USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 463 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 69 THR OG1 : rot 21:sc= 0.816 USER MOD Set 1.2: A 70 ASN : amide:sc= -0.036 K(o=0.78,f=-0.21) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0.787 USER MOD Set 2.2: A 66 TYR OH : rot -64:sc= 0.897 USER MOD Set 3.1: A 46 THR OG1 : rot -120:sc= 0.917 USER MOD Set 3.2: A 49 LYS NZ :NH3+ 146:sc= 1.19 (180deg=-0.473) USER MOD Set 4.1: A 27 CYS SG : rot 157:sc= 1.87 USER MOD Set 4.2: A 38 HIS : no HE2:sc= -4.32! C(o=1.7!,f=-0.42!) USER MOD Set 4.3: A 51 CYS SG : rot -57:sc= 2.28 USER MOD Set 4.4: A 54 CYS SG : rot -84:sc= -0.27! USER MOD Set 4.5: A 56 THR OG1 : rot 105:sc= 0.958 USER MOD Set 4.6: A 58 TYR OH : rot -151:sc= 1.15 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 10 GLN : amide:sc= 0.0604 X(o=0.06,f=0) USER MOD Single : A 15 TYR OH : rot 125:sc= 0.442 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0.0407 (180deg=0.00692) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -141:sc= -0.183 (180deg=-0.839) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 83:sc= 1.27 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.58! C(o=-2.6!,f=-6.6!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -104:sc= 1.27 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.607 K(o=-0.61,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -7.989 -7.710 1.269 1.00 0.00 N ATOM 78 CA ILE A 6 -7.217 -6.619 1.837 1.00 0.00 C ATOM 79 C ILE A 6 -7.853 -5.277 1.490 1.00 0.00 C ATOM 80 O ILE A 6 -8.566 -5.163 0.487 1.00 0.00 O ATOM 81 CB ILE A 6 -5.752 -6.637 1.340 1.00 0.00 C ATOM 82 CG1 ILE A 6 -5.702 -6.614 -0.194 1.00 0.00 C ATOM 83 CG2 ILE A 6 -5.022 -7.856 1.891 1.00 0.00 C ATOM 84 CD1 ILE A 6 -4.300 -6.544 -0.762 1.00 0.00 C ATOM 0 HA ILE A 6 -7.215 -6.754 2.919 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.248 -5.742 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.194 -7.508 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.272 -5.757 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.992 -7.856 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.028 -7.822 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.523 -8.763 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.349 -6.531 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.810 -5.636 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.731 -7.414 -0.434 1.00 0.00 H new ATOM 96 N PRO A 7 -7.622 -4.252 2.322 1.00 0.00 N ATOM 97 CA PRO A 7 -8.140 -2.905 2.080 1.00 0.00 C ATOM 98 C PRO A 7 -7.627 -2.329 0.766 1.00 0.00 C ATOM 99 O PRO A 7 -6.472 -2.542 0.394 1.00 0.00 O ATOM 100 CB PRO A 7 -7.608 -2.087 3.266 1.00 0.00 C ATOM 101 CG PRO A 7 -7.268 -3.093 4.310 1.00 0.00 C ATOM 102 CD PRO A 7 -6.842 -4.326 3.570 1.00 0.00 C ATOM 0 HA PRO A 7 -9.227 -2.895 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.733 -1.503 2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.357 -1.382 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.469 -2.730 4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.127 -3.298 4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.769 -4.329 3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.067 -5.232 4.133 1.00 0.00 H new ATOM 110 N HIS A 8 -8.481 -1.605 0.061 1.00 0.00 N ATOM 111 CA HIS A 8 -8.090 -1.001 -1.203 1.00 0.00 C ATOM 112 C HIS A 8 -7.541 0.392 -0.955 1.00 0.00 C ATOM 113 O HIS A 8 -8.247 1.269 -0.463 1.00 0.00 O ATOM 114 CB HIS A 8 -9.266 -0.949 -2.186 1.00 0.00 C ATOM 115 CG HIS A 8 -9.657 -2.290 -2.732 1.00 0.00 C ATOM 116 ND1 HIS A 8 -9.542 -2.628 -4.065 1.00 0.00 N ATOM 117 CD2 HIS A 8 -10.167 -3.383 -2.115 1.00 0.00 C ATOM 118 CE1 HIS A 8 -9.961 -3.868 -4.239 1.00 0.00 C ATOM 119 NE2 HIS A 8 -10.345 -4.351 -3.073 1.00 0.00 N ATOM 0 H HIS A 8 -9.445 -1.422 0.340 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.314 -1.619 -1.654 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.127 -0.506 -1.685 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.006 -0.291 -3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.392 -3.476 -1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.985 -4.399 -5.179 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.713 -5.288 -2.910 1.00 0.00 H new ATOM 128 N PHE A 9 -6.277 0.578 -1.288 1.00 0.00 N ATOM 129 CA PHE A 9 -5.583 1.838 -1.054 1.00 0.00 C ATOM 130 C PHE A 9 -5.476 2.625 -2.354 1.00 0.00 C ATOM 131 O PHE A 9 -6.025 2.216 -3.370 1.00 0.00 O ATOM 132 CB PHE A 9 -4.184 1.579 -0.481 1.00 0.00 C ATOM 133 CG PHE A 9 -4.189 0.808 0.810 1.00 0.00 C ATOM 134 CD1 PHE A 9 -4.499 1.433 2.006 1.00 0.00 C ATOM 135 CD2 PHE A 9 -3.878 -0.544 0.824 1.00 0.00 C ATOM 136 CE1 PHE A 9 -4.501 0.726 3.194 1.00 0.00 C ATOM 137 CE2 PHE A 9 -3.877 -1.254 2.010 1.00 0.00 C ATOM 138 CZ PHE A 9 -4.188 -0.618 3.195 1.00 0.00 C ATOM 0 H PHE A 9 -5.700 -0.138 -1.729 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.154 2.421 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.596 1.032 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.685 2.535 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.742 2.485 2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.634 -1.046 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.747 1.225 4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.633 -2.306 2.010 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.186 -1.172 4.122 1.00 0.00 H new ATOM 148 N GLN A 10 -4.759 3.740 -2.320 1.00 0.00 N ATOM 149 CA GLN A 10 -4.588 4.576 -3.507 1.00 0.00 C ATOM 150 C GLN A 10 -3.137 4.528 -3.957 1.00 0.00 C ATOM 151 O GLN A 10 -2.276 4.028 -3.233 1.00 0.00 O ATOM 152 CB GLN A 10 -4.990 6.032 -3.241 1.00 0.00 C ATOM 153 CG GLN A 10 -6.491 6.260 -3.141 1.00 0.00 C ATOM 154 CD GLN A 10 -6.872 7.727 -3.261 1.00 0.00 C ATOM 155 OE1 GLN A 10 -7.071 8.241 -4.359 1.00 0.00 O ATOM 156 NE2 GLN A 10 -6.998 8.404 -2.132 1.00 0.00 N ATOM 0 H GLN A 10 -4.286 4.089 -1.486 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.240 4.184 -4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.522 6.362 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.592 6.658 -4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.993 5.693 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.850 5.873 -2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.824 7.943 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.269 9.387 -2.154 1.00 0.00 H new ATOM 210 N GLY A 14 1.207 10.067 -6.084 1.00 0.00 N ATOM 211 CA GLY A 14 0.947 11.384 -5.528 1.00 0.00 C ATOM 212 C GLY A 14 1.673 11.656 -4.225 1.00 0.00 C ATOM 213 O GLY A 14 1.743 12.801 -3.780 1.00 0.00 O ATOM 0 HA2 GLY A 14 1.237 12.139 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.125 11.493 -5.365 1.00 0.00 H new ATOM 217 N TYR A 15 2.224 10.620 -3.611 1.00 0.00 N ATOM 218 CA TYR A 15 2.859 10.767 -2.307 1.00 0.00 C ATOM 219 C TYR A 15 4.320 10.349 -2.346 1.00 0.00 C ATOM 220 O TYR A 15 4.701 9.462 -3.106 1.00 0.00 O ATOM 221 CB TYR A 15 2.109 9.954 -1.251 1.00 0.00 C ATOM 222 CG TYR A 15 1.008 10.727 -0.559 1.00 0.00 C ATOM 223 CD1 TYR A 15 -0.120 11.155 -1.252 1.00 0.00 C ATOM 224 CD2 TYR A 15 1.105 11.041 