9.617 11.669 1.00 0.00 C ATOM 566 NE ARG A 43 5.290 -10.760 12.560 1.00 0.00 N ATOM 567 CZ ARG A 43 4.380 -11.713 12.730 1.00 0.00 C ATOM 568 NH1 ARG A 43 3.230 -11.661 12.073 1.00 0.00 N ATOM 569 NH2 ARG A 43 4.621 -12.721 13.559 1.00 0.00 N ATOM 0 H ARG A 43 0.200 -8.456 12.251 1.00 0.00 H new ATOM 0 HA ARG A 43 2.394 -7.290 13.860 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.668 -9.648 13.011 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.509 -9.042 11.374 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.515 -7.558 11.803 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.707 -8.349 13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.573 -9.937 10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.080 -9.249 11.346 1.00 0.00 H new ATOM 0 HE ARG A 43 6.165 -10.830 13.080 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.042 -10.888 11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.533 -12.394 12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.505 -12.764 14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.922 -13.452 13.689 1.00 0.00 H new ATOM 583 N VAL A 44 2.627 -5.312 12.409 1.00 0.00 N ATOM 584 CA VAL A 44 2.778 -4.118 11.587 1.00 0.00 C ATOM 585 C VAL A 44 4.244 -3.726 11.449 1.00 0.00 C ATOM 586 O VAL A 44 5.019 -3.832 12.401 1.00 0.00 O ATOM 587 CB VAL A 44 1.993 -2.930 12.173 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.405 -2.677 13.616 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.201 -1.684 11.325 1.00 0.00 C ATOM 0 H VAL A 44 2.953 -5.206 13.370 1.00 0.00 H new ATOM 0 HA VAL A 44 2.376 -4.359 10.603 1.00 0.00 H new ATOM 0 HB VAL A 44 0.931 -3.177 12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.840 -1.834 14.013 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.200 -3.565 14.214 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.470 -2.450 13.656 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.639 -0.854 11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.261 -1.431 11.303 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.852 -1.872 10.310 1.00 0.00 H new ATOM 599 N THR A 45 4.621 -3.273 10.258 1.00 0.00 N ATOM 600 CA THR A 45 5.996 -2.865 9.995 1.00 0.00 C ATOM 601 C THR A 45 6.048 -1.469 9.386 1.00 0.00 C ATOM 602 O THR A 45 5.015 -0.885 9.060 1.00 0.00 O ATOM 603 CB THR A 45 6.703 -3.853 9.048 1.00 0.00 C ATOM 604 OG1 THR A 45 5.841 -4.186 7.954 1.00 0.00 O ATOM 605 CG2 THR A 45 7.104 -5.120 9.788 1.00 0.00 C ATOM 0 H THR A 45 3.993 -3.179 9.459 1.00 0.00 H new ATOM 0 HA THR A 45 6.513 -2.859 10.954 1.00 0.00 H new ATOM 0 HB THR A 45 7.604 -3.373 8.667 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.299 -4.813 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.601 -5.802 9.098 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.784 -4.867 10.601 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.214 -5.601 10.195 1.00 0.00 H new ATOM 613 N GLU A 46 7.258 -0.939 9.236 1.00 0.00 N ATOM 614 CA GLU A 46 7.444 0.390 8.666 1.00 0.00 C ATOM 615 C GLU A 46 7.605 0.315 7.150 1.00 0.00 C ATOM 616 O GLU A 46 8.375 -0.497 6.637 1.00 0.00 O ATOM 617 CB GLU A 46 8.666 1.070 9.286 1.00 0.00 C ATOM 618 CG GLU A 46 8.908 2.478 8.770 1.00 0.00 C ATOM 619 CD GLU A 46 10.375 2.862 8.786 1.00 0.00 C ATOM 620 OE1 GLU A 46 11.174 2.183 8.108 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.723 3.843 9.477 1.00 0.00 O ATOM 0 H GLU A 46 8.123 -1.409 9.501 1.00 0.00 H new ATOM 0 HA GLU A 46 6.556 0.980 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.541 1.106 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.549 0.463 9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.527 2.558 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.345 3.186 9.378 1.00 0.00 H new ATOM 628 N ALA A 47 6.873 1.166 6.440 1.00 0.00 N ATOM 629 CA ALA A 47 6.935 1.197 4.984 1.00 0.00 C ATOM 630 C ALA A 47 7.931 2.245 4.499 1.00 0.00 C ATOM 631 O ALA A 47 8.300 3.154 5.242 1.00 0.00 O ATOM 632 CB ALA A 47 5.556 1.469 4.402 1.00 0.00 C ATOM 0 H ALA A 47 6.230 1.844 6.849 1.00 0.00 H new ATOM 0 HA ALA A 47 7.277 0.221 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.618 1.489 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.869 0.682 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.192 2.431 4.763 1.00 0.00 H new ATOM 638 N GLU A 48 8.364 2.111 3.249 1.00 0.00 N ATOM 639 CA GLU A 48 9.319 3.046 2.667 1.00 0.00 C ATOM 640 C GLU A 48 8.642 3.944 1.636 1.00 0.00 C ATOM 641 O GLU A 48 7.839 3.481 0.826 1.00 0.00 O ATOM 642 CB GLU A 48 10.478 2.288 2.016 1.00 0.00 C ATOM 643 CG GLU A 48 11.397 3.172 1.192 1.00 0.00 C ATOM 644 CD GLU A 48 12.786 2.584 1.035 1.00 0.00 C ATOM 645 OE1 GLU A 48 13.273 1.946 1.991 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.386 2.762 -0.046 1.00 0.00 O ATOM 0 H GLU A 48 8.068 1.364 2.620 1.00 0.00 H new ATOM 0 HA GLU A 48 9.709 3.672 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.062 1.797 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.074 1.503 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.958 3.326 0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.472 4.151 1.664 1.00 0.00 H new ATOM 653 N ILE A 49 8.971 5.231 1.674 1.00 0.00 N ATOM 654 CA ILE A 49 8.396 6.194 0.744 1.00 0.00 C ATOM 655 C ILE A 49 9.413 6.614 -0.312 1.00 0.00 C ATOM 656 O ILE A 49 10.252 7.481 -0.071 1.00 0.00 O ATOM 657 CB ILE A 49 7.885 7.449 1.476 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.836 7.065 2.521 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.310 8.446 0.481 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.736 8.048 3.667 1.00 0.00 C ATOM 0 H ILE A 49 9.633 5.631 2.339 1.00 0.00 H new ATOM 0 HA ILE A 49 7.555 5.699 0.259 1.00 0.00 H new ATOM 0 HB ILE A 49 8.724 7.920 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.863 6.985 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.075 6.079 