USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 709 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 105 GLN : amide:sc= -0.158 X(o=0.062,f=-0.3) USER MOD Set 1.2: A 106 TYR OH : rot 100:sc= 0.22 USER MOD Set 2.1: A 65 ASN : amide:sc= -0.779 K(o=-0.33,f=-1.6) USER MOD Set 2.2: A 71 THR OG1 : rot 22:sc= 0.454 USER MOD Set 3.1: A 50 CYS SG : rot 180:sc= 0.206 USER MOD Set 3.2: A 59 THR OG1 : rot -64:sc= 0.217 USER MOD Single : A 11 CYS SG : rot 23:sc= 0.00239 USER MOD Single : A 13 ASN : amide:sc= 0.366 K(o=0.37,f=-1.7!) USER MOD Single : A 14 HIS : no HD1:sc= -4.95! C(o=-4.9!,f=-4.8!) USER MOD Single : A 16 ASN : amide:sc= -0.557 K(o=-0.56,f=-3.6) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 28:sc= 0.0566 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 90:sc= 0.519 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.1) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= -0.448 (180deg=-0.657) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -1.97! C(o=-2!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 2.222 -0.165 -12.109 1.00 0.00 N ATOM 114 CA CYS A 11 3.416 0.395 -11.487 1.00 0.00 C ATOM 115 C CYS A 11 3.208 0.595 -9.989 1.00 0.00 C ATOM 116 O CYS A 11 4.161 0.823 -9.245 1.00 0.00 O ATOM 117 CB CYS A 11 3.783 1.727 -12.145 1.00 0.00 C ATOM 118 SG CYS A 11 3.738 1.694 -13.952 1.00 0.00 S ATOM 0 HA CYS A 11 4.234 -0.311 -11.630 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.098 2.497 -11.789 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.783 2.016 -11.822 1.00 0.00 H new ATOM 0 HG CYS A 11 2.966 0.726 -14.349 1.00 0.00 H new ATOM 124 N TRP A 12 1.955 0.509 -9.556 1.00 0.00 N ATOM 125 CA TRP A 12 1.621 0.682 -8.147 1.00 0.00 C ATOM 126 C TRP A 12 1.905 -0.592 -7.359 1.00 0.00 C ATOM 127 O TRP A 12 1.847 -0.599 -6.131 1.00 0.00 O ATOM 128 CB TRP A 12 0.150 1.073 -7.994 1.00 0.00 C ATOM 129 CG TRP A 12 -0.784 0.171 -8.743 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.424 0.446 -9.918 1.00 0.00 C ATOM 131 CD2 TRP A 12 -1.186 -1.151 -8.365 1.00 0.00 C ATOM 132 NE1 TRP A 12 -2.198 -0.625 -10.293 1.00 0.00 N ATOM 133 CE2 TRP A 12 -2.069 -1.618 -9.359 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.883 -1.986 -7.287 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.651 -2.881 -9.302 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.462 -3.239 -7.232 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.338 -3.678 -8.235 1.00 0.00 C ATOM 0 H TRP A 12 1.155 0.321 -10.160 1.00 0.00 H new ATOM 0 HA TRP A 12 2.246 1.481 -7.748 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -0.114 1.061 -6.937 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.015 2.096 -8.344 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.335 1.370 -10.471 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.776 -0.673 -11.132 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.208 -1.658 -6.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.326 -3.220 -10.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.236 -3.892 -6.402 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.774 -4.664 -8.164 1.00 0.00 H new ATOM 148 N ASN A 13 2.214 -1.669 -8.075 1.00 0.00 N ATOM 149 CA ASN A 13 2.507 -2.949 -7.442 1.00 0.00 C ATOM 150 C ASN A 13 3.988 -3.293 -7.570 1.00 0.00 C ATOM 151 O ASN A 13 4.380 -4.088 -8.426 1.00 0.00 O ATOM 152 CB ASN A 13 1.659 -4.058 -8.069 1.00 0.00 C ATOM 153 CG ASN A 13 1.622 -5.311 -7.215 1.00 0.00 C ATOM 154 OD1 ASN A 13 2.661 -5.818 -6.793 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.421 -5.815 -6.956 1.00 0.00 N ATOM 0 H ASN A 13 2.268 -1.680 -9.094 1.00 0.00 H new ATOM 0 HA ASN A 13 2.261 -2.867 -6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.643 -3.694 -8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.058 -4.304 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.333 -6.656 -6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.414 -5.361 -7.327 1.00 0.00 H new ATOM 162 N HIS A 14 4.806 -2.690 -6.714 1.00 0.00 N ATOM 163 CA HIS A 14 6.245 -2.932 -6.731 1.00 0.00 C ATOM 164 C HIS A 14 6.550 -4.406 -6.477 1.00 0.00 C ATOM 165 O HIS A 14 7.148 -5.079 -7.314 1.00 0.00 O ATOM 166 CB HIS A 14 6.941 -2.067 -5.680 1.00 0.00 C ATOM 167 CG HIS A 14 6.967 -0.610 -6.026 1.00 0.00 C ATOM 168 ND1 HIS A 14 8.119 0.148 -6.008 1.00 0.00 N ATOM 169 CD2 HIS A 14 5.973 0.228 -6.403 1.00 0.00 C ATOM 170 CE1 HIS A 14 7.832 1.390 -6.357 1.00 0.00 C ATOM 171 NE2 HIS A 14 6.536 1.465 -6.602 1.00 0.00 N ATOM 0 H HIS A 14 4.498 -2.030 -6.000 1.00 0.00 H new ATOM 0 HA HIS A 14 6.623 -2.665 -7.718 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.436 -2.196 -4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.964 -2.420 -5.551 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.931 -0.028 -6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.537 2.205 -6.430 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.035 2.305 -6.892 1.00 0.00 H new ATOM 180 N GLY A 15 6.135 -4.899 -5.314 1.00 0.00 N ATOM 181 CA GLY A 15 6.374 -6.289 -4.970 1.00 0.00 C ATOM 182 C GLY A 15 6.995 -6.448 -3.597 1.00 0.00 C ATOM 183 O GLY A 15 6.540 -5.841 -2.628 1.00 0.00 O ATOM 0 H GLY A 15 5.638 -4.361 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.432 -6.836 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.030 -6.737 -5.716 1.00 0.00 H new ATOM 187 N ASN A 16 8.038 -7.267 -3.512 1.00 0.00 N ATOM 188 CA ASN A 16 8.722 -7.506 -2.246 1.00 0.00 C ATOM 189 C ASN A 16 9.762 -6.423 -1.977 1.00 0.00 C ATOM 190 O ASN A 16 10.866 -6.459 -2.521 1.00 0.00 O ATOM 191 CB ASN A 16 9.393 -8.881 -2.256 1.00 0.00 C ATOM 192 CG ASN A 16 8.388 -10.013 -2.354 1.00 0.00 C ATOM 193 OD1 ASN A 16 7.191 -9.783 -2.527 1.00 0.00 O ATOM 194 ND2 ASN A 16 8.873 -11.245 -2.242 1.00 0.00 N ATOM 0 H ASN A 16 8.428 -7.777 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 16 7.979 -7.478 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.085 -8.939 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.984 -9.001 -1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.246 -12.047 -2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.873 -11.389 -2.099 1.00 0.00 H new ATOM 201 N ILE A 17 9.402 -5.461 -1.134 1.00 0.00 N ATOM 202 CA ILE A 17 10.304 -4.368 -0.792 1.00 0.00 C ATOM 203 C ILE A 17 10.279 -4.083 0.706 1.00 0.00 C ATOM 204 O ILE A 17 9.248 -4.240 1.362 1.00 0.00 O ATOM 205 CB ILE A 17 9.944 -3.080 -1.554 1.00 0.00 C ATOM 206 CG1 ILE A 17 8.583 -2.552 -1.094 1.00 0.00 C ATOM 207 CG2 ILE A 17 9.938 -3.336 -3.054 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.297 -1.139 -1.550 1.00 0.00 C ATOM 0 H ILE A 17 8.492 -5.416 -0.675 1.00 0.00 H new ATOM 0 HA ILE A 17 11.306 -4.684 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 17 10.699 -2.324 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.801 -3.212 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.537 -2.590 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.682 -2.416 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.926 -3.671 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.202 -4.105 -3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.316 -0.831 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.058 -0.467 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.311 -1.098 -2.639 1.00 0.00 H new ATOM 220 N THR A 18 11.420 -3.662 1.242 1.00 0.00 N ATOM 221 CA THR A 18 11.529 -3.354 2.663 1.00 0.00 C ATOM 222 C THR A 18 10.681 -2.141 3.029 1.00 0.00 C ATOM 223 O THR A 18 10.264 -1.378 2.158 1.00 0.00 O ATOM 224 CB THR A 18 12.990 -3.086 3.069 1.00 0.00 C ATOM 225 OG1 THR A 18 13.048 -2.645 4.430 1.00 0.00 O ATOM 226 CG2 THR A 18 13.620 -2.038 2.164 1.00 0.00 C ATOM 0 H THR A 18 12.282 -3.526 0.714 1.00 0.00 H new ATOM 0 HA THR A 18 11.163 -4.226 3.205 1.00 0.00 H new ATOM 0 HB THR A 18 13.549 -4.016 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.981 -2.479 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.652 -1.866 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.602 -2.390 1.132 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.059 -1.107 2.240 1.00 0.00 H new ATOM 234 N ARG A 19 10.431 -1.969 4.323 1.00 0.00 N ATOM 235 CA ARG A 19 9.632 -0.848 4.804 1.00 0.00 C ATOM 236 C ARG A 19 10.332 0.478 4.524 1.00 0.00 C ATOM 237 O ARG A 19 9.693 1.528 4.461 1.00 0.00 O ATOM 238 CB ARG A 19 9.367 -0.990 6.304 1.00 0.00 C ATOM 239 CG ARG A 19 8.488 0.112 6.874 1.00 0.00 C ATOM 240 CD ARG A 19 8.019 -0.222 8.281 1.00 0.00 C ATOM 241 NE ARG A 19 7.709 0.978 9.053 1.00 0.00 N ATOM 242 CZ ARG A 19 7.043 0.960 10.203 1.00 0.00 C ATOM 243 NH1 ARG A 19 6.620 -0.189 10.710 1.00 0.00 N ATOM 244 NH2 ARG A 19 6.799 2.094 10.847 1.00 0.00 N ATOM 0 H ARG A 19 10.770 -2.591 5.057 1.00 0.00 H new ATOM 0 HA ARG A 19 8.681 -0.857 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.894 -1.954 6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.320 -0.994 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.042 1.051 6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.624 0.261 6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.135 -0.857 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.792 -0.794 8.795 1.00 0.00 H new ATOM 0 HE ARG A 19 8.020 1.879 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.805 -1.063 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.109 -0.200 11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.123 2.980 10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.288 2.079 11.730 1.00 0.00 H new ATOM 258 N SER A 20 11.650 0.422 4.357 1.00 0.00 N ATOM 259 CA SER A 20 12.438 1.620 4.088 1.00 0.00 C ATOM 260 C SER A 20 12.288 2.053 2.633 1.00 0.00 C ATOM 261 O SER A 20 12.443 3.229 2.303 1.00 0.00 O ATOM 262 CB SER A 20 13.913 1.368 4.407 1.00 0.00 C ATOM 263 OG SER A 20 14.677 2.551 4.253 1.00 0.00 O ATOM 0 H SER A 20 12.194 -0.439 4.403 1.00 0.00 H new ATOM 0 HA SER A 20 12.067 2.421 4.728 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.010 0.999 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.303 0.591 3.749 1.00 0.00 H new ATOM 0 HG SER A 20 15.616 2.364 4.464 1.00 0.00 H new ATOM 269 N LYS A 21 11.985 1.094 1.765 1.00 0.00 N ATOM 270 CA LYS A 21 11.813 1.373 0.344 1.00 0.00 C ATOM 271 C LYS A 21 10.416 1.919 0.063 1.00 0.00 C ATOM 272 O LYS A 21 10.264 2.963 -0.571 1.00 0.00 O ATOM 273 CB LYS A 21 12.052 0.106 -0.479 1.00 0.00 C ATOM 274 CG LYS A 21 12.340 0.378 -1.946 1.00 0.00 C ATOM 275 CD LYS A 21 13.759 0.880 -2.151 1.00 0.00 C ATOM 276 CE LYS A 21 14.027 1.212 -3.611 1.00 0.00 C ATOM 277 NZ LYS A 21 15.246 2.051 -3.775 1.00 0.00 N ATOM 0 H LYS A 21 11.853 0.115 2.021 1.00 0.00 H new ATOM 0 HA LYS A 21 12.545 2.128 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.889 -0.444 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.175 -0.537 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.189 -0.534 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.633 1.116 