USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=24 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 60 TYR OH : rot 180:sc= 0.699 USER MOD Set 1.2: A 66 TYR OH : rot 57:sc= 0.79 USER MOD Set 2.1: A 27 CYS SG : rot -120:sc= 0.92 USER MOD Set 2.2: A 38 HIS : no HE2:sc= -1.22 K(o=0.75,f=-1.6) USER MOD Set 2.3: A 51 CYS SG : rot 155:sc= 1.04 USER MOD Set 2.4: A 54 CYS SG : rot 123:sc= -0.0914 USER MOD Set 2.5: A 58 TYR OH : rot -124:sc= 0.105 USER MOD Single : A 8 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.016) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00666) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -2.51! (180deg=-4.01!) USER MOD Single : A 26 MET CE :methyl -177:sc= 0 (180deg=-0.0133) USER MOD Single : A 43 MET CE :methyl 159:sc= -0.0759 (180deg=-1.02) USER MOD Single : A 45 SER OG : rot 180:sc= 0.18 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.33) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -170:sc= -0.244 USER MOD Single : A 56 THR OG1 : rot -28:sc= -0.715 USER MOD Single : A 63 SER OG : rot 80:sc= 1.23 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 68 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.1) USER MOD Single : A 69 THR OG1 : rot 15:sc= 1.33 USER MOD Single : A 70 ASN : amide:sc= -0.953 X(o=-0.95,f=-1.3) USER MOD Single : A 72 THR OG1 : rot 21:sc= 0.837 USER MOD Single : A 74 CYS SG : rot -34:sc= -3.09! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -4.444 -7.772 0.599 1.00 0.00 N ATOM 78 CA ILE A 6 -3.792 -6.506 0.902 1.00 0.00 C ATOM 79 C ILE A 6 -4.716 -5.342 0.548 1.00 0.00 C ATOM 80 O ILE A 6 -5.145 -5.212 -0.597 1.00 0.00 O ATOM 81 CB ILE A 6 -2.458 -6.360 0.131 1.00 0.00 C ATOM 82 CG1 ILE A 6 -1.525 -7.532 0.467 1.00 0.00 C ATOM 83 CG2 ILE A 6 -1.788 -5.030 0.467 1.00 0.00 C ATOM 84 CD1 ILE A 6 -0.208 -7.502 -0.281 1.00 0.00 C ATOM 0 HA ILE A 6 -3.575 -6.491 1.970 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.669 -6.375 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.323 -7.528 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.038 -8.467 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.852 -4.945 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.449 -4.209 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.585 -4.985 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.395 -8.362 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.398 -7.539 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.327 -6.584 -0.038 1.00 0.00 H new ATOM 96 N PRO A 7 -5.052 -4.505 1.551 1.00 0.00 N ATOM 97 CA PRO A 7 -5.938 -3.349 1.370 1.00 0.00 C ATOM 98 C PRO A 7 -5.527 -2.487 0.182 1.00 0.00 C ATOM 99 O PRO A 7 -4.355 -2.149 0.016 1.00 0.00 O ATOM 100 CB PRO A 7 -5.782 -2.575 2.677 1.00 0.00 C ATOM 101 CG PRO A 7 -5.416 -3.610 3.682 1.00 0.00 C ATOM 102 CD PRO A 7 -4.589 -4.626 2.946 1.00 0.00 C ATOM 0 HA PRO A 7 -6.965 -3.649 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.010 -1.810 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.707 -2.066 2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.853 -3.172 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.306 -4.069 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.523 -4.415 3.034 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.749 -5.631 3.336 1.00 0.00 H new ATOM 110 N HIS A 8 -6.502 -2.125 -0.633 1.00 0.00 N ATOM 111 CA HIS A 8 -6.228 -1.451 -1.890 1.00 0.00 C ATOM 112 C HIS A 8 -6.215 0.057 -1.702 1.00 0.00 C ATOM 113 O HIS A 8 -7.264 0.706 -1.665 1.00 0.00 O ATOM 114 CB HIS A 8 -7.262 -1.857 -2.949 1.00 0.00 C ATOM 115 CG HIS A 8 -7.265 -3.327 -3.258 1.00 0.00 C ATOM 116 ND1 HIS A 8 -7.055 -3.835 -4.519 1.00 0.00 N ATOM 117 CD2 HIS A 8 -7.451 -4.399 -2.451 1.00 0.00 C ATOM 118 CE1 HIS A 8 -7.108 -5.155 -4.474 1.00 0.00 C ATOM 119 NE2 HIS A 8 -7.347 -5.523 -3.229 1.00 0.00 N ATOM 0 H HIS A 8 -7.492 -2.287 -0.447 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.240 -1.756 -2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.254 -1.565 -2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.066 -1.302 -3.867 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.646 -4.373 -1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.978 -5.821 -5.315 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.439 -6.484 -2.900 1.00 0.00 H new ATOM 128 N PHE A 9 -5.022 0.602 -1.553 1.00 0.00 N ATOM 129 CA PHE A 9 -4.841 2.037 -1.415 1.00 0.00 C ATOM 130 C PHE A 9 -4.152 2.585 -2.656 1.00 0.00 C ATOM 131 O PHE A 9 -3.512 1.842 -3.394 1.00 0.00 O ATOM 132 CB PHE A 9 -4.014 2.364 -0.169 1.00 0.00 C ATOM 133 CG PHE A 9 -4.643 1.905 1.118 1.00 0.00 C ATOM 134 CD1 PHE A 9 -5.902 2.351 1.487 1.00 0.00 C ATOM 135 CD2 PHE A 9 -3.970 1.037 1.964 1.00 0.00 C ATOM 136 CE1 PHE A 9 -6.479 1.941 2.673 1.00 0.00 C ATOM 137 CE2 PHE A 9 -4.541 0.623 3.151 1.00 0.00 C ATOM 138 CZ PHE A 9 -5.798 1.074 3.506 1.00 0.00 C ATOM 0 H PHE A 9 -4.154 0.066 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.820 2.504 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.031 1.903 -0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.857 3.442 -0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.439 3.028 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.988 0.681 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.461 2.297 2.949 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.006 -0.053 3.801 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.247 0.749 4.433 1.00 0.00 H new ATOM 148 N GLN A 10 -4.294 3.880 -2.886 1.00 0.00 N ATOM 149 CA GLN A 10 -3.667 4.514 -4.030 1.00 0.00 C ATOM 150 C GLN A 10 -2.588 5.486 -3.577 1.00 0.00 C ATOM 151 O GLN A 10 -2.483 5.807 -2.394 1.00 0.00 O ATOM 152 CB GLN A 10 -4.708 5.259 -4.867 1.00 0.00 C ATOM 153 CG GLN A 10 -5.436 6.359 -4.104 1.00 0.00 C ATOM 154 CD GLN A 10 -6.352 7.177 -4.987 1.00 0.00 C ATOM 155 OE1 GLN A 10 -6.867 6.691 -5.992 1.00 0.00 O ATOM 156 NE2 GLN A 10 -6.575 8.421 -4.604 1.00 0.00 N ATOM 0 H GLN A 10 -4.837 4.510 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.210 3.735 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.217 5.696 -5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.440 4.543 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.019 5.912 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.703 7.018 -3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.127 8.784 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.196 9.019 -5.149 1.00 0.00 H new ATOM 210 N GLY A 14 1.764 10.884 -5.017 1.00 0.00 N ATOM 211 CA GLY A 14 3.066 10.290 -4.815 1.00 0.00 C ATOM 212 C GLY A 14 3.840 11.040 -3.756 1.00 0.00 C ATOM 213 O GLY A 14 4.930 11.553 -4.016 1.00 0.00 O ATOM 0 HA2 GLY A 14 2.953 9.247 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.623 10.297 -5.752 1.00 0.00 H new ATOM 217 N TYR A 15 3.254 11.131 -2.564 1.00 0.00 N ATOM 218 CA TYR A 15 3.857 11.876 -1.468 1.00 0.00 C ATOM 219 C TYR A 15 5.167 11.221 -1.042 1.00 0.00 C ATOM 220 O TYR A 15 5.267 9.996 -0.977 1.00 0.00 O ATOM 221 CB TYR A 15 2.879 11.976 -0.294 1.00 0.00 C ATOM 222 CG TYR A 15 3.266 13.012 0.734 1.00 0.00 C ATOM 223 CD1 TYR A 15 3.178 14.368 0.445 1.00 0.00 C