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.953 9.327 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.084 8.739 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.481 7.986 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.973 7.712 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.697 8.110 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.466 9.031 3.281 1.00 0.00 H new ATOM 672 N VAL A 50 9.330 5.993 -1.485 1.00 0.00 N ATOM 673 CA VAL A 50 10.242 6.304 -2.580 1.00 0.00 C ATOM 674 C VAL A 50 9.862 7.617 -3.255 1.00 0.00 C ATOM 675 O VAL A 50 8.733 7.806 -3.709 1.00 0.00 O ATOM 676 CB VAL A 50 10.255 5.182 -3.635 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.198 5.532 -4.776 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.646 3.857 -2.997 1.00 0.00 C ATOM 0 H VAL A 50 8.641 5.272 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 50 11.238 6.396 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 50 9.250 5.080 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.194 4.727 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.869 6.457 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.208 5.662 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.650 3.075 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.641 3.943 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.928 3.602 -2.218 1.00 0.00 H new ATOM 688 N PRO A 51 10.826 8.547 -3.325 1.00 0.00 N ATOM 689 CA PRO A 51 10.616 9.859 -3.945 1.00 0.00 C ATOM 690 C PRO A 51 10.460 9.766 -5.459 1.00 0.00 C ATOM 691 O PRO A 51 11.441 9.618 -6.186 1.00 0.00 O ATOM 692 CB PRO A 51 11.890 10.628 -3.585 1.00 0.00 C ATOM 693 CG PRO A 51 12.922 9.575 -3.376 1.00 0.00 C ATOM 694 CD PRO A 51 12.194 8.389 -2.806 1.00 0.00 C ATOM 0 HA PRO A 51 9.700 10.335 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.178 11.312 -4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.749 11.228 -2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.413 9.318 -4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.699 9.920 -2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.641 7.449 -3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.213 8.391 -1.716 1.00 0.00 H new ATOM 702 N MET A 52 9.219 9.856 -5.927 1.00 0.00 N ATOM 703 CA MET A 52 8.935 9.784 -7.356 1.00 0.00 C ATOM 704 C MET A 52 9.268 11.104 -8.044 1.00 0.00 C ATOM 705 O MET A 52 9.895 11.122 -9.103 1.00 0.00 O ATOM 706 CB MET A 52 7.464 9.431 -7.588 1.00 0.00 C ATOM 707 CG MET A 52 7.196 7.936 -7.626 1.00 0.00 C ATOM 708 SD MET A 52 7.632 7.193 -9.211 1.00 0.00 S ATOM 709 CE MET A 52 8.542 5.748 -8.668 1.00 0.00 C ATOM 0 H MET A 52 8.395 9.979 -5.338 1.00 0.00 H new ATOM 0 HA MET A 52 9.561 9.003 -7.787 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.862 9.880 -6.797 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.137 9.874 -8.528 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.763 7.449 -6.832 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.141 7.754 -7.422 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.879 5.183 -9.537 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.405 6.061 -8.081 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.895 5.120 -8.055 1.00 0.00 H new ATOM 719 N GLY A 53 8.845 12.207 -7.434 1.00 0.00 N ATOM 720 CA GLY A 53 9.108 13.516 -8.003 1.00 0.00 C ATOM 721 C GLY A 53 8.156 14.576 -7.484 1.00 0.00 C ATOM 722 O GLY A 53 7.948 14.696 -6.277 1.00 0.00 O ATOM 0 H GLY A 53 8.325 12.218 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.133 13.809 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.027 13.460 -9.089 1.00 0.00 H new ATOM 726 N LYS A 54 7.578 15.348 -8.398 1.00 0.00 N ATOM 727 CA LYS A 54 6.643 16.404 -8.027 1.00 0.00 C ATOM 728 C LYS A 54 5.617 15.893 -7.021 1.00 0.00 C ATOM 729 O LYS A 54 4.596 15.321 -7.398 1.00 0.00 O ATOM 730 CB LYS A 54 5.931 16.942 -9.270 1.00 0.00 C ATOM 731 CG LYS A 54 6.636 18.124 -9.912 1.00 0.00 C ATOM 732 CD LYS A 54 6.427 18.148 -11.417 1.00 0.00 C ATOM 733 CE LYS A 54 5.182 18.935 -11.794 1.00 0.00 C ATOM 734 NZ LYS A 54 5.458 20.394 -11.900 1.00 0.00 N ATOM 0 H LYS A 54 7.741 15.262 -9.401 1.00 0.00 H new ATOM 0 HA LYS A 54 7.210 17.211 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.843 16.140 -10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.918 17.238 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.263 19.051 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.703 18.076 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.298 18.591 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.340 17.127 -11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.795 18.569 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.406 18.766 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.584 20.895 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.803 20.749 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.180 20.559 -12.630 1.00 0.00 H new ATOM 748 N ASN A 55 5.896 16.106 -5.739 1.00 0.00 N ATOM 749 CA ASN A 55 4.996 15.668 -4.678 1.00 0.00 C ATOM 750 C ASN A 55 4.435 14.281 -4.979 1.00 0.00 C ATOM 751 O ASN A 55 3.247 14.024 -4.783 1.00 0.00 O ATOM 752 CB ASN A 55 3.850 16.667 -4.508 1.00 0.00 C ATOM 753 CG ASN A 55 3.346 17.201 -5.836 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.559 16.548 -6.521 1.00 0.00 O ATOM 755 ND2 ASN A 55 3.800 18.393 -6.204 1.00 0.00 N ATOM 0 H ASN A 55 6.738 16.579 -5.410 1.00 0.00 H new ATOM 0 HA ASN A 55 5.566 15.617 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.028 16.186 -3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.186 17.499 -3.889 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.497 18.804 -7.087 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.452 18.898 -5.604 1.00 0.00 H new ATOM 762 N SER A 56 5.300 13.390 -5.454 1.00 0.00 N ATOM 763 CA SER A 56 4.891 12.029 -5.784 1.00 0.00 C ATOM 764 C SER