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.924 1.767 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.466 0.123 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.143 0.288 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.167 1.736 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.394 2.255 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.126 2.944 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.071 1.541 -3.401 1.00 0.00 H new ATOM 291 N ALA A 22 9.401 1.207 0.540 1.00 0.00 N ATOM 292 CA ALA A 22 8.017 1.622 0.342 1.00 0.00 C ATOM 293 C ALA A 22 7.802 3.056 0.814 1.00 0.00 C ATOM 294 O ALA A 22 7.083 3.827 0.179 1.00 0.00 O ATOM 295 CB ALA A 22 7.073 0.677 1.071 1.00 0.00 C ATOM 0 H ALA A 22 9.510 0.340 1.066 1.00 0.00 H new ATOM 0 HA ALA A 22 7.800 1.582 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.043 0.999 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.200 -0.334 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.299 0.688 2.137 1.00 0.00 H new ATOM 301 N GLU A 23 8.430 3.407 1.932 1.00 0.00 N ATOM 302 CA GLU A 23 8.304 4.749 2.490 1.00 0.00 C ATOM 303 C GLU A 23 9.150 5.746 1.703 1.00 0.00 C ATOM 304 O GLU A 23 8.648 6.766 1.233 1.00 0.00 O ATOM 305 CB GLU A 23 8.724 4.756 3.961 1.00 0.00 C ATOM 306 CG GLU A 23 7.673 4.184 4.897 1.00 0.00 C ATOM 307 CD GLU A 23 7.762 4.760 6.297 1.00 0.00 C ATOM 308 OE1 GLU A 23 8.562 5.697 6.503 1.00 0.00 O ATOM 309 OE2 GLU A 23 7.032 4.273 7.186 1.00 0.00 O ATOM 0 H GLU A 23 9.031 2.781 2.469 1.00 0.00 H new ATOM 0 HA GLU A 23 7.258 5.048 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.645 4.184 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.947 5.780 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.682 4.383 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.786 3.101 4.946 1.00 0.00 H new ATOM 316 N GLU A 24 10.437 5.442 1.566 1.00 0.00 N ATOM 317 CA GLU A 24 11.353 6.312 0.838 1.00 0.00 C ATOM 318 C GLU A 24 10.764 6.716 -0.510 1.00 0.00 C ATOM 319 O GLU A 24 10.764 7.893 -0.873 1.00 0.00 O ATOM 320 CB GLU A 24 12.699 5.613 0.630 1.00 0.00 C ATOM 321 CG GLU A 24 13.624 6.347 -0.327 1.00 0.00 C ATOM 322 CD GLU A 24 14.083 7.686 0.217 1.00 0.00 C ATOM 323 OE1 GLU A 24 14.109 7.845 1.456 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.416 8.574 -0.595 1.00 0.00 O ATOM 0 H GLU A 24 10.868 4.601 1.949 1.00 0.00 H new ATOM 0 HA GLU A 24 11.507 7.213 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.197 5.507 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.522 4.607 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.495 5.725 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.111 6.501 -1.276 1.00 0.00 H new ATOM 331 N LEU A 25 10.263 5.732 -1.249 1.00 0.00 N ATOM 332 CA LEU A 25 9.671 5.984 -2.558 1.00 0.00 C ATOM 333 C LEU A 25 8.620 7.086 -2.478 1.00 0.00 C ATOM 334 O LEU A 25 8.455 7.872 -3.412 1.00 0.00 O ATOM 335 CB LEU A 25 9.042 4.703 -3.110 1.00 0.00 C ATOM 336 CG LEU A 25 10.017 3.610 -3.546 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.322 2.258 -3.587 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.619 3.943 -4.904 1.00 0.00 C ATOM 0 H LEU A 25 10.255 4.753 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 25 10.464 6.312 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.381 4.289 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.418 4.967 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 25 10.824 3.558 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.033 1.493 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.940 2.015 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.494 2.296 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.311 3.154 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.823 4.023 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.154 4.890 -4.842 1.00 0.00 H new ATOM 350 N LEU A 26 7.912 7.141 -1.355 1.00 0.00 N ATOM 351 CA LEU A 26 6.878 8.149 -1.150 1.00 0.00 C ATOM 352 C LEU A 26 7.487 9.469 -0.688 1.00 0.00 C ATOM 353 O LEU A 26 7.098 10.540 -1.152 1.00 0.00 O ATOM 354 CB LEU A 26 5.856 7.659 -0.123 1.00 0.00 C ATOM 355 CG LEU A 26 5.103 6.378 -0.484 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.398 5.811 0.739 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.106 6.642 -1.602 1.00 0.00 C ATOM 0 H LEU A 26 8.035 6.499 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 26 6.375 8.316 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.371 7.499 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.126 8.452 0.040 1.00 0.00 H new ATOM 0 HG LEU A 26 5.825 5.642 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.867 4.900 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.134 5.583 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.687 6.543 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.580 5.719 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.387 7.395 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.636 7.001 -2.484 1.00 0.00 H new ATOM 369 N SER A 27 8.447 9.383 0.227 1.00 0.00 N ATOM 370 CA SER A 27 9.111 10.570 0.753 1.00 0.00 C ATOM 371 C SER A 27 9.682 11.420 -0.378 1.00 0.00 C ATOM 372 O SER A 27 9.316 12.584 -0.540 1.00 0.00 O ATOM 373 CB SER A 27 10.227 10.170 1.720 1.00 0.00 C ATOM 374 OG SER A 27 9.698 9.578 2.893 1.00 0.00 O ATOM 0 H SER A 27 8.783 8.503 0.620 1.00 0.00 H new ATOM 0 HA SER A 27 8.370 11.162 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.904 9.470 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.814 11.049 1.986 1.00 0.00 H new ATOM 0 HG SER A 27 10.432 9.330 3.494 1.00 0.00 H new ATOM 380 N ARG A 28 10.580 10.828 -1.158 1.00 0.00 N ATOM 381 CA ARG A 28 11.203 11.530 -2.274 1.00 0.00 C ATOM 382 C ARG A 28 10.151 12.214 -3.142 1.00 0.00 C ATOM 383 O ARG A 28 10.315 13.367 -3.543 1.00 0.00 O ATOM 384 CB ARG A 28 12.025 10.556 -3.122 1.00 0.00 C ATOM 385 CG ARG A 28 11.179 9.552 -3.887 1.00 0.00 C ATOM 386 CD ARG A 28 12.027 8.419 -4.444 1.00 0.00 C ATOM 387 NE ARG A 28 12.519 8.713 -5.787 1.00 0.00 N ATOM 388 CZ ARG A 28 13.598 9.448 -6.030 1.00 0.00 C ATOM 389 NH1 ARG A 28 14.295 9.961 -5.025 1.00 0.00 N ATOM 390 NH2 ARG A 28 13.983 9.671 -7.280 1.00 0.00 N ATOM 0 H ARG A 28 10.893 9.864 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 28 11.865 12.294 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.629 11.124 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.716 10.017 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.412 9.144 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.663 10.057 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.872 8.238 -3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.438 7.502 -4.466 1.00 0.00 H new ATOM 0 HE ARG A 28 12.006 8.333 -6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.003 9.791 -4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.123 10.525 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.450 9.278 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.812 10.236 -7.465 1.00 0.00 H new ATOM 404 N THR A 29 9.070 11.495 -3.430 1.00 0.00 N ATOM 405 CA THR A 29 7.992 12.031 -4.251 1.00 0.00 C ATOM 406 C THR A 29 7.551 13.403 -3.752 1.00 0.00 C ATOM 407 O THR A 29 7.543 14.375 -4.506 1.00 0.00 O ATOM 408 CB THR A 29 6.775 11.087 -4.267 1.00 0.00 C ATOM 409 OG1 THR A 29 7.192 9.757 -4.592 1.00 0.00 O ATOM 410 CG2 THR A 29 5.737 11.560 -5.274 1.00 0.00 C ATOM 0 H THR A 29 8.918 10.540 -3.106 1.00 0.00 H new ATOM 0 HA THR A 29 8.383 12.124 -5.264 1.00 0.00 H new ATOM 0 HB THR A 29 6.324 11.093 -3.275 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.553 9.322 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.887 10.878 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.401 12.562 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.179 11.580 -6.270 1.00 0.00 H new ATOM 418 N GLY A 30 7.185 13.474 -2.476 1.00 0.00 N ATOM 419 CA GLY A 30 6.748 14.731 -1.899 1.00 0.00 C ATOM 420 C GLY A 30 5.452 15.230 -2.507 1.00 0.00 C ATOM 421 O GLY A 30 5.408 16.311 -3.095 1.00 0.00 O ATOM 0 H GLY A 30 7.183 12.683 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.617 14.607 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.525 15.482 -2.041 1.00 0.00 H new ATOM 425 N LYS A 31 4.393 14.439 -2.369 1.00 0.00 N ATOM 426 CA LYS A 31 3.089 14.805 -2.910 1.00 0.00 C ATOM 427 C LYS A 31 1.974 14.443 -1.934 1.00 0.00 C ATOM 428 O LYS A 31 2.207 13.762 -0.935 1.00 0.00 O ATOM 429 CB LYS A 31 2.855 14.104 -4.250 1.00 0.00 C ATOM 430 CG LYS A 31 3.562 14.772 -5.418 1.00 0.00 C ATOM 431 CD LYS A 31 2.981 14.326 -6.749 1.00 0.00 C ATOM 432 CE LYS A 31 3.864 14.751 -7.912 1.00 0.00 C ATOM 433 NZ LYS A 31 3.126 14.733 -9.205 1.00 0.00 N ATOM 0 H LYS A 31 4.412 13.540 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 31 3.077 15.884 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.194 13.071 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.784 14.074 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.475 15.855 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.625 14.534 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.868 13.242 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.985 14.750 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.249 15.754 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.725 14.086 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.763 15.029 -9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.780 13.771 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.319 15.387 -9.153 1.00 0.00 H new ATOM 447 N ASP A 32 0.763 14.903 -2.230 1.00 0.00 N ATOM 448 CA ASP A 32 -0.388 14.625 -1.379 1.00 0.00 C ATOM 449 C ASP A 32 -1.371 13.693 -2.082 1.00 0.00 C ATOM 450 O ASP A 32 -2.572 13.954 -2.119 1.00 0.00 O ATOM 451 CB ASP A 32 -1.090 15.928 -0.994 1.00 0.00 C ATOM 452 CG ASP A 32 -1.185 16.900 -2.153 1.00 0.00 C ATOM 453 OD1 ASP A 32 -1.737 16.516 -3.205 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.706 18.045 -2.010 1.00 0.00 O ATOM 0 H ASP A 32 0.553 15.469 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.030 14.132 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.092 15.703 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.550 16.399 -0.172 1.00 0.00 H new ATOM 459 N GLY A 33 -0.850 12.604 -2.639 1.00 0.00 N ATOM 460 CA GLY A 33 -1.694 11.650 -3.334 1.00 0.00 C ATOM 461 C GLY A 33 -0.915 10.462 -3.862 1.00 0.00 C ATOM 462 O GLY A 33 -1.280 9.874 -4.880 1.00 0.00 O ATOM 0 H GLY A 33 0.142 12.366 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.472 11.298 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.195 12.150 -4.163 1.00 0.00 H new ATOM 466 N SER A 34 0.164 10.109 -3.169 1.00 0.00 N ATOM 467 CA SER A 34 1.001 8.986 -3.578 1.00 0.00 C ATOM 468 C SER A 34 0.519 7.688 -2.937 1.00 0.00 C ATOM 469 O SER A 34 0.019 7.686 -1.812 1.00 0.00 O ATOM 470 CB SER A 34 2.459 9.246 -3.197 1.00 0.00 C ATOM 471 OG SER A 34 2.881 10.526 -3.635 1.00 0.00 O ATOM 0 