USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot -49:sc=0.000398 USER MOD Set 1.2: A 111 TYR OH : rot 30:sc=0.000874 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0.503 USER MOD Set 2.2: A 77 SER OG : rot 103:sc= 1.13 USER MOD Set 3.1: A 30 SER OG : rot -20:sc= 0.547 USER MOD Set 3.2: A 33 SER OG : rot -130:sc= -2.1 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0703 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.13! C(o=-2.1!,f=-11!) USER MOD Single : A 49 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0477 USER MOD Single : A 69 SER OG : rot 180:sc= -0.713 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= -0.0526 (180deg=-0.54) USER MOD Single : A 88 SER OG : rot 180:sc= -0.675 USER MOD Single : A 89 TYR OH : rot -148:sc= -0.48 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.74! C(o=-6.7!,f=-22!) USER MOD Single : A 98 MET CE :methyl -161:sc= -0.0143 (180deg=-0.558) USER MOD Single : A 102 SER OG : rot 180:sc= 1.01 USER MOD Single : A 105 SER OG : rot 80:sc= 0.681 USER MOD Single : A 108 SER OG : rot 85:sc= -0.67 USER MOD Single : A 114 SER OG : rot -56:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.424 -13.126 -2.574 1.00 0.00 N ATOM 170 CA LEU A 15 -19.072 -12.946 -2.055 1.00 0.00 C ATOM 171 C LEU A 15 -18.847 -11.503 -1.611 1.00 0.00 C ATOM 172 O LEU A 15 -19.767 -10.686 -1.637 1.00 0.00 O ATOM 173 CB LEU A 15 -18.041 -13.331 -3.117 1.00 0.00 C ATOM 174 CG LEU A 15 -17.653 -14.810 -3.171 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.148 -15.179 -4.556 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.602 -15.123 -2.115 1.00 0.00 C ATOM 0 HA LEU A 15 -18.952 -13.597 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.430 -13.042 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.138 -12.745 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.540 -15.408 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.877 -16.235 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.931 -14.992 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.273 -14.575 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.337 -16.179 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.714 -14.517 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.001 -14.897 -1.126 1.00 0.00 H new ATOM 188 N SER A 16 -17.618 -11.199 -1.209 1.00 0.00 N ATOM 189 CA SER A 16 -17.274 -9.854 -0.758 1.00 0.00 C ATOM 190 C SER A 16 -15.881 -9.460 -1.243 1.00 0.00 C ATOM 191 O SER A 16 -15.067 -10.301 -1.625 1.00 0.00 O ATOM 192 CB SER A 16 -17.336 -9.773 0.768 1.00 0.00 C ATOM 193 OG SER A 16 -18.623 -9.377 1.205 1.00 0.00 O ATOM 0 H SER A 16 -16.844 -11.863 -1.186 1.00 0.00 H new ATOM 0 HA SER A 16 -17.999 -9.158 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.085 -10.743 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.592 -9.063 1.128 1.00 0.00 H new ATOM 0 HG SER A 16 -18.637 -9.334 2.184 1.00 0.00 H new ATOM 199 N PRO A 17 -15.600 -8.148 -1.229 1.00 0.00 N ATOM 200 CA PRO A 17 -14.307 -7.611 -1.664 1.00 0.00 C ATOM 201 C PRO A 17 -13.180 -7.964 -0.699 1.00 0.00 C ATOM 202 O PRO A 17 -13.407 -8.460 0.405 1.00 0.00 O ATOM 203 CB PRO A 17 -14.541 -6.099 -1.685 1.00 0.00 C ATOM 204 CG PRO A 17 -15.644 -5.872 -0.708 1.00 0.00 C ATOM 205 CD PRO A 17 -16.523 -7.089 -0.787 1.00 0.00 C ATOM 0 HA PRO A 17 -13.996 -8.021 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.641 -5.555 -1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.818 -5.755 -2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.251 -5.739 0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.204 -4.970 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.972 -7.324 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.341 -6.949 -1.493 1.00 0.00 H new ATOM 213 N PRO A 18 -11.934 -7.699 -1.122 1.00 0.00 N ATOM 214 CA PRO A 18 -10.747 -7.980 -0.309 1.00 0.00 C ATOM 215 C PRO A 18 -10.639 -7.054 0.897 1.00 0.00 C ATOM 216 O PRO A 18 -11.228 -5.974 0.917 1.00 0.00 O ATOM 217 CB PRO A 18 -9.588 -7.734 -1.279 1.00 0.00 C ATOM 218 CG PRO A 18 -10.130 -6.774 -2.282 1.00 0.00 C ATOM 219 CD PRO A 18 -11.590 -7.107 -2.425 1.00 0.00 C ATOM 0 HA PRO A 18 -10.766 -8.987 0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.721 -7.320 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.265 -8.661 -1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.995 -5.745 -1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.612 -6.872 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.186 -6.219 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.764 -7.806 -3.243 1.00 0.00 H new ATOM 227 N GLU A 19 -9.880 -7.484 1.901 1.00 0.00 N ATOM 228 CA GLU A 19 -9.696 -6.692 3.111 1.00 0.00 C ATOM 229 C GLU A 19 -8.346 -5.979 3.096 1.00 0.00 C ATOM 230 O GLU A 19 -7.467 -6.311 2.300 1.00 0.00 O ATOM 231 CB GLU A 19 -9.800 -7.582 4.351 1.00 0.00 C ATOM 232 CG GLU A 19 -8.528 -8.356 4.654 1.00 0.00 C ATOM 233 CD GLU A 19 -8.565 -9.033 6.011 1.00 0.00 C ATOM 234 OE1 GLU A 19 -9.670 -9.407 6.456 1.00 0.00 O ATOM 235 OE2 GLU A 19 -7.490 -9.187 6.627 1.00 0.00 O ATOM 0 H GLU A 19 -9.384 -8.375 1.900 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.484 -5.940 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.052 -6.963 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.620 -8.287 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.372 -9.109 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.676 -7.677 4.614 1.00 0.00 H new ATOM 242 N ALA A 20 -8.190 -5.001 3.980 1.00 0.00 N ATOM 243 CA ALA A 20 -6.948 -4.243 4.070 1.00 0.00 C ATOM 244 C ALA A 20 -5.771 -5.154 4.399 1.00 0.00 C ATOM 245 O ALA A 20 -5.745 -5.829 5.429 1.00 0.00 O ATOM 246 CB ALA A 20 -7.074 -3.143 5.113 1.00 0.00 C ATOM 0 H ALA A 20 -8.908 -4.714 4.645 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.760 -3.787 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.139 -2.586 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.883 -2.468 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.291 -3.586 6.085 1.00 0.00 H new ATOM 252 N PRO A 21 -4.771 -5.178 3.505 1.00 0.00 N ATOM 253 CA PRO A 21 -3.572 -6.004 3.679 1.00 0.00 C ATOM 254 C PRO A 21 -2.681 -5.500 4.809 1.00 0.00 C ATOM 255 O PRO A 21 -2.853 -4.383 5.298 1.00 0.00 O ATOM 256 CB PRO A 21 -2.854 -5.875 2.333 1.00 0.00 C ATOM 257 CG PRO A 21 -3.317 -4.572 1.780 1.00 0.00 C ATOM 258 CD PRO A 21 -4.734 -4.400 2.255 1.00 0.00 C ATOM 0 HA PRO A 21 -3.819 -7.031 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.771 -5.889 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.109 -6.700 1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.687 -3.754 2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.268 -4.571 0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.976 -3.351 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.451 -4.777 1.526 1.00 0.00 H new ATOM 266 N ASP A 22 -1.728 -6.331 5.219 1.00 0.00 N ATOM 267 CA ASP A 22 -0.808 -5.968 6.291 1.00 0.00 C ATOM 268 C ASP A 22 -0.146 -4.623 6.009 1.00 0.00 C ATOM 269 O ASP A 22 -0.307 -4.057 4.927 1.00 0.00 O ATOM 270 CB ASP A 22 0.260 -7.049 6.463 1.00 0.00 C ATOM 271 CG ASP A 22 0.752 -7.156 7.893 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.039 -6.683 8.801 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.852 -7.710 8.102 1.00 0.00 O ATOM 0 H ASP A 22 -1.573 -7.259 4.826 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.381 -5.883 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.147 -8.010 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.103 -6.830 5.807 1.00 0.00 H new ATOM 278 N ARG A 23 0.595 -4.116 6.988 1.00 0.00 N ATOM 279 CA ARG A 23 1.279 -2.836 6.845 1.00 0.00 C ATOM 280 C ARG A 23 2.569 -2.996 6.047 1.00 0.00 C ATOM 281 O ARG A 23 3.454 -3.775 6.401 1.00 0.00 O ATOM 282 CB ARG A 23 1.587 -2.242 8.220 1.00 0.00 C ATOM 283 CG ARG A 23 2.003 -0.781 8.174 1.00 0.00 C ATOM 284 CD ARG A 23 2.474 -0.292 9.535 1.00 0.00 C ATOM 285 NE ARG A 23 1.358 0.081 10.399 1.00 0.00 N ATOM 286 CZ ARG A 23 0.685 -0.787 11.146 1.00 0.00 C ATOM 287 NH1 ARG A 23 1.015 -2.071 11.136 1.00 0.00 N ATOM 288 NH2 ARG A 23 -0.319 -0.370 11.907 1.00 0.00 N ATOM 0 H ARG A 23 0.737 -4.572 7.889 1.00 0.00 H new ATOM 0 HA ARG A 23 0.619 -2.158 6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.706 -2.340 8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.382 -2.823 8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.802 -0.652 7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.163 -0.173 7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.061 -1.074 10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.133 0.566 9.404 1.00 0.00 H new ATOM 0 HE ARG A 23 1.080 1.062 10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.787 -2.395 10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.496 -2.735 11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.574 0.617 11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.835 -1.037 12.480 1.00 0.00 H new ATOM 302 N PRO A 24 2.681 -2.240 4.944 1.00 0.00 N ATOM 303 CA PRO A 24 3.860 -2.280 4.074 1.00 0.00 C ATOM 304 C PRO A 24 5.090 -1.669 4.736 1.00 0.00 C ATOM 305 O PRO A 24 4.994 -0.668 5.448 1.00 0.00 O ATOM 306 CB PRO A 24 3.435 -1.445 2.864 1.00 0.00 C ATOM 307 CG PRO A 24 2.386 -0.526 3.387 1.00 0.00 C ATOM 308 CD PRO A 24 1.666 -1.289 4.463 1.00 0.00 C ATOM 0 HA PRO A 24 4.149 -3.301 3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.277 -0.890 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.046 -2.076 2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.830 0.386 3.786 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.700 -0.226 2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.322 -0.631 5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.787 -1.802 4.072 1.00 0.00 H new ATOM 316 N THR A 25 6.248 -2.276 4.497 1.00 0.00 N ATOM 317 CA THR A 25 7.498 -1.792 5.071 1.00 0.00 C ATOM 318 C THR A 25 8.200 -0.825 4.123 1.00 0.00 C ATOM 319 O THR A 25 7.817 -0.693 2.961 1.00 0.00 O ATOM 320 CB THR A 25 8.453 -2.956 5.399 1.00 0.00 C ATOM 321 OG1 THR A 25 9.508 -2.497 6.251 1.00 0.00 O ATOM 322 CG2 THR A 25 9.042 -3.547 4.127 1.00 0.00 C ATOM 0 H THR A 25 6.347 -3.104 3.910 1.00 0.00 H new ATOM 0 HA THR A 25 7.242 -1.271 5.993 1.00 0.00 H new ATOM 0 HB THR A 25 7.884 -3.732 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.110 -3.242 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.713 -4.367 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.238 -3.921 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.598 -2.777 3.592 1.00 0.00 H new ATOM 330 N ILE A 26 9.229 -0.153 4.628 1.00 0.00 N ATOM 331 CA ILE A 26 9.984 0.801 3.826 1.00 0.00 C ATOM 332 C ILE A 26 11.482 0.526 3.910 1.00 0.00 C ATOM 333 O ILE A 26 12.030 0.345 4.998 1.00 0.00 O ATOM 334 CB ILE A 26 9.715 2.250 4.271 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.272 2.397 4.757 1.00 0.00 C ATOM 336 CG2 ILE A 26 9.995 3.216 3.129 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.245 1.910 3.759 1.00 0.00 C ATOM 0 H ILE A 26 9.559 -0.252 5.588 1.00 0.00 H new ATOM 0 HA ILE A 26 9.651 0.679 2.795 1.00 0.00 H new ATOM 0 HB ILE A 26 10.384 2.491 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.153 1.843 5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.078 3.446 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.800 4.236 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.038 3.126 