A 56 5.508 11.026 -4.815 1.00 0.00 C ATOM 765 O SER A 56 6.728 10.967 -4.657 1.00 0.00 O ATOM 766 CB SER A 56 5.298 11.686 -7.219 1.00 0.00 C ATOM 767 OG SER A 56 4.618 12.508 -8.152 1.00 0.00 O ATOM 0 H SER A 56 6.287 13.586 -5.619 1.00 0.00 H new ATOM 0 HA SER A 56 3.806 11.971 -5.697 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.374 11.812 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.076 10.638 -7.423 1.00 0.00 H new ATOM 0 HG SER A 56 4.683 13.445 -7.871 1.00 0.00 H new ATOM 773 N HIS A 57 4.656 10.238 -4.167 1.00 0.00 N ATOM 774 CA HIS A 57 5.117 9.236 -3.212 1.00 0.00 C ATOM 775 C HIS A 57 4.748 7.831 -3.679 1.00 0.00 C ATOM 776 O HIS A 57 3.649 7.603 -4.186 1.00 0.00 O ATOM 777 CB HIS A 57 4.515 9.501 -1.832 1.00 0.00 C ATOM 778 CG HIS A 57 4.496 10.950 -1.455 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.536 11.571 -0.796 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.555 11.904 -1.651 1.00 0.00 C ATOM 781 CE1 HIS A 57 5.235 12.842 -0.601 1.00 0.00 C ATOM 782 NE2 HIS A 57 4.038 13.070 -1.111 1.00 0.00 N ATOM 0 H HIS A 57 3.644 10.274 -4.286 1.00 0.00 H new ATOM 0 HA HIS A 57 6.203 9.305 -3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.496 9.115 -1.809 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.083 8.947 -1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.602 11.772 -2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.861 13.571 -0.108 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.552 13.967 -1.105 1.00 0.00 H new ATOM 791 N CYS A 58 5.674 6.894 -3.507 1.00 0.00 N ATOM 792 CA CYS A 58 5.447 5.511 -3.912 1.00 0.00 C ATOM 793 C CYS A 58 5.774 4.550 -2.774 1.00 0.00 C ATOM 794 O CYS A 58 6.942 4.280 -2.492 1.00 0.00 O ATOM 795 CB CYS A 58 6.292 5.173 -5.141 1.00 0.00 C ATOM 796 SG CYS A 58 5.805 3.643 -5.973 1.00 0.00 S ATOM 0 H CYS A 58 6.589 7.067 -3.090 1.00 0.00 H new ATOM 0 HA CYS A 58 4.392 5.400 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.227 5.997 -5.851 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.337 5.094 -4.840 1.00 0.00 H new ATOM 0 HG CYS A 58 6.576 3.444 -7.001 1.00 0.00 H new ATOM 802 N VAL A 59 4.736 4.037 -2.122 1.00 0.00 N ATOM 803 CA VAL A 59 4.913 3.106 -1.014 1.00 0.00 C ATOM 804 C VAL A 59 5.128 1.684 -1.519 1.00 0.00 C ATOM 805 O VAL A 59 4.225 1.075 -2.093 1.00 0.00 O ATOM 806 CB VAL A 59 3.698 3.124 -0.066 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.903 2.149 1.083 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.451 4.531 0.456 1.00 0.00 C ATOM 0 H VAL A 59 3.763 4.250 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 59 5.797 3.431 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 59 2.817 2.809 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.035 2.175 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.027 1.141 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.794 2.431 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.590 4.525 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.330 4.877 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.256 5.201 -0.382 1.00 0.00 H new ATOM 818 N ARG A 60 6.331 1.161 -1.302 1.00 0.00 N ATOM 819 CA ARG A 60 6.666 -0.190 -1.737 1.00 0.00 C ATOM 820 C ARG A 60 6.728 -1.144 -0.548 1.00 0.00 C ATOM 821 O ARG A 60 7.394 -0.866 0.450 1.00 0.00 O ATOM 822 CB ARG A 60 8.004 -0.193 -2.478 1.00 0.00 C ATOM 823 CG ARG A 60 7.879 0.114 -3.962 1.00 0.00 C ATOM 824 CD ARG A 60 9.240 0.149 -4.639 1.00 0.00 C ATOM 825 NE ARG A 60 9.984 -1.092 -4.439 1.00 0.00 N ATOM 826 CZ ARG A 60 11.041 -1.440 -5.163 1.00 0.00 C ATOM 827 NH1 ARG A 60 11.478 -0.644 -6.130 1.00 0.00 N ATOM 828 NH2 ARG A 60 11.665 -2.586 -4.921 1.00 0.00 N ATOM 0 H ARG A 60 7.089 1.652 -0.828 1.00 0.00 H new ATOM 0 HA ARG A 60 5.883 -0.532 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.666 0.541 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.475 -1.168 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.253 -0.640 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.380 1.074 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.109 0.325 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.818 0.985 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 60 9.674 -1.726 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.002 0.238 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.290 -0.914 -6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.333 -3.201 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.477 -2.852 -5.478 1.00 0.00 H new ATOM 842 N PHE A 61 6.030 -2.269 -0.661 1.00 0.00 N ATOM 843 CA PHE A 61 6.005 -3.263 0.406 1.00 0.00 C ATOM 844 C PHE A 61 5.672 -4.646 -0.148 1.00 0.00 C ATOM 845 O PHE A 61 5.167 -4.775 -1.263 1.00 0.00 O ATOM 846 CB PHE A 61 4.984 -2.870 1.475 1.00 0.00 C ATOM 847 CG PHE A 61 3.560 -2.967 1.008 1.00 0.00 C ATOM 848 CD1 PHE A 61 2.987 -4.200 0.740 1.00 0.00 C ATOM 849 CD2 PHE A 61 2.793 -1.825 0.837 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.677 -4.293 0.311 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.482 -1.912 0.409 1.00 0.00 C ATOM 852 CZ PHE A 61 0.924 -3.147 0.144 1.00 0.00 C ATOM 0 H PHE A 61 5.474 -2.515 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 61 6.996 -3.300 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.117 -3.512 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.183 -1.848 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.572 -5.099 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.225 -0.856 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.242 -5.260 0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.894 -1.015 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.100 -3.217 -0.193 1.00 0.00 H new ATOM 862 N VAL A 62 5.959 -5.677 0.641 1.00 0.00 N ATOM 863 CA VAL A 62 5.690 -7.050 0.231 1.00 0.00 C ATOM 864 C VAL A 62 4.596 -7.675 1.090 1.00 0.00 C ATOM 865 O VAL A 62 4.821 -8.071 2.234 1.00 0.00 O ATOM 866 CB VAL A 62 6.957 -7.921 0.319 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.695 -9.305 -0.253 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.116 -7.248 -0.401 1.00 0.00 C ATOM 0 H VAL A 62 6.377 -5.587 1.567 1.00 0.00 H new ATOM 0 HA VAL A 62 5.357 -7.011 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 62 7.227 -8.034 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.602 -9.906 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.896 -9.786 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.399 -9.217 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.003 -7.877 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.858 -7.103 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.318 -6.281 0.060 1.00 0.00 H new ATOM 878 N PRO A 63 3.382 -7.768 0.527 1.00 0.00 N ATOM 879 CA PRO A 63 2.229 -8.346 1.224 1.00 0.00 C ATOM 880 C PRO A 63 2.363 -9.852 1.415 1.00 0.00 C ATOM 881 O PRO A 63 3.376 -10.446 1.048 1.00 0.00 O ATOM 882 CB PRO A 63 1.056 -8.027 0.293 1.00 0.00 C ATOM 883 CG PRO A 63 1.671 -7.891 -1.058 1.00 0.00 C ATOM 884 CD PRO A 63 3.042 -7.316 -0.832 1.00 0.00 C ATOM 0 HA PRO A 63 2.115 -7.941 2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.310 -8.821 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.551 -7.109 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.731 -8.857 -1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.074 -7.238 -1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.758 -7.682 -1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.039 -6.228 -0.905 1.00 0.00 H new ATOM 892 N GLN A 64 1.334 -10.464 1.993 1.00 0.00 N ATOM 893 CA GLN A 64 1.338 -11.903 2.233 1.00 0.00 C ATOM 894 C GLN A 64 0.313 -12.605 1.348 1.00 0.00 C ATOM 895 O GLN A 64 -0.473 -11.957 0.658 1.00 0.00 O ATOM 896 CB GLN A 64 1.045 -12.196 3.705 1.00 0.00 C ATOM 897 CG GLN A 64 2.209 -11.883 4.631 1.00 0.00 C ATOM 898 CD GLN A 64 3.473 -12.629 4.254 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.756 -13.703 4.786 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.242 -12.064 3.330 1.00 0.00 N ATOM 0 H GLN A 64 0.488 -9.987 2.304 1.00 0.00 H new ATOM 0 HA GLN A 64 2.328 -12.285 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.177 -11.615 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.779 -13.248 3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.405 -10.811 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.933 -12.138 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.970 -11.173 2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.105 -12.521 3.035 1.00 0.00 H new ATOM 909 N GLU A 65 0.328 -13.934 1.374 1.00 0.00 N ATOM 910 CA GLU A 65 -0.600 -14.724 0.573 1.00 0.00 C ATOM 911 C GLU A 65 -1.956 -14.835 1.263 1.00 0.00 C ATOM 912 O GLU A 65 -2.038 -15.168 2.445 1.00 0.00 O ATOM 913 CB GLU A 65 -0.029 -16.121 0.320 1.00 0.00 C ATOM 914 CG GLU A 65 0.387 -16.848 1.588 1.00 0.00 C ATOM 915 CD GLU A 65 1.829 -16.576 1.970 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.689 -16.552 1.065 1.00 0.00 O ATOM 917 OE2 GLU A 65 2.097 -16.386 3.175 1.00 0.00 O ATOM 0 H GLU A 65 0.972 -14.486 1.941 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.738 -14.217 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.774 -16.719 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.834 -16.037 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.265 -16.545 2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.248 -17.920 1.450 1.00 0.00 H new ATOM 924 N MET A 66 -3.018 -14.552 0.516 1.00 0.00 N ATOM 925 CA MET A 66 -4.372 -14.620 1.056 1.00 0.00 C ATOM 926 C MET A 66 -4.461 -13.892 2.393 1.00 0.00 C ATOM 927 O MET A 66 -5.167 -14.328 3.302 1.00 0.00 O ATOM 928 CB MET A 66 -4.803 -16.078 1.225 1.00 0.00 C ATOM 929 CG MET A 66 -4.779 -16.873 -0.070 1.00 0.00 C ATOM 930 SD MET A 66 -3.190 -17.670 -0.367 1.00 0.00 S ATOM 931 CE MET A 66 -2.742 -16.955 -1.947 1.00 0.00 C ATOM 0 H MET A 66 -2.968 -14.274 -0.464 1.00 0.00 H new ATOM 0 HA MET A 66 -5.043 -14.130 0.351 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.147 -16.560 1.950 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.811 -16.105 1.639 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.561 -17.631 -0.041 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.009 -16.209 -0.903 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.863 -17.466 -2.341 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.571 -17.068 -2.646 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.518 -15.896 -1.817 1.00 0.00 H new ATOM 941 N GLY A 67 -3.740 -12.780 2.507 1.00 0.00 N ATOM 942 CA GLY A 67 -3.752 -12.011 3.737 1.00 0.00 C ATOM 943 C GLY A 67 -4.209 -10.582 3.522 1.00 0.00 C ATOM 944 O GLY A 67 -3.717 -9.892 2.630 1.00 0.00 O ATOM 0 H GLY A 67 -3.148 -12.399 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.410 -12.495 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.752 -12.008 4.170 1.00 0.00 H new ATOM 948 N VAL A 68 -5.156 -10.135 4.342 1.00 0.00 N ATOM 949 CA VAL A 68 -5.681 -8.779 4.237 1.00 0.00 C ATOM 950 C VAL A 68 -4.900 -7.818 5.126 1.00 0.00 C ATOM 951 O VAL A 68 -4.957 -7.904 6.353 1.00 0.00 O ATOM 952 CB VAL A 68 -7.171 -8.722 4.623 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.691 -7.295 4.537 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.986 -9.650 3.735 1.00 0.00 C ATOM 0 H VAL A 68 -5.575 -10.693 5.086 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.572 -8.477 3.195 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.275 -9.059 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.745 -7.275 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.125 -6.660 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.576 -6.927 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.036 -9.598 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.878 -9.345 