H SER A 34 0.479 10.584 -2.323 1.00 0.00 H new ATOM 0 HA SER A 34 0.928 8.885 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.574 9.172 -2.116 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.096 8.479 -3.638 1.00 0.00 H new ATOM 0 HG SER A 34 3.816 10.668 -3.377 1.00 0.00 H new ATOM 477 N PHE A 35 0.673 6.585 -3.663 1.00 0.00 N ATOM 478 CA PHE A 35 0.253 5.280 -3.167 1.00 0.00 C ATOM 479 C PHE A 35 0.994 4.159 -3.891 1.00 0.00 C ATOM 480 O PHE A 35 1.503 4.349 -4.996 1.00 0.00 O ATOM 481 CB PHE A 35 -1.257 5.105 -3.344 1.00 0.00 C ATOM 482 CG PHE A 35 -1.648 4.614 -4.709 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.660 5.477 -5.793 1.00 0.00 C ATOM 484 CD2 PHE A 35 -2.003 3.290 -4.907 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.019 5.029 -7.050 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.363 2.836 -6.162 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.372 3.706 -7.235 1.00 0.00 C ATOM 0 H PHE A 35 1.085 6.569 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 35 0.496 5.227 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.623 4.403 -2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.750 6.059 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.385 6.512 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.999 2.605 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.024 5.712 -7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.637 1.801 -6.304 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.654 3.353 -8.216 1.00 0.00 H new ATOM 497 N LEU A 36 1.051 2.992 -3.259 1.00 0.00 N ATOM 498 CA LEU A 36 1.731 1.840 -3.842 1.00 0.00 C ATOM 499 C LEU A 36 1.351 0.557 -3.110 1.00 0.00 C ATOM 500 O LEU A 36 0.638 0.589 -2.107 1.00 0.00 O ATOM 501 CB LEU A 36 3.247 2.038 -3.793 1.00 0.00 C ATOM 502 CG LEU A 36 3.849 2.270 -2.407 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.078 0.946 -1.696 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.150 3.052 -2.515 1.00 0.00 C ATOM 0 H LEU A 36 0.635 2.818 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 36 1.416 1.751 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.722 1.160 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.503 2.888 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 36 3.143 2.857 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.507 1.131 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.128 0.423 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.764 0.333 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.564 3.208 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.862 2.492 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.957 4.017 -2.983 1.00 0.00 H new ATOM 516 N VAL A 37 1.834 -0.573 -3.617 1.00 0.00 N ATOM 517 CA VAL A 37 1.548 -1.868 -3.010 1.00 0.00 C ATOM 518 C VAL A 37 2.820 -2.691 -2.848 1.00 0.00 C ATOM 519 O VAL A 37 3.732 -2.614 -3.672 1.00 0.00 O ATOM 520 CB VAL A 37 0.534 -2.669 -3.848 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.217 -3.997 -3.177 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.733 -1.858 -4.069 1.00 0.00 C ATOM 0 H VAL A 37 2.425 -0.618 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 37 1.119 -1.670 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 37 0.978 -2.878 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.501 -4.549 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.132 -4.581 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.207 -3.814 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.438 -2.439 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.183 -1.616 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.488 -0.936 -4.597 1.00 0.00 H new ATOM 532 N ARG A 38 2.875 -3.480 -1.779 1.00 0.00 N ATOM 533 CA ARG A 38 4.037 -4.319 -1.508 1.00 0.00 C ATOM 534 C ARG A 38 3.635 -5.569 -0.730 1.00 0.00 C ATOM 535 O ARG A 38 2.608 -5.587 -0.053 1.00 0.00 O ATOM 536 CB ARG A 38 5.088 -3.532 -0.722 1.00 0.00 C ATOM 537 CG ARG A 38 4.714 -3.301 0.732 1.00 0.00 C ATOM 538 CD ARG A 38 5.942 -3.030 1.587 1.00 0.00 C ATOM 539 NE ARG A 38 5.649 -3.132 3.014 1.00 0.00 N ATOM 540 CZ ARG A 38 6.585 -3.247 3.950 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.866 -3.274 3.611 1.00 0.00 N ATOM 542 NH2 ARG A 38 6.239 -3.335 5.228 1.00 0.00 N ATOM 0 H ARG A 38 2.129 -3.556 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 38 4.463 -4.627 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.037 -4.067 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.244 -2.568 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.027 -2.458 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.187 -4.174 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.728 -3.739 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.325 -2.034 1.366 1.00 0.00 H new ATOM 0 HE ARG A 38 4.673 -3.114 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.135 -3.206 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.582 -3.362 4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.254 -3.314 5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.958 -3.423 5.946 1.00 0.00 H new ATOM 556 N ALA A 39 4.452 -6.612 -0.833 1.00 0.00 N ATOM 557 CA ALA A 39 4.183 -7.864 -0.139 1.00 0.00 C ATOM 558 C ALA A 39 4.468 -7.737 1.354 1.00 0.00 C ATOM 559 O ALA A 39 5.618 -7.584 1.766 1.00 0.00 O ATOM 560 CB ALA A 39 5.011 -8.990 -0.741 1.00 0.00 C ATOM 0 H ALA A 39 5.306 -6.614 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 39 3.126 -8.098 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.800 -9.920 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.756 -9.106 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.071 -8.752 -0.648 1.00 0.00 H new ATOM 566 N SER A 40 3.413 -7.800 2.160 1.00 0.00 N ATOM 567 CA SER A 40 3.549 -7.687 3.608 1.00 0.00 C ATOM 568 C SER A 40 4.766 -8.463 4.101 1.00 0.00 C ATOM 569 O SER A 40 4.954 -9.629 3.754 1.00 0.00 O ATOM 570 CB SER A 40 2.286 -8.201 4.302 1.00 0.00 C ATOM 571 OG SER A 40 2.401 -8.099 5.710 1.00 0.00 O ATOM 0 H SER A 40 2.455 -7.929 1.835 1.00 0.00 H new ATOM 0 HA SER A 40 3.687 -6.634 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.422 -7.630 3.962 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.111 -9.240 4.023 1.00 0.00 H new ATOM 0 HG SER A 40 1.581 -8.432 6.130 1.00 0.00 H new ATOM 657 N ALA A 46 -0.418 -11.934 1.649 1.00 0.00 N ATOM 658 CA ALA A 46 -1.056 -10.648 1.899 1.00 0.00 C ATOM 659 C ALA A 46 -0.340 -9.525 1.156 1.00 0.00 C ATOM 660 O ALA A 46 0.662 -9.757 0.479 1.00 0.00 O ATOM 661 CB ALA A 46 -1.090 -10.357 3.393 1.00 0.00 C ATOM 0 HA ALA A 46 -2.079 -10.700 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.569 -9.393 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.653 -11.139 3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.072 -10.331 3.782 1.00 0.00 H new ATOM 667 N TYR A 47 -0.860 -8.310 1.287 1.00 0.00 N ATOM 668 CA TYR A 47 -0.271 -7.152 0.625 1.00 0.00 C ATOM 669 C TYR A 47 -0.233 -5.949 1.563 1.00 0.00 C ATOM 670 O TYR A 47 -0.699 -6.019 2.699 1.00 0.00 O ATOM 671 CB TYR A 47 -1.061 -6.804 -0.638 1.00 0.00 C ATOM 672 CG TYR A 47 -0.633 -7.590 -1.856 1.00 0.00 C ATOM 673 CD1 TYR A 47 0.568 -7.315 -2.498 1.00 0.00 C ATOM 674 CD2 TYR A 47 -1.430 -8.608 -2.365 1.00 0.00 C ATOM 675 CE1 TYR A 47 0.963 -8.030 -3.612 1.00 0.00 C ATOM 676 CE2 TYR A 47 -1.042 -9.329 -3.478 1.00 0.00 C ATOM 677 CZ TYR A 47 0.154 -9.036 -4.098 1.00 0.00 C ATOM 678 OH TYR A 47 0.545 -9.752 -5.207 1.00 0.00 O ATOM 0 H TYR A 47 -1.688 -8.101 1.845 1.00 0.00 H new ATOM 0 HA TYR A 47 0.752 -7.405 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.120 -6.983 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.949 -5.740 -0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.204 -6.528 -2.119 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.368 -8.840 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.900 -7.803 -4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.672 -10.118 -3.860 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.136 -10.424 -5.419 1.00 0.00 H new ATOM 688 N ALA A 48 0.325 -4.845 1.076 1.00 0.00 N ATOM 689 CA ALA A 48 0.421 -3.625 1.868 1.00 0.00 C ATOM 690 C ALA A 48 0.225 -2.389 0.998 1.00 0.00 C ATOM 691 O ALA A 48 1.064 -2.071 0.154 1.00 0.00 O ATOM 692 CB ALA A 48 1.764 -3.564 2.581 1.00 0.00 C ATOM 0 H ALA A 48 0.717 -4.771 0.137 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.374 -3.641 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.823 -2.648 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.865 -4.426 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.568 -3.575 1.845 1.00 0.00 H new ATOM 698 N LEU A 49 -0.887 -1.694 1.208 1.00 0.00 N ATOM 699 CA LEU A 49 -1.194 -0.491 0.442 1.00 0.00 C ATOM 700 C LEU A 49 -0.818 0.763 1.224 1.00 0.00 C ATOM 701 O LEU A 49 -1.509 1.149 2.168 1.00 0.00 O ATOM 702 CB LEU A 49 -2.681 -0.456 0.084 1.00 0.00 C ATOM 703 CG LEU A 49 -3.203 0.861 -0.491 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.673 1.075 -1.900 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.724 0.882 -0.483 1.00 0.00 C ATOM 0 H LEU A 49 -1.591 -1.943 1.902 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.606 -0.514 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.879 -1.248 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.255 -0.691 0.980 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.846 1.676 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.055 2.017 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.584 1.106 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.000 0.256 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.077 1.827 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.102 0.058 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.084 0.776 0.540 1.00 0.00 H new ATOM 717 N CYS A 50 0.278 1.397 0.823 1.00 0.00 N ATOM 718 CA CYS A 50 0.746 2.610 1.486 1.00 0.00 C ATOM 719 C CYS A 50 0.176 3.852 0.810 1.00 0.00 C ATOM 720 O CYS A 50 -0.275 3.798 -0.334 1.00 0.00 O ATOM 721 CB CYS A 50 2.274 2.664 1.476 1.00 0.00 C ATOM 722 SG CYS A 50 3.064 1.408 2.509 1.00 0.00 S ATOM 0 H CYS A 50 0.859 1.092 0.042 1.00 0.00 H new ATOM 0 HA CYS A 50 0.398 2.589 2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.624 2.548 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.594 3.650 1.813 1.00 0.00 H new ATOM 0 HG CYS A 50 4.356 1.534 2.433 1.00 0.00 H new ATOM 728 N VAL A 51 0.199 4.972 1.526 1.00 0.00 N ATOM 729 CA VAL A 51 -0.316 6.229 0.995 1.00 0.00 C ATOM 730 C VAL A 51 0.265 7.421 1.747 1.00 0.00 C ATOM 731 O VAL A 51 0.134 7.523 2.968 1.00 0.00 O ATOM 732 CB VAL A 51 -1.853 6.284 1.076 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.373 7.580 0.471 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.466 5.078 0.380 1.00 0.00 C ATOM 0 H VAL A 51 0.569 5.035 2.475 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.013 6.280 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.146 