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.348 2.978 2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.245 2.045 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.337 2.480 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.412 0.853 3.551 1.00 0.00 H new ATOM 349 N SER A 27 12.139 0.495 2.755 1.00 0.00 N ATOM 350 CA SER A 27 13.573 0.240 2.698 1.00 0.00 C ATOM 351 C SER A 27 14.245 1.144 1.669 1.00 0.00 C ATOM 352 O SER A 27 13.578 1.789 0.860 1.00 0.00 O ATOM 353 CB SER A 27 13.839 -1.227 2.355 1.00 0.00 C ATOM 354 OG SER A 27 15.072 -1.663 2.897 1.00 0.00 O ATOM 0 H SER A 27 11.701 0.643 1.846 1.00 0.00 H new ATOM 0 HA SER A 27 13.995 0.458 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.029 -1.846 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.849 -1.354 1.273 1.00 0.00 H new ATOM 0 HG SER A 27 15.217 -2.604 2.665 1.00 0.00 H new ATOM 360 N THR A 28 15.574 1.187 1.706 1.00 0.00 N ATOM 361 CA THR A 28 16.338 2.013 0.779 1.00 0.00 C ATOM 362 C THR A 28 16.480 1.330 -0.576 1.00 0.00 C ATOM 363 O THR A 28 17.216 0.353 -0.715 1.00 0.00 O ATOM 364 CB THR A 28 17.741 2.327 1.334 1.00 0.00 C ATOM 365 OG1 THR A 28 17.647 2.741 2.701 1.00 0.00 O ATOM 366 CG2 THR A 28 18.414 3.417 0.513 1.00 0.00 C ATOM 0 H THR A 28 16.143 0.659 2.368 1.00 0.00 H new ATOM 0 HA THR A 28 15.787 2.945 0.656 1.00 0.00 H new ATOM 0 HB THR A 28 18.344 1.421 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.952 3.427 2.788 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.403 3.623 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.511 3.086 -0.521 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.811 4.324 0.549 1.00 0.00 H new ATOM 374 N ALA A 29 15.772 1.851 -1.573 1.00 0.00 N ATOM 375 CA ALA A 29 15.823 1.292 -2.918 1.00 0.00 C ATOM 376 C ALA A 29 16.481 2.265 -3.892 1.00 0.00 C ATOM 377 O ALA A 29 17.189 1.853 -4.810 1.00 0.00 O ATOM 378 CB ALA A 29 14.423 0.934 -3.393 1.00 0.00 C ATOM 0 H ALA A 29 15.157 2.659 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 29 16.428 0.386 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.475 0.518 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.987 0.198 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.802 1.830 -3.403 1.00 0.00 H new ATOM 384 N SER A 30 16.242 3.556 -3.684 1.00 0.00 N ATOM 385 CA SER A 30 16.808 4.586 -4.547 1.00 0.00 C ATOM 386 C SER A 30 16.711 5.959 -3.888 1.00 0.00 C ATOM 387 O SER A 30 16.187 6.093 -2.784 1.00 0.00 O ATOM 388 CB SER A 30 16.089 4.603 -5.896 1.00 0.00 C ATOM 389 OG SER A 30 16.166 3.338 -6.531 1.00 0.00 O ATOM 0 H SER A 30 15.661 3.913 -2.926 1.00 0.00 H new ATOM 0 HA SER A 30 17.860 4.353 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.044 4.878 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.533 5.364 -6.539 1.00 0.00 H new ATOM 0 HG SER A 30 16.914 2.828 -6.155 1.00 0.00 H new ATOM 395 N GLU A 31 17.220 6.976 -4.577 1.00 0.00 N ATOM 396 CA GLU A 31 17.191 8.339 -4.059 1.00 0.00 C ATOM 397 C GLU A 31 15.843 8.997 -4.337 1.00 0.00 C ATOM 398 O GLU A 31 15.499 10.014 -3.732 1.00 0.00 O ATOM 399 CB GLU A 31 18.315 9.169 -4.684 1.00 0.00 C ATOM 400 CG GLU A 31 18.004 9.655 -6.089 1.00 0.00 C ATOM 401 CD GLU A 31 19.218 10.237 -6.787 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.035 10.892 -6.106 1.00 0.00 O ATOM 403 OE2 GLU A 31 19.350 10.038 -8.012 1.00 0.00 O ATOM 0 H GLU A 31 17.657 6.882 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 31 17.339 8.295 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.516 10.030 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.226 8.571 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.614 8.825 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.219 10.410 -6.043 1.00 0.00 H new ATOM 410 N THR A 32 15.082 8.412 -5.257 1.00 0.00 N ATOM 411 CA THR A 32 13.773 8.941 -5.617 1.00 0.00 C ATOM 412 C THR A 32 12.681 7.901 -5.401 1.00 0.00 C ATOM 413 O THR A 32 11.499 8.174 -5.614 1.00 0.00 O ATOM 414 CB THR A 32 13.740 9.408 -7.084 1.00 0.00 C ATOM 415 OG1 THR A 32 14.380 8.438 -7.921 1.00 0.00 O ATOM 416 CG2 THR A 32 14.429 10.755 -7.240 1.00 0.00 C ATOM 0 H THR A 32 15.351 7.570 -5.767 1.00 0.00 H new ATOM 0 HA THR A 32 13.588 9.797 -4.967 1.00 0.00 H new ATOM 0 HB THR A 32 12.698 9.515 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.353 8.741 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.393 11.063 -8.285 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.921 11.497 -6.625 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.468 10.671 -6.922 1.00 0.00 H new ATOM 424 N SER A 33 13.083 6.707 -4.978 1.00 0.00 N ATOM 425 CA SER A 33 12.137 5.623 -4.736 1.00 0.00 C ATOM 426 C SER A 33 12.530 4.826 -3.496 1.00 0.00 C ATOM 427 O SER A 33 13.609 5.019 -2.935 1.00 0.00 O ATOM 428 CB SER A 33 12.069 4.697 -5.951 1.00 0.00 C ATOM 429 OG SER A 33 13.087 3.712 -5.899 1.00 0.00 O ATOM 0 H SER A 33 14.057 6.465 -4.796 1.00 0.00 H new ATOM 0 HA SER A 33 11.154 6.062 -4.568 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.093 4.214 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.171 5.283 -6.865 1.00 0.00 H new ATOM 0 HG SER A 33 13.564 3.689 -6.755 1.00 0.00 H new ATOM 435 N VAL A 34 11.645 3.928 -3.073 1.00 0.00 N ATOM 436 CA VAL A 34 11.899 3.099 -1.900 1.00 0.00 C ATOM 437 C VAL A 34 11.248 1.728 -2.044 1.00 0.00 C ATOM 438 O VAL A 34 10.173 1.599 -2.631 1.00 0.00 O ATOM 439 CB VAL A 34 11.377 3.771 -0.615 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.134 5.061 -0.341 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.882 4.032 -0.721 1.00 0.00 C ATOM 0 H VAL A 34 10.747 3.756 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 34 12.980 2.978 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 34 11.546 3.095 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.751 5.521 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.195 4.842 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.999 5.747 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.530 4.507 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.687 4.689 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.357 3.088 -0.865 1.00 0.00 H new ATOM 451 N TYR A 35 11.906 0.708 -1.507 1.00 0.00 N ATOM 452 CA TYR A 35 11.393 -0.656 -1.577 1.00 0.00 C ATOM 453 C TYR A 35 10.300 -0.880 -0.537 1.00 0.00 C ATOM 454 O TYR A 35 10.536 -0.757 0.665 1.00 0.00 O ATOM 455 CB TYR A 35 12.527 -1.661 -1.369 1.00 0.00 C ATOM 456 CG TYR A 35 13.350 -1.912 -2.612 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.740 -2.165 -3.834 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.738 -1.896 -2.564 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.488 -2.396 -4.972 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.495 -2.124 -3.696 1.00 0.00 C ATOM 461 CZ TYR A 35 14.866 -2.374 -4.898 1.00 0.00 C ATOM 462 OH TYR A 35 15.614 -2.602 -6.030 1.00 0.00 O ATOM 0 H TYR A 35 12.796 0.799 -1.018 1.00 0.00 H new ATOM 0 HA TYR A 35 10.962 -0.806 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.182 -1.298 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.105 -2.606 -1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.662 -2.181 -3.895 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.234 -1.702 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.998 -2.593 -5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.573 -2.107 -3.641 1.00 0.00 H new ATOM 0 HH TYR A 35 16.567 -2.551 -5.808 1.00 0.00 H new ATOM 472 N VAL A 36 9.102 -1.212 -1.008 1.00 0.00 N ATOM 473 CA VAL A 36 7.972 -1.458 -0.121 1.00 0.00 C ATOM 474 C VAL A 36 7.502 -2.905 -0.216 1.00 0.00 C ATOM 475 O VAL A 36 7.318 -3.439 -1.310 1.00 0.00 O ATOM 476 CB VAL A 36 6.791 -0.523 -0.446 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.605 -0.828 0.458 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.212 0.932 -0.313 1.00 0.00 C ATOM 0 H VAL A 36 8.889 -1.317 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 36 8.316 -1.258 0.894 1.00 0.00 H new ATOM 0 HB VAL A 36 6.486 -0.696 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.780 -0.158 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.290 -1.861 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.894 -0.684 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.366 1.578 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.544 1.123 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.028 1.139 -1.005 1.00 0.00 H new ATOM 488 N THR A 37 7.309 -3.535 0.938 1.00 0.00 N ATOM 489 CA THR A 37 6.860 -4.921 0.986 1.00 0.00 C ATOM 490 C THR A 37 5.660 -5.079 1.912 1.00 0.00 C ATOM 491 O THR A 37 5.716 -4.709 3.085 1.00 0.00 O ATOM 492 CB THR A 37 7.986 -5.859 1.459 1.00 0.00 C ATOM 493 OG1 THR A 37 9.089 -5.800 0.549 1.00 0.00 O ATOM 494 CG2 THR A 37 7.488 -7.292 1.565 1.00 0.00 C ATOM 0 H THR A 37 7.457 -3.108 1.852 1.00 0.00 H new ATOM 0 HA THR A 37 6.570 -5.195 -0.029 1.00 0.00 H new ATOM 0 HB THR A 37 8.311 -5.529 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.801 -6.399 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.301 -7.936 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.668 -7.340 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.138 -7.629 0.589 1.00 0.00 H new ATOM 502 N TRP A 38 4.576 -5.630 1.378 1.00 0.00 N ATOM 503 CA TRP A 38 3.361 -5.838 2.158 1.00 0.00 C ATOM 504 C TRP A 38 2.951 -7.305 2.147 1.00 0.00 C ATOM 505 O TRP A 38 3.519 -8.113 1.411 1.00 0.00 O ATOM 506 CB TRP A 38 2.225 -4.972 1.610 1.00 0.00 C ATOM 507 CG TRP A 38 1.770 -5.386 0.243 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.660 -6.123 -0.063 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.413 -5.090 -1.000 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.576 -6.302 -1.422 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.639 -5.677 -2.021 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.566 -4.385 -1.352 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.983 -5.580 -3.366 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.907 -4.288 -2.689 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.118 -4.883 -3.682 1.00 0.00 C ATOM 0 H TRP A 38 4.513 -5.941 0.409 1.00 0.00 H new ATOM 0 HA TRP A 38 3.566 -5.547 3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.379 -5.018 2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.553 -3.933 1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.047 -6.508 0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.159 -6.817 -1.907 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.181 -3.924 -0.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.376 -6.038 -4.