ATOM 224 CD2 TYR A 15 3.722 12.638 1.989 1.00 0.00 C ATOM 225 CE1 TYR A 15 3.533 15.319 1.379 1.00 0.00 C ATOM 226 CE2 TYR A 15 4.080 13.584 2.928 1.00 0.00 C ATOM 227 CZ TYR A 15 3.983 14.921 2.619 1.00 0.00 C ATOM 228 OH TYR A 15 4.344 15.864 3.551 1.00 0.00 O ATOM 0 H TYR A 15 2.360 10.696 -2.335 1.00 0.00 H new ATOM 0 HA TYR A 15 4.081 12.888 -1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.887 12.212 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.809 11.003 0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.826 14.683 -0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.798 11.589 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.459 16.370 1.140 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.435 13.276 3.901 1.00 0.00 H new ATOM 0 HH TYR A 15 4.637 15.417 4.372 1.00 0.00 H new ATOM 238 N LYS A 16 6.157 12.053 -0.739 1.00 0.00 N ATOM 239 CA LYS A 16 7.530 11.596 -0.561 1.00 0.00 C ATOM 240 C LYS A 16 7.674 10.632 0.615 1.00 0.00 C ATOM 241 O LYS A 16 8.396 9.638 0.526 1.00 0.00 O ATOM 242 CB LYS A 16 8.457 12.798 -0.374 1.00 0.00 C ATOM 243 CG LYS A 16 9.917 12.491 -0.647 1.00 0.00 C ATOM 244 CD LYS A 16 10.768 13.747 -0.558 1.00 0.00 C ATOM 245 CE LYS A 16 12.156 13.528 -1.133 1.00 0.00 C ATOM 246 NZ LYS A 16 12.914 12.488 -0.395 1.00 0.00 N ATOM 0 H LYS A 16 6.032 13.057 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 16 7.812 11.049 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.134 13.601 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.357 13.167 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.277 11.753 0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.019 12.049 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.276 14.558 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.851 14.057 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.071 13.238 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.710 14.466 -1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.872 12.410 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.975 12.750 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.427 11.574 -0.485 1.00 0.00 H new ATOM 260 N ILE A 17 7.005 10.925 1.717 1.00 0.00 N ATOM 261 CA ILE A 17 7.043 10.041 2.872 1.00 0.00 C ATOM 262 C ILE A 17 5.630 9.700 3.307 1.00 0.00 C ATOM 263 O ILE A 17 4.910 10.558 3.812 1.00 0.00 O ATOM 264 CB ILE A 17 7.784 10.701 4.057 1.00 0.00 C ATOM 265 CG1 ILE A 17 9.171 11.178 3.623 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.895 9.726 5.225 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.874 12.014 4.668 1.00 0.00 C ATOM 0 H ILE A 17 6.433 11.761 1.837 1.00 0.00 H new ATOM 0 HA ILE A 17 7.577 9.136 2.582 1.00 0.00 H new ATOM 0 HB ILE A 17 7.209 11.568 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.788 10.311 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.076 11.760 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.419 10.206 6.051 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.897 9.433 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.448 8.842 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.852 12.318 4.294 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.278 12.900 4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.000 11.428 5.578 1.00 0.00 H new ATOM 279 N ILE A 18 5.226 8.453 3.117 1.00 0.00 N ATOM 280 CA ILE A 18 3.884 8.048 3.534 1.00 0.00 C ATOM 281 C ILE A 18 3.910 6.970 4.622 1.00 0.00 C ATOM 282 O ILE A 18 4.471 5.888 4.448 1.00 0.00 O ATOM 283 CB ILE A 18 3.026 7.579 2.332 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.744 8.768 1.402 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.724 6.941 2.806 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.722 8.478 0.319 1.00 0.00 C ATOM 0 H ILE A 18 5.788 7.718 2.688 1.00 0.00 H new ATOM 0 HA ILE A 18 3.420 8.937 3.961 1.00 0.00 H new ATOM 0 HB ILE A 18 3.582 6.822 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.394 9.609 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.678 9.078 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.140 6.621 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.949 6.078 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.151 7.668 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.580 9.368 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.077 7.659 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.774 8.199 0.779 1.00 0.00 H new ATOM 298 N GLU A 19 3.271 7.278 5.741 1.00 0.00 N ATOM 299 CA GLU A 19 3.162 6.346 6.851 1.00 0.00 C ATOM 300 C GLU A 19 1.889 5.518 6.710 1.00 0.00 C ATOM 301 O GLU A 19 0.838 6.038 6.329 1.00 0.00 O ATOM 302 CB GLU A 19 3.138 7.112 8.175 1.00 0.00 C ATOM 303 CG GLU A 19 4.382 7.948 8.420 1.00 0.00 C ATOM 304 CD GLU A 19 4.294 8.759 9.698 1.00 0.00 C ATOM 305 OE1 GLU A 19 4.424 8.169 10.788 1.00 0.00 O ATOM 306 OE2 GLU A 19 4.100 9.990 9.613 1.00 0.00 O ATOM 0 H GLU A 19 2.816 8.176 5.904 1.00 0.00 H new ATOM 0 HA GLU A 19 4.025 5.680 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.264 7.763 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.022 6.402 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.252 7.293 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.536 8.621 7.576 1.00 0.00 H new ATOM 313 N ILE A 20 1.981 4.230 7.011 1.00 0.00 N ATOM 314 CA ILE A 20 0.872 3.314 6.783 1.00 0.00 C ATOM 315 C ILE A 20 0.646 2.404 7.984 1.00 0.00 C ATOM 316 O ILE A 20 1.557 2.173 8.779 1.00 0.00 O ATOM 317 CB ILE A 20 1.107 2.446 5.524 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.499 1.807 5.568 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.932 3.277 4.258 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.803 0.911 4.385 1.00 0.00 C ATOM 0 H ILE A 20 2.812 3.796 7.413 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.016 3.928 6.631 1.00 0.00 H new ATOM 0 HB ILE A 20 0.364 1.648 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.249 2.597 5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.592 1.225 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.101 2.648 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.080 3.680 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.649 4.098 4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.806 0.497 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.077 0.099 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.745 1.492 3.464 1.00 0.00 H new ATOM 332 N GLY A 21 -0.578 1.906 8.111 1.00 0.00 N ATOM 333 CA GLY A 21 -0.905 0.991 9.185 1.00 0.00 C ATOM 334 C GLY A 21 -0.631 -0.453 8.813 1.00 0.00 C ATOM 335 O GLY A 21 -0.669 -1.340 9.663 1.00 0.00 O ATOM 0 H GLY A 21 -1.353 2.122 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.326 1.252 10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.957 1.103 9.447 1.00 0.00 H new ATOM 339 N VAL A 22 -0.358 -0.693 7.539 1.00 0.00 N ATOM 340 CA VAL A 22 -0.045 -2.034 7.072 1.00 0.00 C ATOM 341 C VAL A 22 1.463 -2.242 7.030 1.00 0.00 C ATOM 342 O VAL A 22 2.222 -1.291 6.857 1.00 0.00 O ATOM 343 CB VAL A 22 -0.648 -2.321 5.680 1.00 0.00 C ATOM 344 CG1 VAL A 22 -2.165 -2.380 5.755 1.00 0.00 C ATOM 345 CG2 VAL A 22 -0.212 -1.275 4.666 