0.791 1.00 0.00 C ATOM 225 CE1 TYR A 15 -1.117 11.871 -0.617 1.00 0.00 C ATOM 226 CE2 TYR A 15 0.111 11.757 1.432 1.00 0.00 C ATOM 227 CZ TYR A 15 -0.997 12.169 0.724 1.00 0.00 C ATOM 228 OH TYR A 15 -1.984 12.890 1.357 1.00 0.00 O ATOM 0 H TYR A 15 2.245 9.673 -3.990 1.00 0.00 H new ATOM 0 HA TYR A 15 2.818 11.823 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.679 9.070 -1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.820 9.602 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.218 10.924 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.972 10.720 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.987 12.196 -1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.203 11.992 2.482 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.307 12.389 2.135 1.00 0.00 H new ATOM 238 N LYS A 16 5.134 10.999 -1.519 1.00 0.00 N ATOM 239 CA LYS A 16 6.557 10.699 -1.467 1.00 0.00 C ATOM 240 C LYS A 16 6.927 9.985 -0.175 1.00 0.00 C ATOM 241 O LYS A 16 7.964 9.325 -0.092 1.00 0.00 O ATOM 242 CB LYS A 16 7.392 11.970 -1.615 1.00 0.00 C ATOM 243 CG LYS A 16 7.341 12.580 -3.004 1.00 0.00 C ATOM 244 CD LYS A 16 8.253 13.792 -3.099 1.00 0.00 C ATOM 245 CE LYS A 16 8.316 14.338 -4.513 1.00 0.00 C ATOM 246 NZ LYS A 16 9.230 15.507 -4.607 1.00 0.00 N ATOM 0 H LYS A 16 4.832 11.734 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 16 6.777 10.035 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.045 12.708 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.429 11.743 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.640 11.837 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.317 12.871 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.896 14.570 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.256 13.520 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.655 13.555 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.317 14.630 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.249 15.855 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.892 16.263 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.189 15.222 -4.322 1.00 0.00 H new ATOM 260 N ILE A 17 6.098 10.142 0.842 1.00 0.00 N ATOM 261 CA ILE A 17 6.247 9.356 2.054 1.00 0.00 C ATOM 262 C ILE A 17 4.882 8.848 2.475 1.00 0.00 C ATOM 263 O ILE A 17 4.025 9.631 2.890 1.00 0.00 O ATOM 264 CB ILE A 17 6.856 10.159 3.238 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.239 10.729 2.894 1.00 0.00 C ATOM 266 CG2 ILE A 17 6.955 9.282 4.481 1.00 0.00 C ATOM 267 CD1 ILE A 17 8.195 12.066 2.183 1.00 0.00 C ATOM 0 H ILE A 17 5.320 10.802 0.853 1.00 0.00 H new ATOM 0 HA ILE A 17 6.935 8.543 1.824 1.00 0.00 H new ATOM 0 HB ILE A 17 6.188 10.997 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.815 10.837 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.770 10.013 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.383 9.859 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.960 8.936 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.592 8.423 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.211 12.401 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.648 11.962 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.694 12.798 2.816 1.00 0.00 H new ATOM 279 N ILE A 18 4.666 7.549 2.361 1.00 0.00 N ATOM 280 CA ILE A 18 3.411 6.979 2.843 1.00 0.00 C ATOM 281 C ILE A 18 3.609 6.189 4.130 1.00 0.00 C ATOM 282 O ILE A 18 4.433 5.283 4.214 1.00 0.00 O ATOM 283 CB ILE A 18 2.702 6.108 1.780 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.143 7.003 0.667 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.587 5.278 2.412 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.271 6.268 -0.334 1.00 0.00 C ATOM 0 H ILE A 18 5.320 6.882 1.952 1.00 0.00 H new ATOM 0 HA ILE A 18 2.760 7.827 3.055 1.00 0.00 H new ATOM 0 HB ILE A 18 3.429 5.419 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.562 7.807 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.974 7.469 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.103 4.674 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.008 4.625 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.852 5.942 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.914 6.968 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.853 5.481 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.419 5.825 0.182 1.00 0.00 H new ATOM 298 N GLU A 19 2.845 6.560 5.139 1.00 0.00 N ATOM 299 CA GLU A 19 2.899 5.904 6.428 1.00 0.00 C ATOM 300 C GLU A 19 1.883 4.771 6.462 1.00 0.00 C ATOM 301 O GLU A 19 0.762 4.923 5.972 1.00 0.00 O ATOM 302 CB GLU A 19 2.617 6.926 7.528 1.00 0.00 C ATOM 303 CG GLU A 19 3.484 8.167 7.411 1.00 0.00 C ATOM 304 CD GLU A 19 3.080 9.263 8.372 1.00 0.00 C ATOM 305 OE1 GLU A 19 2.150 10.026 8.049 1.00 0.00 O ATOM 306 OE2 GLU A 19 3.711 9.380 9.446 1.00 0.00 O ATOM 0 H GLU A 19 2.171 7.324 5.087 1.00 0.00 H new ATOM 0 HA GLU A 19 3.891 5.483 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.567 7.216 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.783 6.462 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.524 7.896 7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.429 8.547 6.391 1.00 0.00 H new ATOM 313 N ILE A 20 2.273 3.633 7.009 1.00 0.00 N ATOM 314 CA ILE A 20 1.406 2.466 7.025 1.00 0.00 C ATOM 315 C ILE A 20 1.411 1.793 8.389 1.00 0.00 C ATOM 316 O ILE A 20 2.377 1.898 9.143 1.00 0.00 O ATOM 317 CB ILE A 20 1.813 1.436 5.946 1.00 0.00 C ATOM 318 CG1 ILE A 20 3.305 1.097 6.054 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.477 1.956 4.557 1.00 0.00 C ATOM 320 CD1 ILE A 20 3.775 0.088 5.026 1.00 0.00 C ATOM 0 H ILE A 20 3.183 3.491 7.448 1.00 0.00 H new ATOM 0 HA ILE A 20 0.400 2.823 6.806 1.00 0.00 H new ATOM 0 HB ILE A 20 1.245 0.521 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.886 2.013 5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.509 0.708 7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.771 1.217 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.404 2.137 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.015 2.887 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.839 -0.103 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.221 -0.842 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.603 0.482 4.024 1.00 0.00 H new ATOM 332 N GLY A 21 0.318 1.112 8.702 1.00 0.00 N ATOM 333 CA GLY A 21 0.223 0.385 9.953 1.00 0.00 C ATOM 334 C GLY A 21 0.392 -1.104 9.750 1.00 0.00 C ATOM 335 O GLY A 21 0.120 -1.897 10.645 1.00 0.00 O ATOM 0 H GLY A 21 -0.509 1.050 8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.985 0.747 10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.744 0.582 10.415 1.00 0.00 H new ATOM 339 N VAL A 22 0.848 -1.477 8.562 1.00 0.00 N ATOM 340 CA VAL A 22 1.054 -2.876 8.211 1.00 0.00 C ATOM 341 C VAL A 22 2.437 -3.063 7.595 1.00 0.00 C ATOM 342 O VAL A 22 3.089 -2.089 7.221 1.00 0.00 O ATOM 343 CB VAL A 22 -0.024 -3.385 7.221 1.00 0.00 C ATOM 344 CG1 VAL A 22 -1.389 -3.442 7.888 1.00 0.00 C ATOM 345 CG2 VAL A 22 -0.080 -2.508 5.977 1.00 0.00 C ATOM 0 H VAL A 22 1.085 -0.822 7.817 1.00 0.00 H new ATOM 0 HA VAL A 22 0.974 -3.459 9.129 1.00 0.00 H new ATOM 0 HB VAL A 22 0.254 -4.394 6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.129 -3.802 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.349 -4.119 8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.669 -2.445 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.844 -2.887 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.324 -1.485 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.888 -2.523 5.477 1.00 0.00 H new ATOM 355 N LYS A 23 2.890 -4.306 7.500 1.00 0.00 N ATOM 356 CA LYS A 23 4.193 -4.593 6.912 1.00 0.00 C ATOM 357 C LYS A 23 4.056 -5.070 5.472 1.00 0.00 C ATOM 358 O LYS A 23 5.036 -5.112 4.729 1.00 0.00 O ATOM 359 CB LYS A 23 4.947 -5.633 7.741 1.00 0.00 C ATOM 360 CG LYS A 23 5.424 -5.110 9.086 1.00 0.00 C ATOM 361 CD LYS A 23 6.255 -6.147 9.824 1.00 0.00 C ATOM 362 CE LYS A 23 6.813 -5.596 11.127 1.00 0.00 C ATOM 363 NZ LYS A 23 7.792 -4.495 10.901 1.00 0.00 N ATOM 0 H LYS A 23 2.378 -5.128 7.820 1.00 0.00 H new ATOM 0 HA LYS A 23 4.764 -3.665 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.299 -6.494 7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.807 -5.985 7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.016 -4.207 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.564 -4.831 9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.642 -7.024 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.076 -6.476 9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.993 -5.229 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.296 -6.400 11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.270 -4.266 11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.498 -4.797 10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.293 -3.653 10.550 1.00 0.00 H new ATOM 377 N GLU A 24 2.845 -5.441 5.083 1.00 0.00 N ATOM 378 CA GLU A 24 2.580 -5.852 3.711 1.00 0.00 C ATOM 379 C GLU A 24 1.861 -4.734 2.961 1.00 0.00 C ATOM 380 O GLU A 24 0.712 -4.413 3.267 1.00 0.00 O ATOM 381 CB GLU A 24 1.726 -7.128 3.662 1.00 0.00 C ATOM 382 CG GLU A 24 2.356 -8.344 4.333 1.00 0.00 C ATOM 383 CD GLU A 24 2.051 -8.434 5.815 1.00 0.00 C ATOM 384 OE1 GLU A 24 0.971 -8.954 6.168 1.00 0.00 O ATOM 385 OE2 GLU A 24 2.885 -7.994 6.631 1.00 0.00 O ATOM 0 H GLU A 24 2.031 -5.466 5.697 1.00 0.00 H new ATOM 0 HA GLU A 24 3.539 -6.061 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.766 -6.925 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.521 -7.371 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.999 -9.248 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.436 -8.309 4.193 1.00 0.00 H new ATOM 392 N PHE A 25 2.535 -4.137 1.989 1.00 0.00 N ATOM 393 CA PHE A 25 1.934 -3.074 1.197 1.00 0.00 C ATOM 394 C PHE A 25 2.379 -3.195 -0.259 1.00 0.00 C ATOM 395 O PHE A 25 3.408 -3.802 -0.552 1.00 0.00 O ATOM 396 CB PHE A 25 2.317 -1.700 1.762 1.00 0.00 C ATOM 397 CG PHE A 25 1.371 -0.598 1.367 1.00 0.00 C ATOM 398 CD1 PHE A 25 0.233 -0.348 2.118 1.00 0.00 C ATOM 399 CD2 PHE A 25 1.615 0.186 0.250 1.00 0.00 C ATOM 400 CE1 PHE A 25 -0.641 0.661 1.764 1.00 0.00 C ATOM 401 CE2 PHE A 25 0.743 1.198 -0.108 1.00 0.00 C ATOM 402 CZ PHE A 25 -0.386 1.435 0.650 1.00 0.00 C ATOM 0 H PHE A 25 3.494 -4.369 1.731 1.00 0.00 H new ATOM 0 HA PHE A 25 0.849 -3.172 1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.355 -1.762 2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.321 -1.444 1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.027 -0.950 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.496 0.004 -0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.524 0.844 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.945 1.802 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.068 2.225 0.372 1.00 0.00 H new ATOM 412 N MET A 26 1.604 -2.631 -1.172 1.00 0.00 N ATOM 413 CA MET A 26 1.916 -2.730 -2.591 1.00 0.00 C ATOM 414 C MET A 26 1.470 -1.458 -3.315 1.00 0.00 C ATOM 415 O MET A 26 0.392 -0.932 -3.043 1.00 0.00 O ATOM 416 CB MET A 26 1.219 -3.965 -3.183 1.00 0.00 C ATOM 417 CG MET A 26 1.902 -4.546 -4.413 1.00 0.00 C ATOM 418 SD MET A 26 1.780 -3.489 -5.863 1.00 0.00 S ATOM 419 CE MET A 26 2.811 -4.378 -7.023 1.00 0.00 C ATOM 0 H MET A 26 0.758 -2.102 -0.959 1.00 0.00 H new ATOM 0 HA MET A 26 2.993 -2.837 -2.721 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.162 -4.737 -2.416 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.195 -3.699 -3.444 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.954 -4.720 -4.187 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.460 -5.516 -4.641 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.834 -3.844 -7.973 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.823 -4.455 -6.625 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.405 -5.378 -7.179 1.00 0.00 H new ATOM 429 N CYS A 27 2.314 -0.953 -4.208 1.00 0.00 N ATOM 430 CA CYS A 27 1.953 0.191 -5.037 1.00 0.00 C ATOM 431 C CYS A 27 0.863 -0.214 -6.032 1.00 0.00 C ATOM 432 O CYS A 27 1.162 -0.794 -7.075 1.00 0.00 O ATOM 433 CB CYS A 27 3.178 0.718 -5.791 1.00 0.00 C ATOM 434 SG CYS A 27 4.522 1.339 -4.736 1.00 0.00 S ATOM 0 H CYS A 27 3.252 -1.317 -4.376 1.00 0.00 H new ATOM 0 HA CYS A 27 1.576 0.984 -4.391 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.570 -0.081 -6.420 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.859 1.520 -6.457 1.00 0.00 H new ATOM 0 HG CYS A 27 5.645 1.291 -5.390 1.00 0.00 H new ATOM 439 N VAL A 28 -0.386 0.110 -5.685 1.00 0.00 N ATOM 440 CA VAL A 28 -1.585 -0.337 -6.412 1.00 0.00 C ATOM 441 C VAL A 28 -1.388 -0.423 -7.929 1.00 0.00 C ATOM 442 O VAL A 28 -1.198 0.589 -8.609 1.00 0.00 O ATOM 443 CB VAL A 28 -2.784 0.590 -6.112 1.00 0.00 C ATOM 444 CG1 VAL A 28 -4.049 0.083 -6.790 1.00 0.00 C ATOM 445 CG2 VAL A 28 -2.995 0.722 -4.611 1.00 0.00 C ATOM 0 H VAL A 28 -0.599 0.699 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.784 -1.347 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.558 1.577 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.878 0.754 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.895 0.049 -7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.281 -0.917 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.844 1.379 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.193 -0.261 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.100 1.143 -4.153 1.00 0.00 H new ATOM 581 N HIS A 38 6.388 -0.715 -10.572 1.00 0.00 N ATOM 582 CA HIS A 38 6.341 -0.479 -9.133 1.00 0.00 C ATOM 583 C HIS A 38 6.470 -1.793 -8.387 1.00 0.00 C ATOM 584 O HIS A 38 5.724 -2.735 -8.645 1.00 0.00 O ATOM 585 CB HIS A 38 5.046 0.230 -8.718 1.00 0.00 C ATOM 586 CG HIS A 38 5.022 1.687 -9.064 1.00 0.00 C ATOM 587 ND1 HIS A 38 5.666 2.653 -8.307 1.00 0.00 N ATOM 588 CD2 HIS A 38 4.455 2.341 -10.109 1.00 0.00 C ATOM 589 CE1 HIS A 38 5.488 3.837 -8.888 1.00 0.00 C ATOM 590 NE2 HIS A 38 4.765 3.671 -9.973 1.00 0.00 N ATOM 0 HA HIS A 38 7.177 0.172 -8.876 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.202 -0.263 -9.200 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.909 0.118 -7.642 1.00 0.00 H new ATOM 0 HD1 HIS A 38 6.189 2.485 -7.448 