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.796 -3.745 -2.972 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.411 -4.790 -4.717 1.00 0.00 H new ATOM 526 N ILE A 39 1.960 -7.645 2.964 1.00 0.00 N ATOM 527 CA ILE A 39 1.473 -9.016 3.046 1.00 0.00 C ATOM 528 C ILE A 39 -0.050 -9.057 3.095 1.00 0.00 C ATOM 529 O ILE A 39 -0.673 -8.734 4.106 1.00 0.00 O ATOM 530 CB ILE A 39 2.034 -9.741 4.285 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.555 -9.585 4.348 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.648 -11.212 4.259 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.288 -10.371 3.283 1.00 0.00 C ATOM 0 H ILE A 39 1.478 -6.989 3.579 1.00 0.00 H new ATOM 0 HA ILE A 39 1.820 -9.527 2.148 1.00 0.00 H new ATOM 0 HB ILE A 39 1.603 -9.289 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.808 -8.530 4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.905 -9.905 5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.052 -11.710 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.562 -11.303 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.053 -11.679 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.361 -10.213 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.065 -11.432 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.967 -10.035 2.297 1.00 0.00 H new ATOM 545 N PRO A 40 -0.667 -9.466 1.975 1.00 0.00 N ATOM 546 CA PRO A 40 -2.125 -9.561 1.866 1.00 0.00 C ATOM 547 C PRO A 40 -2.697 -10.694 2.711 1.00 0.00 C ATOM 548 O PRO A 40 -2.162 -11.803 2.725 1.00 0.00 O ATOM 549 CB PRO A 40 -2.351 -9.839 0.377 1.00 0.00 C ATOM 550 CG PRO A 40 -1.090 -10.484 -0.084 1.00 0.00 C ATOM 551 CD PRO A 40 0.012 -9.867 0.732 1.00 0.00 C ATOM 0 HA PRO A 40 -2.620 -8.659 2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.209 -10.493 0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.548 -8.918 -0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.127 -11.563 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.930 -10.313 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.816 -10.578 0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.458 -9.012 0.224 1.00 0.00 H new ATOM 559 N ARG A 41 -3.789 -10.408 3.414 1.00 0.00 N ATOM 560 CA ARG A 41 -4.433 -11.403 4.263 1.00 0.00 C ATOM 561 C ARG A 41 -5.676 -11.972 3.586 1.00 0.00 C ATOM 562 O ARG A 41 -5.693 -13.129 3.167 1.00 0.00 O ATOM 563 CB ARG A 41 -4.811 -10.786 5.611 1.00 0.00 C ATOM 564 CG ARG A 41 -3.825 -9.736 6.098 1.00 0.00 C ATOM 565 CD ARG A 41 -2.414 -10.296 6.186 1.00 0.00 C ATOM 566 NE ARG A 41 -2.132 -10.866 7.500 1.00 0.00 N ATOM 567 CZ ARG A 41 -2.032 -10.141 8.610 1.00 0.00 C ATOM 568 NH1 ARG A 41 -2.191 -8.826 8.562 1.00 0.00 N ATOM 569 NH2 ARG A 41 -1.773 -10.732 9.769 1.00 0.00 N ATOM 0 H ARG A 41 -4.246 -9.496 3.412 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.726 -12.216 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.800 -10.334 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.883 -11.578 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.837 -8.882 5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.135 -9.371 7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.280 -11.062 5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.696 -9.504 5.973 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.005 -11.876 7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.390 -8.369 7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.114 -8.272 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.650 -11.744 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.697 -10.175 10.620 1.00 0.00 H new ATOM 583 N GLY A 42 -6.717 -11.151 3.483 1.00 0.00 N ATOM 584 CA GLY A 42 -7.950 -11.591 2.856 1.00 0.00 C ATOM 585 C GLY A 42 -8.102 -11.064 1.444 1.00 0.00 C ATOM 586 O GLY A 42 -7.569 -10.008 1.107 1.00 0.00 O ATOM 0 H GLY A 42 -6.728 -10.189 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.976 -12.681 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.797 -11.261 3.457 1.00 0.00 H new ATOM 590 N ASN A 43 -8.832 -11.803 0.614 1.00 0.00 N ATOM 591 CA ASN A 43 -9.051 -11.405 -0.772 1.00 0.00 C ATOM 592 C ASN A 43 -10.542 -11.282 -1.073 1.00 0.00 C ATOM 593 O ASN A 43 -10.946 -11.185 -2.231 1.00 0.00 O ATOM 594 CB ASN A 43 -8.409 -12.417 -1.722 1.00 0.00 C ATOM 595 CG ASN A 43 -9.043 -13.790 -1.620 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.927 -14.018 -0.793 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.595 -14.714 -2.461 1.00 0.00 N ATOM 0 H ASN A 43 -9.281 -12.680 0.877 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.586 -10.430 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.496 -12.055 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.345 -12.494 -1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.985 -15.656 -2.438 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.861 -14.482 -3.130 1.00 0.00 H new ATOM 604 N GLY A 44 -11.355 -11.288 -0.021 1.00 0.00 N ATOM 605 CA GLY A 44 -12.792 -11.176 -0.194 1.00 0.00 C ATOM 606 C GLY A 44 -13.419 -12.464 -0.689 1.00 0.00 C ATOM 607 O GLY A 44 -14.633 -12.541 -0.874 1.00 0.00 O ATOM 0 H GLY A 44 -11.045 -11.368 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.248 -10.895 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.008 -10.375 -0.901 1.00 0.00 H new ATOM 611 N GLY A 45 -12.588 -13.480 -0.906 1.00 0.00 N ATOM 612 CA GLY A 45 -13.086 -14.757 -1.382 1.00 0.00 C ATOM 613 C GLY A 45 -12.651 -15.055 -2.803 1.00 0.00 C ATOM 614 O GLY A 45 -12.682 -16.206 -3.240 1.00 0.00 O ATOM 0 H GLY A 45 -11.579 -13.441 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.732 -15.550 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.175 -14.761 -1.330 1.00 0.00 H new ATOM 618 N PHE A 46 -12.245 -14.017 -3.526 1.00 0.00 N ATOM 619 CA PHE A 46 -11.804 -14.173 -4.907 1.00 0.00 C ATOM 620 C PHE A 46 -10.313 -13.874 -5.040 1.00 0.00 C ATOM 621 O PHE A 46 -9.700 -13.251 -4.172 1.00 0.00 O ATOM 622 CB PHE A 46 -12.605 -13.251 -5.828 1.00 0.00 C ATOM 623 CG PHE A 46 -13.827 -13.900 -6.411 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.759 -15.174 -6.953 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.045 -13.238 -6.418 1.00 0.00 C ATOM 626 CE1 PHE A 46 -14.882 -15.773 -7.492 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.171 -13.833 -6.954 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.090 -15.103 -7.491 1.00 0.00 C ATOM 0 H PHE A 46 -12.212 -13.059 -3.179 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.976 -15.208 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.906 -12.365 -5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.961 -12.913 -6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.818 -15.704 -6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.115 -12.245 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.815 -16.765 -7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.113 -13.306 -6.953 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.969 -15.571 -7.909 1.00 0.00 H new ATOM 638 N PRO A 47 -9.716 -14.327 -6.152 1.00 0.00 N ATOM 639 CA PRO A 47 -8.291 -14.119 -6.425 1.00 0.00 C ATOM 640 C PRO A 47 -7.965 -12.661 -6.726 1.00 0.00 C ATOM 641 O PRO A 47 -8.423 -12.107 -7.727 1.00 0.00 O ATOM 642 CB PRO A 47 -8.036 -14.990 -7.658 1.00 0.00 C ATOM 643 CG PRO A 47 -9.362 -15.095 -8.329 1.00 0.00 C ATOM 644 CD PRO A 47 -10.385 -15.076 -7.228 1.00 0.00 C ATOM 0 HA PRO A 47 -7.670 -14.377 -5.567 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.294 -14.537 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.656 -15.972 -7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.517 -14.266 -9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.433 -16.013 -8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.307 -14.587 -7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.652 -16.084 -6.910 1.00 0.00 H new ATOM 652 N ILE A 48 -7.171 -12.045 -5.857 1.00 0.00 N ATOM 653 CA ILE A 48 -6.783 -10.651 -6.032 1.00 0.00 C ATOM 654 C ILE A 48 -6.357 -10.376 -7.470 1.00 0.00 C ATOM 655 O ILE A 48 -5.564 -11.120 -8.046 1.00 0.00 O ATOM 656 CB ILE A 48 -5.632 -10.263 -5.085 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.099 -10.324 -3.629 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.112 -8.875 -5.423 1.00 0.00 C ATOM 659 CD1 ILE A 48 -4.971 -10.207 -2.627 1.00 0.00 C ATOM 0 H ILE A 48 -6.784 -12.489 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.659 -10.048 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.817 -10.975 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.816 -9.522 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.625 -11.264 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.299 -8.616 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.746 -8.864 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.918 -8.149 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.376 -10.258 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.265 -11.024 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.459 -9.255 -2.765 1.00 0.00 H new ATOM 671 N GLN A 49 -6.888 -9.301 -8.043 1.00 0.00 N ATOM 672 CA GLN A 49 -6.562 -8.926 -9.414 1.00 0.00 C ATOM 673 C GLN A 49 -5.308 -8.059 -9.458 1.00 0.00 C ATOM 674 O GLN A 49 -4.406 -8.294 -10.262 1.00 0.00 O ATOM 675 CB GLN A 49 -7.733 -8.181 -10.055 1.00 0.00 C ATOM 676 CG GLN A 49 -8.914 -9.077 -10.391 1.00 0.00 C ATOM 677 CD GLN A 49 -9.810 -8.486 -11.461 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.677 -7.316 -11.821 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.731 -9.292 -11.974 1.00 0.00 N ATOM 0 H GLN A 49 -7.546 -8.674 -7.579 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.371 -9.840 -9.977 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.066 -7.394 -9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.387 -7.693 -10.966 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.546 -10.047 -10.726 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.500 -9.253 -9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.806 -10.255 -11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.364 -8.949 -12.696 1.00 0.00 H new ATOM 688 N SER A 50 -5.257 -7.055 -8.589 1.00 0.00 N ATOM 689 CA SER A 50 -4.115 -6.150 -8.530 1.00 0.00 C ATOM 690 C SER A 50 -4.120 -5.353 -7.229 1.00 0.00 C ATOM 691 O SER A 50 -5.155 -5.211 -6.579 1.00 0.00 O ATOM 692 CB SER A 50 -4.132 -5.197 -9.727 1.00 0.00 C ATOM 693 OG SER A 50 -5.436 -4.691 -9.958 1.00 0.00 O ATOM 0 H SER A 50 -5.994 -6.847 -7.915 1.00 0.00 H new ATOM 0 HA SER A 50 -3.205 -6.749 -8.564 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.444 -4.371 -9.548 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.778 -5.719 -10.616 1.00 0.00 H new ATOM 0 HG SER A 50 -5.420 -4.083 -10.727 1.00 0.00 H new ATOM 699 N PHE A 51 -2.955 -4.833 -6.858 1.00 0.00 N ATOM 700 CA PHE A 51 -2.823 -4.049 -5.635 1.00 0.00 C ATOM 701 C PHE A 51 -2.629 -2.570 -5.955 1.00 0.00 C ATOM 702 O PHE A 51 -2.475 -2.190 -7.116 1.00 0.00 O ATOM 703 CB PHE A 51 -1.646 -4.560 -4.801 1.00 0.00 C ATOM 704 CG PHE A 51 -1.891 -5.907 -4.181 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.891 -6.078 -3.237 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.120 -7.001 -4.541 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.120 -7.316 -2.666 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.345 -8.240 -3.973 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.345 -8.398 -3.033 1.00 0.00 C ATOM 0 H PHE A 51 -2.089 -4.940 -7.386 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.743 -4.161 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.760 -4.616 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.430 -3.840 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.498 -5.234 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.335 -6.884 -5.273 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.904 -7.437 -1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.739 -9.085 -4.264 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.520 -9.366 -2.586 1.00 0.00 H new ATOM 719 N ARG A 52 -2.639 -1.740 -4.916 1.00 0.00 N ATOM 720 CA ARG A 52 -2.467 -0.302 -5.086 1.00 0.00 C ATOM 721 C ARG A 52 -1.800 0.314 -3.860 1.00 0.00 C ATOM 722 O ARG A 52 -2.277 0.157 -2.736 1.00 0.00 O