1.00 0.00 C ATOM 0 H VAL A 22 -0.347 0.022 6.812 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.492 -2.732 7.780 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.275 -3.291 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.571 -2.583 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.465 -3.173 6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.549 -1.426 6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.652 -1.503 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.546 -0.290 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.875 -1.281 4.582 1.00 0.00 H new ATOM 355 N LYS A 23 1.891 -3.483 7.196 1.00 0.00 N ATOM 356 CA LYS A 23 3.311 -3.795 7.234 1.00 0.00 C ATOM 357 C LYS A 23 3.821 -4.172 5.842 1.00 0.00 C ATOM 358 O LYS A 23 4.723 -3.539 5.312 1.00 0.00 O ATOM 359 CB LYS A 23 3.570 -4.931 8.224 1.00 0.00 C ATOM 360 CG LYS A 23 5.039 -5.141 8.540 1.00 0.00 C ATOM 361 CD LYS A 23 5.231 -6.281 9.523 1.00 0.00 C ATOM 362 CE LYS A 23 6.700 -6.510 9.823 1.00 0.00 C ATOM 363 NZ LYS A 23 7.483 -6.743 8.585 1.00 0.00 N ATOM 0 H LYS A 23 1.277 -4.290 7.306 1.00 0.00 H new ATOM 0 HA LYS A 23 3.853 -2.909 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.034 -4.723 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.159 -5.855 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.585 -5.354 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.459 -4.225 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.699 -6.059 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.795 -7.193 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.103 -5.646 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.806 -7.367 10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.405 -7.157 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.964 -7.396 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.630 -5.839 8.092 1.00 0.00 H new ATOM 377 N GLU A 24 3.235 -5.204 5.252 1.00 0.00 N ATOM 378 CA GLU A 24 3.615 -5.627 3.908 1.00 0.00 C ATOM 379 C GLU A 24 2.652 -4.996 2.909 1.00 0.00 C ATOM 380 O GLU A 24 1.437 -5.191 3.007 1.00 0.00 O ATOM 381 CB GLU A 24 3.578 -7.154 3.801 1.00 0.00 C ATOM 382 CG GLU A 24 4.222 -7.869 4.985 1.00 0.00 C ATOM 383 CD GLU A 24 5.633 -7.393 5.297 1.00 0.00 C ATOM 384 OE1 GLU A 24 6.321 -6.898 4.385 1.00 0.00 O ATOM 385 OE2 GLU A 24 6.068 -7.545 6.464 1.00 0.00 O ATOM 0 H GLU A 24 2.497 -5.763 5.679 1.00 0.00 H new ATOM 0 HA GLU A 24 4.632 -5.301 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.541 -7.478 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.085 -7.457 2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.597 -7.727 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.247 -8.940 4.781 1.00 0.00 H new ATOM 392 N PHE A 25 3.178 -4.235 1.965 1.00 0.00 N ATOM 393 CA PHE A 25 2.331 -3.437 1.086 1.00 0.00 C ATOM 394 C PHE A 25 2.695 -3.658 -0.380 1.00 0.00 C ATOM 395 O PHE A 25 3.770 -4.155 -0.693 1.00 0.00 O ATOM 396 CB PHE A 25 2.465 -1.951 1.464 1.00 0.00 C ATOM 397 CG PHE A 25 1.543 -1.029 0.711 1.00 0.00 C ATOM 398 CD1 PHE A 25 0.177 -1.040 0.949 1.00 0.00 C ATOM 399 CD2 PHE A 25 2.047 -0.151 -0.237 1.00 0.00 C ATOM 400 CE1 PHE A 25 -0.668 -0.195 0.257 1.00 0.00 C ATOM 401 CE2 PHE A 25 1.206 0.696 -0.932 1.00 0.00 C ATOM 402 CZ PHE A 25 -0.154 0.674 -0.686 1.00 0.00 C ATOM 0 H PHE A 25 4.179 -4.151 1.786 1.00 0.00 H new ATOM 0 HA PHE A 25 1.295 -3.750 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.274 -1.842 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.494 -1.636 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.231 -1.718 1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.109 -0.129 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.730 -0.213 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.611 1.375 -1.667 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.813 1.335 -1.230 1.00 0.00 H new ATOM 412 N MET A 26 1.783 -3.314 -1.271 1.00 0.00 N ATOM 413 CA MET A 26 2.042 -3.375 -2.696 1.00 0.00 C ATOM 414 C MET A 26 1.283 -2.261 -3.399 1.00 0.00 C ATOM 415 O MET A 26 0.118 -2.011 -3.092 1.00 0.00 O ATOM 416 CB MET A 26 1.625 -4.728 -3.274 1.00 0.00 C ATOM 417 CG MET A 26 1.922 -4.858 -4.760 1.00 0.00 C ATOM 418 SD MET A 26 1.300 -6.393 -5.469 1.00 0.00 S ATOM 419 CE MET A 26 1.893 -6.234 -7.151 1.00 0.00 C ATOM 0 H MET A 26 0.848 -2.987 -1.028 1.00 0.00 H new ATOM 0 HA MET A 26 3.113 -3.251 -2.857 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.142 -5.522 -2.735 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.558 -4.874 -3.109 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.479 -4.014 -5.289 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.999 -4.802 -4.916 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.546 -7.082 -7.741 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.512 -5.310 -7.585 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.983 -6.213 -7.152 1.00 0.00 H new ATOM 429 N CYS A 27 1.946 -1.573 -4.312 1.00 0.00 N ATOM 430 CA CYS A 27 1.279 -0.556 -5.105 1.00 0.00 C ATOM 431 C CYS A 27 0.389 -1.222 -6.150 1.00 0.00 C ATOM 432 O CYS A 27 0.863 -2.060 -6.919 1.00 0.00 O ATOM 433 CB CYS A 27 2.295 0.339 -5.812 1.00 0.00 C ATOM 434 SG CYS A 27 3.476 1.190 -4.730 1.00 0.00 S ATOM 0 H CYS A 27 2.936 -1.698 -4.521 1.00 0.00 H new ATOM 0 HA CYS A 27 0.676 0.058 -4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.854 -0.268 -6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.753 1.088 -6.389 1.00 0.00 H new ATOM 0 HG CYS A 27 3.354 2.475 -4.880 1.00 0.00 H new ATOM 439 N VAL A 28 -0.888 -0.841 -6.171 1.00 0.00 N ATOM 440 CA VAL A 28 -1.858 -1.399 -7.117 1.00 0.00 C ATOM 441 C VAL A 28 -1.333 -1.347 -8.552 1.00 0.00 C ATOM 442 O VAL A 28 -1.388 -2.338 -9.280 1.00 0.00 O ATOM 443 CB VAL A 28 -3.207 -0.648 -7.041 1.00 0.00 C ATOM 444 CG1 VAL A 28 -4.214 -1.229 -8.026 1.00 0.00 C ATOM 445 CG2 VAL A 28 -3.761 -0.686 -5.624 1.00 0.00 C ATOM 0 H VAL A 28 -1.279 -0.142 -5.539 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.011 -2.441 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.030 0.392 -7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.154 -0.682 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.823 -1.142 -9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.386 -2.280 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.711 -0.152 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.916 -1.722 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.054 -0.211 -4.944 1.00 0.00 H new ATOM 581 N HIS A 38 2.645 -2.676 -9.814 1.00 0.00 N ATOM 582 CA HIS A 38 3.925 -2.199 -9.327 1.00 0.00 C ATOM 583 C HIS A 38 4.603 -3.328 -8.565 1.00 0.00 C ATOM 584 O HIS A 38 4.152 -4.468 -8.624 1.00 0.00 O ATOM 585 CB HIS A 38 3.769 -0.948 -8.455 1.00 0.00 C ATOM 586 CG HIS A 38 4.799 0.107 -8.756 1.00 0.00 C ATOM 587 ND1 HIS A 38 5.375 0.934 -7.796 1.00 0.00 N ATOM 588 CD2 HIS A 38 5.356 0.468 -9.938 1.00 0.00 C ATOM 589 CE1 HIS A 38 6.242 1.745 -8.399 1.00 0.00 C ATOM 590 NE2 HIS A 38 6.245 1.482 -9.687 1.00 0.00 N ATOM 0 HA HIS A 38 4.546 -1.905 -10.173 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.773 -0.530 -8.603 