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.628 -10.673 3.853 1.00 0.00 H new ATOM 964 N HIS A 69 -4.170 -6.900 4.499 1.00 0.00 N ATOM 965 CA HIS A 69 -3.377 -5.921 5.233 1.00 0.00 C ATOM 966 C HIS A 69 -4.040 -4.547 5.195 1.00 0.00 C ATOM 967 O HIS A 69 -5.000 -4.329 4.455 1.00 0.00 O ATOM 968 CB HIS A 69 -1.966 -5.836 4.651 1.00 0.00 C ATOM 969 CG HIS A 69 -1.334 -7.173 4.416 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.921 -8.159 3.652 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.157 -7.684 4.847 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.134 -9.220 3.625 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.057 -8.957 4.342 1.00 0.00 N ATOM 0 H HIS A 69 -4.112 -6.814 3.484 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.314 -6.246 6.271 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.003 -5.290 3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.336 -5.260 5.329 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.822 -8.082 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.568 -7.184 5.472 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.337 -10.145 3.105 1.00 0.00 H new ATOM 982 N THR A 70 -3.521 -3.622 5.997 1.00 0.00 N ATOM 983 CA THR A 70 -4.063 -2.270 6.056 1.00 0.00 C ATOM 984 C THR A 70 -2.948 -1.234 6.130 1.00 0.00 C ATOM 985 O THR A 70 -2.079 -1.304 6.999 1.00 0.00 O ATOM 986 CB THR A 70 -4.997 -2.092 7.268 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.891 -3.206 7.366 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.796 -0.803 7.150 1.00 0.00 C ATOM 0 H THR A 70 -2.726 -3.785 6.615 1.00 0.00 H new ATOM 0 HA THR A 70 -4.635 -2.118 5.141 1.00 0.00 H new ATOM 0 HB THR A 70 -4.383 -2.040 8.167 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.480 -3.086 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.448 -0.699 8.017 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.113 0.046 7.105 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.400 -0.831 6.243 1.00 0.00 H new ATOM 996 N VAL A 71 -2.980 -0.271 5.215 1.00 0.00 N ATOM 997 CA VAL A 71 -1.972 0.783 5.178 1.00 0.00 C ATOM 998 C VAL A 71 -2.381 1.965 6.050 1.00 0.00 C ATOM 999 O VAL A 71 -3.276 2.731 5.695 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.731 1.279 3.740 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.637 2.335 3.716 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.380 0.114 2.827 1.00 0.00 C ATOM 0 H VAL A 71 -3.693 -0.198 4.489 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.049 0.352 5.565 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.650 1.735 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.481 2.674 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.934 3.181 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.289 1.909 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.213 0.482 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.475 -0.373 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.200 -0.604 2.821 1.00 0.00 H new ATOM 1012 N SER A 72 -1.718 2.106 7.193 1.00 0.00 N ATOM 1013 CA SER A 72 -2.014 3.194 8.119 1.00 0.00 C ATOM 1014 C SER A 72 -1.118 4.398 7.847 1.00 0.00 C ATOM 1015 O SER A 72 0.061 4.402 8.202 1.00 0.00 O ATOM 1016 CB SER A 72 -1.834 2.725 9.564 1.00 0.00 C ATOM 1017 OG SER A 72 -2.742 1.685 9.880 1.00 0.00 O ATOM 0 H SER A 72 -0.973 1.481 7.500 1.00 0.00 H new ATOM 0 HA SER A 72 -3.051 3.494 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.812 2.377 9.712 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.986 3.564 10.243 1.00 0.00 H new ATOM 0 HG SER A 72 -2.605 1.402 10.808 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.686 5.420 7.214 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.940 6.631 6.895 1.00 0.00 C ATOM 1025 C VAL A 73 -1.362 7.789 7.792 1.00 0.00 C ATOM 1026 O VAL A 73 -2.379 8.439 7.549 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.136 7.039 5.423 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.380 8.324 5.119 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.692 5.918 4.496 1.00 0.00 C ATOM 0 H VAL A 73 -2.660 5.433 6.912 1.00 0.00 H new ATOM 0 HA VAL A 73 0.113 6.408 7.066 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.197 7.221 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.531 8.596 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.750 9.124 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.683 8.173 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.838 6.224 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.363 5.702 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.283 5.024 4.697 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.573 8.043 8.831 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.862 9.124 9.765 1.00 0.00 C ATOM 1041 C LYS A 74 0.118 10.278 9.583 1.00 0.00 C ATOM 1042 O LYS A 74 1.256 10.077 9.158 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.800 8.611 11.206 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.129 8.090 11.724 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.204 8.162 13.240 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.633 8.366 13.718 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.768 8.123 15.181 1.00 0.00 N ATOM 0 H LYS A 74 0.272 7.514 9.047 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.868 9.489 9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.058 7.815 11.268 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.457 9.417 11.855 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.943 8.672 11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.267 7.058 11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.803 7.244 13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.579 8.980 13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.951 9.383 13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.297 7.693 13.