ATOM 723 CB ARG A 52 -3.818 0.370 -5.336 1.00 0.00 C ATOM 724 CG ARG A 52 -4.345 0.172 -6.748 1.00 0.00 C ATOM 725 CD ARG A 52 -5.534 1.077 -7.030 1.00 0.00 C ATOM 726 NE ARG A 52 -6.160 0.771 -8.314 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.075 1.546 -8.888 1.00 0.00 C ATOM 728 NH1 ARG A 52 -7.467 2.665 -8.295 1.00 0.00 N ATOM 729 NH2 ARG A 52 -7.599 1.201 -10.057 1.00 0.00 N ATOM 0 H ARG A 52 -2.764 -2.039 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.823 -0.139 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.547 -0.023 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.725 1.438 -5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.551 0.378 -7.466 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.638 -0.869 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.269 0.969 -6.233 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.208 2.117 -7.024 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.880 -0.083 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.066 2.933 -7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.169 3.258 -8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.300 0.341 -10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.301 1.796 -10.497 1.00 0.00 H new ATOM 743 N VAL A 53 -0.692 1.014 -4.084 1.00 0.00 N ATOM 744 CA VAL A 53 0.040 1.654 -2.998 1.00 0.00 C ATOM 745 C VAL A 53 -0.225 3.155 -2.965 1.00 0.00 C ATOM 746 O VAL A 53 -0.230 3.817 -4.003 1.00 0.00 O ATOM 747 CB VAL A 53 1.557 1.414 -3.126 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.296 2.029 -1.947 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.853 -0.074 -3.233 1.00 0.00 C ATOM 0 H VAL A 53 -0.282 1.152 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.315 1.206 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 53 1.909 1.898 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.366 1.850 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.109 3.103 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.943 1.576 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.929 -0.225 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.488 -0.583 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.355 -0.482 -4.112 1.00 0.00 H new ATOM 759 N GLU A 54 -0.444 3.686 -1.766 1.00 0.00 N ATOM 760 CA GLU A 54 -0.711 5.110 -1.600 1.00 0.00 C ATOM 761 C GLU A 54 0.117 5.688 -0.455 1.00 0.00 C ATOM 762 O GLU A 54 0.387 5.008 0.535 1.00 0.00 O ATOM 763 CB GLU A 54 -2.199 5.346 -1.336 1.00 0.00 C ATOM 764 CG GLU A 54 -3.085 5.031 -2.530 1.00 0.00 C ATOM 765 CD GLU A 54 -3.494 3.572 -2.585 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.436 3.191 -1.861 1.00 0.00 O ATOM 767 OE2 GLU A 54 -2.869 2.810 -3.353 1.00 0.00 O ATOM 0 H GLU A 54 -0.442 3.152 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.429 5.616 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.511 4.733 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.348 6.387 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.979 5.654 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.558 5.291 -3.448 1.00 0.00 H new ATOM 774 N TYR A 55 0.517 6.946 -0.599 1.00 0.00 N ATOM 775 CA TYR A 55 1.316 7.616 0.420 1.00 0.00 C ATOM 776 C TYR A 55 0.654 8.915 0.866 1.00 0.00 C ATOM 777 O TYR A 55 -0.367 9.328 0.313 1.00 0.00 O ATOM 778 CB TYR A 55 2.721 7.903 -0.111 1.00 0.00 C ATOM 779 CG TYR A 55 2.732 8.700 -1.396 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.528 10.075 -1.385 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.944 8.079 -2.620 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.535 10.807 -2.557 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.955 8.804 -3.796 1.00 0.00 C ATOM 784 CZ TYR A 55 2.750 10.167 -3.759 1.00 0.00 C ATOM 785 OH TYR A 55 2.759 10.893 -4.929 1.00 0.00 O ATOM 0 H TYR A 55 0.301 7.523 -1.412 1.00 0.00 H new ATOM 0 HA TYR A 55 1.389 6.953 1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.283 8.446 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.238 6.958 -0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.361 10.580 -0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.103 7.011 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.373 11.874 -2.532 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.123 8.306 -4.739 1.00 0.00 H new ATOM 0 HH TYR A 55 2.925 10.292 -5.685 1.00 0.00 H new ATOM 795 N LYS A 56 1.241 9.557 1.870 1.00 0.00 N ATOM 796 CA LYS A 56 0.711 10.811 2.392 1.00 0.00 C ATOM 797 C LYS A 56 1.838 11.723 2.865 1.00 0.00 C ATOM 798 O LYS A 56 2.664 11.331 3.689 1.00 0.00 O ATOM 799 CB LYS A 56 -0.257 10.539 3.545 1.00 0.00 C ATOM 800 CG LYS A 56 -0.630 11.783 4.333 1.00 0.00 C ATOM 801 CD LYS A 56 -1.780 11.514 5.289 1.00 0.00 C ATOM 802 CE LYS A 56 -1.295 10.866 6.577 1.00 0.00 C ATOM 803 NZ LYS A 56 -2.305 10.972 7.666 1.00 0.00 N ATOM 0 H LYS A 56 2.085 9.229 2.339 1.00 0.00 H new ATOM 0 HA LYS A 56 0.175 11.313 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.165 10.086 3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.192 9.812 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.237 12.133 4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.907 12.581 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.288 12.450 5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.511 10.865 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.069 9.816 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.367 11.341 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.937 10.519 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.502 11.974 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.183 10.497 7.373 1.00 0.00 H new ATOM 817 N LYS A 57 1.866 12.943 2.338 1.00 0.00 N ATOM 818 CA LYS A 57 2.890 13.913 2.708 1.00 0.00 C ATOM 819 C LYS A 57 2.619 14.488 4.095 1.00 0.00 C ATOM 820 O LYS A 57 1.530 14.996 4.365 1.00 0.00 O ATOM 821 CB LYS A 57 2.947 15.043 1.678 1.00 0.00 C ATOM 822 CG LYS A 57 3.566 14.629 0.354 1.00 0.00 C ATOM 823 CD LYS A 57 2.993 15.429 -0.804 1.00 0.00 C ATOM 824 CE LYS A 57 3.138 14.684 -2.122 1.00 0.00 C ATOM 825 NZ LYS A 57 3.106 15.610 -3.288 1.00 0.00 N ATOM 0 H LYS A 57 1.191 13.283 1.653 1.00 0.00 H new ATOM 0 HA LYS A 57 3.851 13.399 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.937 15.410 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.519 15.873 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.646 14.771 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.390 13.567 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.940 15.638 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.502 16.391 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.076 14.129 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.335 13.953 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.208 15.064 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.200 16.121 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.888 16.292 -3.211 1.00 0.00 H new ATOM 839 N LEU A 58 3.616 14.406 4.969 1.00 0.00 N ATOM 840 CA LEU A 58 3.485 14.920 6.329 1.00 0.00 C ATOM 841 C LEU A 58 4.033 16.340 6.428 1.00 0.00 C ATOM 842 O LEU A 58 3.307 17.276 6.765 1.00 0.00 O ATOM 843 CB LEU A 58 4.219 14.007 7.312 1.00 0.00 C ATOM 844 CG LEU A 58 3.995 12.506 7.131 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.978 11.713 7.978 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.563 12.134 7.484 1.00 0.00 C ATOM 0 H LEU A 58 4.523 13.989 4.761 1.00 0.00 H new ATOM 0 HA LEU A 58 2.426 14.941 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.288 14.206 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.918 14.279 8.324 1.00 0.00 H new ATOM 0 HG LEU A 58 4.166 12.257 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.803 10.647 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.997 11.957 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.840 11.966 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.422 11.062 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.364 12.399 8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.876 12.675 6.834 1.00 0.00 H new ATOM 937 N TRP A 64 -3.971 11.662 0.813 1.00 0.00 N ATOM 938 CA TRP A 64 -3.243 10.505 0.305 1.00 0.00 C ATOM 939 C TRP A 64 -3.150 10.546 -1.216 1.00 0.00 C ATOM 940 O TRP A 64 -4.125 10.860 -1.899 1.00 0.00 O ATOM 941 CB TRP A 64 -3.926 9.211 0.752 1.00 0.00 C ATOM 942 CG TRP A 64 -3.737 8.912 2.208 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.551 9.293 3.236 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.664 8.170 2.798 1.00 0.00 C ATOM 945 NE1 TRP A 64 -4.049 8.834 4.429 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.892 8.140 4.188 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.534 7.525 2.287 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.031 7.492 5.070 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.680 6.883 3.164 1.00 0.00 C ATOM 950 CH2 TRP A 64 -0.933 6.870 4.542 1.00 0.00 C ATOM 0 HA TRP A 64 -2.233 10.534 0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.993 9.279 0.538 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.535 8.380 0.164 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.457 9.871 3.127 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.469 8.985 5.346 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.332 7.528 1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.223 7.481 6.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.197 6.383 2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.247 6.358 5.201 1.00 0.00 H new ATOM 961 N ILE A 65 -1.971 10.224 -1.741 1.00 0.00 N ATOM 962 CA ILE A 65 -1.752 10.223 -3.182 1.00 0.00 C ATOM 963 C ILE A 65 -1.471 8.815 -3.694 1.00 0.00 C ATOM 964 O ILE A 65 -1.161 7.910 -2.918 1.00 0.00 O ATOM 965 CB ILE A 65 -0.581 11.143 -3.574 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.529 12.361 -2.649 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.713 11.579 -5.025 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.661 13.339 -2.874 1.00 0.00 C ATOM 0 H ILE A 65 -1.154 9.961 -1.190 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.667 10.598 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 65 0.350 10.587 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.553 12.022 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.420 12.877 -2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.122 12.229 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.706 10.701 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.650 12.120 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.560 14.177 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.626 13.707 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.614 12.839 -2.701 1.00 0.00 H new ATOM 980 N LEU A 66 -1.580 8.636 -5.006 1.00 0.00 N ATOM 981 CA LEU A 66 -1.337 7.337 -5.623 1.00 0.00 C ATOM 982 C LEU A 66 0.075 7.263 -6.197 1.00 0.00 C ATOM 983 O LEU A 66 0.507 8.156 -6.926 1.00 0.00 O ATOM 984 CB LEU A 66 -2.362 7.074 -6.728 1.00 0.00 C ATOM 985 CG LEU A 66 -2.193 5.768 -7.504 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.173 4.581 -6.554 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.303 5.611 -8.533 1.00 0.00 C ATOM 0 H LEU A 66 -1.835 9.374 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.438 6.572 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.357 7.082 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.323 7.902 