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.842 -1.231 -7.405 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.168 0.921 -6.797 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.139 0.035 -10.903 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.844 2.496 -7.910 1.00 0.00 H new ATOM 598 N ILE A 39 5.678 -3.030 -7.859 1.00 0.00 N ATOM 599 CA ILE A 39 6.436 -4.075 -7.200 1.00 0.00 C ATOM 600 C ILE A 39 5.880 -4.358 -5.801 1.00 0.00 C ATOM 601 O ILE A 39 5.285 -3.480 -5.170 1.00 0.00 O ATOM 602 CB ILE A 39 7.942 -3.706 -7.142 1.00 0.00 C ATOM 603 CG1 ILE A 39 8.776 -4.861 -7.697 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.392 -3.346 -5.729 1.00 0.00 C ATOM 605 CD1 ILE A 39 8.558 -5.109 -9.174 1.00 0.00 C ATOM 0 H ILE A 39 6.042 -2.086 -7.728 1.00 0.00 H new ATOM 0 HA ILE A 39 6.336 -4.989 -7.786 1.00 0.00 H new ATOM 0 HB ILE A 39 8.094 -2.819 -7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.832 -4.652 -7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.536 -5.770 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.453 -3.095 -5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.819 -2.490 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.226 -4.196 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.181 -5.942 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.510 -5.349 -9.352 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.826 -4.215 -9.737 1.00 0.00 H new ATOM 617 N PHE A 40 6.051 -5.599 -5.349 1.00 0.00 N ATOM 618 CA PHE A 40 5.641 -6.007 -4.009 1.00 0.00 C ATOM 619 C PHE A 40 6.595 -5.427 -2.977 1.00 0.00 C ATOM 620 O PHE A 40 7.794 -5.710 -3.006 1.00 0.00 O ATOM 621 CB PHE A 40 5.649 -7.535 -3.877 1.00 0.00 C ATOM 622 CG PHE A 40 4.710 -8.266 -4.798 1.00 0.00 C ATOM 623 CD1 PHE A 40 5.020 -8.436 -6.140 1.00 0.00 C ATOM 624 CD2 PHE A 40 3.529 -8.805 -4.314 1.00 0.00 C ATOM 625 CE1 PHE A 40 4.170 -9.130 -6.979 1.00 0.00 C ATOM 626 CE2 PHE A 40 2.673 -9.498 -5.150 1.00 0.00 C ATOM 627 CZ PHE A 40 2.995 -9.660 -6.484 1.00 0.00 C ATOM 0 H PHE A 40 6.476 -6.346 -5.899 1.00 0.00 H new ATOM 0 HA PHE A 40 4.630 -5.636 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.662 -7.893 -4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.399 -7.795 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.936 -8.021 -6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.274 -8.682 -3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.424 -9.258 -8.021 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.754 -9.912 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.328 -10.201 -7.139 1.00 0.00 H new ATOM 637 N ILE A 41 6.070 -4.636 -2.059 1.00 0.00 N ATOM 638 CA ILE A 41 6.898 -3.996 -1.055 1.00 0.00 C ATOM 639 C ILE A 41 6.847 -4.772 0.252 1.00 0.00 C ATOM 640 O ILE A 41 6.019 -4.504 1.124 1.00 0.00 O ATOM 641 CB ILE A 41 6.459 -2.540 -0.807 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.339 -1.794 -2.136 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.449 -1.833 0.111 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.767 -0.405 -1.995 1.00 0.00 C ATOM 0 H ILE A 41 5.075 -4.422 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 41 7.921 -3.988 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 41 5.484 -2.548 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.324 -1.728 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.709 -2.371 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.123 -0.806 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.497 -2.356 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.436 -1.831 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.710 0.066 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.768 -0.465 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.409 0.189 -1.344 1.00 0.00 H new ATOM 656 N ASP A 42 7.708 -5.766 0.360 1.00 0.00 N ATOM 657 CA ASP A 42 7.834 -6.533 1.587 1.00 0.00 C ATOM 658 C ASP A 42 8.932 -5.938 2.442 1.00 0.00 C ATOM 659 O ASP A 42 10.032 -5.664 1.952 1.00 0.00 O ATOM 660 CB ASP A 42 8.165 -7.997 1.276 1.00 0.00 C ATOM 661 CG ASP A 42 8.465 -8.819 2.520 1.00 0.00 C ATOM 662 OD1 ASP A 42 9.616 -8.769 3.021 1.00 0.00 O ATOM 663 OD2 ASP A 42 7.564 -9.548 2.983 1.00 0.00 O ATOM 0 H ASP A 42 8.333 -6.063 -0.389 1.00 0.00 H new ATOM 0 HA ASP A 42 6.885 -6.495 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.327 -8.447 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.025 -8.035 0.607 1.00 0.00 H new ATOM 668 N MET A 43 8.640 -5.733 3.705 1.00 0.00 N ATOM 669 CA MET A 43 9.630 -5.221 4.622 1.00 0.00 C ATOM 670 C MET A 43 9.557 -5.974 5.943 1.00 0.00 C ATOM 671 O MET A 43 9.318 -5.400 7.007 1.00 0.00 O ATOM 672 CB MET A 43 9.492 -3.701 4.806 1.00 0.00 C ATOM 673 CG MET A 43 8.124 -3.209 5.257 1.00 0.00 C ATOM 674 SD MET A 43 8.077 -1.408 5.391 1.00 0.00 S ATOM 675 CE MET A 43 6.415 -1.133 5.990 1.00 0.00 C ATOM 0 H MET A 43 7.726 -5.913 4.120 1.00 0.00 H new ATOM 0 HA MET A 43 10.620 -5.389 4.199 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.233 -3.374 5.535 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.738 -3.216 3.861 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.365 -3.542 4.549 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.877 -3.653 6.221 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.357 -0.154 6.465 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.716 -1.173 5.155 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.158 -1.904 6.716 1.00 0.00 H new ATOM 685 N GLY A 44 9.743 -7.288 5.848 1.00 0.00 N ATOM 686 CA GLY A 44 9.798 -8.127 7.029 1.00 0.00 C ATOM 687 C GLY A 44 11.029 -7.847 7.863 1.00 0.00 C ATOM 688 O GLY A 44 11.038 -8.079 9.072 1.00 0.00 O ATOM 0 H GLY A 44 9.857 -7.788 4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.905 -7.963 7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.793 -9.175 6.730 1.00 0.00 H new ATOM 692 N SER A 45 12.066 -7.342 7.212 1.00 0.00 N ATOM 693 CA SER A 45 13.304 -6.994 7.885 1.00 0.00 C ATOM 694 C SER A 45 13.176 -5.655 8.618 1.00 0.00 C ATOM 695 O SER A 45 13.003 -5.612 9.837 1.00 0.00 O ATOM 696 CB SER A 45 14.436 -6.953 6.858 1.00 0.00 C ATOM 697 OG SER A 45 13.996 -6.341 5.651 1.00 0.00 O ATOM 0 H SER A 45 12.072 -7.163 6.208 1.00 0.00 H new ATOM 0 HA SER A 45 13.528 -7.751 8.637 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.283 -6.400 7.264 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.785 -7.965 6.653 1.00 0.00 H new ATOM 0 HG SER A 45 14.734 -6.322 5.006 1.00 0.00 H new ATOM 703 N THR A 46 13.244 -4.570 7.862 1.00 0.00 N ATOM 704 CA THR A 46 13.101 -3.233 8.414 1.00 0.00 C ATOM 705 C THR A 46 11.674 -2.735 8.201 1.00 0.00 C ATOM 706 O THR A 46 11.148 -2.831 7.099 1.00 0.00 O ATOM 707 CB THR A 46 14.100 -2.265 7.747 1.00 0.00 C ATOM 708 OG1 THR A 46 15.418 -2.831 7.786 1.00 0.00 O ATOM 709 CG2 THR A 46 14.110 -0.911 8.444 1.00 0.00 C ATOM 0 H THR A 46 13.399 -4.591 6.854 1.00 0.00 H new ATOM 0 HA THR A 46 13.313 -3.271 9.482 1.00 0.00 H new ATOM 0 HB THR A 46 13.787 -2.115 6.714 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.051 -2.216 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.824 -0.253 7.950 