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.869 1.898 -10.900 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.874 4.779 -8.527 1.00 0.00 H new ATOM 598 N ILE A 39 7.415 -1.845 -7.464 1.00 0.00 N ATOM 599 CA ILE A 39 7.680 -3.058 -6.711 1.00 0.00 C ATOM 600 C ILE A 39 6.787 -3.124 -5.470 1.00 0.00 C ATOM 601 O ILE A 39 6.347 -2.092 -4.956 1.00 0.00 O ATOM 602 CB ILE A 39 9.176 -3.139 -6.303 1.00 0.00 C ATOM 603 CG1 ILE A 39 9.515 -4.509 -5.707 1.00 0.00 C ATOM 604 CG2 ILE A 39 9.528 -2.031 -5.319 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.385 -5.650 -6.693 1.00 0.00 C ATOM 0 H ILE A 39 8.014 -1.057 -7.218 1.00 0.00 H new ATOM 0 HA ILE A 39 7.453 -3.911 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 39 9.773 -3.005 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.535 -4.486 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.859 -4.698 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.581 -2.107 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.342 -1.061 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.914 -2.131 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.641 -6.588 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.359 -5.700 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.061 -5.485 -7.532 1.00 0.00 H new ATOM 617 N PHE A 40 6.496 -4.335 -5.018 1.00 0.00 N ATOM 618 CA PHE A 40 5.712 -4.536 -3.811 1.00 0.00 C ATOM 619 C PHE A 40 6.595 -4.398 -2.575 1.00 0.00 C ATOM 620 O PHE A 40 7.787 -4.709 -2.614 1.00 0.00 O ATOM 621 CB PHE A 40 5.022 -5.908 -3.831 1.00 0.00 C ATOM 622 CG PHE A 40 5.934 -7.059 -4.162 1.00 0.00 C ATOM 623 CD1 PHE A 40 6.608 -7.739 -3.162 1.00 0.00 C ATOM 624 CD2 PHE A 40 6.107 -7.463 -5.477 1.00 0.00 C ATOM 625 CE1 PHE A 40 7.440 -8.801 -3.466 1.00 0.00 C ATOM 626 CE2 PHE A 40 6.935 -8.524 -5.786 1.00 0.00 C ATOM 627 CZ PHE A 40 7.603 -9.194 -4.780 1.00 0.00 C ATOM 0 H PHE A 40 6.794 -5.198 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 40 4.939 -3.768 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.570 -6.088 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.211 -5.882 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.483 -7.437 -2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.588 -6.942 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.962 -9.322 -2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.060 -8.830 -6.814 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.252 -10.024 -5.020 1.00 0.00 H new ATOM 637 N ILE A 41 6.009 -3.932 -1.485 1.00 0.00 N ATOM 638 CA ILE A 41 6.761 -3.663 -0.273 1.00 0.00 C ATOM 639 C ILE A 41 6.477 -4.713 0.796 1.00 0.00 C ATOM 640 O ILE A 41 5.365 -4.811 1.322 1.00 0.00 O ATOM 641 CB ILE A 41 6.466 -2.242 0.283 1.00 0.00 C ATOM 642 CG1 ILE A 41 7.268 -1.181 -0.481 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.773 -2.153 1.774 1.00 0.00 C ATOM 644 CD1 ILE A 41 6.833 -0.980 -1.918 1.00 0.00 C ATOM 0 H ILE A 41 5.011 -3.732 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 41 7.817 -3.711 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 41 5.402 -2.051 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.185 -0.231 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.321 -1.461 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.556 -1.146 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.157 -2.871 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.826 -2.378 1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.453 -0.213 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.943 -1.916 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.789 -0.666 -1.942 1.00 0.00 H new ATOM 656 N ASP A 42 7.488 -5.518 1.082 1.00 0.00 N ATOM 657 CA ASP A 42 7.447 -6.439 2.205 1.00 0.00 C ATOM 658 C ASP A 42 8.375 -5.918 3.293 1.00 0.00 C ATOM 659 O ASP A 42 9.597 -5.916 3.132 1.00 0.00 O ATOM 660 CB ASP A 42 7.871 -7.850 1.775 1.00 0.00 C ATOM 661 CG ASP A 42 7.820 -8.860 2.911 1.00 0.00 C ATOM 662 OD1 ASP A 42 8.742 -8.867 3.751 1.00 0.00 O ATOM 663 OD2 ASP A 42 6.858 -9.659 2.963 1.00 0.00 O ATOM 0 H ASP A 42 8.355 -5.551 0.545 1.00 0.00 H new ATOM 0 HA ASP A 42 6.426 -6.502 2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.222 -8.188 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.884 -7.813 1.375 1.00 0.00 H new ATOM 668 N MET A 43 7.796 -5.423 4.369 1.00 0.00 N ATOM 669 CA MET A 43 8.575 -4.857 5.459 1.00 0.00 C ATOM 670 C MET A 43 9.114 -5.960 6.364 1.00 0.00 C ATOM 671 O MET A 43 8.429 -6.420 7.278 1.00 0.00 O ATOM 672 CB MET A 43 7.717 -3.876 6.260 1.00 0.00 C ATOM 673 CG MET A 43 8.473 -3.156 7.362 1.00 0.00 C ATOM 674 SD MET A 43 7.403 -2.113 8.374 1.00 0.00 S ATOM 675 CE MET A 43 6.812 -0.943 7.148 1.00 0.00 C ATOM 0 H MET A 43 6.787 -5.400 4.515 1.00 0.00 H new ATOM 0 HA MET A 43 9.424 -4.318 5.039 1.00 0.00 H new ATOM 0 HB2 MET A 43 7.296 -3.137 5.579 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.880 -4.417 6.701 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.965 -3.891 7.999 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.257 -2.543 6.918 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.761 0.052 7.590 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.496 -0.929 6.299 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.820 -1.241 6.810 1.00 0.00 H new ATOM 685 N GLY A 44 10.338 -6.390 6.088 1.00 0.00 N ATOM 686 CA GLY A 44 10.944 -7.457 6.859 1.00 0.00 C ATOM 687 C GLY A 44 11.684 -6.958 8.084 1.00 0.00 C ATOM 688 O GLY A 44 11.070 -6.656 9.108 1.00 0.00 O ATOM 0 H GLY A 44 10.924 -6.017 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.169 -8.158 7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.636 -8.009 6.223 1.00 0.00 H new ATOM 692 N SER A 45 13.003 -6.859 7.981 1.00 0.00 N ATOM 693 CA SER A 45 13.834 -6.489 9.122 1.00 0.00 C ATOM 694 C SER A 45 14.158 -4.995 9.114 1.00 0.00 C ATOM 695 O SER A 45 15.214 -4.574 9.591 1.00 0.00 O ATOM 696 CB SER A 45 15.126 -7.306 9.100 1.00 0.00 C ATOM 697 OG SER A 45 14.847 -8.693 9.010 1.00 0.00 O ATOM 0 H SER A 45 13.522 -7.030 7.119 1.00 0.00 H new ATOM 0 HA SER A 45 13.279 -6.705 10.035 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.740 -6.999 8.254 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.703 -7.105 10.002 1.00 0.00 H new ATOM 0 HG SER A 45 15.688 -9.196 8.996 1.00 0.00 H new ATOM 703 N THR A 46 13.245 -4.195 8.587 1.00 0.00 N ATOM 704 CA THR A 46 13.431 -2.755 8.553 1.00 0.00 C ATOM 705 C THR A 46 12.157 -2.064 9.019 1.00 0.00 C ATOM 706 O THR A 46 11.062 -2.578 8.804 1.00 0.00 O ATOM 707 CB THR A 46 13.775 -2.266 7.131 1.00 0.00 C ATOM 708 OG1 THR A 46 14.620 -3.216 6.467 1.00 0.00 O ATOM 709 CG2 THR A 46 14.480 -0.917 7.178 1.00 0.00 C ATOM 0 H THR A 46 12.369 -4.519 8.177 1.00 0.00 H new ATOM 0 HA THR A 46 14.261 -2.508 9.215 1.00 0.00 H new ATOM 0 HB THR A 46 12.841 -2.161 6.579 1.00 0.00 H new ATOM 0 HG1 THR A 46 15.467 -2.787 6.225 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.713 -0.593 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.830 -0.183 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.403 -1.009 7.750 1.00 0.00 H new ATOM 717 N ASP A 47 12.302 -0.911 9.663 1.00 0.00 N ATOM 718 CA ASP A 47 11.147 -0.142 10.125 1.00 0.00 C ATOM 719 C ASP A 47 10.463 0.546 8.944 1.00 0.00 C ATOM 720 O ASP A 47 9.313 0.980 9.038 1.00 0.00 O ATOM 721 CB ASP A 47 11.567 0.922 11.151 1.00 0.00 C ATOM 722 CG ASP A 47 12.450 0.377 12.259 1.00 0.00 C ATOM 723 OD1 ASP A 47 11.939 -0.327 13.154 1.00 0.00 O ATOM 724 OD2 ASP A 47 13.667 0.663 12.242 1.00 0.00 O ATOM 0 H ASP A 47 13.205 -0.487 9.878 1.00 0.00 H new ATOM 0 HA ASP A 47 10.454 -0.837 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.096 1.723 10.636 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.673 1.363 11.593 1.00 0.00 H new ATOM 729 N GLU A 48 11.186 0.646 7.832 1.00 0.00 N ATOM 730 CA GLU A 48 10.686 1.316 6.640 1.00 0.00 C ATOM 731 C GLU A 48 11.021 0.522 5.378 1.00 0.00 C ATOM 732 O GLU A 48 11.934 -0.311 5.374 1.00 0.00 O ATOM 733 CB GLU A 48 11.289 2.718 6.538 1.00 0.00 C ATOM 734 CG GLU A 48 12.808 2.720 6.558 1.00 0.00 C ATOM 735 CD GLU A 48 13.402 4.083 6.280 1.00 0.00 C ATOM 736 OE1 GLU A 48 13.234 4.994 7.116 1.00 0.00 O ATOM 737 OE2 GLU A 48 14.045 4.245 5.222 1.00 0.00 O ATOM 0 H GLU A 48 12.128 0.267 7.734 1.00 0.00 H new ATOM 0 HA GLU A 48 9.602 1.388 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.944 3.189 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.921 3.326 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.153 2.371 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.176 2.011 5.816 1.00 0.00 H new ATOM 744 N LYS A 49 10.260 0.775 4.323 1.00 0.00 N ATOM 745 CA LYS A 49 10.515 0.201 3.006 1.00 0.00 C ATOM 746 C LYS A 49 9.976 1.129 1.928 1.00 0.00 C ATOM 747 O LYS A 49 8.914 1.719 2.090 1.00 0.00 O ATOM 748 CB LYS A 49 9.887 -1.191 2.881 1.00 0.00 C ATOM 749 CG LYS A 49 10.805 -2.313 3.345 1.00 0.00 C ATOM 750 CD LYS A 49 11.946 -2.526 2.363 1.00 0.00 C ATOM 751 CE LYS A 49 13.145 -3.181 3.028 1.00 0.00 C ATOM 752 NZ LYS A 49 13.855 -2.237 3.931 1.00 0.00 N ATOM 0 H LYS A 49 9.444 1.387 4.355 1.00 0.00 H new ATOM 0 HA LYS A 49 11.592 0.092 2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.967 -1.220 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.611 -1.365 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.208 -2.074 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.234 -3.235 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.603 -3.148 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.244 -1.568 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.816 -4.051 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.834 -3.541 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.238 -2.758 4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.634 -1.781 3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.190 -1.511 4.266 1.00 0.00 H new ATOM 766 N ILE A 50 10.711 1.272 0.837 1.00 0.00 N ATOM 767 CA ILE A 50 10.328 2.212 -0.205 1.00 0.00 C ATOM 768 C ILE A 50 10.299 1.548 -1.586 1.00 0.00 C ATOM 769 O ILE A 50 11.007 0.573 -1.840 1.00 0.00 O ATOM 770 CB ILE A 50 11.297 3.426 -0.223 1.00 0.00 C ATOM 771 CG1 ILE A 50 10.786 4.527 -1.158 1.00 0.00 C ATOM 772 CG2 ILE A 50 12.698 2.988 -0.638 1.00 0.00 C ATOM 773 CD1 ILE A 50 11.659 5.761 -1.179 1.00 0.00 C ATOM 0 H ILE A 50 11.570 0.754 0.650 1.00 0.00 H new ATOM 0 HA ILE A 50 9.320 2.558 0.023 1.00 0.00 H new ATOM 0 HB ILE A 50 11.342 3.832 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.713 4.127 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.778 4.811 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.362 3.852 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.072 2.248 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.662 2.550 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.234 6.496 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.712 6.186 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.661 5.492 -1.513 1.00 0.00 H new ATOM 785 N CYS A 51 9.448 2.072 -2.458 1.00 0.00 N ATOM 786 CA CYS A 51 9.435 1.680 -3.859 1.00 0.00 C ATOM 787 C CYS A 51 10.311 2.657 -4.642 1.00 0.00 C ATOM 788 O CYS A 51 9.933 3.813 -4.845 1.00 0.00 O ATOM 789 CB CYS A 51 7.988 1.675 -4.389 1.00 0.00 C ATOM 790 SG CYS A 51 7.794 1.321 -6.165 1.00 0.00 S ATOM 0 H CYS A 51 8.752 2.777 -2.215 1.00 0.00 H new ATOM 0 HA CYS A 51 9.832 0.672 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.418 0.936 -3.826 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.542 2.648 -4.181 1.00 0.00 H new ATOM 0 HG CYS A 51 8.489 2.175 -6.856 1.00 0.00 H new ATOM 795 N PRO A 52 11.508 2.209 -5.063 1.00 0.00 N ATOM 796 CA PRO A 52 12.518 3.078 -5.695 1.00 0.00 C ATOM 797 C PRO A 52 12.029 3.722 -6.987 1.00 0.00 C ATOM 798 O PRO A 52 12.600 4.701 -7.458 1.00 0.00 O ATOM 799 CB PRO A 52 13.686 2.127 -5.991 1.00 0.00 C ATOM 800 CG PRO A 52 13.468 0.957 -5.093 1.00 0.00 C ATOM 801 CD PRO A 52 11.980 0.817 -4.954 1.00 0.00 C ATOM 0 HA PRO A 52 12.778 3.913 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.693 1.825 -7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.645 2.605 -5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.908 0.053 -5.515 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.938 1.117 -4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.559 0.185 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.703 0.370 -3.999 1.00 0.00 H new ATOM 809 N TYR A 53 10.959 3.178 -7.548 1.00 0.00 N ATOM 810 CA TYR A 53 10.430 3.667 -8.812 1.00 0.00 C ATOM 811 C TYR A 53 9.404 4.781 -8.606 1.00 0.00 C ATOM 812 O TYR A 53 8.650 5.108 -9.520 1.00 0.00 O ATOM 813 CB TYR A 53 9.794 2.519 -9.592 1.00 0.00 C ATOM 814 CG TYR A 53 10.767 1.427 -9.972 1.00 0.00 C ATOM 815 CD1 TYR A 53 11.744 1.645 -10.938 1.00 0.00 C ATOM 816 CD2 TYR A 53 10.704 0.175 -9.371 1.00 0.00 C ATOM 817 CE1 TYR A 53 12.630 0.647 -11.293 1.00 0.00 C ATOM 818 CE2 TYR A 53 11.586 -0.829 -9.722 1.00 0.00 C ATOM 819 CZ TYR A 53 12.547 -0.587 -10.684 1.00 0.00 C ATOM 820 OH TYR A 53 13.422 -1.589 -11.042 1.00 0.00 O ATOM 0 H TYR A 53 10.440 2.397 -7.147 1.00 0.00 H new ATOM 0 HA TYR A 53 11.264 4.081 -9.379 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.992 2.086 -8.994 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.337 2.917 -10.498 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.811 2.610 -11.418 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.954 -0.016 -8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 53 13.384 0.832 -12.044 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.524 -1.797 -9.247 1.00 0.00 H new ATOM 0 HH TYR A 53 13.229 -2.394 -10.518 1.00 0.00 H new ATOM 830 N CYS A 54 9.372 5.362 -7.411 1.00 0.00 N ATOM 831 CA CYS A 54 8.443 6.455 -7.133 1.00 0.00 C ATOM 832 C CYS A 54 8.918 7.336 -5.984 1.00 0.00 C ATOM 833 O CYS A 54 8.794 8.561 -6.056 1.00 0.00 O ATOM 834 CB CYS A 54 7.043 5.915 -6.817 1.00 0.00 C ATOM 835 SG CYS A 54 6.983 4.706 -5.465 1.00 0.00 S ATOM 0 H CYS A 54 9.970 5.100 -6.627 1.00 0.00 H new ATOM 0 HA CYS A 54 8.403 7.066 -8.035 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.393 6.753 -6.565 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.635 5.454 -7.716 1.00 0.00 H new ATOM 0 HG CYS A 54 7.268 