6.257 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.461 7.602 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.960 8.428 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.072 7.640 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.553 5.133 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.167 5.072 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.119 4.164 0.862 1.00 0.00 H new ATOM 744 N LEU A 52 0.906 8.322 1.012 1.00 0.00 N ATOM 745 CA LEU A 52 1.507 9.510 1.609 1.00 0.00 C ATOM 746 C LEU A 52 0.609 10.728 1.421 1.00 0.00 C ATOM 747 O LEU A 52 0.368 11.167 0.297 1.00 0.00 O ATOM 748 CB LEU A 52 2.881 9.776 0.991 1.00 0.00 C ATOM 749 CG LEU A 52 3.686 10.918 1.611 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.475 10.424 2.813 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.617 11.537 0.578 1.00 0.00 C ATOM 0 H LEU A 52 1.023 8.253 0.001 1.00 0.00 H new ATOM 0 HA LEU A 52 1.624 9.329 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.471 8.862 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.745 9.988 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 52 2.990 11.685 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.042 11.251 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.788 10.029 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.161 9.638 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.182 12.348 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.307 10.778 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.030 11.929 -0.253 1.00 0.00 H new ATOM 763 N TYR A 53 0.117 11.270 2.530 1.00 0.00 N ATOM 764 CA TYR A 53 -0.756 12.437 2.488 1.00 0.00 C ATOM 765 C TYR A 53 -0.113 13.623 3.201 1.00 0.00 C ATOM 766 O TYR A 53 0.211 14.635 2.578 1.00 0.00 O ATOM 767 CB TYR A 53 -2.106 12.114 3.129 1.00 0.00 C ATOM 768 CG TYR A 53 -3.103 13.247 3.046 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.303 13.937 1.856 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.845 13.630 4.156 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.212 14.973 1.774 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.757 14.665 4.084 1.00 0.00 C ATOM 773 CZ TYR A 53 -4.937 15.334 2.891 1.00 0.00 C ATOM 774 OH TYR A 53 -5.844 16.366 2.815 1.00 0.00 O ATOM 0 H TYR A 53 0.308 10.920 3.469 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.913 12.705 1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.528 11.234 2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.949 11.856 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.737 13.658 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.706 13.109 5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.355 15.498 0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.326 14.949 4.957 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.271 16.492 3.688 1.00 0.00 H new ATOM 784 N ARG A 54 0.069 13.491 4.510 1.00 0.00 N ATOM 785 CA ARG A 54 0.673 14.551 5.309 1.00 0.00 C ATOM 786 C ARG A 54 1.936 14.054 6.006 1.00 0.00 C ATOM 787 O ARG A 54 1.937 13.816 7.213 1.00 0.00 O ATOM 788 CB ARG A 54 -0.326 15.068 6.346 1.00 0.00 C ATOM 789 CG ARG A 54 -1.684 15.420 5.762 1.00 0.00 C ATOM 790 CD ARG A 54 -1.735 16.869 5.303 1.00 0.00 C ATOM 791 NE ARG A 54 -1.163 17.042 3.971 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.034 18.221 3.374 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.434 19.326 3.988 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.503 18.298 2.160 1.00 0.00 N ATOM 0 H ARG A 54 -0.193 12.660 5.041 1.00 0.00 H new ATOM 0 HA ARG A 54 0.946 15.367 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.458 14.311 7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.091 15.951 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.900 14.763 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.459 15.246 6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.770 17.212 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.194 17.494 6.014 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.845 16.211 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.842 19.272 4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.334 20.230 3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.193 17.451 1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.405 19.205 1.703 1.00 0.00 H new ATOM 808 N ASN A 55 3.009 13.900 5.237 1.00 0.00 N ATOM 809 CA ASN A 55 4.278 13.430 5.781 1.00 0.00 C ATOM 810 C ASN A 55 4.072 12.196 6.654 1.00 0.00 C ATOM 811 O ASN A 55 4.756 12.016 7.663 1.00 0.00 O ATOM 812 CB ASN A 55 4.949 14.539 6.595 1.00 0.00 C ATOM 813 CG ASN A 55 6.458 14.393 6.636 1.00 0.00 C ATOM 814 OD1 ASN A 55 7.145 14.658 5.650 1.00 0.00 O ATOM 815 ND2 ASN A 55 6.980 13.970 7.781 1.00 0.00 N ATOM 0 H ASN A 55 3.025 14.094 4.236 1.00 0.00 H new ATOM 0 HA ASN A 55 4.925 13.158 4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.692 15.507 6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.558 14.527 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.989 13.853 7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.372 13.762 8.573 1.00 0.00 H new ATOM 822 N CYS A 56 3.127 11.350 6.260 1.00 0.00 N ATOM 823 CA CYS A 56 2.831 10.132 7.006 1.00 0.00 C ATOM 824 C CYS A 56 2.395 9.012 6.068 1.00 0.00 C ATOM 825 O CYS A 56 1.394 9.133 5.362 1.00 0.00 O ATOM 826 CB CYS A 56 1.740 10.398 8.044 1.00 0.00 C ATOM 827 SG CYS A 56 2.367 10.936 9.653 1.00 0.00 S ATOM 0 H CYS A 56 2.552 11.485 5.428 1.00 0.00 H new ATOM 0 HA CYS A 56 3.741 9.819 7.518 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.063 11.159 7.657 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.153 9.489 8.180 1.00 0.00 H new ATOM 0 HG CYS A 56 3.506 11.543 9.494 1.00 0.00 H new ATOM 833 N VAL A 57 3.155 7.921 6.063 1.00 0.00 N ATOM 834 CA VAL A 57 2.848 6.779 5.211 1.00 0.00 C ATOM 835 C VAL A 57 1.784 5.890 5.846 1.00 0.00 C ATOM 836 O VAL A 57 2.028 5.242 6.864 1.00 0.00 O ATOM 837 CB VAL A 57 4.105 5.935 4.929 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.765 4.752 4.035 1.00 0.00 C ATOM 839 CG2 VAL A 57 5.192 6.793 4.301 1.00 0.00 C ATOM 0 H VAL A 57 3.988 7.805 6.640 1.00 0.00 H new ATOM 0 HA VAL A 57 2.469 7.179 4.270 1.00 0.00 H new ATOM 0 HB VAL A 57 4.481 5.547 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.666 4.168 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.022 4.125 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.363 5.115 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.073 6.181 4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.829 7.211 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.455 7.603 4.981 1.00 0.00 H new ATOM 849 N TYR A 58 0.603 5.864 5.238 1.00 0.00 N ATOM 850 CA TYR A 58 -0.500 5.056 5.744 1.00 0.00 C ATOM 851 C TYR A 58 -0.463 3.651 5.151 1.00 0.00 C ATOM 852 O TYR A 58 -0.972 3.413 4.055 1.00 0.00 O ATOM 853 CB TYR A 58 -1.838 5.723 5.423 1.00 0.00 C ATOM 854 CG TYR A 58 -2.068 7.013 6.178 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.599 8.223 5.684 1.00 0.00 C ATOM 856 CD2 TYR A 58 -2.755 7.020 7.386 1.00 0.00 C ATOM 857 CE1 TYR A 58 -1.806 9.404 6.371 1.00 0.00 C ATOM 858 CE2 TYR A 58 -2.968 8.196 8.079 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.492 9.385 7.567 1.00 0.00 C ATOM 860 OH TYR A 58 -2.701 10.559 8.255 1.00 0.00 O ATOM 0 H TYR A 58 0.385 6.393 4.394 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.392 4.977 6.826 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.887 5.925 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.645 5.028 5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.063 8.241 4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.129 6.091 7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.433 10.336 5.974 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.504 8.184 9.016 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.201 10.372 9.077 1.00 0.00 H new ATOM 870 N THR A 59 0.142 2.722 5.883 1.00 0.00 N ATOM 871 CA THR A 59 0.247 1.340 5.431 1.00 0.00 C ATOM 872 C THR A 59 -1.040 0.571 5.710 1.00 0.00 C ATOM 873 O THR A 59 -1.471 0.459 6.858 1.00 0.00 O ATOM 874 CB THR A 59 1.423 0.614 6.110 1.00 0.00 C ATOM 875 OG1 THR A 59 2.613 1.403 6.005 1.00 0.00 O ATOM 876 CG2 THR A 59 1.655 -0.750 5.477 1.00 0.00 C ATOM 0 H THR A 59 0.567 2.901 6.793 1.00 0.00 H new ATOM 0 HA THR A 59 0.422 1.372 4.356 1.00 0.00 H new ATOM 0 HB THR A 59 1.174 0.471 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.865 1.490 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.490 -1.244 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.757 -1.359 5.585 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.884 -0.626 4.419 1.00 0.00 H new ATOM 884 N TYR A 60 -1.649 0.043 4.654 1.00 0.00 N ATOM 885 CA TYR A 60 -2.888 -0.714 4.786 1.00 0.00 C ATOM 886 C TYR A 60 -2.687 -2.165 4.359 1.00 0.00 C ATOM 887 O TYR A 60 -2.697 -2.481 3.169 1.00 0.00 O ATOM 888 CB TYR A 60 -3.994 -0.072 3.946 1.00 0.00 C ATOM 889 CG TYR A 60 -4.424 1.287 4.450 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.074 1.424 5.670 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.180 2.435 3.705 1.00 0.00 C ATOM 892 CE1 TYR A 60 -5.470 2.664 6.133 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.571 3.679 4.161 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.216 3.788 5.375 1.00 0.00 C ATOM 895 OH TYR A 60 -5.607 5.025 5.834 1.00 0.00 O ATOM 0 H TYR A 60 -1.305 0.125 3.697 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.183 -0.700 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.648 0.024 2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.859 -0.735 3.931 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.273 0.546 6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.676 2.353 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.976 2.753 7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.373 4.561 3.570 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.353 5.711 5.182 1.00 0.00 H new ATOM 905 N ARG A 61 -2.507 -3.043 5.340 1.00 0.00 N ATOM 906 CA ARG A 61 -2.303 -4.461 5.068 1.00 0.00 C ATOM 907 C ARG A 61 -3.559 -5.084 4.464 1.00 0.00 C ATOM 908 O ARG A 61 -4.676 -4.791 4.891 1.00 0.00 O ATOM 909 CB ARG A 61 -1.922 -5.199 6.352 1.00 0.00 C ATOM 910 CG ARG A 61 -2.985 -5.124 7.436 1.00 0.00 C ATOM 911 CD ARG A 61 -2.585 -5.926 8.665 1.00 0.00 C ATOM 912 NE ARG A 61 -1.829 -5.121 9.621 1.00 0.00 N ATOM 913 CZ ARG A 61 -1.734 -5.413 10.914 1.00 0.00 C ATOM 914 NH1 ARG A 61 -2.343 -6.485 11.402 1.00 0.00 N ATOM 915 NH2 ARG A 61 -1.028 -4.632 11.721 1.00 0.00 N ATOM 0 H ARG A 61 -2.498 -2.798 6.330 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.489 -4.554 4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.729 -6.245 6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.992 -4.783 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.148 -4.083 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.931 -5.501 