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.115 -0.469 8.395 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.398 -1.041 9.487 1.00 0.00 H new ATOM 717 N ASP A 47 11.053 -2.200 9.250 1.00 0.00 N ATOM 718 CA ASP A 47 9.647 -1.774 9.186 1.00 0.00 C ATOM 719 C ASP A 47 9.507 -0.402 8.530 1.00 0.00 C ATOM 720 O ASP A 47 8.455 0.236 8.601 1.00 0.00 O ATOM 721 CB ASP A 47 9.027 -1.745 10.587 1.00 0.00 C ATOM 722 CG ASP A 47 9.028 -3.104 11.256 1.00 0.00 C ATOM 723 OD1 ASP A 47 8.051 -3.864 11.089 1.00 0.00 O ATOM 724 OD2 ASP A 47 10.013 -3.419 11.960 1.00 0.00 O ATOM 0 H ASP A 47 11.496 -2.049 10.156 1.00 0.00 H new ATOM 0 HA ASP A 47 9.114 -2.501 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.577 -1.038 11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.003 -1.379 10.519 1.00 0.00 H new ATOM 729 N GLU A 48 10.575 0.043 7.892 1.00 0.00 N ATOM 730 CA GLU A 48 10.575 1.295 7.157 1.00 0.00 C ATOM 731 C GLU A 48 11.216 1.069 5.797 1.00 0.00 C ATOM 732 O GLU A 48 12.423 0.850 5.702 1.00 0.00 O ATOM 733 CB GLU A 48 11.337 2.376 7.928 1.00 0.00 C ATOM 734 CG GLU A 48 10.712 2.731 9.267 1.00 0.00 C ATOM 735 CD GLU A 48 11.558 3.704 10.059 1.00 0.00 C ATOM 736 OE1 GLU A 48 11.394 4.929 9.881 1.00 0.00 O ATOM 737 OE2 GLU A 48 12.397 3.247 10.864 1.00 0.00 O ATOM 0 H GLU A 48 11.466 -0.453 7.869 1.00 0.00 H new ATOM 0 HA GLU A 48 9.548 1.636 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.360 2.038 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.394 3.275 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.725 3.163 9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.568 1.821 9.850 1.00 0.00 H new ATOM 744 N LYS A 49 10.408 1.103 4.751 1.00 0.00 N ATOM 745 CA LYS A 49 10.896 0.816 3.412 1.00 0.00 C ATOM 746 C LYS A 49 10.209 1.711 2.392 1.00 0.00 C ATOM 747 O LYS A 49 9.091 2.170 2.604 1.00 0.00 O ATOM 748 CB LYS A 49 10.658 -0.658 3.081 1.00 0.00 C ATOM 749 CG LYS A 49 11.332 -1.123 1.802 1.00 0.00 C ATOM 750 CD LYS A 49 11.213 -2.626 1.636 1.00 0.00 C ATOM 751 CE LYS A 49 11.995 -3.111 0.430 1.00 0.00 C ATOM 752 NZ LYS A 49 12.111 -4.591 0.403 1.00 0.00 N ATOM 0 H LYS A 49 9.414 1.326 4.802 1.00 0.00 H new ATOM 0 HA LYS A 49 11.966 1.018 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.016 -1.268 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.585 -0.832 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.879 -0.623 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.384 -0.838 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.580 -3.123 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.164 -2.900 1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.505 -2.769 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.991 -2.669 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.185 -4.916 -0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.960 -4.882 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.269 -5.013 0.845 1.00 0.00 H new ATOM 766 N ILE A 50 10.882 1.963 1.285 1.00 0.00 N ATOM 767 CA ILE A 50 10.360 2.855 0.270 1.00 0.00 C ATOM 768 C ILE A 50 10.108 2.095 -1.032 1.00 0.00 C ATOM 769 O ILE A 50 10.691 1.038 -1.262 1.00 0.00 O ATOM 770 CB ILE A 50 11.346 4.028 0.021 1.00 0.00 C ATOM 771 CG1 ILE A 50 10.741 5.068 -0.927 1.00 0.00 C ATOM 772 CG2 ILE A 50 12.668 3.508 -0.528 1.00 0.00 C ATOM 773 CD1 ILE A 50 11.633 6.268 -1.167 1.00 0.00 C ATOM 0 H ILE A 50 11.794 1.561 1.067 1.00 0.00 H new ATOM 0 HA ILE A 50 9.413 3.262 0.625 1.00 0.00 H new ATOM 0 HB ILE A 50 11.535 4.516 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.524 4.592 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.790 5.410 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.346 4.344 -0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.113 2.818 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.492 2.989 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.137 6.960 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.830 6.770 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.575 5.939 -1.606 1.00 0.00 H new ATOM 785 N CYS A 51 9.223 2.625 -1.865 1.00 0.00 N ATOM 786 CA CYS A 51 9.006 2.087 -3.199 1.00 0.00 C ATOM 787 C CYS A 51 9.900 2.859 -4.161 1.00 0.00 C ATOM 788 O CYS A 51 9.629 4.026 -4.457 1.00 0.00 O ATOM 789 CB CYS A 51 7.523 2.222 -3.590 1.00 0.00 C ATOM 790 SG CYS A 51 7.027 1.366 -5.120 1.00 0.00 S ATOM 0 H CYS A 51 8.641 3.431 -1.638 1.00 0.00 H new ATOM 0 HA CYS A 51 9.256 1.027 -3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.914 1.842 -2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.289 3.281 -3.696 1.00 0.00 H new ATOM 0 HG CYS A 51 5.759 1.086 -5.069 1.00 0.00 H new ATOM 795 N PRO A 52 10.997 2.223 -4.624 1.00 0.00 N ATOM 796 CA PRO A 52 12.062 2.881 -5.399 1.00 0.00 C ATOM 797 C PRO A 52 11.535 3.832 -6.466 1.00 0.00 C ATOM 798 O PRO A 52 11.867 5.019 -6.477 1.00 0.00 O ATOM 799 CB PRO A 52 12.791 1.704 -6.044 1.00 0.00 C ATOM 800 CG PRO A 52 12.634 0.593 -5.064 1.00 0.00 C ATOM 801 CD PRO A 52 11.285 0.786 -4.422 1.00 0.00 C ATOM 0 HA PRO A 52 12.689 3.510 -4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.356 1.447 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.842 1.935 -6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.694 -0.375 -5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.428 0.618 -4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.527 0.157 -4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.306 0.528 -3.363 1.00 0.00 H new ATOM 809 N TYR A 53 10.690 3.316 -7.342 1.00 0.00 N ATOM 810 CA TYR A 53 10.138 4.116 -8.422 1.00 0.00 C ATOM 811 C TYR A 53 8.826 4.773 -7.990 1.00 0.00 C ATOM 812 O TYR A 53 7.782 4.573 -8.611 1.00 0.00 O ATOM 813 CB TYR A 53 9.933 3.241 -9.662 1.00 0.00 C ATOM 814 CG TYR A 53 11.210 2.574 -10.135 1.00 0.00 C ATOM 815 CD1 TYR A 53 12.115 3.257 -10.938 1.00 0.00 C ATOM 816 CD2 TYR A 53 11.515 1.267 -9.768 1.00 0.00 C ATOM 817 CE1 TYR A 53 13.285 2.659 -11.364 1.00 0.00 C ATOM 818 CE2 TYR A 53 12.686 0.664 -10.188 1.00 0.00 C ATOM 819 CZ TYR A 53 13.567 1.364 -10.985 1.00 0.00 C ATOM 820 OH TYR A 53 14.738 0.768 -11.404 1.00 0.00 O ATOM 0 H TYR A 53 10.371 2.347 -7.327 1.00 0.00 H new ATOM 0 HA TYR A 53 10.841 4.911 -8.670 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.190 2.475 -9.440 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.529 3.853 -10.469 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.900 4.273 -11.234 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.826 0.715 -9.145 1.00 0.00 H new ATOM 0 HE1 TYR A 53 13.976 3.203 -11.991 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.910 -0.351 -9.893 1.00 0.00 H new ATOM 0 HH TYR A 53 14.786 -0.144 -11.049 1.00 0.00 H new ATOM 830 N CYS A 54 8.898 5.535 -6.901 1.00 0.00 N ATOM 831 CA CYS A 54 7.752 6.279 -6.370 1.00 0.00 C ATOM 832 C CYS A 54 8.218 7.438 -5.500 1.00 0.00 C ATOM 833 O CYS A 54 7.807 8.580 -5.707 1.00 0.00 O ATOM 834 CB CYS A 54 6.840 5.386 -5.519 1.00 0.00 C ATOM 835 SG CYS A 54 5.666 4.372 -6.445 1.00 0.00 S ATOM 0 H CYS A 54 9.753 5.656 -6.359 1.00 0.00 H new ATOM 0 HA CYS A 54 7.196 6.649 -7.231 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.465 4.728 -4.915 