3.524 -5.926 1.00 0.00 H new ATOM 840 N SER A 55 9.479 6.705 -4.947 1.00 0.00 N ATOM 841 CA SER A 55 9.782 7.380 -3.690 1.00 0.00 C ATOM 842 C SER A 55 8.481 7.730 -2.975 1.00 0.00 C ATOM 843 O SER A 55 7.832 8.728 -3.277 1.00 0.00 O ATOM 844 CB SER A 55 10.651 8.624 -3.904 1.00 0.00 C ATOM 845 OG SER A 55 11.908 8.271 -4.466 1.00 0.00 O ATOM 0 H SER A 55 9.733 5.717 -4.959 1.00 0.00 H new ATOM 0 HA SER A 55 10.362 6.701 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.137 9.324 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.803 9.135 -2.953 1.00 0.00 H new ATOM 0 HG SER A 55 12.447 9.079 -4.596 1.00 0.00 H new ATOM 851 N THR A 56 8.109 6.875 -2.032 1.00 0.00 N ATOM 852 CA THR A 56 6.835 6.924 -1.366 1.00 0.00 C ATOM 853 C THR A 56 7.025 6.174 -0.057 1.00 0.00 C ATOM 854 O THR A 56 6.182 5.385 0.366 1.00 0.00 O ATOM 855 CB THR A 56 5.736 6.257 -2.226 1.00 0.00 C ATOM 856 OG1 THR A 56 5.825 6.710 -3.582 1.00 0.00 O ATOM 857 CG2 THR A 56 4.356 6.581 -1.694 1.00 0.00 C ATOM 0 H THR A 56 8.706 6.114 -1.709 1.00 0.00 H new ATOM 0 HA THR A 56 6.513 7.952 -1.196 1.00 0.00 H new ATOM 0 HB THR A 56 5.892 5.179 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.214 6.003 -4.138 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.603 6.099 -2.318 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.266 6.217 -0.670 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.204 7.660 -1.710 1.00 0.00 H new ATOM 865 N LEU A 57 8.174 6.467 0.564 1.00 0.00 N ATOM 866 CA LEU A 57 8.730 5.696 1.676 1.00 0.00 C ATOM 867 C LEU A 57 7.656 5.258 2.658 1.00 0.00 C ATOM 868 O LEU A 57 6.998 6.085 3.286 1.00 0.00 O ATOM 869 CB LEU A 57 9.810 6.530 2.382 1.00 0.00 C ATOM 870 CG LEU A 57 10.721 5.775 3.358 1.00 0.00 C ATOM 871 CD1 LEU A 57 12.032 6.524 3.524 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.054 5.607 4.716 1.00 0.00 C ATOM 0 H LEU A 57 8.753 7.264 0.300 1.00 0.00 H new ATOM 0 HA LEU A 57 9.177 4.787 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.436 6.995 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.318 7.336 2.927 1.00 0.00 H new ATOM 0 HG LEU A 57 10.912 4.785 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.675 5.983 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.529 6.606 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.834 7.522 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.724 5.068 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.832 6.588 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.128 5.044 4.599 1.00 0.00 H new ATOM 884 N TYR A 58 7.490 3.950 2.768 1.00 0.00 N ATOM 885 CA TYR A 58 6.486 3.370 3.636 1.00 0.00 C ATOM 886 C TYR A 58 7.082 3.088 5.002 1.00 0.00 C ATOM 887 O TYR A 58 7.969 2.245 5.146 1.00 0.00 O ATOM 888 CB TYR A 58 5.926 2.090 3.016 1.00 0.00 C ATOM 889 CG TYR A 58 5.339 2.312 1.641 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.060 2.819 1.490 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.075 2.031 0.499 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.526 3.041 0.238 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.548 2.247 -0.758 1.00 0.00 C ATOM 894 CZ TYR A 58 4.273 2.754 -0.883 1.00 0.00 C ATOM 895 OH TYR A 58 3.745 2.979 -2.130 1.00 0.00 O ATOM 0 H TYR A 58 8.047 3.264 2.258 1.00 0.00 H new ATOM 0 HA TYR A 58 5.667 4.079 3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.720 1.346 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.158 1.680 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.471 3.044 2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.076 1.637 0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.527 3.438 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.131 2.020 -1.638 1.00 0.00 H new ATOM 0 HH TYR A 58 4.136 2.348 -2.770 1.00 0.00 H new ATOM 905 N ARG A 59 6.606 3.815 5.994 1.00 0.00 N ATOM 906 CA ARG A 59 7.139 3.704 7.341 1.00 0.00 C ATOM 907 C ARG A 59 6.062 3.241 8.312 1.00 0.00 C ATOM 908 O ARG A 59 4.900 3.638 8.199 1.00 0.00 O ATOM 909 CB ARG A 59 7.706 5.052 7.791 1.00 0.00 C ATOM 910 CG ARG A 59 8.378 5.012 9.153 1.00 0.00 C ATOM 911 CD ARG A 59 8.804 6.400 9.600 1.00 0.00 C ATOM 912 NE ARG A 59 9.371 6.393 10.945 1.00 0.00 N ATOM 913 CZ ARG A 59 8.713 6.799 12.028 1.00 0.00 C ATOM 914 NH1 ARG A 59 7.448 7.197 11.934 1.00 0.00 N ATOM 915 NH2 ARG A 59 9.319 6.803 13.207 1.00 0.00 N ATOM 0 H ARG A 59 5.849 4.491 5.894 1.00 0.00 H new ATOM 0 HA ARG A 59 7.938 2.962 7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.427 5.397 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.899 5.785 7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.693 4.586 9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.249 4.358 9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.539 6.797 8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.944 7.069 9.573 1.00 0.00 H new ATOM 0 HE ARG A 59 10.327 6.057 11.062 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.978 7.192 11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.948 7.507 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.288 6.495 13.283 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.816 7.114 14.038 1.00 0.00 H new ATOM 929 N TYR A 60 6.453 2.391 9.249 1.00 0.00 N ATOM 930 CA TYR A 60 5.544 1.917 10.279 1.00 0.00 C ATOM 931 C TYR A 60 5.658 2.795 11.520 1.00 0.00 C ATOM 932 O TYR A 60 6.704 2.833 12.170 1.00 0.00 O ATOM 933 CB TYR A 60 5.854 0.458 10.629 1.00 0.00 C ATOM 934 CG TYR A 60 4.941 -0.134 11.682 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.663 -0.563 11.356 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.363 -0.270 12.999 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.828 -1.111 12.314 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.535 -0.816 13.961 1.00 0.00 C ATOM 939 CZ TYR A 60 3.269 -1.235 13.614 1.00 0.00 C ATOM 940 OH TYR A 60 2.444 -1.782 14.571 1.00 0.00 O ATOM 0 H TYR A 60 7.398 2.014 9.317 1.00 0.00 H new ATOM 0 HA TYR A 60 4.523 1.974 9.902 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.784 -0.144 9.723 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.884 0.391 10.978 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.314 -0.468 10.338 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.355 0.057 13.275 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.835 -1.440 12.044 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.878 -0.914 14.980 1.00 0.00 H new ATOM 0 HH TYR A 60 2.909 -1.797 15.434 1.00 0.00 H new ATOM 950 N ASP A 61 4.591 3.512 11.834 1.00 0.00 N ATOM 951 CA ASP A 61 4.569 4.367 13.014 1.00 0.00 C ATOM 952 C ASP A 61 3.517 3.861 13.998 1.00 0.00 C ATOM 953 O ASP A 61 2.375 3.601 13.613 1.00 0.00 O ATOM 954 CB ASP A 61 4.275 5.819 12.624 1.00 0.00 C ATOM 955 CG ASP A 61 4.484 6.789 13.772 1.00 0.00 C ATOM 956 OD1 ASP A 61 3.657 6.801 14.703 1.00 0.00 O ATOM 957 OD2 ASP A 61 5.481 7.546 13.748 1.00 0.00 O ATOM 0 H ASP A 61 3.728 3.520 11.290 1.00 0.00 H new ATOM 0 HA ASP A 61 5.549 4.333 13.489 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.918 6.104 11.791 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.246 5.895 12.273 1.00 0.00 H new