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.756 8.272 15.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.488 7.145 15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.154 8.782 15.701 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.330 11.486 9.907 1.00 0.00 N ATOM 1062 CA TYR A 75 0.508 12.672 9.777 1.00 0.00 C ATOM 1063 C TYR A 75 0.326 13.601 10.974 1.00 0.00 C ATOM 1064 O TYR A 75 -0.730 14.210 11.147 1.00 0.00 O ATOM 1065 CB TYR A 75 0.176 13.418 8.484 1.00 0.00 C ATOM 1066 CG TYR A 75 0.789 14.798 8.406 1.00 0.00 C ATOM 1067 CD1 TYR A 75 2.082 14.979 7.929 1.00 0.00 C ATOM 1068 CD2 TYR A 75 0.077 15.920 8.811 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.646 16.238 7.857 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.633 17.183 8.741 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.918 17.337 8.263 1.00 0.00 C ATOM 1072 OH TYR A 75 2.476 18.592 8.193 1.00 0.00 O ATOM 0 H TYR A 75 -1.269 11.670 10.262 1.00 0.00 H new ATOM 0 HA TYR A 75 1.548 12.349 9.745 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.521 12.828 7.635 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.907 13.505 8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.655 14.121 7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.929 15.803 9.187 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.652 16.361 7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.065 18.045 9.059 1.00 0.00 H new ATOM 0 HH TYR A 75 1.831 19.255 8.516 1.00 0.00 H new ATOM 1082 N ARG A 76 1.365 13.704 11.797 1.00 0.00 N ATOM 1083 CA ARG A 76 1.321 14.558 12.979 1.00 0.00 C ATOM 1084 C ARG A 76 0.170 14.156 13.897 1.00 0.00 C ATOM 1085 O ARG A 76 -0.362 14.981 14.638 1.00 0.00 O ATOM 1086 CB ARG A 76 1.173 16.024 12.569 1.00 0.00 C ATOM 1087 CG ARG A 76 2.501 16.736 12.365 1.00 0.00 C ATOM 1088 CD ARG A 76 2.391 18.220 12.676 1.00 0.00 C ATOM 1089 NE ARG A 76 2.474 18.487 14.109 1.00 0.00 N ATOM 1090 CZ ARG A 76 2.237 19.677 14.650 1.00 0.00 C ATOM 1091 NH1 ARG A 76 1.903 20.704 13.881 1.00 0.00 N ATOM 1092 NH2 ARG A 76 2.333 19.841 15.963 1.00 0.00 N ATOM 0 H ARG A 76 2.247 13.207 11.667 1.00 0.00 H new ATOM 0 HA ARG A 76 2.257 14.433 13.523 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.596 16.078 11.646 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.602 16.551 13.333 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.259 16.284 13.005 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.832 16.603 11.335 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.186 18.758 12.160 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.446 18.602 12.290 1.00 0.00 H new ATOM 0 HE ARG A 76 2.728 17.718 14.729 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.827 20.582 12.871 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.722 21.616 14.299 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.589 19.053 16.558 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.151 20.755 16.377 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.209 12.883 13.841 1.00 0.00 N ATOM 1107 CA GLY A 77 -1.295 12.395 14.671 1.00 0.00 C ATOM 1108 C GLY A 77 -2.654 12.619 14.039 1.00 0.00 C ATOM 1109 O GLY A 77 -3.617 12.955 14.727 1.00 0.00 O ATOM 0 H GLY A 77 0.217 12.181 13.236 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.156 11.330 14.857 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.261 12.895 15.639 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.732 12.433 12.725 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.983 12.620 12.000 1.00 0.00 C ATOM 1115 C GLN A 78 -4.030 11.736 10.758 1.00 0.00 C ATOM 1116 O GLN A 78 -3.119 11.763 9.930 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.154 14.087 11.604 1.00 0.00 C ATOM 1118 CG GLN A 78 -3.584 14.417 10.233 1.00 0.00 C ATOM 1119 CD GLN A 78 -3.346 15.902 10.042 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -3.211 16.651 11.011 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -3.293 16.337 8.789 1.00 0.00 N ATOM 0 H GLN A 78 -1.944 12.153 12.141 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.802 12.332 12.659 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.215 14.337 11.617 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.669 14.715 12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.644 13.882 10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.269 14.061 9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.410 15.682 8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.135 17.327 8.599 1.00 0.00 H new ATOM 1130 N HIS A 79 -5.096 10.952 10.635 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.262 10.060 9.493 1.00 0.00 C ATOM 1132 C HIS A 79 -5.620 10.847 8.236 1.00 0.00 C ATOM 1133 O HIS A 79 -6.616 11.569 8.206 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.345 9.021 9.784 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.833 7.804 10.491 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.866 6.976 9.961 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -6.158 7.278 11.695 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.619 5.992 10.808 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.390 6.152 11.868 1.00 0.00 N ATOM 0 H HIS A 79 -5.858 10.916 11.312 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.315 9.549 9.322 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.125 9.482 10.390 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.808 8.718 8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.885 7.670 12.390 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.908 5.193 10.659 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.412 5.539 12.683 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.799 10.703 7.200 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.029 11.400 5.940 1.00 0.00 C ATOM 1150 C VAL A 80 -6.367 11.001 5.327 1.00 0.00 C ATOM 1151 O VAL A 80 -7.043 10.096 5.819 