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.239 5.802 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.052 3.660 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.342 4.687 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.110 4.543 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.166 4.676 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.269 5.599 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.270 6.445 -9.234 1.00 0.00 H new ATOM 999 N ALA A 67 0.789 6.193 -5.863 1.00 0.00 N ATOM 1000 CA ALA A 67 2.150 6.001 -6.348 1.00 0.00 C ATOM 1001 C ALA A 67 2.189 4.987 -7.486 1.00 0.00 C ATOM 1002 O ALA A 67 2.430 5.342 -8.641 1.00 0.00 O ATOM 1003 CB ALA A 67 3.058 5.556 -5.210 1.00 0.00 C ATOM 0 H ALA A 67 0.447 5.446 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 67 2.510 6.955 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.071 5.416 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.062 6.317 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.691 4.616 -4.798 1.00 0.00 H new ATOM 1009 N THR A 68 1.953 3.721 -7.154 1.00 0.00 N ATOM 1010 CA THR A 68 1.963 2.656 -8.148 1.00 0.00 C ATOM 1011 C THR A 68 0.651 1.878 -8.134 1.00 0.00 C ATOM 1012 O THR A 68 -0.131 1.980 -7.189 1.00 0.00 O ATOM 1013 CB THR A 68 3.129 1.677 -7.911 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.277 0.809 -9.039 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.895 0.851 -6.655 1.00 0.00 C ATOM 0 H THR A 68 1.753 3.409 -6.204 1.00 0.00 H new ATOM 0 HA THR A 68 2.090 3.133 -9.120 1.00 0.00 H new ATOM 0 HB THR A 68 4.042 2.258 -7.779 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.021 0.191 -8.881 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.731 0.167 -6.508 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.813 1.514 -5.794 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.973 0.279 -6.762 1.00 0.00 H new ATOM 1023 N SER A 69 0.418 1.102 -9.187 1.00 0.00 N ATOM 1024 CA SER A 69 -0.801 0.309 -9.297 1.00 0.00 C ATOM 1025 C SER A 69 -0.650 -0.776 -10.358 1.00 0.00 C ATOM 1026 O SER A 69 0.331 -0.800 -11.102 1.00 0.00 O ATOM 1027 CB SER A 69 -1.990 1.209 -9.638 1.00 0.00 C ATOM 1028 OG SER A 69 -2.963 0.505 -10.391 1.00 0.00 O ATOM 0 H SER A 69 1.057 1.005 -9.976 1.00 0.00 H new ATOM 0 HA SER A 69 -0.981 -0.171 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.440 1.587 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.645 2.075 -10.203 1.00 0.00 H new ATOM 0 HG SER A 69 -3.713 1.101 -10.595 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.628 -1.673 -10.422 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.604 -2.761 -11.392 1.00 0.00 C ATOM 1036 C ALA A 70 -0.575 -3.817 -11.009 1.00 0.00 C ATOM 1037 O ALA A 70 -0.067 -4.543 -11.865 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.316 -2.219 -12.784 1.00 0.00 C ATOM 0 H ALA A 70 -2.447 -1.668 -9.814 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.586 -3.235 -11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.301 -3.042 -13.499 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.093 -1.508 -13.065 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.348 -1.718 -12.786 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.269 -3.899 -9.718 1.00 0.00 N ATOM 1045 CA ILE A 71 0.700 -4.867 -9.222 1.00 0.00 C ATOM 1046 C ILE A 71 0.101 -6.269 -9.171 1.00 0.00 C ATOM 1047 O ILE A 71 -1.046 -6.466 -8.769 1.00 0.00 O ATOM 1048 CB ILE A 71 1.208 -4.487 -7.818 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.856 -3.101 -7.845 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.195 -5.529 -7.313 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.240 -2.587 -6.475 1.00 0.00 C ATOM 0 H ILE A 71 -0.679 -3.306 -8.997 1.00 0.00 H new ATOM 0 HA ILE A 71 1.539 -4.858 -9.918 1.00 0.00 H new ATOM 0 HB ILE A 71 0.359 -4.458 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.746 -3.137 -8.473 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.167 -2.395 -8.309 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.545 -5.247 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.704 -6.501 -7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.044 -5.587 -7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.693 -1.600 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.350 -2.518 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.954 -3.271 -6.017 1.00 0.00 H new ATOM 1063 N PRO A 72 0.894 -7.267 -9.587 1.00 0.00 N ATOM 1064 CA PRO A 72 0.465 -8.668 -9.597 1.00 0.00 C ATOM 1065 C PRO A 72 0.319 -9.239 -8.190 1.00 0.00 C ATOM 1066 O PRO A 72 0.915 -8.751 -7.231 1.00 0.00 O ATOM 1067 CB PRO A 72 1.592 -9.380 -10.349 1.00 0.00 C ATOM 1068 CG PRO A 72 2.788 -8.515 -10.145 1.00 0.00 C ATOM 1069 CD PRO A 72 2.272 -7.105 -10.080 1.00 0.00 C ATOM 0 HA PRO A 72 -0.516 -8.791 -10.057 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.757 -10.383 -9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.356 -9.486 -11.408 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.311 -8.782 -9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.499 -8.633 -10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.869 -6.489 -9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.295 -6.624 -11.058 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.494 -10.299 -8.062 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.736 -10.959 -6.776 1.00 0.00 C ATOM 1079 C PRO A 73 0.488 -11.715 -6.273 1.00 0.00 C ATOM 1080 O PRO A 73 0.581 -12.050 -5.092 1.00 0.00 O ATOM 1081 CB PRO A 73 -1.876 -11.934 -7.088 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.754 -12.205 -8.548 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.238 -10.933 -9.163 1.00 0.00 C ATOM 0 HA PRO A 73 -0.971 -10.243 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.783 -12.851 -6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.846 -11.500 -6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.072 -13.034 -8.735 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.718 -12.482 -8.975 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.595 -11.133 -10.020 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.051 -10.299 -9.516 1.00 0.00 H new ATOM 1091 N SER A 74 1.427 -11.980 -7.176 1.00 0.00 N ATOM 1092 CA SER A 74 2.646 -12.699 -6.823 1.00 0.00 C ATOM 1093 C SER A 74 3.718 -11.737 -6.319 1.00 0.00 C ATOM 1094 O SER A 74 4.686 -12.150 -5.680 1.00 0.00 O ATOM 1095 CB SER A 74 3.170 -13.478 -8.031 1.00 0.00 C ATOM 1096 OG SER A 74 4.059 -14.506 -7.627 1.00 0.00 O ATOM 0 H SER A 74 1.367 -11.708 -8.157 1.00 0.00 H new ATOM 0 HA SER A 74 2.407 -13.400 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.333 -13.911 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.681 -12.798 -8.713 1.00 0.00 H new ATOM 0 HG SER A 74 4.379 -14.991 -8.416 1.00 0.00 H new ATOM 1102 N ARG A 75 3.537 -10.454 -6.611 1.00 0.00 N ATOM 1103 CA ARG A 75 4.487 -9.432 -6.189 1.00 0.00 C ATOM 1104 C ARG A 75 4.021 -8.752 -4.905 1.00 0.00 C ATOM 1105 O ARG A 75 3.185 -7.847 -4.937 1.00 0.00 O ATOM 1106 CB ARG A 75 4.672 -8.390 -7.293 1.00 0.00 C ATOM 1107 CG ARG A 75 5.693 -7.316 -6.952 1.00 0.00 C ATOM 1108 CD ARG A 75 6.317 -6.724 -8.205 1.00 0.00 C ATOM 1109 NE ARG A 75 7.683 -6.262 -7.971 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.717 -7.080 -7.807 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.541 -8.393 -7.852 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.930 -6.584 -7.598 1.00 0.00 N ATOM 0 H ARG A 75 2.740 -10.097 -7.139 1.00 0.00 H new ATOM 0 HA ARG A 75 5.443 -9.919 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.980 -8.894 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.712 -7.915 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.213 -6.526 -6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.474 -7.741 -6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.318 -7.472 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.707 -5.891 -8.554 1.00 0.00 H new ATOM 0 HE ARG A 75 7.852 -5.257 -7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.610 -8.778 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.337 -9.019 -7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.069 -5.574 -7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.723 -7.213 -7.472 1.00 0.00 H new ATOM 1126 N LEU A 76 4.564 -9.194 -3.777 1.00 0.00 N ATOM 1127 CA LEU A 76 4.203 -8.628 -2.480 1.00 0.00 C ATOM 1128 C LEU A 76 5.149 -7.493 -2.099 1.00 0.00 C ATOM 1129 O LEU A 76 5.127 -7.007 -0.970 1.00 0.00 O ATOM 1130 CB LEU A 76 4.230 -9.714 -1.403 1.00 0.00 C ATOM 1131 CG LEU A 76 3.391 -10.961 -1.685 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.384 -11.883 -0.476 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.972 -10.571 -2.071 1.00 0.00 C ATOM 0 H LEU A 76 5.256 -9.942 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 76 3.193 -8.224 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.264 -10.023 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.889 -9.276 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 76 3.839 -11.497 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.782 -12.765 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.405 -12.188 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.960 -11.358 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.388 -11.470 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.513 -10.013 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.996 -9.950 -2.967 1.00 0.00 H new ATOM 1145 N SER A 77 5.977 -7.076 -3.051 1.00 0.00 N ATOM 1146 CA SER A 77 6.932 -6.000 -2.815 1.00 0.00 C ATOM 1147 C SER A 77 7.302 -5.304 -4.122 1.00 0.00 C ATOM 1148 O SER A 77 7.516 -5.954 -5.146 1.00 0.00 O ATOM 1149 CB SER A 77 8.192 -6.545 -2.140 1.00 0.00 C ATOM 1150 OG SER A 77 9.149 -5.519 -1.940 1.00 0.00 O ATOM 0 H SER A 77 6.006 -7.467 -3.993 1.00 0.00 H new ATOM 0 HA SER A 77 6.462 -5.270 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.930 -6.994 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.624 -7.335 -2.754 1.00 0.00 H new ATOM 0 HG SER A 77 9.146 -5.247 -0.998 1.00 0.00 H new ATOM 1156 N VAL A 78 7.376 -3.978 -4.079 1.00 0.00 N ATOM 1157 CA VAL A 78 7.721 -3.194 -5.259 1.00 0.00 C ATOM 1158 C VAL A 78 8.495 -1.937 -4.876 1.00 0.00 C ATOM 1159 O VAL A 78 8.566 -1.574 -3.703 1.00 0.00 O ATOM 1160 CB VAL A 78 6.463 -2.787 -6.051 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.490 -3.952 -6.141 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.801 -1.576 -5.410 1.00 0.00 C ATOM 0 H VAL A 78 7.202 -3.424 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 78 8.348 -3.827 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 78 6.762 -2.516 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.608 -3.647 -6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.971 -4.789 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.193 -4.256 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.914 -1.301 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.513 -1.818 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.501 -0.740 -5.402 1.00 0.00 H new ATOM 1172 N GLU A 79 9.074 -1.278 -5.875 1.00 0.00 N ATOM 1173 CA GLU A 79 9.844 -0.062 -5.642 1.00 0.00 C ATOM 1174 C GLU A 79 9.026 1.176 -5.994 1.00 0.00 C ATOM 1175 O GLU A 79 8.839 1.498 -7.168 1.00 0.00 O ATOM 1176 CB GLU A 79 11.135 -0.084 -6.464 1.00 0.00 C ATOM 1177 CG GLU A 79 12.022 1.128 -6.236 1.00 0.00 C ATOM 