ATOM 962 N PRO A 62 3.890 3.711 15.279 1.00 0.00 N ATOM 963 CA PRO A 62 3.002 3.162 16.313 1.00 0.00 C ATOM 964 C PRO A 62 1.792 4.052 16.621 1.00 0.00 C ATOM 965 O PRO A 62 0.913 3.661 17.390 1.00 0.00 O ATOM 966 CB PRO A 62 3.906 3.051 17.543 1.00 0.00 C ATOM 967 CG PRO A 62 5.003 4.028 17.305 1.00 0.00 C ATOM 968 CD PRO A 62 5.217 4.054 15.819 1.00 0.00 C ATOM 0 HA PRO A 62 2.567 2.216 15.990 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.360 3.286 18.457 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.296 2.039 17.656 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.734 5.016 17.678 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.913 3.728 17.825 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.549 5.034 15.478 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.975 3.335 15.509 1.00 0.00 H new ATOM 976 N SER A 63 1.748 5.242 16.032 1.00 0.00 N ATOM 977 CA SER A 63 0.611 6.137 16.223 1.00 0.00 C ATOM 978 C SER A 63 -0.541 5.743 15.298 1.00 0.00 C ATOM 979 O SER A 63 -1.664 6.226 15.438 1.00 0.00 O ATOM 980 CB SER A 63 1.023 7.586 15.950 1.00 0.00 C ATOM 981 OG SER A 63 2.259 7.895 16.579 1.00 0.00 O ATOM 0 H SER A 63 2.480 5.608 15.423 1.00 0.00 H new ATOM 0 HA SER A 63 0.278 6.051 17.257 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.109 7.746 14.875 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.248 8.262 16.312 1.00 0.00 H new ATOM 0 HG SER A 63 2.999 7.590 16.014 1.00 0.00 H new ATOM 987 N LEU A 64 -0.249 4.861 14.350 1.00 0.00 N ATOM 988 CA LEU A 64 -1.246 4.419 13.386 1.00 0.00 C ATOM 989 C LEU A 64 -1.945 3.150 13.871 1.00 0.00 C ATOM 990 O LEU A 64 -1.844 2.778 15.041 1.00 0.00 O ATOM 991 CB LEU A 64 -0.588 4.175 12.023 1.00 0.00 C ATOM 992 CG LEU A 64 0.075 5.398 11.390 1.00 0.00 C ATOM 993 CD1 LEU A 64 0.766 5.016 10.094 1.00 0.00 C ATOM 994 CD2 LEU A 64 -0.949 6.492 11.140 1.00 0.00 C ATOM 0 H LEU A 64 0.671 4.438 14.229 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.996 5.203 13.282 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.163 3.393 12.135 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.344 3.795 11.336 1.00 0.00 H new ATOM 0 HG LEU A 64 0.824 5.779 12.084 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.233 5.899 9.657 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.529 4.265 10.296 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.033 4.610 9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.458 7.354 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.721 6.121 10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.404 6.787 12.085 1.00 0.00 H new ATOM 1006 N SER A 65 -2.656 2.496 12.965 1.00 0.00 N ATOM 1007 CA SER A 65 -3.390 1.283 13.287 1.00 0.00 C ATOM 1008 C SER A 65 -3.375 0.339 12.083 1.00 0.00 C ATOM 1009 O SER A 65 -3.040 0.754 10.973 1.00 0.00 O ATOM 1010 CB SER A 65 -4.825 1.637 13.692 1.00 0.00 C ATOM 1011 OG SER A 65 -5.568 0.488 14.065 1.00 0.00 O ATOM 0 H SER A 65 -2.740 2.789 11.992 1.00 0.00 H new ATOM 0 HA SER A 65 -2.914 0.777 14.127 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.804 2.342 14.523 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.323 2.138 12.862 1.00 0.00 H new ATOM 0 HG SER A 65 -6.477 0.754 14.318 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.757 -0.917 12.299 1.00 0.00 N ATOM 1018 CA TYR A 66 -3.658 -1.946 11.262 1.00 0.00 C ATOM 1019 C TYR A 66 -4.817 -1.878 10.269 1.00 0.00 C ATOM 1020 O TYR A 66 -4.919 -2.706 9.362 1.00 0.00 O ATOM 1021 CB TYR A 66 -3.589 -3.336 11.903 1.00 0.00 C ATOM 1022 CG TYR A 66 -2.256 -3.634 12.554 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -1.973 -3.206 13.847 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -1.273 -4.333 11.867 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -0.748 -3.469 14.432 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -0.048 -4.596 12.443 1.00 0.00 C ATOM 1027 CZ TYR A 66 0.212 -4.162 13.726 1.00 0.00 C ATOM 1028 OH TYR A 66 1.436 -4.421 14.304 1.00 0.00 O ATOM 0 H TYR A 66 -4.139 -1.249 13.184 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.741 -1.758 10.703 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.377 -3.422 12.651 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.789 -4.089 11.141 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.721 -2.660 14.402 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.471 -4.677 10.863 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.544 -3.133 15.438 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.705 -5.140 11.892 1.00 0.00 H new ATOM 0 HH TYR A 66 1.903 -3.576 14.473 1.00 0.00 H new ATOM 1038 N ASN A 67 -5.688 -0.895 10.438 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.782 -0.682 9.498 1.00 0.00 C ATOM 1040 C ASN A 67 -6.669 0.704 8.872 1.00 0.00 C ATOM 1041 O ASN A 67 -7.543 1.138 8.116 1.00 0.00 O ATOM 1042 CB ASN A 67 -8.139 -0.840 10.194 1.00 0.00 C ATOM 1043 CG ASN A 67 -8.322 -2.210 10.830 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -8.000 -2.414 12.002 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -8.843 -3.159 10.065 1.00 0.00 N ATOM 0 H ASN A 67 -5.661 -0.233 11.214 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.713 -1.435 8.713 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.240 -0.072 10.961 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.935 -0.672 9.469 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.989 -4.095 10.442 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.098 -2.953 9.099 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.580 1.392 9.191 1.00 0.00 N ATOM 1053 CA GLN A 68 -5.340 2.739 8.691 1.00 0.00 C ATOM 1054 C GLN A 68 -3.998 2.810 7.972 1.00 0.00 C ATOM 1055 O GLN A 68 -3.270 1.821 7.891 1.00 0.00 O ATOM 1056 CB GLN A 68 -5.366 3.769 9.832 1.00 0.00 C ATOM 1057 CG GLN A 68 -6.763 4.187 10.287 1.00 0.00 C ATOM 1058 CD GLN A 68 -7.527 3.085 10.995 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -6.940 2.213 11.631 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -8.847 3.123 10.902 1.00 0.00 N ATOM 0 H GLN A 68 -4.843 1.035 9.799 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.139 2.977 7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.829 3.357 10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.822 4.658 9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.677 5.044 10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.336 4.515 9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.299 3.863 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.412 2.413 11.368 1.00 0.00 H new ATOM 1069 N THR A 69 -3.676 3.987 7.461 1.00 0.00 N ATOM 1070 CA THR A 69 -2.437 4.194 6.730 1.00 0.00 C ATOM 1071 C THR A 69 -2.054 5.681 6.761 1.00 0.00 C ATOM 1072 O THR A 69 -1.851 6.239 7.837 1.00 0.00 O ATOM 1073 CB THR A 69 -2.555 3.650 5.278 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.410 4.009 4.487 1.00 0.00 O ATOM 1075 CG2 THR A 69 -3.833 4.147 4.612 1.00 0.00 C ATOM 0 H THR A 69 -4.260 4.819 7.540 1.00 0.00 H new ATOM 0 HA THR A 69 -1.637 3.633 7.214 1.00 0.00 H new ATOM 0 HB THR A 69 -2.595 2.563 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.660 