7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.479 -6.318 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.986 -6.784 8.359 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.348 -4.290 9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.886 -7.088 10.785 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.268 -6.706 12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.558 -3.807 11.349 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.956 -4.857 12.713 1.00 0.00 H new ATOM 929 N ILE A 62 -3.366 -5.944 3.470 1.00 0.00 N ATOM 930 CA ILE A 62 -4.482 -6.609 2.808 1.00 0.00 C ATOM 931 C ILE A 62 -4.432 -8.117 3.027 1.00 0.00 C ATOM 932 O ILE A 62 -3.576 -8.808 2.474 1.00 0.00 O ATOM 933 CB ILE A 62 -4.492 -6.321 1.295 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.705 -4.828 1.039 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.573 -7.141 0.607 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.419 -4.034 0.990 1.00 0.00 C ATOM 0 H ILE A 62 -2.448 -6.197 3.105 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.394 -6.210 3.251 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.526 -6.607 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.237 -4.702 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.344 -4.421 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.568 -6.927 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.381 -8.202 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.546 -6.883 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.646 -2.984 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.896 -4.130 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.787 -4.415 0.188 1.00 0.00 H new ATOM 948 N LEU A 63 -5.357 -8.622 3.837 1.00 0.00 N ATOM 949 CA LEU A 63 -5.420 -10.050 4.128 1.00 0.00 C ATOM 950 C LEU A 63 -6.470 -10.737 3.261 1.00 0.00 C ATOM 951 O LEU A 63 -7.521 -10.175 2.953 1.00 0.00 O ATOM 952 CB LEU A 63 -5.738 -10.275 5.608 1.00 0.00 C ATOM 953 CG LEU A 63 -4.556 -10.169 6.572 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.620 -11.355 6.402 1.00 0.00 C ATOM 955 CD2 LEU A 63 -3.808 -8.861 6.356 1.00 0.00 C ATOM 0 H LEU A 63 -6.073 -8.064 4.303 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.447 -10.485 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.494 -9.551 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.183 -11.264 5.717 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.941 -10.180 7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.785 -11.262 7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.162 -12.278 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.241 -11.376 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.970 -8.802 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.435 -8.820 5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.483 -8.023 6.530 1.00 0.00 H new ATOM 967 N PRO A 64 -6.181 -11.983 2.857 1.00 0.00 N ATOM 968 CA PRO A 64 -7.089 -12.775 2.022 1.00 0.00 C ATOM 969 C PRO A 64 -8.344 -13.204 2.775 1.00 0.00 C ATOM 970 O PRO A 64 -8.368 -13.215 4.005 1.00 0.00 O ATOM 971 CB PRO A 64 -6.248 -13.997 1.644 1.00 0.00 C ATOM 972 CG PRO A 64 -5.245 -14.120 2.738 1.00 0.00 C ATOM 973 CD PRO A 64 -4.947 -12.716 3.186 1.00 0.00 C ATOM 0 HA PRO A 64 -7.452 -12.209 1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.864 -14.893 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.764 -13.861 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.637 -14.717 3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.341 -14.617 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.726 -12.673 4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.083 -12.303 2.665 1.00 0.00 H new ATOM 981 N ASN A 65 -9.385 -13.558 2.028 1.00 0.00 N ATOM 982 CA ASN A 65 -10.643 -13.988 2.625 1.00 0.00 C ATOM 983 C ASN A 65 -10.932 -15.449 2.294 1.00 0.00 C ATOM 984 O ASN A 65 -10.151 -16.104 1.605 1.00 0.00 O ATOM 985 CB ASN A 65 -11.793 -13.105 2.135 1.00 0.00 C ATOM 986 CG ASN A 65 -11.884 -11.798 2.898 1.00 0.00 C ATOM 987 OD1 ASN A 65 -10.946 -11.404 3.591 1.00 0.00 O ATOM 988 ND2 ASN A 65 -13.019 -11.119 2.774 1.00 0.00 N ATOM 0 H ASN A 65 -9.382 -13.555 1.008 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.554 -13.890 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.659 -12.895 1.074 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.733 -13.648 2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.139 -10.233 3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.770 -11.484 2.188 1.00 0.00 H new ATOM 995 N GLU A 66 -12.059 -15.951 2.789 1.00 0.00 N ATOM 996 CA GLU A 66 -12.450 -17.335 2.545 1.00 0.00 C ATOM 997 C GLU A 66 -12.348 -17.675 1.061 1.00 0.00 C ATOM 998 O GLU A 66 -11.851 -18.739 0.690 1.00 0.00 O ATOM 999 CB GLU A 66 -13.877 -17.579 3.038 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.018 -17.517 4.550 1.00 0.00 C ATOM 1001 CD GLU A 66 -15.346 -18.065 5.035 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -15.848 -19.031 4.424 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -15.884 -17.527 6.026 1.00 0.00 O ATOM 0 H GLU A 66 -12.717 -15.421 3.361 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.767 -17.982 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.539 -16.838 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.210 -18.557 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.207 -18.081 5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.914 -16.483 4.879 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.822 -16.765 0.218 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.784 -16.968 -1.226 1.00 0.00 C ATOM 1012 C ASP A 67 -11.505 -16.387 -1.823 1.00 0.00 C ATOM 1013 O ASP A 67 -11.508 -15.877 -2.943 1.00 0.00 O ATOM 1014 CB ASP A 67 -14.006 -16.326 -1.885 1.00 0.00 C ATOM 1015 CG ASP A 67 -15.300 -17.015 -1.499 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -15.557 -18.124 -2.013 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -16.056 -16.446 -0.684 1.00 0.00 O ATOM 0 H ASP A 67 -13.237 -15.880 0.509 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.799 -18.041 -1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.058 -15.275 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.890 -16.358 -2.968 1.00 0.00 H new ATOM 1022 N ASP A 68 -10.416 -16.469 -1.067 1.00 0.00 N ATOM 1023 CA ASP A 68 -9.130 -15.952 -1.521 1.00 0.00 C ATOM 1024 C ASP A 68 -9.285 -14.555 -2.116 1.00 0.00 C ATOM 1025 O ASP A 68 -8.628 -14.211 -3.098 1.00 0.00 O ATOM 1026 CB ASP A 68 -8.513 -16.894 -2.556 1.00 0.00 C ATOM 1027 CG ASP A 68 -9.348 -16.995 -3.817 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -9.426 -15.992 -4.557 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -9.923 -18.076 -4.065 1.00 0.00 O ATOM 0 H ASP A 68 -10.398 -16.888 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.467 -15.889 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.514 -16.543 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.400 -17.886 -2.118 1.00 0.00 H new ATOM 1034 N LYS A 69 -10.160 -13.756 -1.515 1.00 0.00 N ATOM 1035 CA LYS A 69 -10.402 -12.396 -1.984 1.00 0.00 C ATOM 1036 C LYS A 69 -9.553 -11.394 -1.210 1.00 0.00 C ATOM 1037 O LYS A 69 -9.453 -11.465 0.016 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.884 -12.043 -1.841 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.818 -13.086 -2.430 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.853 -13.011 -3.947 1.00 0.00 C ATOM 1041 CE LYS A 69 -13.682 -11.829 -4.428 1.00 0.00 C ATOM 1042 NZ LYS A 69 -15.134 -12.154 -4.475 1.00 0.00 N ATOM 0 H LYS A 69 -10.714 -14.026 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.122 -12.346 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.118 -11.914 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.069 -11.085 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.495 -14.080 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.823 -12.940 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.837 -12.925 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.268 -13.935 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.521 -10.979 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.345 -11.528 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.665 -11.324 -4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.291 -12.949 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.462 -12.417 -3.524 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.943 -10.460 -1.932 1.00 0.00 N ATOM 1057 CA PHE A 70 -8.102 -9.442 -1.312 1.00 0.00 C ATOM 1058 C PHE A 70 -8.942 -8.262 -0.830 1.00 0.00 C ATOM 1059 O PHE A 70 -9.448 -7.476 -1.632 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.040 -8.957 -2.300 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.004 -9.995 -2.625 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -6.236 -10.939 -3.611 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -4.799 -10.027 -1.942 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -5.285 -11.896 -3.913 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -3.844 -10.981 -2.239 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.088 -11.917 -3.225 1.00 0.00 C ATOM 0 H PHE A 70 -9.015 -10.387 -2.947 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.608 -9.890 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.529 -8.643 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.545 -8.078 -1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.171 -10.928 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.604 -9.298 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.478 -12.626 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.908 -10.995 -1.701 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.344 -12.664 -3.457 1.00 0.00 H new ATOM 1076 N THR A 71 -9.086 -8.144 0.486 1.00 0.00 N ATOM 1077 CA THR A 71 -9.865 -7.063 1.076 1.00 0.00 C ATOM 1078 C THR A 71 -9.024 -6.248 2.052 1.00 0.00 C ATOM 1079 O THR A 71 -8.444 -6.793 2.992 1.00 0.00 O ATOM 1080 CB THR A 71 -11.108 -7.601 1.810 1.00 0.00 C ATOM 1081 OG1 THR A 71 -10.708 -8.365 2.954 1.00 0.00 O ATOM 1082 CG2 THR A 71 -11.951 -8.466 0.886 1.00 0.00 C ATOM 0 H THR A 71 -8.673 -8.784 1.164 1.00 0.00 H new ATOM 0 HA THR A 71 -10.187 -6.422 0.256 1.00 0.00 H new ATOM 0 HB THR A 71 -11.709 -6.751 2.133 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.805 -8.099 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.823 -8.834 1.427 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.278 -7.874 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.357 -9.311 0.537 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.963 -4.940 1.825 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.194 -4.050 2.686 1.00 0.00 C ATOM 1092 C VAL A 72 -8.826 -3.942 4.069 1.00 0.00 C ATOM 1093 O VAL A 72 -10.043 -3.818 4.197 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.077 -2.641 2.075 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.244 -1.737 2.972 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.481 -2.714 0.677 1.00 0.00 C ATOM 0 H VAL A 72 -9.437 -4.473 1.052 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.197 -4.482 2.778 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.077 -2.214 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.172 -0.746 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.717 -1.659 3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.245 -2.157 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.406 -1.709 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.488 -3.161 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.122 -3.324 0.040 1.00 0.00 H new ATOM 1106 N GLN A 73 -7.990 -3.989 5.101 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.468 -3.897 6.476 1.00 0.00 C ATOM 1108 C GLN A 73 -8.279 -2.486 7.024 1.00 0.00 C ATOM 1109 O GLN A 73 -7.152 -2.034 7.225 1.00 0.00 O ATOM 1110 CB GLN A 73 -7.733 -4.904 7.362 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.226 -6.332 7.197 1.00 0.00 C ATOM 1112 CD GLN A 73 -9.409 -6.648 8.091 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -10.560 -6.603 7.655 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -9.133 -6.970 9.349 1.00 0.00 N ATOM 0 H GLN A 73 -6.979 -4.090 5.012 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.533 -4.129 6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.668 -4.867 7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.845 -4.608 8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.507 -6.497 6.157 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.412 -7.022 7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.165 -6.995 9.668 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.889 -7.192 9.996 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.389 -1.796 7.263 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.346 -0.437 7.789 1.00 0.00 C ATOM 1125 C ALA A 74 -10.413 -0.228 8.858 1.00 0.00 C ATOM 1126 O ALA A 74 -11.123 -1.162 9.231 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.519 0.571 6.663 1.00 0.00 C ATOM 0 H ALA A 74 -10.330 -2.156 7.101 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.371 -0.284 8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.485 1.581 7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.717 0.446 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.480 0.409 6.174 1.00 0.00 H new ATOM 1210 N ARG A 81 -16.588 -4.947 0.118 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.322 -5.517 -1.197 1.00 0.00 C ATOM 1212 C ARG A 81 -15.180 -6.527 -1.131 1.00 0.00 C ATOM 1213 O ARG A 81 -14.419 -6.557 -0.163 1.00 0.00 O ATOM 1214 CB ARG A 81 -15.981 -4.410 -2.196 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.195 -3.838 -2.909 1.00 0.00 C ATOM 1216 CD ARG A 81 -17.574 -4.674 -4.121 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.965 -4.468 -4.515 1.00 0.00 N ATOM 1218 CZ ARG A 81 -19.653 -5.324 -5.262 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -19.081 -6.440 -5.694 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -20.915 -5.066 -5.579 1.00 0.00 N ATOM 0 HA ARG A 81 -17.222 -6.034 -1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.466 -3.605 -1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.286 -4.803 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.037 -3.794 -2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.986 -2.815 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.920 -4.420 -4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.413 -5.729 -3.899 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.434 -3.619 -4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.111 -6.642 -5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.611 -7.096 -6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.359 -4.209 -5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.442 -5.725 -6.153 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.067 -7.353 -2.166 1.00 0.00 N ATOM 1235 CA PHE A 82 -14.019 -8.365 -2.225 1.00 0.00 C ATOM 1236 C PHE A 82 -13.530 -8.558 -3.658 1.00 0.00 C ATOM 1237 O PHE A 82 -14.323 -8.786 -4.571 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.533 -9.694 -1.666 1.00 0.00 C ATOM 1239 CG PHE A 82 -15.409 -9.537 -0.456 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -16.744 -9.194 -0.592 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -14.897 -9.732 0.816 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -17.553 -9.048 0.520 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -15.700 -9.588 1.932 1.00 0.00 C ATOM 1244 CZ PHE A 82 -17.030 -9.247 1.783 1.00 0.00 C ATOM 0 H PHE A 82 -15.688 -7.341 -2.975 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.182 -8.022 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.092 -10.214 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.682 -10.324 -1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.158 -9.039 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.858 -10.000 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.592 -8.779 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -15.288 -9.742 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.660 -9.136 2.653 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.218 -8.464 -3.846 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.621 -8.627 -5.166 1.00 0.00 C ATOM 1256 C PHE A 83 -10.462 -9.618 -5.121 1.00 0.00 C ATOM 1257 O PHE A 83 -9.476 -9.408 -4.414 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.133 -7.278 -5.698 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.988 -6.119 -5.270 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -12.097 -5.779 -3.932 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -12.683 -5.372 -6.207 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.883 -4.714 -3.535 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.470 -4.305 -5.816 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.572 -3.976 -4.478 1.00 0.00 C ATOM 0 H PHE A 83 -11.548 -8.276 -3.101 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.385 -9.020 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.111 -7.110 -5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.104 -7.315 -6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.561 -6.353 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.609 -5.626 -7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.959 -4.459 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.005 -3.729 -6.556 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.189 -3.144 -4.170 1.00 0.00 H new ATOM 1274 N THR A 84 -10.588 -10.701 -5.882 1.00 0.00 N ATOM 1275 CA THR A 84 -9.553 -11.727 -5.929 1.00 0.00 C ATOM 1276 C THR A 84 -8.251 -11.168 -6.491 1.00 0.00 C ATOM 1277 O THR A 84 -7.169 -11.687 -6.213 1.00 0.00 O ATOM 1278 CB THR A 84 -9.993 -12.931 -6.783 1.00 0.00 C ATOM 1279 OG1 THR A 84 -9.015 -13.973 -6.700 1.00 0.00 O ATOM 1280 CG2 THR A 84 -10.185 -12.522 -8.235 1.00 0.00 C ATOM 0 H THR A 84 -11.397 -10.890 -6.474 1.00 0.00 H new ATOM 0 HA THR A 84 -9.390 -12.059 -4.904 1.00 0.00 H new ATOM 0 HB THR A 84 -10.945 -13.295 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.235 -14.569 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.496 -13.388 -8.819 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.951 -11.749 -8.297 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.246 -12.135 -8.631 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.360 -10.107 -7.283 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.191 -9.476 -7.883 1.00 0.00 C ATOM 1290 C LYS A 85 -6.972 -8.080 -7.310 1.00 0.00 C ATOM 1291 O LYS A 85 -7.926 -7.334 -7.081 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.354 -9.395 -9.403 1.00 0.00 C ATOM 1293 CG LYS A 85 -7.963 -10.644 -10.017 1.00 0.00 C ATOM 1294 CD LYS A 85 -7.695 -10.718 -11.510 1.00 0.00 C ATOM 1295 CE LYS A 85 -8.717 -11.597 -12.216 1.00 0.00 C ATOM 1296 NZ LYS A 85 -8.308 -11.909 -13.614 1.00 0.00 N ATOM 0 H LYS A 85 -9.247 -9.666 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.319 -10.087 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.981 -8.537 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.379 -9.216 -9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.553 -11.528 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.038 -10.651 -9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.720 -9.715 -11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.693 -11.112 -11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.844 -12.525 -11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.684 -11.095 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.030 -12.509 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.211 -11.025 -14.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.397 -12.411 -13.605 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.711 -7.730 -7.081 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.366 -6.422 -6.535 1.00 0.00 C ATOM 1312 C LEU A 86 -5.768 -5.308 -7.497 1.00 0.00 C ATOM 1313 O LEU A 86 -6.311 -4.283 -7.084 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.866 -6.347 -6.247 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.427 -6.794 -4.853 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.476 -5.628 -3.878 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -4.299 -7.940 -4.361 1.00 0.00 C ATOM 0 H LEU A 86 -4.910 -8.334 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.915 -6.288 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.344 -6.958 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.539 -5.318 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.398 -7.147 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.160 -5.966 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.809 -4.838 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.494 -5.244 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.972 -8.245 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.338 -7.614 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.212 -8.783 -5.046 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.499 -5.517 -8.781 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.835 -4.532 -9.803 1.00 0.00 C ATOM 1331 C ASP A 87 -7.323 -4.196 -9.765 1.00 0.00 C ATOM 1332 O ASP A 87 -7.714 -3.049 -9.980 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.453 -5.053 -11.189 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.545 -5.902 -11.810 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -7.436 -5.331 -12.472 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -6.509 -7.138 -11.632 1.00 0.00 O ATOM 0 H ASP A 87 -5.049 -6.360 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.270 -3.623 -9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.236 -4.209 -11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.538 -5.641 -11.113 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.145 -5.203 -9.490 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.590 -5.013 -9.425 1.00 0.00 C ATOM 1343 C GLN A 88 -9.984 -4.264 -8.157 1.00 0.00 C ATOM 1344 O GLN A 88 -11.035 -3.625 -8.103 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.305 -6.364 -9.478 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.397 -6.951 -10.877 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.577 -6.412 -11.660 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -12.244 -5.470 -11.230 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -11.843 -7.007 -12.817 1.00 0.00 N ATOM 0 H GLN A 88 -7.836 -6.158 -9.309 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.892 -4.416 -10.285 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.781 -7.068 -8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.311 -6.249 -9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.477 -6.734 -11.419 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.477 -8.036 -10.807 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.264 -7.784 -13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.626 -6.687 -13.387 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.136 -4.348 -7.138 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.396 -3.677 -5.869 1.00 0.00 C ATOM 1360 C LEU A 89 -8.945 -2.221 -5.920 1.00 0.00 C ATOM 1361 O LEU A 89 -9.584 -1.343 -5.339 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.680 -4.405 -4.730 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.759 -3.740 -3.355 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.694 -4.786 -2.252 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.643 -2.719 -3.191 1.00 0.00 C ATOM 0 H LEU A 89 -8.263 -4.874 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.471 -3.698 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.095 -5.410 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.629 -4.514 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.714 -3.220 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.752 -4.295 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.529 -5.479 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.755 -5.335 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.715 -2.256 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.678 -3.216 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.735 -1.952 -3.960 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.844 -1.972 -6.620 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.311 -0.621 -6.749 1.00 0.00 C ATOM 1379 C ILE A 90 -8.169 0.221 -7.686 1.00 0.00 C ATOM 1380 O ILE A 90 -8.740 1.232 -7.279 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.862 -0.636 -7.273 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.941 -1.330 -6.268 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.384 0.782 -7.547 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.815 -0.592 -4.953 1.00 0.00 C ATOM 0 H ILE A 90 -7.304 -2.687 -7.106 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.325 -0.179 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.834 -1.195 -8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.317 -2.335 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.951 -1.439 -6.710 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.359 0.755 -7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.028 1.245 -8.295 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.423 1.363 -6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.147 -1.142 -4.290 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.410 0.404 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.797 -0.506 -4.489 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.257 -0.204 -8.943 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.048 0.512 -9.937 1.00 0.00 C ATOM 1398 C GLU A 91 -10.319 1.082 -9.314 1.00 0.00 C ATOM 1399 O GLU A 91 -10.838 2.105 -9.761 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.408 -0.416 -11.099 1.00 0.00 C ATOM 1401 CG GLU A 91 -9.471 0.288 -12.444 1.00 0.00 C ATOM 1402 CD GLU A 91 -10.441 -0.373 -13.404 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -11.600 -0.613 -13.006 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -10.041 -0.649 -14.555 1.00 0.00 O ATOM 0 H GLU A 91 -7.791 -1.040 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.447 1.339 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.673 -1.219 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.373 -0.881 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.766 1.326 -12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.476 0.301 -12.890 1.00 0.00 H new ATOM 1411 N PHE A 92 -10.816 0.411 -8.280 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.027 0.849 -7.596 1.00 0.00 C ATOM 1413 C PHE A 92 -11.706 1.912 -6.549 1.00 0.00 C ATOM 1414 O PHE A 92 -12.357 2.956 -6.488 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.723 -0.342 -6.933 1.00 0.00 C ATOM 1416 CG PHE A 92 -14.071 -0.007 -6.363 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -15.179 0.102 -7.187 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -14.231 0.200 -5.002 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -16.422 0.410 -6.666 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -15.470 0.508 -4.475 1.00 0.00 C ATOM 1421 CZ PHE A 92 -16.567 0.614 -5.308 1.00 0.00 C ATOM 0 H PHE A 92 -10.399 -0.438 -7.898 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.696 1.285 -8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.836 -1.141 -7.666 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.086 -0.728 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.071 -0.056 -8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.377 0.120 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.278 0.491 -7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -15.581 0.666 -3.412 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.536 0.856 -4.898 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.700 1.638 -5.726 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.294 2.569 -4.679 1.00 0.00 C ATOM 1433 C TYR A 93 -9.831 3.894 -5.277 1.00 0.00 C ATOM 1434 O TYR A 93 -9.880 4.935 -4.623 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.175 1.960 -3.833 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.668 0.987 -2.785 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.848 0.277 -2.969 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -8.954 0.779 -1.612 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -11.303 -0.612 -2.015 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -9.401 -0.109 -0.652 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.576 -0.802 -0.858 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.025 -1.687 0.095 1.00 0.00 O ATOM 0 H TYR A 93 -10.151 0.779 -5.763 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.158 2.761 -4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.472 1.448 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.625 2.762 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.419 0.423 -3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.034 1.320 -1.447 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.223 -1.155 -2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.834 -0.260 0.255 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.532 -2.405 -0.338 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.382 3.846 -6.527 1.00 0.00 N ATOM 1453 CA LYS A 94 -8.911 5.041 -7.217 1.00 0.00 C ATOM 1454 C LYS A 94 -9.917 6.180 -7.080 1.00 0.00 C ATOM 1455 O LYS A 94 -9.539 7.347 -6.977 1.00 0.00 O ATOM 1456 CB LYS A 94 -8.667 4.738 -8.697 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.488 3.811 -8.941 1.00 0.00 C ATOM 1458 CD LYS A 94 -6.911 3.999 -10.334 1.00 0.00 C ATOM 1459 CE LYS A 94 -5.649 3.173 -10.531 1.00 0.00 C ATOM 1460 NZ LYS A 94 -5.957 1.797 -11.012 1.00 0.00 N ATOM 0 H LYS A 94 -9.334 2.992 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.973 5.350 -6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.565 4.289 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.498 5.675 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.714 4.001 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.805 2.776 -8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.654 3.713 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.686 5.053 -10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.997 3.671 -11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.102 3.115 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.076 1.323 -11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.412 1.256 -10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.599 1.850 -11.828 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.200 5.834 -7.079 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.261 6.826 -6.951 1.00 0.00 C ATOM 1476 C LYS A 95 -12.254 7.454 -5.561 1.00 0.00 C ATOM 1477 O LYS A 95 -11.607 6.948 -4.645 1.00 0.00 O ATOM 1478 CB LYS A 95 -13.623 6.184 -7.227 1.00 0.00 C ATOM 1479 CG LYS A 95 -13.994 6.154 -8.699 1.00 0.00 C ATOM 1480 CD LYS A 95 -13.218 5.083 -9.448 1.00 0.00 C ATOM 1481 CE LYS A 95 -11.904 5.625 -9.991 1.00 0.00 C ATOM 1482 NZ LYS A 95 -12.085 6.310 -11.300 1.00 0.00 N ATOM 0 H LYS A 95 -11.530 4.873 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.081 7.611 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.620 5.165 -6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.391 6.730 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.063 5.969 -8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.795 7.128 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.019 4.243 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.823 4.701 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.474 6.323 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.193 4.807 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.167 6.665 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.471 5.638 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.744 7.107 -11.187 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.948 5.833 3.063 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.497 5.884 3.195 1.00 0.00 C ATOM 1551 C LEU A 100 -8.028 7.302 3.506 1.00 0.00 C ATOM 1552 O LEU A 100 -8.839 8.210 3.686 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.829 5.384 1.913 1.00 0.00 C ATOM 1554 CG LEU A 100 -8.089 3.922 1.547 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -7.363 3.556 0.263 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.663 3.004 2.684 1.00 0.00 C ATOM 0 HA LEU A 100 -8.210 5.236 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.163 6.010 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.753 5.528 2.008 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.159 3.793 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.560 2.512 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.717 