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.282 6.018 -4.828 1.00 0.00 H new ATOM 0 HG CYS A 54 5.841 3.120 -6.142 1.00 0.00 H new ATOM 840 N SER A 55 9.091 7.122 -4.540 1.00 0.00 N ATOM 841 CA SER A 55 9.453 8.049 -3.473 1.00 0.00 C ATOM 842 C SER A 55 8.216 8.301 -2.610 1.00 0.00 C ATOM 843 O SER A 55 7.425 9.207 -2.868 1.00 0.00 O ATOM 844 CB SER A 55 10.029 9.357 -4.034 1.00 0.00 C ATOM 845 OG SER A 55 10.593 10.156 -3.009 1.00 0.00 O ATOM 0 H SER A 55 9.563 6.220 -4.483 1.00 0.00 H new ATOM 0 HA SER A 55 10.239 7.609 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.790 9.130 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.242 9.915 -4.541 1.00 0.00 H new ATOM 0 HG SER A 55 10.807 11.043 -3.366 1.00 0.00 H new ATOM 851 N THR A 56 8.056 7.459 -1.596 1.00 0.00 N ATOM 852 CA THR A 56 6.831 7.336 -0.839 1.00 0.00 C ATOM 853 C THR A 56 7.164 6.483 0.376 1.00 0.00 C ATOM 854 O THR A 56 6.587 5.421 0.581 1.00 0.00 O ATOM 855 CB THR A 56 5.714 6.644 -1.667 1.00 0.00 C ATOM 856 OG1 THR A 56 5.620 7.217 -2.978 1.00 0.00 O ATOM 857 CG2 THR A 56 4.365 6.766 -0.981 1.00 0.00 C ATOM 0 H THR A 56 8.794 6.832 -1.276 1.00 0.00 H new ATOM 0 HA THR A 56 6.459 8.323 -0.562 1.00 0.00 H new ATOM 0 HB THR A 56 5.981 5.590 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.923 8.149 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.604 6.272 -1.585 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.412 6.294 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.109 7.819 -0.866 1.00 0.00 H new ATOM 865 N LEU A 57 8.155 6.944 1.134 1.00 0.00 N ATOM 866 CA LEU A 57 8.747 6.168 2.221 1.00 0.00 C ATOM 867 C LEU A 57 7.684 5.623 3.161 1.00 0.00 C ATOM 868 O LEU A 57 7.101 6.368 3.945 1.00 0.00 O ATOM 869 CB LEU A 57 9.745 7.032 2.999 1.00 0.00 C ATOM 870 CG LEU A 57 10.476 6.324 4.143 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.297 5.156 3.618 1.00 0.00 C ATOM 872 CD2 LEU A 57 11.368 7.307 4.885 1.00 0.00 C ATOM 0 H LEU A 57 8.571 7.867 1.012 1.00 0.00 H new ATOM 0 HA LEU A 57 9.270 5.319 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.487 7.418 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.214 7.892 3.407 1.00 0.00 H new ATOM 0 HG LEU A 57 9.732 5.933 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.808 4.668 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.638 4.440 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.034 5.522 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.882 6.791 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.103 7.723 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.759 8.112 5.296 1.00 0.00 H new ATOM 884 N TYR A 58 7.442 4.320 3.068 1.00 0.00 N ATOM 885 CA TYR A 58 6.413 3.670 3.858 1.00 0.00 C ATOM 886 C TYR A 58 6.932 3.380 5.252 1.00 0.00 C ATOM 887 O TYR A 58 7.896 2.633 5.434 1.00 0.00 O ATOM 888 CB TYR A 58 5.935 2.387 3.168 1.00 0.00 C ATOM 889 CG TYR A 58 5.363 2.637 1.790 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.081 3.150 1.631 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.112 2.385 0.647 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.560 3.402 0.375 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.600 2.640 -0.613 1.00 0.00 C ATOM 894 CZ TYR A 58 4.324 3.146 -0.744 1.00 0.00 C ATOM 895 OH TYR A 58 3.814 3.411 -1.997 1.00 0.00 O ATOM 0 H TYR A 58 7.952 3.692 2.446 1.00 0.00 H new ATOM 0 HA TYR A 58 5.558 4.341 3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.770 1.691 3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.178 1.907 3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.480 3.356 2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.110 1.984 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.560 3.797 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.198 2.443 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 58 3.849 2.598 -2.543 1.00 0.00 H new ATOM 905 N ARG A 59 6.300 4.002 6.225 1.00 0.00 N ATOM 906 CA ARG A 59 6.741 3.918 7.604 1.00 0.00 C ATOM 907 C ARG A 59 5.706 3.192 8.459 1.00 0.00 C ATOM 908 O ARG A 59 4.578 3.660 8.613 1.00 0.00 O ATOM 909 CB ARG A 59 6.990 5.338 8.118 1.00 0.00 C ATOM 910 CG ARG A 59 7.485 5.433 9.549 1.00 0.00 C ATOM 911 CD ARG A 59 7.913 6.859 9.854 1.00 0.00 C ATOM 912 NE ARG A 59 8.197 7.080 11.267 1.00 0.00 N ATOM 913 CZ ARG A 59 9.313 7.656 11.717 1.00 0.00 C ATOM 914 NH1 ARG A 59 10.306 7.930 10.879 1.00 0.00 N ATOM 915 NH2 ARG A 59 9.444 7.935 13.007 1.00 0.00 N ATOM 0 H ARG A 59 5.470 4.578 6.085 1.00 0.00 H new ATOM 0 HA ARG A 59 7.665 3.343 7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.719 5.820 7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.063 5.905 8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.697 5.125 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.323 4.752 9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.801 7.099 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.127 7.544 9.536 1.00 0.00 H new ATOM 0 HE ARG A 59 7.503 6.777 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.216 7.700 9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.158 8.370 11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.691 7.709 13.657 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.298 8.375 13.349 1.00 0.00 H new ATOM 929 N TYR A 60 6.088 2.031 8.978 1.00 0.00 N ATOM 930 CA TYR A 60 5.221 1.258 9.854 1.00 0.00 C ATOM 931 C TYR A 60 5.722 1.339 11.291 1.00 0.00 C ATOM 932 O TYR A 60 6.761 0.774 11.636 1.00 0.00 O ATOM 933 CB TYR A 60 5.155 -0.201 9.388 1.00 0.00 C ATOM 934 CG TYR A 60 4.305 -1.105 10.261 1.00 0.00 C ATOM 935 CD1 TYR A 60 2.932 -0.919 10.365 1.00 0.00 C ATOM 936 CD2 TYR A 60 4.880 -2.152 10.973 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.156 -1.749 11.156 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.110 -2.986 11.764 1.00 0.00 C ATOM 939 CZ TYR A 60 2.748 -2.782 11.851 1.00 0.00 C ATOM 940 OH TYR A 60 1.977 -3.615 12.638 1.00 0.00 O ATOM 0 H TYR A 60 6.998 1.604 8.805 1.00 0.00 H new ATOM 0 HA TYR A 60 4.216 1.677 9.812 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.763 -0.227 8.371 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.168 -0.603 9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.462 -0.114 9.820 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.945 -2.317 10.907 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.091 -1.588 11.228 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.573 -3.794 12.311 1.00 0.00 H new ATOM 0 HH TYR A 60 2.549 -4.291 13.058 1.00 0.00 H new ATOM 950 N ASP A 61 4.991 2.067 12.118 1.00 0.00 N ATOM 951 CA ASP A 61 5.343 2.226 13.523 1.00 0.00 C ATOM 952 C ASP A 61 4.134 1.918 14.395 1.00 0.00 C ATOM 953 O ASP A 61 3.017 2.304 14.057 1.00 0.00 O ATOM 954 CB ASP A 61 5.849 3.652 13.786 1.00 0.00 C ATOM 955 CG ASP A 61 6.114 3.923 15.255 1.00 0.00 C ATOM 956 OD1 ASP A 61 7.220 3.611 15.739 1.00 0.00 O ATOM 957 OD2 ASP A 61 5.213 4.457 15.935 1.00 0.00 O ATOM 0 H ASP A 61 4.143 2.562 11.840 1.00 0.00 H new ATOM 0 HA ASP A 61 6.142 1.528 13.772 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.766 3.817 13.220 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.114 