1178 CD GLU A 79 13.364 1.008 -6.931 1.00 0.00 C ATOM 1179 OE1 GLU A 79 13.388 0.596 -8.111 1.00 0.00 O ATOM 1180 OE2 GLU A 79 14.392 1.326 -6.297 1.00 0.00 O ATOM 0 H GLU A 79 9.024 -1.566 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 79 10.096 -0.020 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.696 -0.986 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.881 -0.144 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.510 2.021 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.182 1.260 -5.166 1.00 0.00 H new ATOM 1187 N ILE A 80 8.538 1.867 -4.969 1.00 0.00 N ATOM 1188 CA ILE A 80 7.740 3.069 -5.168 1.00 0.00 C ATOM 1189 C ILE A 80 8.603 4.226 -5.662 1.00 0.00 C ATOM 1190 O ILE A 80 9.309 4.866 -4.882 1.00 0.00 O ATOM 1191 CB ILE A 80 7.026 3.493 -3.872 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.092 2.381 -3.392 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.252 4.785 -4.091 1.00 0.00 C ATOM 1194 CD1 ILE A 80 5.007 2.031 -4.386 1.00 0.00 C ATOM 0 H ILE A 80 8.682 1.614 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 80 6.991 2.829 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 80 7.777 3.669 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.681 1.489 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.629 2.687 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.753 5.071 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.940 5.575 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.508 4.635 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.383 1.235 -3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.393 2.911 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.462 1.694 -5.318 1.00 0.00 H new ATOM 1206 N THR A 81 8.540 4.492 -6.963 1.00 0.00 N ATOM 1207 CA THR A 81 9.314 5.572 -7.561 1.00 0.00 C ATOM 1208 C THR A 81 8.446 6.802 -7.803 1.00 0.00 C ATOM 1209 O THR A 81 7.219 6.713 -7.827 1.00 0.00 O ATOM 1210 CB THR A 81 9.949 5.135 -8.895 1.00 0.00 C ATOM 1211 OG1 THR A 81 8.929 4.929 -9.879 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.757 3.858 -8.718 1.00 0.00 C ATOM 0 H THR A 81 7.960 3.974 -7.623 1.00 0.00 H new ATOM 0 HA THR A 81 10.105 5.823 -6.855 1.00 0.00 H new ATOM 0 HB THR A 81 10.620 5.926 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.341 4.653 -10.724 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.195 3.569 -9.673 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.551 4.028 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.104 3.061 -8.363 1.00 0.00 H new ATOM 1220 N GLY A 82 9.092 7.950 -7.982 1.00 0.00 N ATOM 1221 CA GLY A 82 8.363 9.182 -8.221 1.00 0.00 C ATOM 1222 C GLY A 82 8.063 9.935 -6.940 1.00 0.00 C ATOM 1223 O GLY A 82 6.995 10.530 -6.797 1.00 0.00 O ATOM 0 H GLY A 82 10.107 8.049 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.943 9.821 -8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.428 8.954 -8.733 1.00 0.00 H new ATOM 1227 N LEU A 83 9.007 9.910 -6.007 1.00 0.00 N ATOM 1228 CA LEU A 83 8.839 10.595 -4.729 1.00 0.00 C ATOM 1229 C LEU A 83 9.577 11.930 -4.725 1.00 0.00 C ATOM 1230 O LEU A 83 10.259 12.274 -5.689 1.00 0.00 O ATOM 1231 CB LEU A 83 9.347 9.715 -3.585 1.00 0.00 C ATOM 1232 CG LEU A 83 8.735 8.317 -3.491 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.469 7.482 -2.453 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.253 8.405 -3.156 1.00 0.00 C ATOM 0 H LEU A 83 9.897 9.423 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 83 7.776 10.788 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.427 9.611 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.163 10.234 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 83 8.840 7.829 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.020 6.490 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.518 7.391 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.396 7.966 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.834 7.401 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.126 8.912 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.736 8.966 -3.935 1.00 0.00 H new ATOM 1246 N GLU A 84 9.435 12.674 -3.634 1.00 0.00 N ATOM 1247 CA GLU A 84 10.090 13.972 -3.505 1.00 0.00 C ATOM 1248 C GLU A 84 11.029 13.990 -2.302 1.00 0.00 C ATOM 1249 O GLU A 84 10.596 13.829 -1.161 1.00 0.00 O ATOM 1250 CB GLU A 84 9.048 15.083 -3.371 1.00 0.00 C ATOM 1251 CG GLU A 84 8.318 15.393 -4.667 1.00 0.00 C ATOM 1252 CD GLU A 84 7.615 16.737 -4.633 1.00 0.00 C ATOM 1253 OE1 GLU A 84 6.862 16.988 -3.670 1.00 0.00 O ATOM 1254 OE2 GLU A 84 7.819 17.536 -5.571 1.00 0.00 O ATOM 0 H GLU A 84 8.873 12.402 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 84 10.679 14.145 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.319 14.796 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.539 15.989 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.030 15.380 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.587 14.609 -4.864 1.00 0.00 H new ATOM 1261 N LYS A 85 12.315 14.188 -2.566 1.00 0.00 N ATOM 1262 CA LYS A 85 13.316 14.229 -1.506 1.00 0.00 C ATOM 1263 C LYS A 85 13.012 15.347 -0.514 1.00 0.00 C ATOM 1264 O LYS A 85 12.427 16.367 -0.873 1.00 0.00 O ATOM 1265 CB LYS A 85 14.712 14.427 -2.102 1.00 0.00 C ATOM 1266 CG LYS A 85 15.431 13.126 -2.411 1.00 0.00 C ATOM 1267 CD LYS A 85 16.353 13.269 -3.610 1.00 0.00 C ATOM 1268 CE LYS A 85 15.633 12.939 -4.909 1.00 0.00 C ATOM 1269 NZ LYS A 85 14.974 14.138 -5.497 1.00 0.00 N ATOM 0 H LYS A 85 12.690 14.323 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 85 13.286 13.278 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.627 15.012 -3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.316 15.010 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.009 12.814 -1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.699 12.342 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.738 14.288 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.212 12.609 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.345 12.528 -5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.885 12.168 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.778 13.968 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.081 14.324 -4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.602 14.961 -5.401 1.00 0.00 H new ATOM 1283 N GLY A 86 13.416 15.148 0.738 1.00 0.00 N ATOM 1284 CA GLY A 86 13.179 16.148 1.762 1.00 0.00 C ATOM 1285 C GLY A 86 11.717 16.248 2.148 1.00 0.00 C ATOM 1286 O GLY A 86 11.310 17.193 2.824 1.00 0.00 O ATOM 0 H GLY A 86 13.903 14.312 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.769 15.905 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.524 17.118 1.405 1.00 0.00 H new ATOM 1290 N ILE A 87 10.925 15.272 1.716 1.00 0.00 N ATOM 1291 CA ILE A 87 9.500 15.254 2.021 1.00 0.00 C ATOM 1292 C ILE A 87 9.096 13.945 2.689 1.00 0.00 C ATOM 1293 O ILE A 87 9.079 12.890 2.054 1.00 0.00 O ATOM 1294 CB ILE A 87 8.651 15.453 0.751 1.00 0.00 C ATOM 1295 CG1 ILE A 87 8.887 16.847 0.167 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.176 15.247 1.063 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.486 17.969 1.097 1.00 0.00 C ATOM 0 H ILE A 87 11.246 14.484 1.154 1.00 0.00 H new ATOM 0 HA ILE A 87 9.314 16.080 2.707 1.00 0.00 H new ATOM 0 HB ILE A 87 8.953 14.713 0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.943 16.953 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.328 16.941 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.589 15.391 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.021 14.236 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.860 15.967 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.682 18.928 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.424 17.889 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.063 17.901 2.019 1.00 0.00 H new ATOM 1309 N SER A 88 8.770 14.019 3.976 1.00 0.00 N ATOM 1310 CA SER A 88 8.368 12.839 4.731 1.00 0.00 C ATOM 1311 C SER A 88 6.963 12.394 4.338 1.00 0.00 C ATOM 1312 O SER A 88 6.077 13.221 4.117 1.00 0.00 O ATOM 1313 CB SER A 88 8.422 13.126 6.233 1.00 0.00 C ATOM 1314 OG SER A 88 9.394 14.114 6.529 1.00 0.00 O ATOM 0 H SER A 88 8.777 14.884 4.517 1.00 0.00 H new ATOM 0 HA SER A 88 9.064 12.034 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.443 13.459 6.578 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.655 12.209 6.774 1.00 0.00 H new ATOM 0 HG SER A 88 9.408 14.281 7.495 1.00 0.00 H new ATOM 1320 N TYR A 89 6.767 11.083 4.252 1.00 0.00 N ATOM 1321 CA TYR A 89 5.470 10.527 3.882 1.00 0.00 C ATOM 1322 C TYR A 89 5.395 9.043 4.230 1.00 0.00 C ATOM 1323 O TYR A 89 6.408 8.410 4.527 1.00 0.00 O ATOM 1324 CB TYR A 89 5.213 10.726 2.388 1.00 0.00 C ATOM 1325 CG TYR A 89 6.477 10.801 1.561 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.469 9.836 1.684 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.680 11.838 0.658 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.626 9.900 0.931 1.00 0.00 C ATOM 1329 CE2 TYR A 89 7.833 11.909 -0.100 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.803 10.938 0.041 1.00 0.00 C ATOM 1331 OH TYR A 89 9.953 11.007 -0.711 1.00 0.00 O ATOM 0 H TYR A 89 7.489 10.386 4.433 1.00 0.00 H new ATOM 0 HA TYR A 89 4.702 11.054 4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.597 9.905 2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.640 11.642 2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.334 9.022 2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 89 5.924 12.601 0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.387 9.141 1.039 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.974 12.720 -0.799 1.00 0.00 H new ATOM 0 HH TYR A 89 10.183 11.946 -0.872 1.00 0.00 H new ATOM 1341 N LYS A 90 4.186 8.493 4.189 1.00 0.00 N ATOM 1342 CA LYS A 90 3.975 7.084 4.497 1.00 0.00 C ATOM 1343 C LYS A 90 3.535 6.316 3.254 1.00 0.00 C ATOM 1344 O LYS A 90 3.449 6.878 2.162 1.00 0.00 O ATOM 1345 CB LYS A 90 2.926 6.933 5.600 1.00 0.00 C ATOM 1346 CG LYS A 90 3.317 7.602 6.906 1.00 0.00 C ATOM 1347 CD LYS A 90 2.219 7.476 7.949 1.00 0.00 C ATOM 1348 CE LYS A 90 2.503 8.342 9.166 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.249 8.819 9.813 1.00 0.00 N ATOM 0 H LYS A 90 3.337 9.003 3.945 1.00 0.00 H new ATOM 0 HA LYS A 90 4.921 6.668 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.983 7.355 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.753 5.872 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.234 7.152 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.530 8.656 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.264 7.766 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.126 6.434 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.090 7.773 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.107 9.199 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.486 9.406 10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.700 9.383 9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.684 8.002 10.120 1.00 0.00 H new ATOM 1363 N PHE A 91 3.256 5.028 3.428 1.00 0.00 N ATOM 1364 CA PHE A 91 2.824 4.183 2.321 1.00 0.00 C ATOM 1365 C PHE A 91 1.831 3.127 2.798 1.00 0.00 C ATOM 1366 O PHE A 91 1.856 2.716 3.958 1.00 0.00 O ATOM 1367 CB PHE A 91 4.031 3.507 1.667 1.00 0.00 C ATOM 1368 CG PHE A 91 5.068 4.476 1.178 1.00 0.00 C ATOM 1369 CD1 PHE A 91 5.985 5.032 2.055 