4.192 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.291 3.701 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.855 1.968 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.599 3.136 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.230 3.250 3.582 1.00 0.00 H new ATOM 1568 N VAL A 101 -6.713 7.485 3.567 1.00 0.00 N ATOM 1569 CA VAL A 101 -6.135 8.793 3.852 1.00 0.00 C ATOM 1570 C VAL A 101 -6.380 9.765 2.703 1.00 0.00 C ATOM 1571 O VAL A 101 -6.480 10.975 2.909 1.00 0.00 O ATOM 1572 CB VAL A 101 -4.620 8.694 4.111 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -3.920 8.028 2.936 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -4.034 10.071 4.380 1.00 0.00 C ATOM 0 H VAL A 101 -6.027 6.744 3.423 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.626 9.166 4.751 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.460 8.078 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.850 7.967 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.321 7.024 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.087 8.615 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.963 9.982 4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.204 10.714 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.515 10.506 5.256 1.00 0.00 H new ATOM 1584 N THR A 102 -6.478 9.228 1.491 1.00 0.00 N ATOM 1585 CA THR A 102 -6.711 10.047 0.309 1.00 0.00 C ATOM 1586 C THR A 102 -6.908 9.180 -0.930 1.00 0.00 C ATOM 1587 O THR A 102 -6.225 8.171 -1.109 1.00 0.00 O ATOM 1588 CB THR A 102 -5.543 11.020 0.060 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.800 11.805 -1.110 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.234 10.263 -0.108 1.00 0.00 C ATOM 0 H THR A 102 -6.399 8.229 1.303 1.00 0.00 H new ATOM 0 HA THR A 102 -7.618 10.621 0.496 1.00 0.00 H new ATOM 0 HB THR A 102 -5.456 11.677 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.054 12.422 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.424 10.971 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.026 9.690 0.796 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.312 9.585 -0.958 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.845 9.580 -1.784 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.131 8.840 -3.008 1.00 0.00 C ATOM 1600 C HIS A 103 -6.897 8.773 -3.903 1.00 0.00 C ATOM 1601 O HIS A 103 -6.332 9.802 -4.278 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.289 9.491 -3.764 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.988 10.878 -4.241 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.168 11.143 -5.318 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -9.404 12.082 -3.783 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -8.091 12.449 -5.500 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.833 13.042 -4.582 1.00 0.00 N ATOM 0 H HIS A 103 -8.419 10.413 -1.651 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.413 7.824 -2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.548 8.869 -4.621 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.165 9.521 -3.115 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -7.695 10.440 -5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.063 12.255 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.519 12.947 -6.269 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.482 7.557 -4.241 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.315 7.356 -5.092 1.00 0.00 C ATOM 1618 C LEU A 104 -5.251 8.414 -6.189 1.00 0.00 C ATOM 1619 O LEU A 104 -6.186 8.562 -6.976 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.348 5.959 -5.715 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.673 4.807 -4.764 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.452 3.469 -5.451 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.831 4.905 -3.500 1.00 0.00 C ATOM 0 H LEU A 104 -6.937 6.695 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.424 7.449 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.084 5.959 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.378 5.764 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.724 4.879 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.688 2.661 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.098 3.398 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.410 3.387 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.076 4.077 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.774 4.859 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.039 5.849 -2.996 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.142 9.145 -6.236 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.957 10.188 -7.238 1.00 0.00 C ATOM 1637 C GLN A 105 -2.963 9.745 -8.307 1.00 0.00 C ATOM 1638 O GLN A 105 -3.328 9.556 -9.467 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.472 11.479 -6.577 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.569 12.238 -5.847 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.144 13.637 -5.448 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -3.570 14.376 -6.248 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.424 14.009 -4.205 1.00 0.00 N ATOM 0 H GLN A 105 -3.359 9.034 -5.592 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.919 10.373 -7.716 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.676 11.240 -5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.038 12.127 -7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.450 12.298 -6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.859 11.682 -4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.901 13.364 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.162 14.940 -3.880 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.706 9.583 -7.908 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.659 9.165 -8.832 1.00 0.00 C ATOM 1654 C TYR A 106 -0.025 7.853 -8.380 1.00 0.00 C ATOM 1655 O TYR A 106 0.465 7.725 -7.258 1.00 0.00 O ATOM 1656 CB TYR A 106 0.413 10.251 -8.945 1.00 0.00 C ATOM 1657 CG TYR A 106 -0.122 11.652 -8.758 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -1.003 12.210 -9.677 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.252 12.419 -7.661 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.493 13.490 -9.510 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.236 13.700 -7.485 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.107 14.231 -8.412 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.595 15.506 -8.242 1.00 0.00 O ATOM 0 H TYR A 106 -1.388 9.735 -6.951 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.114 9.009 -9.810 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.187 10.064 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.888 10.180 -9.923 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.310 11.632 -10.537 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.936 12.007 -6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.175 13.909 -10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.063 14.282 -6.626 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.326 15.492 -7.589 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.033 6.854 -9.275 1.00 0.00 N ATOM 1674 CA PRO A 107 0.538 5.534 -8.993 1.00 0.00 C ATOM 1675 C PRO A 107 2.060 5.569 -8.899 1.00 0.00 C ATOM 1676 O PRO A 107 2.755 5.544 -9.915 1.00 0.00 O ATOM 1677 CB PRO A 107 0.095 4.692 -10.192 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.110 5.677 -11.291 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.600 6.937 -10.632 1.00 0.00 C ATOM 0 HA PRO A 107 0.203 5.142 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.851 3.953 -10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -0.822 4.145 -9.974 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.819 5.856 -11.833 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.836 5.308 -12.016 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.254 7.827 -11.158 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.689 6.982 -10.611 1.00 0.00 H new ATOM 1687 N VAL A 108 2.572 5.626 -7.674 1.00 0.00 N ATOM 1688 CA VAL A 108 4.012 5.662 -7.448 1.00 0.00 C ATOM 1689 C VAL A 108 4.736 4.675 -8.356 1.00 0.00 C ATOM 1690 O VAL A 108 4.713 3.463 -8.140 1.00 0.00 O ATOM 1691 CB VAL A 108 4.357 5.343 -5.981 1.00 0.00 C ATOM 1692 CG1 VAL A 108 5.855 5.469 -5.746 1.00 0.00 C ATOM 1693 CG2 VAL A 108 3.583 6.255 -5.041 1.00 0.00 C ATOM 0 H VAL A 108 2.011 5.648 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 108 4.344 6.674 -7.680 1.00 0.00 H new ATOM 0 HB VAL A 108 4.066 4.314 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.080 5.240 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.385 4.771 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.174 6.487 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.839 6.016 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.841 7.294 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.513 6.110 -5.192 1.00 0.00 H new ATOM 1703 N PRO A 109 5.396 5.203 -9.397 1.00 0.00 N ATOM 1704 CA PRO A 109 6.141 4.386 -10.359 1.00 0.00 C ATOM 1705 C PRO A 109 7.396 3.773 -9.749 1.00 0.00 C ATOM 1706 O PRO A 109 8.012 4.354 -8.855 1.00 0.00 O ATOM 1707 CB PRO A 109 6.513 5.384 -11.459 1.00 0.00 C ATOM 1708 CG PRO A 109 6.526 6.709 -10.779 1.00 0.00 C ATOM 1709 CD PRO A 109 5.466 6.639 -9.715 1.00 0.00 C ATOM 0 HA PRO A 109 5.555 3.538 -10.714 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.486 5.152 -11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.789 5.364 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.504 6.914 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.317 7.512 -11.486 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.735 7.232 -8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.510 7.018 -10.075 1.00 0.00 H new ATOM 1717 N LEU A 110 7.771 2.596 -10.238 1.00 0.00 N ATOM 1718 CA LEU A 110 8.955 1.903 -9.741 1.00 0.00 C ATOM 1719 C LEU A 110 10.176 2.817 -9.776 1.00 0.00 C ATOM 1720 O LEU A 110 10.069 3.999 -10.103 1.00 0.00 O ATOM 1721 CB LEU A 110 9.221 0.646 -10.570 1.00 0.00 C ATOM 1722 CG LEU A 110 8.195 -0.480 -10.431 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.311 -1.454 -11.592 1.00 0.00 C ATOM 1724 CD2 LEU A 110 8.375 -1.204 -9.105 1.00 0.00 C ATOM 0 H LEU A 110 7.273 2.102 -10.978 1.00 0.00 H new ATOM 0 HA LEU A 110 8.769 1.615 -8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.276 0.933 -11.620 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.200 0.254 -10.295 1.00 0.00 H new ATOM 0 HG LEU A 110 7.197 -0.041 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.573 -2.248 -11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.132 -0.926 -12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.311 -1.887 -11.605 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.637 -2.002 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.377 -1.630 -9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.240 -0.499 -8.284 1.00 0.00 H new