4.367 13.417 1.00 0.00 H new ATOM 962 N PRO A 62 4.343 1.209 15.521 1.00 0.00 N ATOM 963 CA PRO A 62 3.260 0.774 16.427 1.00 0.00 C ATOM 964 C PRO A 62 2.317 1.896 16.884 1.00 0.00 C ATOM 965 O PRO A 62 1.206 1.621 17.340 1.00 0.00 O ATOM 966 CB PRO A 62 4.016 0.203 17.627 1.00 0.00 C ATOM 967 CG PRO A 62 5.320 -0.245 17.071 1.00 0.00 C ATOM 968 CD PRO A 62 5.662 0.737 15.989 1.00 0.00 C ATOM 0 HA PRO A 62 2.599 0.071 15.921 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.154 0.956 18.403 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.472 -0.626 18.080 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.090 -0.260 17.843 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.248 -1.257 16.672 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.270 1.558 16.370 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.228 0.267 15.185 1.00 0.00 H new ATOM 976 N SER A 63 2.745 3.149 16.770 1.00 0.00 N ATOM 977 CA SER A 63 1.901 4.272 17.167 1.00 0.00 C ATOM 978 C SER A 63 0.796 4.508 16.139 1.00 0.00 C ATOM 979 O SER A 63 -0.244 5.094 16.449 1.00 0.00 O ATOM 980 CB SER A 63 2.744 5.534 17.329 1.00 0.00 C ATOM 981 OG SER A 63 3.906 5.268 18.098 1.00 0.00 O ATOM 0 H SER A 63 3.662 3.412 16.410 1.00 0.00 H new ATOM 0 HA SER A 63 1.437 4.030 18.123 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.030 5.914 16.348 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.153 6.312 17.812 1.00 0.00 H new ATOM 0 HG SER A 63 4.587 4.852 17.529 1.00 0.00 H new ATOM 987 N LEU A 64 1.029 4.045 14.918 1.00 0.00 N ATOM 988 CA LEU A 64 0.046 4.164 13.854 1.00 0.00 C ATOM 989 C LEU A 64 -0.993 3.064 13.989 1.00 0.00 C ATOM 990 O LEU A 64 -0.650 1.898 14.188 1.00 0.00 O ATOM 991 CB LEU A 64 0.721 4.072 12.483 1.00 0.00 C ATOM 992 CG LEU A 64 1.707 5.195 12.157 1.00 0.00 C ATOM 993 CD1 LEU A 64 2.523 4.840 10.928 1.00 0.00 C ATOM 994 CD2 LEU A 64 0.966 6.507 11.931 1.00 0.00 C ATOM 0 H LEU A 64 1.895 3.582 14.641 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.440 5.136 13.938 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.248 3.120 12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.054 4.059 11.716 1.00 0.00 H new ATOM 0 HG LEU A 64 2.382 5.317 13.004 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.220 5.648 10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.079 3.921 11.114 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.856 4.695 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.683 7.295 11.700 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.271 6.394 11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.413 6.772 12.832 1.00 0.00 H new ATOM 1006 N SER A 65 -2.257 3.435 13.914 1.00 0.00 N ATOM 1007 CA SER A 65 -3.331 2.463 13.987 1.00 0.00 C ATOM 1008 C SER A 65 -3.565 1.863 12.604 1.00 0.00 C ATOM 1009 O SER A 65 -3.214 2.474 11.596 1.00 0.00 O ATOM 1010 CB SER A 65 -4.605 3.128 14.515 1.00 0.00 C ATOM 1011 OG SER A 65 -5.558 2.160 14.918 1.00 0.00 O ATOM 0 H SER A 65 -2.565 4.401 13.803 1.00 0.00 H new ATOM 0 HA SER A 65 -3.056 1.664 14.675 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.359 3.773 15.358 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.034 3.764 13.741 1.00 0.00 H new ATOM 0 HG SER A 65 -6.361 2.611 15.253 1.00 0.00 H new ATOM 1017 N TYR A 66 -4.155 0.675 12.558 1.00 0.00 N ATOM 1018 CA TYR A 66 -4.391 -0.012 11.292 1.00 0.00 C ATOM 1019 C TYR A 66 -5.442 0.719 10.465 1.00 0.00 C ATOM 1020 O TYR A 66 -5.406 0.696 9.237 1.00 0.00 O ATOM 1021 CB TYR A 66 -4.807 -1.466 11.542 1.00 0.00 C ATOM 1022 CG TYR A 66 -3.685 -2.316 12.098 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -2.786 -2.944 11.249 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -3.517 -2.478 13.469 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -1.751 -3.712 11.746 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -2.480 -3.242 13.974 1.00 0.00 C ATOM 1027 CZ TYR A 66 -1.601 -3.857 13.107 1.00 0.00 C ATOM 1028 OH TYR A 66 -0.560 -4.612 13.603 1.00 0.00 O ATOM 0 H TYR A 66 -4.479 0.167 13.381 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.461 -0.014 10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.647 -1.483 12.237 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.158 -1.903 10.607 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.897 -2.831 10.181 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.206 -2.000 14.150 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.062 -4.197 11.070 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.359 -3.356 15.041 1.00 0.00 H new ATOM 0 HH TYR A 66 0.290 -4.260 13.265 1.00 0.00 H new ATOM 1038 N ASN A 67 -6.363 1.384 11.150 1.00 0.00 N ATOM 1039 CA ASN A 67 -7.374 2.203 10.487 1.00 0.00 C ATOM 1040 C ASN A 67 -6.834 3.601 10.205 1.00 0.00 C ATOM 1041 O ASN A 67 -7.563 4.484 9.752 1.00 0.00 O ATOM 1042 CB ASN A 67 -8.637 2.306 11.344 1.00 0.00 C ATOM 1043 CG ASN A 67 -9.361 0.982 11.496 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -9.344 0.137 10.600 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -10.023 0.800 12.628 1.00 0.00 N ATOM 0 H ASN A 67 -6.432 1.373 12.168 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.626 1.721 9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.370 2.683 12.331 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.314 3.034 10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.543 -0.064 12.781 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.013 1.524 13.347 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.550 3.797 10.473 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.909 5.088 10.279 1.00 0.00 C ATOM 1054 C GLN A 68 -3.792 4.993 9.247 1.00 0.00 C ATOM 1055 O GLN A 68 -3.323 3.904 8.919 1.00 0.00 O ATOM 1056 CB GLN A 68 -4.354 5.618 11.604 1.00 0.00 C ATOM 1057 CG GLN A 68 -5.389 6.342 12.450 1.00 0.00 C ATOM 1058 CD GLN A 68 -5.852 7.633 11.800 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -5.094 8.278 11.070 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -7.090 8.024 12.061 1.00 0.00 N ATOM 0 H GLN A 68 -4.928 3.071 10.828 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.663 5.783 9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.947 4.785 12.177 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.527 6.297 11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.247 5.689 12.611 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.967 6.561 13.431 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.685 7.462 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.449 8.887 11.653 1.00 0.00 H new ATOM 1069 N THR A 69 -3.376 6.141 8.738 1.00 0.00 N ATOM 1070 CA THR A 69 -2.320 6.196 7.746 1.00 0.00 C ATOM 1071 C THR A 69 -1.732 7.612 7.693 1.00 0.00 C ATOM 1072 O THR A 69 -1.628 8.280 8.724 1.00 0.00 O ATOM 1073 CB THR A 69 -2.850 5.747 6.356 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.782 5.699 5.394 1.00 0.00 O ATOM 1075 CG2 THR A 69 -3.960 6.666 5.854 1.00 0.00 C ATOM 0 H THR A 69 -3.757 7.051 8.998 1.00 0.00 H new ATOM 0 HA THR A 69 -1.525 5.506 8.030 1.00 0.00 H new ATOM 0 HB THR A 69 -3.266 4.747 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.920 5.720 