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.128 4.829 -0.160 1.00 0.00 C ATOM 1371 CE1 PHE A 91 6.941 5.925 1.607 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.082 5.721 -0.615 1.00 0.00 C ATOM 1373 CZ PHE A 91 6.990 6.268 0.271 1.00 0.00 C ATOM 0 H PHE A 91 3.321 4.547 4.325 1.00 0.00 H new ATOM 0 HA PHE A 91 2.328 4.816 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.490 2.827 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.688 2.901 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.953 4.765 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.421 4.403 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.648 6.353 2.302 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.117 5.989 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.737 6.963 -0.081 1.00 0.00 H new ATOM 1383 N ARG A 92 0.960 2.692 1.894 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.042 1.685 2.222 1.00 0.00 C ATOM 1385 C ARG A 92 -0.275 0.745 1.044 1.00 0.00 C ATOM 1386 O ARG A 92 0.367 0.870 0.000 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.359 2.356 2.620 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.179 3.738 3.225 1.00 0.00 C ATOM 1389 CD ARG A 92 -2.519 4.401 3.508 1.00 0.00 C ATOM 1390 NE ARG A 92 -2.991 5.188 2.373 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.218 5.690 2.285 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.091 5.487 3.261 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -4.573 6.396 1.219 1.00 0.00 N ATOM 0 H ARG A 92 0.928 3.021 0.929 1.00 0.00 H new ATOM 0 HA ARG A 92 0.330 1.100 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.998 2.434 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.879 1.720 3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.608 3.660 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.600 4.362 2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.257 3.637 3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.427 5.045 4.382 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.343 5.362 1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.821 4.945 4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.032 5.873 3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.904 6.554 0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.515 6.781 1.153 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.196 -0.197 1.217 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.514 -1.158 0.167 1.00 0.00 C ATOM 1409 C VAL A 93 -3.006 -1.469 0.139 1.00 0.00 C ATOM 1410 O VAL A 93 -3.640 -1.616 1.184 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.732 -2.473 0.355 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.075 -3.460 -0.750 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.765 -2.200 0.392 1.00 0.00 C ATOM 0 H VAL A 93 -1.735 -0.316 2.074 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.223 -0.701 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.022 -2.916 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.514 -4.382 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.143 -3.677 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.815 -3.029 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.303 -3.139 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.073 -1.735 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.992 -1.531 1.222 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.562 -1.566 -1.064 1.00 0.00 N ATOM 1424 CA ARG A 94 -4.982 -1.857 -1.228 1.00 0.00 C ATOM 1425 C ARG A 94 -5.186 -3.051 -2.156 1.00 0.00 C ATOM 1426 O ARG A 94 -4.433 -3.247 -3.109 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.714 -0.635 -1.783 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.076 0.392 -0.722 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.302 1.197 -1.122 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.635 2.218 -0.131 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.539 3.169 -0.331 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.199 3.231 -1.479 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -8.786 4.061 0.619 1.00 0.00 N ATOM 0 H ARG A 94 -3.052 -1.448 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.393 -2.104 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.089 -0.159 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.625 -0.964 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.264 -0.113 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.233 1.065 -0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.124 1.673 -2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.151 0.525 -1.249 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.146 2.199 0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.013 2.547 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.893 3.963 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.281 4.016 1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.481 4.792 0.464 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.212 -3.846 -1.869 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.517 -5.020 -2.679 1.00 0.00 C ATOM 1449 C ALA A 95 -7.711 -4.762 -3.592 1.00 0.00 C ATOM 1450 O ALA A 95 -8.786 -4.375 -3.131 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.784 -6.222 -1.785 1.00 0.00 C ATOM 0 H ALA A 95 -6.845 -3.699 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.652 -5.233 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.010 -7.091 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.902 -6.427 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.631 -6.009 -1.133 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.516 -4.978 -4.888 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.577 -4.768 -5.867 1.00 0.00 C ATOM 1459 C LEU A 96 -8.878 -6.054 -6.628 1.00 0.00 C ATOM 1460 O LEU A 96 -8.019 -6.589 -7.327 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.182 -3.662 -6.847 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.461 -2.230 -6.391 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.460 -1.803 -5.329 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.421 -1.275 -7.577 1.00 0.00 C ATOM 0 H LEU A 96 -6.633 -5.298 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.477 -4.466 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.116 -3.754 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.708 -3.832 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.459 -2.197 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.675 -0.781 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.536 -2.469 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.451 -1.853 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.622 -0.260 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.436 -1.313 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.177 -1.568 -8.306 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.106 -6.545 -6.489 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.521 -7.768 -7.167 1.00 0.00 C ATOM 1478 C ASN A 97 -11.757 -7.522 -8.025 1.00 0.00 C ATOM 1479 O ASN A 97 -12.201 -6.385 -8.181 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.808 -8.869 -6.143 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.096 -8.627 -5.380 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.696 -7.556 -5.476 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.529 -9.625 -4.617 1.00 0.00 N ATOM 0 H ASN A 97 -10.830 -6.115 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.707 -8.088 -7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.867 -9.830 -6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.978 -8.932 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.391 -9.521 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.000 -10.496 -4.567 1.00 0.00 H new ATOM 1490 N MET A 98 -12.308 -8.596 -8.581 1.00 0.00 N ATOM 1491 CA MET A 98 -13.494 -8.497 -9.423 1.00 0.00 C ATOM 1492 C MET A 98 -14.717 -8.110 -8.598 1.00 0.00 C ATOM 1493 O MET A 98 -15.819 -7.968 -9.129 1.00 0.00 O ATOM 1494 CB MET A 98 -13.749 -9.823 -10.142 1.00 0.00 C ATOM 1495 CG MET A 98 -13.885 -11.008 -9.199 1.00 0.00 C ATOM 1496 SD MET A 98 -14.052 -12.576 -10.076 1.00 0.00 S ATOM 1497 CE MET A 98 -15.826 -12.641 -10.315 1.00 0.00 C ATOM 0 H MET A 98 -11.952 -9.545 -8.464 1.00 0.00 H new ATOM 0 HA MET A 98 -13.317 -7.718 -10.165 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.658 -9.736 -10.737 1.00 0.00 H new ATOM 0 HB3 MET A 98 -12.931 -10.014 -10.837 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.012 -11.051 -8.548 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.754 -10.860 -8.558 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.127 -13.667 -10.527 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.328 -12.295 -9.411 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.104 -12.001 -11.152 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.516 -7.940 -7.295 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.602 -7.569 -6.395 1.00 0.00 C ATOM 1509 C LEU A 99 -15.482 -6.110 -5.966 1.00 0.00 C ATOM 1510 O LEU A 99 -16.475 -5.466 -5.634 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.603 -8.476 -5.163 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.653 -9.980 -5.437 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.697 -10.759 -4.132 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.852 -10.324 -6.307 1.00 0.00 C ATOM 0 H LEU A 99 -13.611 -8.053 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.542 -7.694 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.708 -8.263 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.459 -8.211 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.748 -10.262 -5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.732 -11.827 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.806 -10.536 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.584 -10.473 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.871 -11.398 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.769 -10.027 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.777 -9.794 -7.256 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.256 -5.595 -5.979 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.027 -4.215 -5.592 1.00 0.00 C ATOM 1528 C GLY A 100 -12.669 -4.010 -4.952 1.00 0.00 C ATOM 1529 O GLY A 100 -11.784 -4.856 -5.075 1.00 0.00 O ATOM 0 H GLY A 100 -13.418 -6.109 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.111 -3.576 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.805 -3.903 -4.895 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.503 -2.882 -4.267 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.241 -2.568 -3.609 1.00 0.00 C ATOM 1535 C GLU A 101 -11.379 -2.671 -2.093 1.00 0.00 C ATOM 1536 O GLU A 101 -12.475 -2.540 -1.548 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.774 -1.163 -3.995 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.597 -0.052 -3.364 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.900 0.197 -4.099 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.970 -0.117 -5.306 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -13.851 0.704 -3.468 1.00 0.00 O ATOM 0 H GLU A 101 -13.226 -2.172 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.498 -3.293 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.731 -1.043 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.813 -1.062 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.812 -0.309 