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.906 11.112 4.926 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.582 11.673 5.421 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.797 9.617 4.663 1.00 0.00 C ATOM 0 H VAL A 80 -3.969 10.110 7.209 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.040 12.466 6.166 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.153 11.606 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.801 11.460 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.670 12.751 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.324 11.211 6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.999 9.431 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.574 9.099 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.741 9.249 4.260 1.00 0.00 H new ATOM 1164 N THR A 81 -6.745 11.680 4.249 1.00 0.00 N ATOM 1165 CA THR A 81 -8.002 11.398 3.569 1.00 0.00 C ATOM 1166 C THR A 81 -7.978 10.019 2.919 1.00 0.00 C ATOM 1167 O THR A 81 -7.165 9.752 2.035 1.00 0.00 O ATOM 1168 CB THR A 81 -8.308 12.455 2.491 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.338 13.760 3.079 1.00 0.00 O ATOM 1170 CG2 THR A 81 -9.639 12.167 1.813 1.00 0.00 C ATOM 0 H THR A 81 -6.197 12.430 3.828 1.00 0.00 H new ATOM 0 HA THR A 81 -8.784 11.426 4.327 1.00 0.00 H new ATOM 0 HB THR A 81 -7.520 12.414 1.739 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.531 14.426 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.834 12.927 1.056 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.602 11.185 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.437 12.183 2.556 1.00 0.00 H new ATOM 1178 N GLY A 82 -8.875 9.144 3.364 1.00 0.00 N ATOM 1179 CA GLY A 82 -8.940 7.803 2.814 1.00 0.00 C ATOM 1180 C GLY A 82 -8.342 6.766 3.744 1.00 0.00 C ATOM 1181 O GLY A 82 -8.915 5.695 3.941 1.00 0.00 O ATOM 0 H GLY A 82 -9.558 9.340 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.980 7.547 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.413 7.779 1.860 1.00 0.00 H new ATOM 1185 N SER A 83 -7.184 7.083 4.315 1.00 0.00 N ATOM 1186 CA SER A 83 -6.505 6.168 5.225 1.00 0.00 C ATOM 1187 C SER A 83 -7.288 6.014 6.526 1.00 0.00 C ATOM 1188 O SER A 83 -8.010 6.913 6.956 1.00 0.00 O ATOM 1189 CB SER A 83 -5.091 6.669 5.525 1.00 0.00 C ATOM 1190 OG SER A 83 -5.112 7.714 6.481 1.00 0.00 O ATOM 0 H SER A 83 -6.697 7.966 4.163 1.00 0.00 H new ATOM 0 HA SER A 83 -6.443 5.193 4.741 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.481 5.845 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.624 7.023 4.606 1.00 0.00 H new ATOM 0 HG SER A 83 -5.750 8.402 6.199 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.143 4.845 7.168 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.286 3.767 6.665 1.00 0.00 C ATOM 1198 C PRO A 84 -6.851 3.117 5.406 1.00 0.00 C ATOM 1199 O PRO A 84 -8.066 2.985 5.255 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.264 2.763 7.821 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.531 3.013 8.564 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.803 4.486 8.434 1.00 0.00 C ATOM 0 HA PRO A 84 -5.299 4.131 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.216 1.738 7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.394 2.914 8.460 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.350 2.427 8.147 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.433 2.725 9.611 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.872 4.696 8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.392 5.046 9.274 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.962 2.712 4.505 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.373 2.076 3.259 1.00 0.00 C ATOM 1212 C PHE A 85 -6.244 0.558 3.354 1.00 0.00 C ATOM 1213 O PHE A 85 -5.141 0.026 3.475 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.530 2.598 2.093 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.682 4.074 1.858 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.749 4.566 1.125 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.757 4.969 2.371 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.890 5.923 0.907 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.893 6.327 2.157 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.962 6.805 1.424 1.00 0.00 C ATOM 0 H PHE A 85 -4.953 2.813 4.614 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.420 2.324 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.481 2.375 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.809 2.063 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.479 3.881 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.920 4.601 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.726 6.294 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.165 7.014 2.562 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.072 7.866 1.256 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.379 -0.131 3.300 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.393 -1.587 3.382 1.00 0.00 C ATOM 1232 C GLN A 86 -7.344 -2.210 1.991 1.00 0.00 C ATOM 1233 O GLN A 86 -7.905 -1.671 1.037 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.642 -2.065 4.124 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.465 -3.409 4.811 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.778 -4.138 5.017 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.280 -4.804 4.111 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.342 -4.015 6.212 1.00 0.00 N ATOM 0 H GLN A 86 -8.300 0.295 3.200 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.508 -1.904 3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.919 -1.319 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.470 -2.133 3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.798 -4.032 4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.982 -3.258 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.891 -3.453 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.227 -4.483 6.409 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.669 -3.350 1.882 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.545 -4.047 0.608 1.00 0.00 C ATOM 1249 C PHE A 87 -6.354 -5.545 0.823 1.00 0.00 C ATOM 1250 O PHE A 87 -5.713 -5.970 1.786 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.372 -3.482 -0.195 1.00 0.00 C ATOM 1252 CG PHE A 87 -4.030 -3.792 0.405 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.501 -5.070 0.327 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.299 -2.806 1.046 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.267 -5.358 0.879 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -2.064 -3.088 1.600 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.547 -4.366 1.515 1.00 0.00 C ATOM 0 H PHE A 87 -6.199 -3.810 2.662 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.467 -3.893 0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.409 -3.882 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.484 -2.401 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.059 -5.850 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.698 -1.805 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.866 -6.359 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.504 -2.310 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.582 -4.589 1.945 1.00 0.00 H new ATOM 1267 N THR A 88 -6.914 -6.344 -0.080 1.00 0.00 N ATOM 1268 CA THR A 88 -6.807 -7.794 0.011 1.00 0.00 C ATOM 1269 C THR A 88 -5.850 -8.342 -1.041 1.00 0.00 C ATOM 1270 O THR A 88 -5.851 -7.896 -2.189 1.00 0.00 O ATOM 1271 CB THR A 88 -8.181 -8.471 -0.159 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.128 -7.892 0.746 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.082 -9.968 0.091 1.00 0.00 C ATOM 0 H THR A 88 -7.447 -6.010 -0.883 1.00 0.00 H new ATOM 0 HA THR A 88 -6.419 -8.020 1.004 1.00 0.00 H new ATOM 0 HB THR A 88 -8.515 -8.312 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.999 -8.326 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.064 -10.424 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.383 -10.410 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.728 -10.145 1.107 1.00 0.00 H new ATOM 1281 N VAL A 89 -5.034 -9.313 -0.644 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.072 -9.923 -1.554 1.00 0.00 C ATOM 1283 C VAL A 89 -4.571 -11.274 -2.056 1.00 0.00 C ATOM 1284 O VAL A 89 -5.267 -11.995 -1.342 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.702 -10.115 -0.876 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.783 -10.948 -1.756 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.072 -8.767 -0.560 1.00 0.00 C ATOM 0 H VAL A 89 -5.020 -9.694 0.302 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.960 -9.243 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.851 -10.650 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.820 -11.073 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.232 -11.926 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.637 -10.443 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.105 -8.921 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.935 -8.204 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.724 -8.209 0.111 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.209 -11.610 -3.290 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.629 -12.874 -3.868 1.00 0.00 C ATOM 1299 C GLY A 90 -3.456 -13.748 -4.264 1.00 0.00 C ATOM 1300 O GLY A 90 -2.345 -13.602 -3.754 1.00 0.00 O ATOM 0 H GLY A 90 -3.633 -11.030 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.251 -13.409 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.247 -12.682 -4.745 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.698 -14.684 -5.194 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.665 -15.605 -5.677 1.00 0.00 C ATOM 1306 C PRO A 91 -1.609 -14.900 -6.522 1.00 0.00 C ATOM 1307 O PRO A 91 -1.926 -14.018 -7.321 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.452 -16.604 -6.530 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.663 -15.856 -6.969 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.999 -14.915 -5.845 1.00 0.00 C ATOM 0 HA PRO A 91 -2.113 -16.065 -4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.866 -16.944 -7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.721 -17.490 -5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.470 -15.309 -7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.491 -16.536 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.434 -13.986 -6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.721 -15.353 -5.156 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.353 -15.293 -6.339 1.00 0.00 N ATOM 1319 CA LEU A 92 0.751 -14.699 -7.085 1.00 0.00 C ATOM 1320 C LEU A 92 0.457 -14.696 -8.582 1.00 0.00 C ATOM 1321 O LEU A 92 1.059 -13.938 -9.342 1.00 0.00 O ATOM 1322 CB LEU A 92 2.048 -15.461 -6.809 1.00 0.00 C ATOM 1323 CG LEU A 92 2.032 -16.954 -7.141 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.441 -17.452 -7.422 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.401 -17.746 -6.005 1.00 0.00 C ATOM 0 H LEU A 92 -0.074 -16.020 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 92 0.867 -13.667 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.850 -14.991 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.296 -15.346 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 92 1.430 -17.102 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.411 -18.516 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.858 -16.906 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.066 -17.292 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.398 -18.806 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.976 -17.593 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.377 -17.407 -5.850 1.00 0.00 H new