4.229 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.892 3.753 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.697 3.808 5.184 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.825 5.236 4.578 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.983 6.325 5.604 1.00 0.00 N ATOM 1084 CA ASN A 70 -1.628 7.729 5.541 1.00 0.00 C ATOM 1085 C ASN A 70 -2.888 8.571 5.365 1.00 0.00 C ATOM 1086 O ASN A 70 -3.883 8.106 4.811 1.00 0.00 O ATOM 1087 CB ASN A 70 -0.643 7.991 4.388 1.00 0.00 C ATOM 1088 CG ASN A 70 -1.311 8.062 3.023 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -1.702 9.133 2.570 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -1.434 6.925 2.354 1.00 0.00 N ATOM 0 H ASN A 70 -2.167 5.894 4.698 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.139 8.009 6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.117 8.927 4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.108 7.201 4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.866 6.921 1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.097 6.054 2.763 1.00 0.00 H new ATOM 1097 N PRO A 71 -2.860 9.810 5.857 1.00 0.00 N ATOM 1098 CA PRO A 71 -4.010 10.715 5.801 1.00 0.00 C ATOM 1099 C PRO A 71 -4.321 11.210 4.386 1.00 0.00 C ATOM 1100 O PRO A 71 -3.427 11.654 3.663 1.00 0.00 O ATOM 1101 CB PRO A 71 -3.583 11.880 6.697 1.00 0.00 C ATOM 1102 CG PRO A 71 -2.092 11.858 6.675 1.00 0.00 C ATOM 1103 CD PRO A 71 -1.696 10.421 6.514 1.00 0.00 C ATOM 0 HA PRO A 71 -4.926 10.219 6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.969 12.828 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.965 11.759 7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.706 12.462 5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.683 12.273 7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.795 10.319 5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.488 9.953 7.476 1.00 0.00 H new ATOM 1111 N THR A 72 -5.598 11.112 4.008 1.00 0.00 N ATOM 1112 CA THR A 72 -6.104 11.650 2.745 1.00 0.00 C ATOM 1113 C THR A 72 -5.706 10.793 1.533 1.00 0.00 C ATOM 1114 O THR A 72 -6.575 10.284 0.818 1.00 0.00 O ATOM 1115 CB THR A 72 -5.638 13.106 2.522 1.00 0.00 C ATOM 1116 OG1 THR A 72 -5.917 13.900 3.686 1.00 0.00 O ATOM 1117 CG2 THR A 72 -6.330 13.718 1.315 1.00 0.00 C ATOM 0 H THR A 72 -6.313 10.654 4.573 1.00 0.00 H new ATOM 0 HA THR A 72 -7.191 11.630 2.829 1.00 0.00 H new ATOM 0 HB THR A 72 -4.563 13.091 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.616 14.820 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.985 14.743 1.179 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.093 13.134 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.408 13.716 1.474 1.00 0.00 H new ATOM 1125 N GLY A 73 -4.409 10.626 1.308 1.00 0.00 N ATOM 1126 CA GLY A 73 -3.938 9.950 0.111 1.00 0.00 C ATOM 1127 C GLY A 73 -3.983 8.440 0.214 1.00 0.00 C ATOM 1128 O GLY A 73 -2.971 7.764 0.020 1.00 0.00 O ATOM 0 H GLY A 73 -3.671 10.947 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.544 10.267 -0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.914 10.262 -0.094 1.00 0.00 H new ATOM 1132 N CYS A 74 -5.155 7.902 0.508 1.00 0.00 N ATOM 1133 CA CYS A 74 -5.321 6.466 0.619 1.00 0.00 C ATOM 1134 C CYS A 74 -6.735 6.049 0.236 1.00 0.00 C ATOM 1135 O CYS A 74 -7.631 6.890 0.152 1.00 0.00 O ATOM 1136 CB CYS A 74 -5.014 6.018 2.045 1.00 0.00 C ATOM 1137 SG CYS A 74 -6.033 6.825 3.300 1.00 0.00 S ATOM 0 H CYS A 74 -6.005 8.440 0.674 1.00 0.00 H new ATOM 0 HA CYS A 74 -4.626 5.986 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.155 4.939 2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.964 6.217 2.260 1.00 0.00 H new ATOM 0 HG CYS A 74 -5.327 7.724 3.920 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.898 4.750 -0.020 1.00 0.00 N ATOM 1144 CA LEU A 75 -8.201 4.130 -0.274 1.00 0.00 C ATOM 1145 C LEU A 75 -8.777 4.500 -1.639 1.00 0.00 C ATOM 1146 O LEU A 75 -9.303 5.596 -1.833 1.00 0.00 O ATOM 1147 CB LEU A 75 -9.197 4.498 0.823 1.00 0.00 C ATOM 1148 CG LEU A 75 -8.736 4.202 2.246 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -9.512 5.060 3.223 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -8.908 2.726 2.571 1.00 0.00 C ATOM 0 H LEU A 75 -6.121 4.091 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.034 3.053 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.422 5.562 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.128 3.961 0.641 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.676 4.441 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.180 4.846 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.340 6.113 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.576 4.840 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.573 2.537 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.959 2.453 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.315 2.129 1.878 1.00 0.00 H new ATOM 1162 N TYR A 76 -8.683 3.572 -2.579 1.00 0.00 N ATOM 1163 CA TYR A 76 -9.224 3.776 -3.913 1.00 0.00 C ATOM 1164 C TYR A 76 -10.340 2.776 -4.182 1.00 0.00 C ATOM 1165 O TYR A 76 -10.091 1.621 -4.530 1.00 0.00 O ATOM 1166 CB TYR A 76 -8.114 3.655 -4.966 1.00 0.00 C ATOM 1167 CG TYR A 76 -8.587 3.776 -6.400 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -9.116 4.963 -6.888 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -8.496 2.695 -7.265 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -9.542 5.067 -8.200 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -8.916 2.790 -8.575 1.00 0.00 C ATOM 1172 CZ TYR A 76 -9.438 3.976 -9.040 1.00 0.00 C ATOM 1173 OH TYR A 76 -9.853 4.073 -10.350 1.00 0.00 O ATOM 0 H TYR A 76 -8.235 2.666 -2.441 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.640 4.782 -3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.367 4.426 -4.778 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.617 2.693 -4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.196 5.818 -6.233 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.089 1.762 -6.906 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.954 5.996 -8.565 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.836 1.938 -9.233 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.709 3.216 -10.803 1.00 0.00 H new ATOM 1183 N ASN A 77 -11.569 3.223 -3.981 1.00 0.00 N ATOM 1184 CA ASN A 77 -12.741 2.396 -4.224 1.00 0.00 C ATOM 1185 C ASN A 77 -13.633 3.064 -5.257 1.00 0.00 C ATOM 1186 O ASN A 77 -14.040 4.209 -5.079 1.00 0.00 O ATOM 1187 CB ASN A 77 -13.520 2.160 -2.923 1.00 0.00 C ATOM 1188 CG ASN A 77 -12.836 1.162 -2.003 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -12.190 0.219 -2.458 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -12.971 1.360 -0.699 1.00 0.00 N ATOM 0 H ASN A 77 -11.782 4.163 -3.647 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.414 1.428 -4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -13.640 3.108 -2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -14.520 1.800 -3.163 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.532 0.720 -0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.514 2.153 -0.357 1.00 0.00 H new