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.305 6.321 4.880 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.791 6.652 6.559 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.578 7.683 5.764 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.370 8.066 6.503 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.717 9.349 6.329 1.00 0.00 C ATOM 1085 C ASN A 70 -1.725 10.395 5.865 1.00 0.00 C ATOM 1086 O ASN A 70 -2.608 10.099 5.058 1.00 0.00 O ATOM 1087 CB ASN A 70 0.416 9.198 5.310 1.00 0.00 C ATOM 1088 CG ASN A 70 1.189 10.481 5.065 1.00 0.00 C ATOM 1089 OD1 ASN A 70 2.144 10.786 5.780 1.00 0.00 O ATOM 1090 ND2 ASN A 70 0.788 11.235 4.052 1.00 0.00 N ATOM 0 H ASN A 70 -1.521 7.555 5.634 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.301 9.682 7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.106 8.429 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.001 8.849 4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.276 12.105 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.008 10.945 3.484 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.613 11.622 6.398 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.531 12.722 6.081 1.00 0.00 C ATOM 1099 C PRO A 71 -2.673 12.958 4.580 1.00 0.00 C ATOM 1100 O PRO A 71 -1.677 13.112 3.873 1.00 0.00 O ATOM 1101 CB PRO A 71 -1.877 13.933 6.749 1.00 0.00 C ATOM 1102 CG PRO A 71 -1.062 13.364 7.856 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.577 12.029 7.363 1.00 0.00 C ATOM 0 HA PRO A 71 -3.543 12.515 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.256 14.486 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.626 14.629 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.225 14.018 8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.657 13.254 8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.403 12.107 6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.482 11.311 8.177 1.00 0.00 H new ATOM 1111 N THR A 72 -3.925 12.989 4.118 1.00 0.00 N ATOM 1112 CA THR A 72 -4.261 13.205 2.708 1.00 0.00 C ATOM 1113 C THR A 72 -3.497 12.257 1.780 1.00 0.00 C ATOM 1114 O THR A 72 -2.474 12.619 1.199 1.00 0.00 O ATOM 1115 CB THR A 72 -4.052 14.677 2.264 1.00 0.00 C ATOM 1116 OG1 THR A 72 -2.735 15.138 2.599 1.00 0.00 O ATOM 1117 CG2 THR A 72 -5.087 15.587 2.912 1.00 0.00 C ATOM 0 H THR A 72 -4.741 12.864 4.717 1.00 0.00 H new ATOM 0 HA THR A 72 -5.324 12.981 2.622 1.00 0.00 H new ATOM 0 HB THR A 72 -4.171 14.711 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.142 14.369 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.922 16.614 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.087 15.269 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.994 15.530 3.996 1.00 0.00 H new ATOM 1125 N GLY A 73 -4.000 11.036 1.664 1.00 0.00 N ATOM 1126 CA GLY A 73 -3.372 10.050 0.813 1.00 0.00 C ATOM 1127 C GLY A 73 -4.095 8.718 0.848 1.00 0.00 C ATOM 1128 O GLY A 73 -5.189 8.621 1.411 1.00 0.00 O ATOM 0 H GLY A 73 -4.837 10.711 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.347 10.421 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.338 9.908 1.126 1.00 0.00 H new ATOM 1132 N CYS A 74 -3.468 7.703 0.246 1.00 0.00 N ATOM 1133 CA CYS A 74 -4.002 6.336 0.152 1.00 0.00 C ATOM 1134 C CYS A 74 -5.437 6.325 -0.387 1.00 0.00 C ATOM 1135 O CYS A 74 -5.858 7.269 -1.054 1.00 0.00 O ATOM 1136 CB CYS A 74 -3.918 5.613 1.509 1.00 0.00 C ATOM 1137 SG CYS A 74 -5.140 6.133 2.735 1.00 0.00 S ATOM 0 H CYS A 74 -2.556 7.808 -0.199 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.380 5.793 -0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.030 4.542 1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.922 5.768 1.924 1.00 0.00 H new ATOM 0 HG CYS A 74 -5.387 7.401 2.590 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.148 5.219 -0.138 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.573 5.103 -0.458 1.00 0.00 C ATOM 1145 C LEU A 75 -7.806 5.068 -1.970 1.00 0.00 C ATOM 1146 O LEU A 75 -8.007 6.104 -2.598 1.00 0.00 O ATOM 1147 CB LEU A 75 -8.335 6.282 0.162 1.00 0.00 C ATOM 1148 CG LEU A 75 -9.807 6.054 0.524 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -10.451 7.385 0.855 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -10.573 5.360 -0.594 1.00 0.00 C ATOM 0 H LEU A 75 -5.752 4.382 0.290 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.941 4.165 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.808 6.586 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.284 7.120 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.844 5.395 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.498 7.228 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.933 7.840 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.385 8.046 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.611 5.220 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.537 5.973 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.120 4.390 -0.797 1.00 0.00 H new ATOM 1162 N TYR A 76 -7.794 3.878 -2.552 1.00 0.00 N ATOM 1163 CA TYR A 76 -8.048 3.742 -3.979 1.00 0.00 C ATOM 1164 C TYR A 76 -9.547 3.768 -4.249 1.00 0.00 C ATOM 1165 O TYR A 76 -10.312 3.034 -3.623 1.00 0.00 O ATOM 1166 CB TYR A 76 -7.436 2.448 -4.524 1.00 0.00 C ATOM 1167 CG TYR A 76 -7.743 2.202 -5.988 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -7.144 2.964 -6.983 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -8.641 1.213 -6.370 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -7.430 2.747 -8.317 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -8.932 0.991 -7.703 1.00 0.00 C ATOM 1172 CZ TYR A 76 -8.324 1.762 -8.673 1.00 0.00 C ATOM 1173 OH TYR A 76 -8.617 1.549 -10.002 1.00 0.00 O ATOM 0 H TYR A 76 -7.613 3.001 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.579 4.582 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.355 2.482 -4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.804 1.606 -3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.443 3.739 -6.709 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.119 0.608 -5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.954 3.348 -9.078 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.632 0.218 -7.984 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.265 0.818 -10.081 1.00 0.00 H new ATOM 1183 N ASN A 77 -9.961 4.628 -5.169 1.00 0.00 N ATOM 1184 CA ASN A 77 -11.365 4.730 -5.543 1.00 0.00 C ATOM 1185 C ASN A 77 -11.644 3.878 -6.775 1.00 0.00 C ATOM 1186 O ASN A 77 -11.153 4.173 -7.866 1.00 0.00 O ATOM 1187 CB ASN A 77 -11.752 6.187 -5.822 1.00 0.00 C ATOM 1188 CG ASN A 77 -11.697 7.073 -4.589 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -11.389 8.265 -4.681 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -12.014 6.516 -3.431 1.00 0.00 N ATOM 0 H ASN A 77 -9.344 5.266 -5.671 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.965 4.365 -4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.085 6.593 -6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.760 6.215 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.009 7.075 -2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.264 5.528 -3.392 1.00 0.00 H new