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.011 0.867 -3.350 1.00 0.00 H new ATOM 1548 N SER A 102 -10.258 -2.907 -1.417 1.00 0.00 N ATOM 1549 CA SER A 102 -10.254 -3.032 0.036 1.00 0.00 C ATOM 1550 C SER A 102 -9.812 -1.727 0.692 1.00 0.00 C ATOM 1551 O SER A 102 -9.386 -0.793 0.014 1.00 0.00 O ATOM 1552 CB SER A 102 -9.330 -4.172 0.468 1.00 0.00 C ATOM 1553 OG SER A 102 -7.968 -3.814 0.303 1.00 0.00 O ATOM 0 H SER A 102 -9.342 -3.015 -1.852 1.00 0.00 H new ATOM 0 HA SER A 102 -11.270 -3.255 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.520 -4.423 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.549 -5.064 -0.119 1.00 0.00 H new ATOM 0 HG SER A 102 -7.397 -4.558 0.587 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.918 -1.673 2.016 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.530 -0.483 2.764 1.00 0.00 C ATOM 1561 C GLU A 103 -8.018 -0.287 2.730 1.00 0.00 C ATOM 1562 O GLU A 103 -7.250 -1.225 2.511 1.00 0.00 O ATOM 1563 CB GLU A 103 -10.009 -0.586 4.214 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.492 -0.305 4.386 1.00 0.00 C ATOM 1565 CD GLU A 103 -12.333 -1.566 4.357 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.846 -2.591 3.835 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -13.478 -1.529 4.855 1.00 0.00 O ATOM 0 H GLU A 103 -10.269 -2.438 2.592 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.001 0.380 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.791 -1.586 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.442 0.115 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.652 0.212 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.825 0.367 3.595 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.578 0.960 2.951 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.153 1.310 2.951 1.00 0.00 C ATOM 1576 C PRO A 104 -5.414 0.731 4.152 1.00 0.00 C ATOM 1577 O PRO A 104 -5.698 1.084 5.296 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.163 2.839 3.014 1.00 0.00 C ATOM 1579 CG PRO A 104 -7.461 3.183 3.660 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.436 2.127 3.220 1.00 0.00 C ATOM 0 HA PRO A 104 -5.635 0.910 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.320 3.217 3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.088 3.277 2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.365 3.197 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.797 4.175 3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.173 1.914 3.994 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.987 2.434 2.331 1.00 0.00 H new ATOM 1588 N SER A 105 -4.465 -0.161 3.884 1.00 0.00 N ATOM 1589 CA SER A 105 -3.687 -0.790 4.944 1.00 0.00 C ATOM 1590 C SER A 105 -3.036 0.261 5.838 1.00 0.00 C ATOM 1591 O SER A 105 -2.684 1.348 5.382 1.00 0.00 O ATOM 1592 CB SER A 105 -2.615 -1.702 4.345 1.00 0.00 C ATOM 1593 OG SER A 105 -1.592 -0.946 3.720 1.00 0.00 O ATOM 0 H SER A 105 -4.217 -0.464 2.942 1.00 0.00 H new ATOM 0 HA SER A 105 -4.365 -1.389 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.184 -2.325 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.070 -2.374 3.618 1.00 0.00 H new ATOM 0 HG SER A 105 -0.972 -0.609 4.400 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.879 -0.072 7.115 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.269 0.841 8.074 1.00 0.00 C ATOM 1601 C ALA A 106 -1.206 1.706 7.407 1.00 0.00 C ATOM 1602 O ALA A 106 -0.453 1.253 6.544 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.667 0.062 9.235 1.00 0.00 C ATOM 0 H ALA A 106 -3.166 -0.968 7.510 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.048 1.500 8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.215 0.756 9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.450 -0.508 9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.905 -0.620 8.859 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.141 2.983 7.814 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.173 3.939 7.267 1.00 0.00 C ATOM 1611 C PRO A 107 1.256 3.627 7.698 1.00 0.00 C ATOM 1612 O PRO A 107 1.679 3.994 8.794 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.628 5.278 7.854 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.350 4.917 9.105 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.007 3.591 8.837 1.00 0.00 C ATOM 0 HA PRO A 107 -0.152 3.920 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.222 5.929 8.061 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.278 5.813 7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.661 4.848 9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.091 5.675 9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.057 2.978 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.029 3.714 8.477 1.00 0.00 H new ATOM 1623 N SER A 108 1.996 2.948 6.828 1.00 0.00 N ATOM 1624 CA SER A 108 3.378 2.584 7.119 1.00 0.00 C ATOM 1625 C SER A 108 4.120 3.747 7.770 1.00 0.00 C ATOM 1626 O SER A 108 3.828 4.913 7.500 1.00 0.00 O ATOM 1627 CB SER A 108 4.097 2.157 5.838 1.00 0.00 C ATOM 1628 OG SER A 108 4.696 3.269 5.196 1.00 0.00 O ATOM 0 H SER A 108 1.662 2.639 5.915 1.00 0.00 H new ATOM 0 HA SER A 108 3.368 1.746 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.860 1.415 6.075 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.388 1.680 5.161 1.00 0.00 H new ATOM 0 HG SER A 108 5.579 3.436 5.587 1.00 0.00 H new ATOM 1634 N ARG A 109 5.083 3.421 8.626 1.00 0.00 N ATOM 1635 CA ARG A 109 5.867 4.437 9.317 1.00 0.00 C ATOM 1636 C ARG A 109 6.341 5.513 8.344 1.00 0.00 C ATOM 1637 O ARG A 109 6.530 5.267 7.152 1.00 0.00 O ATOM 1638 CB ARG A 109 7.070 3.799 10.013 1.00 0.00 C ATOM 1639 CG ARG A 109 6.691 2.769 11.064 1.00 0.00 C ATOM 1640 CD ARG A 109 7.758 1.696 11.204 1.00 0.00 C ATOM 1641 NE ARG A 109 7.447 0.752 12.275 1.00 0.00 N ATOM 1642 CZ ARG A 109 8.193 -0.311 12.557 1.00 0.00 C ATOM 1643 NH1 ARG A 109 9.286 -0.563 11.851 1.00 0.00 N ATOM 1644 NH2 ARG A 109 7.845 -1.124 13.546 1.00 0.00 N ATOM 0 H ARG A 109 5.339 2.461 8.857 1.00 0.00 H new ATOM 0 HA ARG A 109 5.228 4.904 10.067 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.703 3.324 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.665 4.583 10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.544 3.264 12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.741 2.306 10.795 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.855 1.156 10.262 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.721 2.166 11.403 1.00 0.00 H new ATOM 0 HE ARG A 109 6.612 0.918 12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.556 0.060 11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.857 -1.379 12.069 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.004 -0.933 14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.418 -1.940 13.761 1.00 0.00 H new ATOM 1658 N PRO A 110 6.538 6.735 8.861 1.00 0.00 N ATOM 1659 CA PRO A 110 6.991 7.872 8.054 1.00 0.00 C ATOM 1660 C PRO A 110 8.441 7.722 7.605 1.00 0.00 C ATOM 1661 O PRO A 110 9.350 7.628 8.430 1.00 0.00 O ATOM 1662 CB PRO A 110 6.847 9.062 9.007 1.00 0.00 C ATOM 1663 CG PRO A 110 6.945 8.470 10.370 1.00 0.00 C ATOM 1664 CD PRO A 110 6.332 7.100 10.272 1.00 0.00 C ATOM 0 HA PRO A 110 6.417 7.974 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.631 9.801 8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.894 9.571 8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 110 7.983 8.410 10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.416 9.083 11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.818 6.393 10.945 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.274 7.113 10.533 1.00 0.00 H new ATOM 1672 N TYR A 111 8.649 7.702 6.293 1.00 0.00 N ATOM 1673 CA TYR A 111 9.988 7.561 5.734 1.00 0.00 C ATOM 1674 C TYR A 111 10.439 8.857 5.067 1.00 0.00 C ATOM 1675 O TYR A 111 9.804 9.341 4.130 1.00 0.00 O ATOM 1676 CB TYR A 111 10.024 6.415 4.722 1.00 0.00 C ATOM 1677 CG TYR A 111 11.417 6.062 4.256 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.036 6.783 3.242 1.00 0.00 C ATOM 1679 CD2 TYR A 111 12.117 5.008 4.830 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.309 6.464 2.813 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.392 4.681 4.407 1.00 0.00 C ATOM 1682 CZ TYR A 111 13.983 5.413 3.398 1.00 0.00 C ATOM 1683 OH TYR A 111 15.252 5.092 2.974 1.00 0.00 O ATOM 0 H TYR A 111 7.908 7.782 5.597 1.00 0.00 H new ATOM 0 HA TYR A 111 10.673 7.336 6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.565 5.533 5.168 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.419 6.686 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.512 7.607 2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.657 4.434 5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.774 7.035 2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.922 3.858 4.863 1.00 0.00 H new ATOM 0 HH TYR A 111 15.704 5.900 2.653 1.00 0.00 H new ATOM 1693 N VAL A 112 11.540 9.416 5.559 1.00 0.00 N ATOM 1694 CA VAL A 112 12.079 10.655 5.010 1.00 0.00 C ATOM 1695 C VAL A 112 13.150 10.373 3.962 1.00 0.00 C ATOM 1696 O VAL A 112 14.287 10.041 4.294 1.00 0.00 O ATOM 1697 CB VAL A 112 12.681 11.543 6.117 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.236 12.830 5.525 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.638 11.844 7.184 1.00 0.00 C ATOM 0 H VAL A 112 12.076 9.031 6.337 1.00 0.00 H new ATOM 0 HA VAL A 112 11.248 11.182 4.542 1.00 0.00 H new ATOM 0 HB VAL A 112 13.503 11.002 6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.657 13.445 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.015 12.591 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.435 13.378 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.080 12.472 7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.794 12.365 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.292 10.911 7.628 1.00 0.00 H new ATOM 1709 N VAL A 113 12.777 10.508 2.693 1.00 0.00 N ATOM 1710 CA VAL A 113 13.705 10.269 1.595 1.00 0.00 C ATOM 1711 C VAL A 113 14.747 11.379 1.505 1.00 0.00 C ATOM 1712 O VAL A 113 14.433 12.511 1.135 1.00 0.00 O ATOM 1713 CB VAL A 113 12.966 10.164 0.248 1.00 0.00 C ATOM 1714 CG1 VAL A 113 13.933 10.359 -0.909 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.252 8.825 0.137 1.00 0.00 C ATOM 0 H VAL A 113 11.839 10.782 2.401 1.00 0.00 H new ATOM 0 HA VAL A 113 14.203 9.322 1.802 1.00 0.00 H new ATOM 0 HB VAL A 113 12.218 10.955 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.392 10.281 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.395 11.344 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.706 9.592 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.735 8.767 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.981 8.017 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.528 8.730 0.947 1.00 0.00 H new ATOM 1725 N SER A 114 15.988 11.047 1.845 1.00 0.00 N ATOM 1726 CA SER A 114 17.077 12.017 1.805 1.00 0.00 C ATOM 1727 C SER A 114 18.218 11.517 0.924 1.00 0.00 C ATOM 1728 O SER A 114 19.381 11.538 1.325 1.00 0.00 O ATOM 1729 CB SER A 114 17.592 12.295 3.219 1.00 0.00 C ATOM 1730 OG SER A 114 18.520 13.365 3.222 1.00 0.00 O ATOM 0 H SER A 114 16.265 10.114 2.151 1.00 0.00 H new ATOM 0 HA SER A 114 16.691 12.943 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.754 12.534 3.874 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.065 11.398 3.620 1.00 0.00 H new ATOM 0 HG SER A 114 19.249 13.168 2.597 1.00 0.00 H new